smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC000981957206 751340437 /nfs/dbraw/zinc/34/04/37/751340437.db2.gz GDAKMBHMPAZVGL-IAGOWNOFSA-N 2 2 348.491 0.649 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC000981957206 751340444 /nfs/dbraw/zinc/34/04/44/751340444.db2.gz GDAKMBHMPAZVGL-IAGOWNOFSA-N 2 2 348.491 0.649 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1=O ZINC000981957206 751340450 /nfs/dbraw/zinc/34/04/50/751340450.db2.gz GDAKMBHMPAZVGL-IAGOWNOFSA-N 2 2 348.491 0.649 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1=O ZINC000981957206 751340456 /nfs/dbraw/zinc/34/04/56/751340456.db2.gz GDAKMBHMPAZVGL-IAGOWNOFSA-N 2 2 348.491 0.649 20 30 ECEDLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000969439530 731887170 /nfs/dbraw/zinc/88/71/70/731887170.db2.gz BJOQMRSFHCJAAY-KBXCAEBGSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000969439530 731887175 /nfs/dbraw/zinc/88/71/75/731887175.db2.gz BJOQMRSFHCJAAY-KBXCAEBGSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@H](CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1)n1cc[nH+]c1 ZINC001167348727 733964520 /nfs/dbraw/zinc/96/45/20/733964520.db2.gz SBCHRVRFWWHQKP-CQSZACIVSA-N 2 2 346.435 0.350 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cncn2C)C1 ZINC000971704632 734965869 /nfs/dbraw/zinc/96/58/69/734965869.db2.gz VRORKEOWUCVASV-RDJZCZTQSA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cncn2C)C1 ZINC000971704632 734965871 /nfs/dbraw/zinc/96/58/71/734965871.db2.gz VRORKEOWUCVASV-RDJZCZTQSA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cncn2C)C1 ZINC000971704632 734965874 /nfs/dbraw/zinc/96/58/74/734965874.db2.gz VRORKEOWUCVASV-RDJZCZTQSA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cncn2C)C1 ZINC000971704632 734965875 /nfs/dbraw/zinc/96/58/75/734965875.db2.gz VRORKEOWUCVASV-RDJZCZTQSA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001023424375 736813184 /nfs/dbraw/zinc/81/31/84/736813184.db2.gz WJSYYGYMXCWZEF-RDJZCZTQSA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001023424375 736813187 /nfs/dbraw/zinc/81/31/87/736813187.db2.gz WJSYYGYMXCWZEF-RDJZCZTQSA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2cnnn2C)C1 ZINC001023424375 736813189 /nfs/dbraw/zinc/81/31/89/736813189.db2.gz WJSYYGYMXCWZEF-RDJZCZTQSA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2cnnn2C)C1 ZINC001023424375 736813190 /nfs/dbraw/zinc/81/31/90/736813190.db2.gz WJSYYGYMXCWZEF-RDJZCZTQSA-N 2 2 344.463 0.241 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104839600 740662913 /nfs/dbraw/zinc/66/29/13/740662913.db2.gz HZDVDMUNYGQMON-RBSFLKMASA-N 2 2 347.463 0.717 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(CO)cc1 ZINC001038369938 741343678 /nfs/dbraw/zinc/34/36/78/741343678.db2.gz YBFOEUKEXKWPLG-OALUTQOASA-N 2 2 341.455 0.967 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(CO)cc1 ZINC001038369938 741343681 /nfs/dbraw/zinc/34/36/81/741343681.db2.gz YBFOEUKEXKWPLG-OALUTQOASA-N 2 2 341.455 0.967 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(CO)cc1 ZINC001038369938 741343686 /nfs/dbraw/zinc/34/36/86/741343686.db2.gz YBFOEUKEXKWPLG-OALUTQOASA-N 2 2 341.455 0.967 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1ccc(CO)cc1 ZINC001038369938 741343690 /nfs/dbraw/zinc/34/36/90/741343690.db2.gz YBFOEUKEXKWPLG-OALUTQOASA-N 2 2 341.455 0.967 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)nn1 ZINC001105259529 741581053 /nfs/dbraw/zinc/58/10/53/741581053.db2.gz CAEOYOIKYIGQKF-HNNXBMFYSA-N 2 2 341.419 0.711 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001105264626 741595862 /nfs/dbraw/zinc/59/58/62/741595862.db2.gz NZTLAJNPQVAFTP-OAHLLOKOSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105264626 741595865 /nfs/dbraw/zinc/59/58/65/741595865.db2.gz NZTLAJNPQVAFTP-OAHLLOKOSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)nn1 ZINC001105297413 741674794 /nfs/dbraw/zinc/67/47/94/741674794.db2.gz NDGZVPFWJYXTSE-UHFFFAOYSA-N 2 2 330.436 0.259 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261951070 743090377 /nfs/dbraw/zinc/09/03/77/743090377.db2.gz HJVAZEYBEAZMEI-IUODEOHRSA-N 3 2 333.484 0.634 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261951070 743090385 /nfs/dbraw/zinc/09/03/85/743090385.db2.gz HJVAZEYBEAZMEI-IUODEOHRSA-N 3 2 333.484 0.634 20 30 ECEDLP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998814129 744356998 /nfs/dbraw/zinc/35/69/98/744356998.db2.gz XWRSURVGVJITFZ-OLZOCXBDSA-N 2 2 346.269 0.806 20 30 ECEDLP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998814129 744356999 /nfs/dbraw/zinc/35/69/99/744356999.db2.gz XWRSURVGVJITFZ-OLZOCXBDSA-N 2 2 346.269 0.806 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(CC)n2)C1 ZINC000998921932 744407234 /nfs/dbraw/zinc/40/72/34/744407234.db2.gz BBAPLKJILSECSS-PREGVCBESA-N 2 2 344.463 0.475 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(CC)n2)C1 ZINC000998921932 744407237 /nfs/dbraw/zinc/40/72/37/744407237.db2.gz BBAPLKJILSECSS-PREGVCBESA-N 2 2 344.463 0.475 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC001027446271 744484307 /nfs/dbraw/zinc/48/43/07/744484307.db2.gz DVDSGQMRFUEEPC-IRXDYDNUSA-N 2 2 346.475 0.239 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC001027446271 744484311 /nfs/dbraw/zinc/48/43/11/744484311.db2.gz DVDSGQMRFUEEPC-IRXDYDNUSA-N 2 2 346.475 0.239 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC(=O)N2CCC2)C1 ZINC001027446271 744484314 /nfs/dbraw/zinc/48/43/14/744484314.db2.gz DVDSGQMRFUEEPC-IRXDYDNUSA-N 2 2 346.475 0.239 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC(=O)N2CCC2)C1 ZINC001027446271 744484318 /nfs/dbraw/zinc/48/43/18/744484318.db2.gz DVDSGQMRFUEEPC-IRXDYDNUSA-N 2 2 346.475 0.239 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001167901345 751922998 /nfs/dbraw/zinc/92/29/98/751922998.db2.gz SXAJSCJPEVOINF-CQSZACIVSA-N 2 2 347.463 0.827 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001000691597 745703882 /nfs/dbraw/zinc/70/38/82/745703882.db2.gz ABJOFSNNIJDBKD-GDBMZVCRSA-N 2 2 345.447 0.330 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCOC1 ZINC001029342247 745758068 /nfs/dbraw/zinc/75/80/68/745758068.db2.gz FCTKBJHGAFDIRE-BDXSIMOUSA-N 2 2 331.460 0.796 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCOC1 ZINC001029342247 745758074 /nfs/dbraw/zinc/75/80/74/745758074.db2.gz FCTKBJHGAFDIRE-BDXSIMOUSA-N 2 2 331.460 0.796 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCOC1 ZINC001029342247 745758080 /nfs/dbraw/zinc/75/80/80/745758080.db2.gz FCTKBJHGAFDIRE-BDXSIMOUSA-N 2 2 331.460 0.796 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCOC1 ZINC001029342247 745758082 /nfs/dbraw/zinc/75/80/82/745758082.db2.gz FCTKBJHGAFDIRE-BDXSIMOUSA-N 2 2 331.460 0.796 20 30 ECEDLP C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001088239931 747934698 /nfs/dbraw/zinc/93/46/98/747934698.db2.gz LAGMIWFTWXXMSZ-INIZCTEOSA-N 2 2 330.432 0.915 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001088239931 747934702 /nfs/dbraw/zinc/93/47/02/747934702.db2.gz LAGMIWFTWXXMSZ-INIZCTEOSA-N 2 2 330.432 0.915 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCN(CC)C2=O)CC1 ZINC001003055734 748124391 /nfs/dbraw/zinc/12/43/91/748124391.db2.gz KDDANNGOAZTBAI-IRXDYDNUSA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCN(CC)C2=O)CC1 ZINC001003055734 748124395 /nfs/dbraw/zinc/12/43/95/748124395.db2.gz KDDANNGOAZTBAI-IRXDYDNUSA-N 2 2 346.475 0.285 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1=O ZINC000985675343 748850207 /nfs/dbraw/zinc/85/02/07/748850207.db2.gz QYIHHXFQEZYJPD-INIZCTEOSA-N 2 2 345.447 0.662 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1=O ZINC000985675343 748850211 /nfs/dbraw/zinc/85/02/11/748850211.db2.gz QYIHHXFQEZYJPD-INIZCTEOSA-N 2 2 345.447 0.662 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001029914103 749586521 /nfs/dbraw/zinc/58/65/21/749586521.db2.gz QWPALEQHKCSBNJ-CVEARBPZSA-N 2 2 345.447 0.450 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710542 754787363 /nfs/dbraw/zinc/78/73/63/754787363.db2.gz WOIFUNRNVVXGMC-BBWFWOEESA-N 2 2 337.464 0.490 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710542 754787365 /nfs/dbraw/zinc/78/73/65/754787365.db2.gz WOIFUNRNVVXGMC-BBWFWOEESA-N 2 2 337.464 0.490 20 30 ECEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028711433 754792927 /nfs/dbraw/zinc/79/29/27/754792927.db2.gz AWDAREPEWYRABJ-QZTJIDSGSA-N 2 2 333.476 0.949 20 30 ECEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028711433 754792932 /nfs/dbraw/zinc/79/29/32/754792932.db2.gz AWDAREPEWYRABJ-QZTJIDSGSA-N 2 2 333.476 0.949 20 30 ECEDLP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001028711433 754792938 /nfs/dbraw/zinc/79/29/38/754792938.db2.gz AWDAREPEWYRABJ-QZTJIDSGSA-N 2 2 333.476 0.949 20 30 ECEDLP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001028711433 754792940 /nfs/dbraw/zinc/79/29/40/754792940.db2.gz AWDAREPEWYRABJ-QZTJIDSGSA-N 2 2 333.476 0.949 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1=O ZINC001127785030 758776430 /nfs/dbraw/zinc/77/64/30/758776430.db2.gz FARHQIMRSUHQMQ-HNNXBMFYSA-N 2 2 345.447 0.255 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=O)N(C)C ZINC001049528071 758865886 /nfs/dbraw/zinc/86/58/86/758865886.db2.gz BQYWBMHBXMCVQQ-ULQDDVLXSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001049528071 758865893 /nfs/dbraw/zinc/86/58/93/758865893.db2.gz BQYWBMHBXMCVQQ-ULQDDVLXSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(=O)N(C)C ZINC001049528071 758865902 /nfs/dbraw/zinc/86/59/02/758865902.db2.gz BQYWBMHBXMCVQQ-ULQDDVLXSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(=O)N(C)C ZINC001049528071 758865911 /nfs/dbraw/zinc/86/59/11/758865911.db2.gz BQYWBMHBXMCVQQ-ULQDDVLXSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000995927344 760790770 /nfs/dbraw/zinc/79/07/70/760790770.db2.gz XLHWPYPEZSUNBC-GJZGRUSLSA-N 2 2 344.463 0.239 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000995927344 760790771 /nfs/dbraw/zinc/79/07/71/760790771.db2.gz XLHWPYPEZSUNBC-GJZGRUSLSA-N 2 2 344.463 0.239 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001051249461 761762069 /nfs/dbraw/zinc/76/20/69/761762069.db2.gz FVTCRNQMXFLBBI-CVEARBPZSA-N 2 2 325.453 0.490 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001051249461 761762072 /nfs/dbraw/zinc/76/20/72/761762072.db2.gz FVTCRNQMXFLBBI-CVEARBPZSA-N 2 2 325.453 0.490 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001051249461 761762077 /nfs/dbraw/zinc/76/20/77/761762077.db2.gz FVTCRNQMXFLBBI-CVEARBPZSA-N 2 2 325.453 0.490 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001051249461 761762079 /nfs/dbraw/zinc/76/20/79/761762079.db2.gz FVTCRNQMXFLBBI-CVEARBPZSA-N 2 2 325.453 0.490 20 30 ECEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001014924704 763466172 /nfs/dbraw/zinc/46/61/72/763466172.db2.gz NNYGSKHMJAHDJD-ZTFGCOKTSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001014924704 763466177 /nfs/dbraw/zinc/46/61/77/763466177.db2.gz NNYGSKHMJAHDJD-ZTFGCOKTSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001014924704 763466182 /nfs/dbraw/zinc/46/61/82/763466182.db2.gz NNYGSKHMJAHDJD-ZTFGCOKTSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001014924704 763466185 /nfs/dbraw/zinc/46/61/85/763466185.db2.gz NNYGSKHMJAHDJD-ZTFGCOKTSA-N 2 2 342.443 0.968 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052026776 763619589 /nfs/dbraw/zinc/61/95/89/763619589.db2.gz SYKVGVWEKMEHKG-IRXDYDNUSA-N 2 2 333.480 0.601 20 30 ECEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052026776 763619599 /nfs/dbraw/zinc/61/95/99/763619599.db2.gz SYKVGVWEKMEHKG-IRXDYDNUSA-N 2 2 333.480 0.601 20 30 ECEDLP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001052059262 763736415 /nfs/dbraw/zinc/73/64/15/763736415.db2.gz FRWQSWALPOYHAD-QGZVFWFLSA-N 2 2 329.448 0.515 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)nn1 ZINC001098758147 763755136 /nfs/dbraw/zinc/75/51/36/763755136.db2.gz WJGDOOPZDZFYEH-KRWDZBQOSA-N 2 2 344.463 0.506 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC2CC(C)C2)C[C@@H]1O ZINC001047415436 764275614 /nfs/dbraw/zinc/27/56/14/764275614.db2.gz XXYGDHPXEQPCGB-CNFALQKSSA-N 2 2 333.476 0.634 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CC(C)C2)C[C@@H]1O ZINC001047415436 764275616 /nfs/dbraw/zinc/27/56/16/764275616.db2.gz XXYGDHPXEQPCGB-CNFALQKSSA-N 2 2 333.476 0.634 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC2CC(C)C2)C[C@@H]1O ZINC001047415436 764275620 /nfs/dbraw/zinc/27/56/20/764275620.db2.gz XXYGDHPXEQPCGB-CNFALQKSSA-N 2 2 333.476 0.634 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC2CC(C)C2)C[C@@H]1O ZINC001047415436 764275624 /nfs/dbraw/zinc/27/56/24/764275624.db2.gz XXYGDHPXEQPCGB-CNFALQKSSA-N 2 2 333.476 0.634 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098766840 764572082 /nfs/dbraw/zinc/57/20/82/764572082.db2.gz HGZVBEPZUUCJBC-GOEBONIOSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766840 764572092 /nfs/dbraw/zinc/57/20/92/764572092.db2.gz HGZVBEPZUUCJBC-GOEBONIOSA-N 2 2 330.436 0.116 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047581057 764765401 /nfs/dbraw/zinc/76/54/01/764765401.db2.gz HTRULTNYQCBRDE-IRXDYDNUSA-N 2 2 341.415 0.961 20 30 ECEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047581057 764765408 /nfs/dbraw/zinc/76/54/08/764765408.db2.gz HTRULTNYQCBRDE-IRXDYDNUSA-N 2 2 341.415 0.961 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C2)nn1 ZINC001098774910 764977625 /nfs/dbraw/zinc/97/76/25/764977625.db2.gz UNJOKDCSGSLFSF-QGZVFWFLSA-N 2 2 346.479 0.896 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001098774910 764977630 /nfs/dbraw/zinc/97/76/30/764977630.db2.gz UNJOKDCSGSLFSF-QGZVFWFLSA-N 2 2 346.479 0.896 20 30 ECEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017748324 768344840 /nfs/dbraw/zinc/34/48/40/768344840.db2.gz NYVUDGFTZZNDAE-XFHVWQCUSA-N 2 2 329.444 0.548 20 30 ECEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017748324 768344848 /nfs/dbraw/zinc/34/48/48/768344848.db2.gz NYVUDGFTZZNDAE-XFHVWQCUSA-N 2 2 329.444 0.548 20 30 ECEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001017748324 768344857 /nfs/dbraw/zinc/34/48/57/768344857.db2.gz NYVUDGFTZZNDAE-XFHVWQCUSA-N 2 2 329.444 0.548 20 30 ECEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001017748324 768344864 /nfs/dbraw/zinc/34/48/64/768344864.db2.gz NYVUDGFTZZNDAE-XFHVWQCUSA-N 2 2 329.444 0.548 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046028405 766691149 /nfs/dbraw/zinc/69/11/49/766691149.db2.gz BHQXRJUIXUBDCI-IRXDYDNUSA-N 2 2 333.480 0.601 20 30 ECEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046028405 766691152 /nfs/dbraw/zinc/69/11/52/766691152.db2.gz BHQXRJUIXUBDCI-IRXDYDNUSA-N 2 2 333.480 0.601 20 30 ECEDLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046035985 766724719 /nfs/dbraw/zinc/72/47/19/766724719.db2.gz XURLDOJUHKJHNW-MSOLQXFVSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046035985 766724724 /nfs/dbraw/zinc/72/47/24/766724724.db2.gz XURLDOJUHKJHNW-MSOLQXFVSA-N 2 2 347.507 0.706 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC001046040230 766745027 /nfs/dbraw/zinc/74/50/27/766745027.db2.gz HHCAROBGSDWAIY-SJORKVTESA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC001046040230 766745032 /nfs/dbraw/zinc/74/50/32/766745032.db2.gz HHCAROBGSDWAIY-SJORKVTESA-N 2 2 343.475 0.850 20 30 ECEDLP N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC001046044100 766764950 /nfs/dbraw/zinc/76/49/50/766764950.db2.gz OYMFUEITMKQNDR-QGZVFWFLSA-N 2 2 338.415 0.690 20 30 ECEDLP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046077751 766909328 /nfs/dbraw/zinc/90/93/28/766909328.db2.gz YLMBXSUVBXTMHU-INIZCTEOSA-N 2 2 331.464 0.757 20 30 ECEDLP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046077751 766909334 /nfs/dbraw/zinc/90/93/34/766909334.db2.gz YLMBXSUVBXTMHU-INIZCTEOSA-N 2 2 331.464 0.757 20 30 ECEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046086353 766928514 /nfs/dbraw/zinc/92/85/14/766928514.db2.gz WDLYNGHFWNVVMU-DLBZAZTESA-N 2 2 333.480 0.603 20 30 ECEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046086353 766928515 /nfs/dbraw/zinc/92/85/15/766928515.db2.gz WDLYNGHFWNVVMU-DLBZAZTESA-N 2 2 333.480 0.603 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccns2)C1 ZINC001031742921 767005989 /nfs/dbraw/zinc/00/59/89/767005989.db2.gz XAHMFSLRUFQEGO-INIZCTEOSA-N 2 2 332.473 0.831 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccns2)C1 ZINC001031742921 767006000 /nfs/dbraw/zinc/00/60/00/767006000.db2.gz XAHMFSLRUFQEGO-INIZCTEOSA-N 2 2 332.473 0.831 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@H+]1CCO ZINC001054044128 767642661 /nfs/dbraw/zinc/64/26/61/767642661.db2.gz RVIORJVELGMFBN-MOPGFXCFSA-N 2 2 341.455 0.619 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1CCO ZINC001054044128 767642665 /nfs/dbraw/zinc/64/26/65/767642665.db2.gz RVIORJVELGMFBN-MOPGFXCFSA-N 2 2 341.455 0.619 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[NH+]1CCO ZINC001054044128 767642671 /nfs/dbraw/zinc/64/26/71/767642671.db2.gz RVIORJVELGMFBN-MOPGFXCFSA-N 2 2 341.455 0.619 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1Cc2ccccc2C[NH+]1CCO ZINC001054044128 767642676 /nfs/dbraw/zinc/64/26/76/767642676.db2.gz RVIORJVELGMFBN-MOPGFXCFSA-N 2 2 341.455 0.619 20 30 ECEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001106621419 768519863 /nfs/dbraw/zinc/51/98/63/768519863.db2.gz JZTSIUCUFMOZGV-UNEWFSDZSA-N 2 2 345.447 0.164 20 30 ECEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001106621419 768519866 /nfs/dbraw/zinc/51/98/66/768519866.db2.gz JZTSIUCUFMOZGV-UNEWFSDZSA-N 2 2 345.447 0.164 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748092 768843775 /nfs/dbraw/zinc/84/37/75/768843775.db2.gz JFZWZYRUWADLIN-RRFJBIMHSA-N 2 2 345.447 0.022 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748092 768843782 /nfs/dbraw/zinc/84/37/82/768843782.db2.gz JFZWZYRUWADLIN-RRFJBIMHSA-N 2 2 345.447 0.022 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001018949725 770360613 /nfs/dbraw/zinc/36/06/13/770360613.db2.gz LMPSYCWUOJJIRH-LSDHHAIUSA-N 2 2 331.420 0.320 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001018949725 770360622 /nfs/dbraw/zinc/36/06/22/770360622.db2.gz LMPSYCWUOJJIRH-LSDHHAIUSA-N 2 2 331.420 0.320 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001018985666 770484118 /nfs/dbraw/zinc/48/41/18/770484118.db2.gz XYMRXFCZYBHVAK-QEJZJMRPSA-N 2 2 331.420 0.727 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001018985666 770484120 /nfs/dbraw/zinc/48/41/20/770484120.db2.gz XYMRXFCZYBHVAK-QEJZJMRPSA-N 2 2 331.420 0.727 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccnc(OC)n2)C1 ZINC001018986146 770485185 /nfs/dbraw/zinc/48/51/85/770485185.db2.gz SDEXQSQECNIGQG-HOTGVXAUSA-N 2 2 343.431 0.273 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccnc(OC)n2)C1 ZINC001018986146 770485189 /nfs/dbraw/zinc/48/51/89/770485189.db2.gz SDEXQSQECNIGQG-HOTGVXAUSA-N 2 2 343.431 0.273 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)C1=O ZINC001019721130 771735943 /nfs/dbraw/zinc/73/59/43/771735943.db2.gz ASZZUTPJYAFBLZ-GOEBONIOSA-N 2 2 345.447 0.330 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1 ZINC001020045716 772106116 /nfs/dbraw/zinc/10/61/16/772106116.db2.gz JJVXFTLJWZJYHD-ZOBUZTSGSA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1 ZINC001020045716 772106118 /nfs/dbraw/zinc/10/61/18/772106118.db2.gz JJVXFTLJWZJYHD-ZOBUZTSGSA-N 2 2 346.406 0.765 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)C1=O ZINC001045014652 774842541 /nfs/dbraw/zinc/84/25/41/774842541.db2.gz WMNYRGLARSUHDY-LSDHHAIUSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nccc(C)n1 ZINC001045074031 774936710 /nfs/dbraw/zinc/93/67/10/774936710.db2.gz VUIKLEVOGIDGEQ-IRXDYDNUSA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nccc(C)n1 ZINC001045074031 774936713 /nfs/dbraw/zinc/93/67/13/774936713.db2.gz VUIKLEVOGIDGEQ-IRXDYDNUSA-N 2 2 341.459 0.963 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001070212330 783667317 /nfs/dbraw/zinc/66/73/17/783667317.db2.gz DHCRDEVMOCLCRJ-GBOPCIDUSA-N 2 2 327.392 0.332 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070212330 783667324 /nfs/dbraw/zinc/66/73/24/783667324.db2.gz DHCRDEVMOCLCRJ-GBOPCIDUSA-N 2 2 327.392 0.332 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001070558609 784273731 /nfs/dbraw/zinc/27/37/31/784273731.db2.gz HPNROYQUQRSOLZ-DOTOQJQBSA-N 2 2 342.447 0.856 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001070558690 784275077 /nfs/dbraw/zinc/27/50/77/784275077.db2.gz MBIZFKXRXBZCLW-XJKSGUPXSA-N 2 2 328.420 0.764 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCC#N ZINC001070649190 784495849 /nfs/dbraw/zinc/49/58/49/784495849.db2.gz UAIBIIGUHOFQJS-ARFHVFGLSA-N 2 2 342.447 0.169 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001071060966 784499733 /nfs/dbraw/zinc/49/97/33/784499733.db2.gz GWRLJSQSERTBSH-AEFFLSMTSA-N 2 2 330.432 0.961 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001071060966 784499738 /nfs/dbraw/zinc/49/97/38/784499738.db2.gz GWRLJSQSERTBSH-AEFFLSMTSA-N 2 2 330.432 0.961 20 30 ECEDLP CC1CC[NH+](CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)CC1 ZINC001070705190 784571112 /nfs/dbraw/zinc/57/11/12/784571112.db2.gz HPUFEPDMEDRYEV-HZPDHXFCSA-N 2 2 344.463 0.560 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001073667984 786921050 /nfs/dbraw/zinc/92/10/50/786921050.db2.gz SZHZPZFRHNWPEP-HNNXBMFYSA-N 2 2 334.420 0.580 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001073667984 786921056 /nfs/dbraw/zinc/92/10/56/786921056.db2.gz SZHZPZFRHNWPEP-HNNXBMFYSA-N 2 2 334.420 0.580 20 30 ECEDLP C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001075398232 789324736 /nfs/dbraw/zinc/32/47/36/789324736.db2.gz YKVMJKPJAWMYLE-HOTGVXAUSA-N 2 2 330.432 0.961 20 30 ECEDLP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001073448816 789855833 /nfs/dbraw/zinc/85/58/33/789855833.db2.gz CISLTWSYEZPHBW-KRWDZBQOSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001073448816 789855837 /nfs/dbraw/zinc/85/58/37/789855837.db2.gz CISLTWSYEZPHBW-KRWDZBQOSA-N 2 2 331.460 0.655 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965806 790252652 /nfs/dbraw/zinc/25/26/52/790252652.db2.gz HPYCLULBBYTKLY-IKGGRYGDSA-N 2 2 346.479 0.926 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965806 790252654 /nfs/dbraw/zinc/25/26/54/790252654.db2.gz HPYCLULBBYTKLY-IKGGRYGDSA-N 2 2 346.479 0.926 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965806 790252658 /nfs/dbraw/zinc/25/26/58/790252658.db2.gz HPYCLULBBYTKLY-IKGGRYGDSA-N 2 2 346.479 0.926 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965806 790252661 /nfs/dbraw/zinc/25/26/61/790252661.db2.gz HPYCLULBBYTKLY-IKGGRYGDSA-N 2 2 346.479 0.926 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069968389 790256267 /nfs/dbraw/zinc/25/62/67/790256267.db2.gz XFVYAOZORZDJPX-CABCVRRESA-N 2 2 330.436 0.434 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069968389 790256274 /nfs/dbraw/zinc/25/62/74/790256274.db2.gz XFVYAOZORZDJPX-CABCVRRESA-N 2 2 330.436 0.434 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267544135 837732516 /nfs/dbraw/zinc/73/25/16/837732516.db2.gz JEBQDGJTRAWSQF-IRXDYDNUSA-N 2 2 344.459 0.924 20 30 ECEDLP COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267544135 837732519 /nfs/dbraw/zinc/73/25/19/837732519.db2.gz JEBQDGJTRAWSQF-IRXDYDNUSA-N 2 2 344.459 0.924 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001267567782 837788611 /nfs/dbraw/zinc/78/86/11/837788611.db2.gz OWVDIUPBQCVBKK-HOTGVXAUSA-N 2 2 345.447 0.412 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001267567782 837788620 /nfs/dbraw/zinc/78/86/20/837788620.db2.gz OWVDIUPBQCVBKK-HOTGVXAUSA-N 2 2 345.447 0.412 20 30 ECEDLP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001266419706 835823665 /nfs/dbraw/zinc/82/36/65/835823665.db2.gz BJGNXJZIQCQLFH-KURKYZTESA-N 2 2 349.475 0.374 20 30 ECEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001267015611 836622023 /nfs/dbraw/zinc/62/20/23/836622023.db2.gz IYQPUVCTQOUEPO-BBWFWOEESA-N 2 2 335.448 0.080 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1cnc(C)cn1 ZINC001267200078 836971975 /nfs/dbraw/zinc/97/19/75/836971975.db2.gz CXOMNJYEVSLZGH-RDJZCZTQSA-N 2 2 329.448 0.992 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1cnc(C)cn1 ZINC001267200078 836971986 /nfs/dbraw/zinc/97/19/86/836971986.db2.gz CXOMNJYEVSLZGH-RDJZCZTQSA-N 2 2 329.448 0.992 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1cnc(C)cn1 ZINC001267200078 836971994 /nfs/dbraw/zinc/97/19/94/836971994.db2.gz CXOMNJYEVSLZGH-RDJZCZTQSA-N 2 2 329.448 0.992 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1cnc(C)cn1 ZINC001267200078 836972002 /nfs/dbraw/zinc/97/20/02/836972002.db2.gz CXOMNJYEVSLZGH-RDJZCZTQSA-N 2 2 329.448 0.992 20 30 ECEDLP C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C)c1 ZINC001267202573 836977905 /nfs/dbraw/zinc/97/79/05/836977905.db2.gz BUNHCIQJUNMSQJ-QGZVFWFLSA-N 2 2 344.459 0.995 20 30 ECEDLP C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C)c1 ZINC001267202573 836977911 /nfs/dbraw/zinc/97/79/11/836977911.db2.gz BUNHCIQJUNMSQJ-QGZVFWFLSA-N 2 2 344.459 0.995 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001267268941 837107595 /nfs/dbraw/zinc/10/75/95/837107595.db2.gz IIKRHIXOCCDWGR-JKSUJKDBSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001267268941 837107600 /nfs/dbraw/zinc/10/76/00/837107600.db2.gz IIKRHIXOCCDWGR-JKSUJKDBSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001267268941 837107605 /nfs/dbraw/zinc/10/76/05/837107605.db2.gz IIKRHIXOCCDWGR-JKSUJKDBSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001267268941 837107609 /nfs/dbraw/zinc/10/76/09/837107609.db2.gz IIKRHIXOCCDWGR-JKSUJKDBSA-N 2 2 336.480 0.744 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001267326670 837205512 /nfs/dbraw/zinc/20/55/12/837205512.db2.gz XXWZOXJHSPHDID-WBVHZDCISA-N 2 2 348.491 0.578 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001267326670 837205519 /nfs/dbraw/zinc/20/55/19/837205519.db2.gz XXWZOXJHSPHDID-WBVHZDCISA-N 2 2 348.491 0.578 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001267326670 837205524 /nfs/dbraw/zinc/20/55/24/837205524.db2.gz XXWZOXJHSPHDID-WBVHZDCISA-N 2 2 348.491 0.578 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001267326670 837205533 /nfs/dbraw/zinc/20/55/33/837205533.db2.gz XXWZOXJHSPHDID-WBVHZDCISA-N 2 2 348.491 0.578 20 30 ECEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001267987370 838926225 /nfs/dbraw/zinc/92/62/25/838926225.db2.gz UWFLUEDFQUCSKV-WMLDXEAASA-N 2 2 347.463 0.782 20 30 ECEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001267987370 838926233 /nfs/dbraw/zinc/92/62/33/838926233.db2.gz UWFLUEDFQUCSKV-WMLDXEAASA-N 2 2 347.463 0.782 20 30 ECEDLP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001267995115 838939244 /nfs/dbraw/zinc/93/92/44/838939244.db2.gz CDWFXYFBYFJDSQ-ZACQAIPSSA-N 2 2 337.464 0.231 20 30 ECEDLP CC(C)N1C[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1=O ZINC000330495777 254638400 /nfs/dbraw/zinc/63/84/00/254638400.db2.gz WZIZIJIXYJRZDY-CQSZACIVSA-N 2 2 339.484 0.525 20 30 ECEDLP Cn1c[nH+]c(CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)c1 ZINC000496873475 255138192 /nfs/dbraw/zinc/13/81/92/255138192.db2.gz HUEGIGNRJGUVEN-AWEZNQCLSA-N 2 2 348.451 0.843 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)CC1 ZINC000491405249 275382929 /nfs/dbraw/zinc/38/29/29/275382929.db2.gz HRBDCYLDWSZVQZ-FGTMMUONSA-N 2 2 346.475 0.000 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158606232 277750076 /nfs/dbraw/zinc/75/00/76/277750076.db2.gz GKXIIWHTWVYBIS-UHFFFAOYSA-N 2 2 330.498 0.557 20 30 ECEDLP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329658059 295388021 /nfs/dbraw/zinc/38/80/21/295388021.db2.gz NFUDIZALGUMNQO-GJZGRUSLSA-N 2 2 333.436 0.909 20 30 ECEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000073167703 436069656 /nfs/dbraw/zinc/06/96/56/436069656.db2.gz WLBJDVDGRZOQGV-UHFFFAOYSA-N 2 2 344.419 0.900 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000246666534 436783372 /nfs/dbraw/zinc/78/33/72/436783372.db2.gz YELUEUCOOZVWDL-IAGOWNOFSA-N 2 2 335.496 0.706 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000246666534 436783374 /nfs/dbraw/zinc/78/33/74/436783374.db2.gz YELUEUCOOZVWDL-IAGOWNOFSA-N 2 2 335.496 0.706 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCOCc2ccccc2)CC1 ZINC000154693550 436784002 /nfs/dbraw/zinc/78/40/02/436784002.db2.gz LDSZZCOCHWLMTP-UHFFFAOYSA-N 2 2 329.444 0.912 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCOCc2ccccc2)CC1 ZINC000154693550 436784003 /nfs/dbraw/zinc/78/40/03/436784003.db2.gz LDSZZCOCHWLMTP-UHFFFAOYSA-N 2 2 329.444 0.912 20 30 ECEDLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCC(C)(C)C#N)CC2)CC1 ZINC000131112298 436848288 /nfs/dbraw/zinc/84/82/88/436848288.db2.gz HCJXZEZVRMRCKP-UHFFFAOYSA-N 2 2 343.497 0.036 20 30 ECEDLP C[NH+]=C(NCc1ccn(C)c1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261935181 436898349 /nfs/dbraw/zinc/89/83/49/436898349.db2.gz CHOPUAARZRMJRZ-UHFFFAOYSA-N 2 2 334.468 0.196 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCc2nc(C)nn2C1 ZINC000262752093 436941267 /nfs/dbraw/zinc/94/12/67/436941267.db2.gz CCTDQOOMSCOYNO-LBPRGKRZSA-N 2 2 345.455 0.066 20 30 ECEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CCO[C@H](COC)C1 ZINC000179263665 437257505 /nfs/dbraw/zinc/25/75/05/437257505.db2.gz OTGPYPDLYSVTMI-HNNXBMFYSA-N 2 2 344.419 0.690 20 30 ECEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncccc1S(C)(=O)=O ZINC000278643414 437330051 /nfs/dbraw/zinc/33/00/51/437330051.db2.gz ZLWPRDNBJGOELP-GFCCVEGCSA-N 2 2 339.465 0.374 20 30 ECEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncccc1S(C)(=O)=O ZINC000278643414 437330053 /nfs/dbraw/zinc/33/00/53/437330053.db2.gz ZLWPRDNBJGOELP-GFCCVEGCSA-N 2 2 339.465 0.374 20 30 ECEDLP C[NH+]1CCC(n2ccc(NC(=O)NC[C@H]3C[N@H+](C)CCO3)n2)CC1 ZINC000330204560 437469923 /nfs/dbraw/zinc/46/99/23/437469923.db2.gz BSFSKFWDFCQADH-AWEZNQCLSA-N 2 2 336.440 0.806 20 30 ECEDLP C[NH+]1CCC(n2ccc(NC(=O)NC[C@H]3C[N@@H+](C)CCO3)n2)CC1 ZINC000330204560 437469926 /nfs/dbraw/zinc/46/99/26/437469926.db2.gz BSFSKFWDFCQADH-AWEZNQCLSA-N 2 2 336.440 0.806 20 30 ECEDLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C ZINC000329977702 437441929 /nfs/dbraw/zinc/44/19/29/437441929.db2.gz ZYOTXRRBDZSZCT-HIFRSBDPSA-N 2 2 332.452 0.859 20 30 ECEDLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCN1C ZINC000329977702 437441931 /nfs/dbraw/zinc/44/19/31/437441931.db2.gz ZYOTXRRBDZSZCT-HIFRSBDPSA-N 2 2 332.452 0.859 20 30 ECEDLP CN1C[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCC1=O ZINC000330497510 437530861 /nfs/dbraw/zinc/53/08/61/437530861.db2.gz ZTIBTTZWNZLEKU-CYBMUJFWSA-N 2 2 325.457 0.137 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000363678959 437805142 /nfs/dbraw/zinc/80/51/42/437805142.db2.gz SKPFJOYYLZVBTB-UHFFFAOYSA-N 2 2 331.420 0.994 20 30 ECEDLP COC(=O)C1CC[NH+](CC#CC[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000341836166 437904825 /nfs/dbraw/zinc/90/48/25/437904825.db2.gz PODSYCMOEIOIAM-UHFFFAOYSA-N 2 2 336.432 0.760 20 30 ECEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000563137669 438860645 /nfs/dbraw/zinc/86/06/45/438860645.db2.gz HMNALKLUHLHNLB-RBUKOAKNSA-N 2 2 346.475 0.202 20 30 ECEDLP Cc1[nH+]cc2n1C[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)CC2 ZINC000519760157 439059629 /nfs/dbraw/zinc/05/96/29/439059629.db2.gz SFFUNPZVHWSFDQ-INIZCTEOSA-N 2 2 345.447 0.828 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000591726545 439078687 /nfs/dbraw/zinc/07/86/87/439078687.db2.gz KYOJRHLDNDDJEQ-CABCVRRESA-N 2 2 334.445 0.943 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000591726545 439078692 /nfs/dbraw/zinc/07/86/92/439078692.db2.gz KYOJRHLDNDDJEQ-CABCVRRESA-N 2 2 334.445 0.943 20 30 ECEDLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590080 439281928 /nfs/dbraw/zinc/28/19/28/439281928.db2.gz WWGDLEFGDNPAHA-IXDOHACOSA-N 2 2 338.496 0.624 20 30 ECEDLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590080 439281933 /nfs/dbraw/zinc/28/19/33/439281933.db2.gz WWGDLEFGDNPAHA-IXDOHACOSA-N 2 2 338.496 0.624 20 30 ECEDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590080 439281938 /nfs/dbraw/zinc/28/19/38/439281938.db2.gz WWGDLEFGDNPAHA-IXDOHACOSA-N 2 2 338.496 0.624 20 30 ECEDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590080 439281945 /nfs/dbraw/zinc/28/19/45/439281945.db2.gz WWGDLEFGDNPAHA-IXDOHACOSA-N 2 2 338.496 0.624 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC(=O)OC)C2CCCCC2)CC1 ZINC000490934579 439316368 /nfs/dbraw/zinc/31/63/68/439316368.db2.gz JMGWKKHMWMCWNQ-QGZVFWFLSA-N 2 2 349.475 0.865 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@](C)(CC(=O)OCC)C(C)C)CC1 ZINC000491036651 439324433 /nfs/dbraw/zinc/32/44/33/439324433.db2.gz AEEYTRNCESOCGF-GOSISDBHSA-N 2 2 337.464 0.721 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000490759680 439295147 /nfs/dbraw/zinc/29/51/47/439295147.db2.gz DRSMVTBAEANOEU-OAHLLOKOSA-N 2 2 335.448 0.427 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000490759680 439295151 /nfs/dbraw/zinc/29/51/51/439295151.db2.gz DRSMVTBAEANOEU-OAHLLOKOSA-N 2 2 335.448 0.427 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)CC23CCCCC3)CC1 ZINC000490759923 439295776 /nfs/dbraw/zinc/29/57/76/439295776.db2.gz IASKWDZDWUUTIS-UHFFFAOYSA-N 2 2 332.492 0.714 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)CC23CCCCC3)CC1 ZINC000490759923 439295782 /nfs/dbraw/zinc/29/57/82/439295782.db2.gz IASKWDZDWUUTIS-UHFFFAOYSA-N 2 2 332.492 0.714 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(Oc3ccccn3)CC2)CC1 ZINC000490865349 439304562 /nfs/dbraw/zinc/30/45/62/439304562.db2.gz BILOKZICYMGKDQ-UHFFFAOYSA-N 2 2 342.443 0.702 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC3(CC2)[C@H](O)C[C@H]3OCC)CC1 ZINC000490865795 439304649 /nfs/dbraw/zinc/30/46/49/439304649.db2.gz HOYNQZHUOHTFTL-IAGOWNOFSA-N 2 2 349.475 0.016 20 30 ECEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000598714217 439305621 /nfs/dbraw/zinc/30/56/21/439305621.db2.gz GVGNJTJRSNRYPD-INIZCTEOSA-N 2 2 346.479 0.879 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000491326094 439366021 /nfs/dbraw/zinc/36/60/21/439366021.db2.gz JVXWETZMEPZKNV-KBAYOESNSA-N 2 2 331.460 0.701 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000491209764 439350431 /nfs/dbraw/zinc/35/04/31/439350431.db2.gz LKILGBJZAXLHOF-LJQANCHMSA-N 2 2 340.471 0.628 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000491209764 439350435 /nfs/dbraw/zinc/35/04/35/439350435.db2.gz LKILGBJZAXLHOF-LJQANCHMSA-N 2 2 340.471 0.628 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000491650915 439420351 /nfs/dbraw/zinc/42/03/51/439420351.db2.gz CQHKEXBRRXCZHF-UHFFFAOYSA-N 2 2 338.452 0.220 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000491650915 439420354 /nfs/dbraw/zinc/42/03/54/439420354.db2.gz CQHKEXBRRXCZHF-UHFFFAOYSA-N 2 2 338.452 0.220 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000491792414 439451233 /nfs/dbraw/zinc/45/12/33/439451233.db2.gz FUIOWMBCLBUNNW-UYAOXDASSA-N 2 2 340.471 0.799 20 30 ECEDLP C=CCc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc(OC)c1O ZINC000571344597 439496571 /nfs/dbraw/zinc/49/65/71/439496571.db2.gz VLTNOQVVFFXVRM-LSDHHAIUSA-N 2 2 331.416 0.873 20 30 ECEDLP C=CCc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc(OC)c1O ZINC000571344597 439496576 /nfs/dbraw/zinc/49/65/76/439496576.db2.gz VLTNOQVVFFXVRM-LSDHHAIUSA-N 2 2 331.416 0.873 20 30 ECEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000609485381 439571767 /nfs/dbraw/zinc/57/17/67/439571767.db2.gz OWXMHGLVQATGGQ-KRWDZBQOSA-N 2 2 335.496 0.753 20 30 ECEDLP C=C[C@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000662167658 440978648 /nfs/dbraw/zinc/97/86/48/440978648.db2.gz DWKSLWQQFNEGJA-MRXNPFEDSA-N 2 2 333.432 0.476 20 30 ECEDLP C=C(C)[C@@H](CO)[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000677048307 548894853 /nfs/dbraw/zinc/89/48/53/548894853.db2.gz UUKJTLHZMXPMOV-OAHLLOKOSA-N 2 2 333.436 0.372 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC(=O)OCC)CC2CC2)CC1 ZINC000748814493 579329406 /nfs/dbraw/zinc/32/94/06/579329406.db2.gz CMOFTCFFEGYZJQ-UHFFFAOYSA-N 2 2 335.448 0.429 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC(=O)OCC)CC2CC2)CC1 ZINC000748814493 579329407 /nfs/dbraw/zinc/32/94/07/579329407.db2.gz CMOFTCFFEGYZJQ-UHFFFAOYSA-N 2 2 335.448 0.429 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000730105964 578303469 /nfs/dbraw/zinc/30/34/69/578303469.db2.gz RYGAMWXMQCBLKR-INIZCTEOSA-N 2 2 334.464 0.191 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000730105964 578303470 /nfs/dbraw/zinc/30/34/70/578303470.db2.gz RYGAMWXMQCBLKR-INIZCTEOSA-N 2 2 334.464 0.191 20 30 ECEDLP C#C[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000775798175 579271511 /nfs/dbraw/zinc/27/15/11/579271511.db2.gz GMWXFNJPNIRLSL-IXDOHACOSA-N 2 2 342.443 0.889 20 30 ECEDLP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000834485519 588902238 /nfs/dbraw/zinc/90/22/38/588902238.db2.gz XVJOQHBONIJTBC-JKIFEVAISA-N 2 2 345.422 0.564 20 30 ECEDLP Cc1c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cnn1CCC#N ZINC000896839717 586273018 /nfs/dbraw/zinc/27/30/18/586273018.db2.gz DESYNZLKKYNGGY-UHFFFAOYSA-N 2 2 332.452 0.861 20 30 ECEDLP S=C(NCC[NH+]1CCOCC1)NN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848400554 589292895 /nfs/dbraw/zinc/29/28/95/589292895.db2.gz LUANYBDUWBZREJ-HNNXBMFYSA-N 2 2 339.509 0.787 20 30 ECEDLP S=C(NCC[NH+]1CCOCC1)NN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848400554 589292896 /nfs/dbraw/zinc/29/28/96/589292896.db2.gz LUANYBDUWBZREJ-HNNXBMFYSA-N 2 2 339.509 0.787 20 30 ECEDLP S=C(NCCC[NH+]1CCOCC1)NN=Cc1c[nH+]c2n1CCC2 ZINC000853267105 589539352 /nfs/dbraw/zinc/53/93/52/589539352.db2.gz FVYWTDZDJNDGBY-UHFFFAOYSA-N 2 2 336.465 0.350 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)CC1 ZINC000859520872 589846945 /nfs/dbraw/zinc/84/69/45/589846945.db2.gz ZBZWDGXFVLRXRL-KRWDZBQOSA-N 2 2 349.475 0.017 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)CC1 ZINC000859520872 589846947 /nfs/dbraw/zinc/84/69/47/589846947.db2.gz ZBZWDGXFVLRXRL-KRWDZBQOSA-N 2 2 349.475 0.017 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000868940173 589936510 /nfs/dbraw/zinc/93/65/10/589936510.db2.gz JYHCMASKYFUQOJ-UHFFFAOYSA-N 2 2 349.500 0.985 20 30 ECEDLP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(C#N)C[NH+](C)C ZINC000875705007 590323119 /nfs/dbraw/zinc/32/31/19/590323119.db2.gz KGRXSEODCQBPQW-BLLLJJGKSA-N 2 2 341.456 0.401 20 30 ECEDLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876781189 590414375 /nfs/dbraw/zinc/41/43/75/590414375.db2.gz DXKYKUCUBOCXCC-KSSFIOAISA-N 2 2 341.459 0.497 20 30 ECEDLP C#CCCCCC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000877958145 590488983 /nfs/dbraw/zinc/48/89/83/590488983.db2.gz HRNQJTNYJGGPEF-UHFFFAOYSA-N 2 2 342.509 0.290 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879243842 590573485 /nfs/dbraw/zinc/57/34/85/590573485.db2.gz MHZQAMIPFCLRAK-ICSRJNTNSA-N 2 2 341.455 0.962 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879243842 590573488 /nfs/dbraw/zinc/57/34/88/590573488.db2.gz MHZQAMIPFCLRAK-ICSRJNTNSA-N 2 2 341.455 0.962 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000884189909 590768023 /nfs/dbraw/zinc/76/80/23/590768023.db2.gz PJFFKOUGPHQRTE-KKUMJFAQSA-N 2 2 325.453 0.917 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000884201351 590771248 /nfs/dbraw/zinc/77/12/48/590771248.db2.gz WDDWQYWGGRTIGN-TUVASFSCSA-N 2 2 325.453 0.916 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000890362705 591150363 /nfs/dbraw/zinc/15/03/63/591150363.db2.gz GNSVEANYWIZWGF-KRWDZBQOSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000890362705 591150366 /nfs/dbraw/zinc/15/03/66/591150366.db2.gz GNSVEANYWIZWGF-KRWDZBQOSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)C1 ZINC000890362705 591150368 /nfs/dbraw/zinc/15/03/68/591150368.db2.gz GNSVEANYWIZWGF-KRWDZBQOSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)C1 ZINC000890362705 591150371 /nfs/dbraw/zinc/15/03/71/591150371.db2.gz GNSVEANYWIZWGF-KRWDZBQOSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000890373211 591155333 /nfs/dbraw/zinc/15/53/33/591155333.db2.gz RGIBKLSTGORNTG-YESZJQIVSA-N 2 2 334.464 0.325 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000890373211 591155336 /nfs/dbraw/zinc/15/53/36/591155336.db2.gz RGIBKLSTGORNTG-YESZJQIVSA-N 2 2 334.464 0.325 20 30 ECEDLP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC000941466428 610328037 /nfs/dbraw/zinc/32/80/37/610328037.db2.gz STVQYXNQCZGQEP-INIZCTEOSA-N 2 2 343.475 0.850 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)C1 ZINC000941640904 610425515 /nfs/dbraw/zinc/42/55/15/610425515.db2.gz IMMWGSOAGWCILO-UHFFFAOYSA-N 2 2 341.459 0.613 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)C[C@@H]2C)CC1 ZINC000945180095 610934480 /nfs/dbraw/zinc/93/44/80/610934480.db2.gz KGIUDHPYQWKXRT-WMLDXEAASA-N 2 2 345.447 0.741 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)C[C@@H]2C)CC1 ZINC000945180095 610934482 /nfs/dbraw/zinc/93/44/82/610934482.db2.gz KGIUDHPYQWKXRT-WMLDXEAASA-N 2 2 345.447 0.741 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)CCO2 ZINC000949127097 611863963 /nfs/dbraw/zinc/86/39/63/611863963.db2.gz UAHXKHPUXKKMTK-MRXNPFEDSA-N 2 2 342.443 0.772 20 30 ECEDLP CC#CC[N@@H+]1CCOC2(CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000949496091 612006625 /nfs/dbraw/zinc/00/66/25/612006625.db2.gz QOQNMVSHWWWGOY-UHFFFAOYSA-N 2 2 349.475 0.425 20 30 ECEDLP CC#CC[N@H+]1CCOC2(CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000949496091 612006627 /nfs/dbraw/zinc/00/66/27/612006627.db2.gz QOQNMVSHWWWGOY-UHFFFAOYSA-N 2 2 349.475 0.425 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cnn(C)c2)C1 ZINC000969867756 732462567 /nfs/dbraw/zinc/46/25/67/732462567.db2.gz GCGHCXPTPLFMEV-PBHICJAKSA-N 2 2 329.448 0.454 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cnn(C)c2)C1 ZINC000969867756 732462568 /nfs/dbraw/zinc/46/25/68/732462568.db2.gz GCGHCXPTPLFMEV-PBHICJAKSA-N 2 2 329.448 0.454 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)C2)CC1 ZINC000970792255 733943186 /nfs/dbraw/zinc/94/31/86/733943186.db2.gz HGWSDPQYVKNUAP-XJKSGUPXSA-N 2 2 344.463 0.710 20 30 ECEDLP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000933354988 734725760 /nfs/dbraw/zinc/72/57/60/734725760.db2.gz MLDILUXNSFNDSI-MSOLQXFVSA-N 2 2 349.475 0.470 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2snnc2C)C1 ZINC000971704003 734965462 /nfs/dbraw/zinc/96/54/62/734965462.db2.gz OZWZARZQHZBGIH-GJZGRUSLSA-N 2 2 347.488 0.977 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2snnc2C)C1 ZINC000971704003 734965464 /nfs/dbraw/zinc/96/54/64/734965464.db2.gz OZWZARZQHZBGIH-GJZGRUSLSA-N 2 2 347.488 0.977 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2snnc2C)C1 ZINC000971704003 734965467 /nfs/dbraw/zinc/96/54/67/734965467.db2.gz OZWZARZQHZBGIH-GJZGRUSLSA-N 2 2 347.488 0.977 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2snnc2C)C1 ZINC000971704003 734965470 /nfs/dbraw/zinc/96/54/70/734965470.db2.gz OZWZARZQHZBGIH-GJZGRUSLSA-N 2 2 347.488 0.977 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCCF)CCO2 ZINC000972417509 736158494 /nfs/dbraw/zinc/15/84/94/736158494.db2.gz YQMRRBHHBRUNPZ-WMZOPIPTSA-N 2 2 337.439 0.747 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCCF)CCO2 ZINC000972417509 736158497 /nfs/dbraw/zinc/15/84/97/736158497.db2.gz YQMRRBHHBRUNPZ-WMZOPIPTSA-N 2 2 337.439 0.747 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CCCF)CCO2 ZINC000972417509 736158499 /nfs/dbraw/zinc/15/84/99/736158499.db2.gz YQMRRBHHBRUNPZ-WMZOPIPTSA-N 2 2 337.439 0.747 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CCCF)CCO2 ZINC000972417509 736158501 /nfs/dbraw/zinc/15/85/01/736158501.db2.gz YQMRRBHHBRUNPZ-WMZOPIPTSA-N 2 2 337.439 0.747 20 30 ECEDLP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972430815 736180472 /nfs/dbraw/zinc/18/04/72/736180472.db2.gz KSRNJEUZFNFPQN-JFIYKMOQSA-N 2 2 335.448 0.032 20 30 ECEDLP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972430815 736180478 /nfs/dbraw/zinc/18/04/78/736180478.db2.gz KSRNJEUZFNFPQN-JFIYKMOQSA-N 2 2 335.448 0.032 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972430815 736180482 /nfs/dbraw/zinc/18/04/82/736180482.db2.gz KSRNJEUZFNFPQN-JFIYKMOQSA-N 2 2 335.448 0.032 20 30 ECEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972430815 736180487 /nfs/dbraw/zinc/18/04/87/736180487.db2.gz KSRNJEUZFNFPQN-JFIYKMOQSA-N 2 2 335.448 0.032 20 30 ECEDLP Cc1cc[nH+]c(N2CCN(C(NCC(=O)N(C)C)=[NH+]C(C)C)CC2)c1 ZINC000262343291 736566979 /nfs/dbraw/zinc/56/69/79/736566979.db2.gz XLNYFQHGEGKVFM-UHFFFAOYSA-N 2 2 346.479 0.954 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC000972722976 737548864 /nfs/dbraw/zinc/54/88/64/737548864.db2.gz FXPJHCHHIRWSLY-HOCLYGCPSA-N 2 2 345.447 0.282 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC000972722976 737548865 /nfs/dbraw/zinc/54/88/65/737548865.db2.gz FXPJHCHHIRWSLY-HOCLYGCPSA-N 2 2 345.447 0.282 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)nn1 ZINC001105268426 741610732 /nfs/dbraw/zinc/61/07/32/741610732.db2.gz NKDPBSVODSOOPC-NVXWUHKLSA-N 2 2 342.447 0.401 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268426 741610735 /nfs/dbraw/zinc/61/07/35/741610735.db2.gz NKDPBSVODSOOPC-NVXWUHKLSA-N 2 2 342.447 0.401 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)nn1 ZINC001105327236 741813413 /nfs/dbraw/zinc/81/34/13/741813413.db2.gz XSZIBWCDKZOBAZ-MRXNPFEDSA-N 2 2 332.452 0.505 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2csnn2)C1 ZINC001026893787 742038631 /nfs/dbraw/zinc/03/86/31/742038631.db2.gz NOUHMNRJTVYHHG-HIFRSBDPSA-N 2 2 333.461 0.574 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2csnn2)C1 ZINC001026893787 742038635 /nfs/dbraw/zinc/03/86/35/742038635.db2.gz NOUHMNRJTVYHHG-HIFRSBDPSA-N 2 2 333.461 0.574 20 30 ECEDLP Cc1[nH+]c[nH]c1CC(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1 ZINC000996802349 742891950 /nfs/dbraw/zinc/89/19/50/742891950.db2.gz LSMCNTJQCBZZRD-UHFFFAOYSA-N 2 2 344.463 0.829 20 30 ECEDLP C#CCN1CC[NH+](C2CCC(NC(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC000996803190 742893688 /nfs/dbraw/zinc/89/36/88/742893688.db2.gz QJHRXMXDVQXMQN-UHFFFAOYSA-N 2 2 343.475 0.939 20 30 ECEDLP CC[C@@H](C)[N@H+](C)CCNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261984788 743267062 /nfs/dbraw/zinc/26/70/62/743267062.db2.gz PTFNRNYGICLPOJ-CYBMUJFWSA-N 2 2 332.514 0.801 20 30 ECEDLP CC[C@@H](C)[N@@H+](C)CCNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261984788 743267066 /nfs/dbraw/zinc/26/70/66/743267066.db2.gz PTFNRNYGICLPOJ-CYBMUJFWSA-N 2 2 332.514 0.801 20 30 ECEDLP C[NH+]=C(NCc1nnc(C)n1C)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000261998928 743356898 /nfs/dbraw/zinc/35/68/98/743356898.db2.gz TUMIVAWBEZBZQJ-UHFFFAOYSA-N 2 2 342.451 0.725 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC000999917090 745053297 /nfs/dbraw/zinc/05/32/97/745053297.db2.gz SFASWJMTMMYYNQ-NRXISQOPSA-N 2 2 331.420 0.249 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CCC)C2)nn1 ZINC000999995084 745153708 /nfs/dbraw/zinc/15/37/08/745153708.db2.gz CVRVRTZMQBYNJO-IRXDYDNUSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CCC)C2)nn1 ZINC000999995084 745153712 /nfs/dbraw/zinc/15/37/12/745153712.db2.gz CVRVRTZMQBYNJO-IRXDYDNUSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CCC)C2)nn1 ZINC000999995084 745153716 /nfs/dbraw/zinc/15/37/16/745153716.db2.gz CVRVRTZMQBYNJO-IRXDYDNUSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CCC)C2)nn1 ZINC000999995084 745153720 /nfs/dbraw/zinc/15/37/20/745153720.db2.gz CVRVRTZMQBYNJO-IRXDYDNUSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999994606 745154023 /nfs/dbraw/zinc/15/40/23/745154023.db2.gz CMXUKZWWBBJHMY-SJORKVTESA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999994606 745154025 /nfs/dbraw/zinc/15/40/25/745154025.db2.gz CMXUKZWWBBJHMY-SJORKVTESA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](C(C)C)C2)nn1 ZINC000999994606 745154027 /nfs/dbraw/zinc/15/40/27/745154027.db2.gz CMXUKZWWBBJHMY-SJORKVTESA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](C(C)C)C2)nn1 ZINC000999994606 745154028 /nfs/dbraw/zinc/15/40/28/745154028.db2.gz CMXUKZWWBBJHMY-SJORKVTESA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCN(C)C2=O)CC1 ZINC001000788749 745764940 /nfs/dbraw/zinc/76/49/40/745764940.db2.gz ZJNJXFFKBPYBGG-IRXDYDNUSA-N 2 2 344.459 0.063 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCN(C)C2=O)CC1 ZINC001000788749 745764944 /nfs/dbraw/zinc/76/49/44/745764944.db2.gz ZJNJXFFKBPYBGG-IRXDYDNUSA-N 2 2 344.459 0.063 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001000788749 745764949 /nfs/dbraw/zinc/76/49/49/745764949.db2.gz ZJNJXFFKBPYBGG-IRXDYDNUSA-N 2 2 344.459 0.063 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001000788749 745764955 /nfs/dbraw/zinc/76/49/55/745764955.db2.gz ZJNJXFFKBPYBGG-IRXDYDNUSA-N 2 2 344.459 0.063 20 30 ECEDLP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001000987231 745953230 /nfs/dbraw/zinc/95/32/30/745953230.db2.gz ZZGRDCIXNPPYPC-MSOLQXFVSA-N 2 2 347.459 0.248 20 30 ECEDLP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001000987231 745953232 /nfs/dbraw/zinc/95/32/32/745953232.db2.gz ZZGRDCIXNPPYPC-MSOLQXFVSA-N 2 2 347.459 0.248 20 30 ECEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920399 746662249 /nfs/dbraw/zinc/66/22/49/746662249.db2.gz NLOSFPLROUXCBI-QLFBSQMISA-N 2 2 327.856 0.850 20 30 ECEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920399 746662250 /nfs/dbraw/zinc/66/22/50/746662250.db2.gz NLOSFPLROUXCBI-QLFBSQMISA-N 2 2 327.856 0.850 20 30 ECEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920399 746662251 /nfs/dbraw/zinc/66/22/51/746662251.db2.gz NLOSFPLROUXCBI-QLFBSQMISA-N 2 2 327.856 0.850 20 30 ECEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920399 746662252 /nfs/dbraw/zinc/66/22/52/746662252.db2.gz NLOSFPLROUXCBI-QLFBSQMISA-N 2 2 327.856 0.850 20 30 ECEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208810 747750398 /nfs/dbraw/zinc/75/03/98/747750398.db2.gz SGFSLQAKEXUEPU-SQNIBIBYSA-N 2 2 331.460 0.511 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208810 747750402 /nfs/dbraw/zinc/75/04/02/747750402.db2.gz SGFSLQAKEXUEPU-SQNIBIBYSA-N 2 2 331.460 0.511 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](CC)C(N)=O)CC1 ZINC001029596997 747855498 /nfs/dbraw/zinc/85/54/98/747855498.db2.gz GDZNXTXPKCXKRL-BBWFWOEESA-N 2 2 346.475 0.271 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001027805201 747920439 /nfs/dbraw/zinc/92/04/39/747920439.db2.gz PCVBHISHWWKYDO-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001027805201 747920441 /nfs/dbraw/zinc/92/04/41/747920441.db2.gz PCVBHISHWWKYDO-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC001027805201 747920443 /nfs/dbraw/zinc/92/04/43/747920443.db2.gz PCVBHISHWWKYDO-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC001027805201 747920446 /nfs/dbraw/zinc/92/04/46/747920446.db2.gz PCVBHISHWWKYDO-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP Cc1cccc2nc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)[nH]c21 ZINC000305709173 748388987 /nfs/dbraw/zinc/38/89/87/748388987.db2.gz JCTSVZWXLHYMSP-UHFFFAOYSA-N 2 2 330.436 0.998 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262793928 749777166 /nfs/dbraw/zinc/77/71/66/749777166.db2.gz OUGPKZPAYQNYRM-QWHCGFSZSA-N 3 2 333.484 0.776 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262793928 749777169 /nfs/dbraw/zinc/77/71/69/749777169.db2.gz OUGPKZPAYQNYRM-QWHCGFSZSA-N 3 2 333.484 0.776 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464768 752753440 /nfs/dbraw/zinc/75/34/40/752753440.db2.gz FEPHXWUWEMNITI-XJKSGUPXSA-N 2 2 348.472 0.888 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464768 752753444 /nfs/dbraw/zinc/75/34/44/752753444.db2.gz FEPHXWUWEMNITI-XJKSGUPXSA-N 2 2 348.472 0.888 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464768 752753446 /nfs/dbraw/zinc/75/34/46/752753446.db2.gz FEPHXWUWEMNITI-XJKSGUPXSA-N 2 2 348.472 0.888 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464768 752753449 /nfs/dbraw/zinc/75/34/49/752753449.db2.gz FEPHXWUWEMNITI-XJKSGUPXSA-N 2 2 348.472 0.888 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000989669331 754283540 /nfs/dbraw/zinc/28/35/40/754283540.db2.gz APDBRVQUGCOASZ-MRXNPFEDSA-N 2 2 334.464 0.403 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000989669331 754283544 /nfs/dbraw/zinc/28/35/44/754283544.db2.gz APDBRVQUGCOASZ-MRXNPFEDSA-N 2 2 334.464 0.403 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028711435 754792536 /nfs/dbraw/zinc/79/25/36/754792536.db2.gz AWDAREPEWYRABJ-ZWKOTPCHSA-N 2 2 333.476 0.949 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028711435 754792537 /nfs/dbraw/zinc/79/25/37/754792537.db2.gz AWDAREPEWYRABJ-ZWKOTPCHSA-N 2 2 333.476 0.949 20 30 ECEDLP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001028711435 754792540 /nfs/dbraw/zinc/79/25/40/754792540.db2.gz AWDAREPEWYRABJ-ZWKOTPCHSA-N 2 2 333.476 0.949 20 30 ECEDLP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001028711435 754792543 /nfs/dbraw/zinc/79/25/43/754792543.db2.gz AWDAREPEWYRABJ-ZWKOTPCHSA-N 2 2 333.476 0.949 20 30 ECEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105655313 755205001 /nfs/dbraw/zinc/20/50/01/755205001.db2.gz HJIPZGAVISZVOK-PSBWJHGTSA-N 2 2 344.459 0.942 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnon3)C[C@@H]2C1 ZINC001048870357 757238636 /nfs/dbraw/zinc/23/86/36/757238636.db2.gz ZDQVUZAPXNUELT-LZWOXQAQSA-N 2 2 329.404 0.057 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnon3)C[C@@H]2C1 ZINC001048870357 757238644 /nfs/dbraw/zinc/23/86/44/757238644.db2.gz ZDQVUZAPXNUELT-LZWOXQAQSA-N 2 2 329.404 0.057 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)C[C@@H]2C1 ZINC001048870357 757238652 /nfs/dbraw/zinc/23/86/52/757238652.db2.gz ZDQVUZAPXNUELT-LZWOXQAQSA-N 2 2 329.404 0.057 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnon3)C[C@@H]2C1 ZINC001048870357 757238655 /nfs/dbraw/zinc/23/86/55/757238655.db2.gz ZDQVUZAPXNUELT-LZWOXQAQSA-N 2 2 329.404 0.057 20 30 ECEDLP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001077027131 757982559 /nfs/dbraw/zinc/98/25/59/757982559.db2.gz CQZSJJSLGCORES-OWCLPIDISA-N 2 2 333.436 0.527 20 30 ECEDLP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001077027131 757982566 /nfs/dbraw/zinc/98/25/66/757982566.db2.gz CQZSJJSLGCORES-OWCLPIDISA-N 2 2 333.436 0.527 20 30 ECEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001077027131 757982570 /nfs/dbraw/zinc/98/25/70/757982570.db2.gz CQZSJJSLGCORES-OWCLPIDISA-N 2 2 333.436 0.527 20 30 ECEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001077027131 757982579 /nfs/dbraw/zinc/98/25/79/757982579.db2.gz CQZSJJSLGCORES-OWCLPIDISA-N 2 2 333.436 0.527 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2csnn2)C1 ZINC001022220725 758441720 /nfs/dbraw/zinc/44/17/20/758441720.db2.gz LRWSXLWXXJQGDH-XPCVCDNBSA-N 2 2 333.461 0.934 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2csnn2)C1 ZINC001022220725 758441724 /nfs/dbraw/zinc/44/17/24/758441724.db2.gz LRWSXLWXXJQGDH-XPCVCDNBSA-N 2 2 333.461 0.934 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001022221217 758443412 /nfs/dbraw/zinc/44/34/12/758443412.db2.gz AKZHGWJMRIKQTN-RZFFKMDDSA-N 2 2 331.420 0.773 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001022221217 758443417 /nfs/dbraw/zinc/44/34/17/758443417.db2.gz AKZHGWJMRIKQTN-RZFFKMDDSA-N 2 2 331.420 0.773 20 30 ECEDLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001032201439 759568410 /nfs/dbraw/zinc/56/84/10/759568410.db2.gz DGWKHSXDHREGAH-SFHVURJKSA-N 2 2 342.443 0.827 20 30 ECEDLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001032201439 759568417 /nfs/dbraw/zinc/56/84/17/759568417.db2.gz DGWKHSXDHREGAH-SFHVURJKSA-N 2 2 342.443 0.827 20 30 ECEDLP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046949492 763442874 /nfs/dbraw/zinc/44/28/74/763442874.db2.gz VBIPUFHIJJVACS-QLFBSQMISA-N 2 2 343.418 0.802 20 30 ECEDLP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046949492 763442881 /nfs/dbraw/zinc/44/28/81/763442881.db2.gz VBIPUFHIJJVACS-QLFBSQMISA-N 2 2 343.418 0.802 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046949492 763442888 /nfs/dbraw/zinc/44/28/88/763442888.db2.gz VBIPUFHIJJVACS-QLFBSQMISA-N 2 2 343.418 0.802 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046949492 763442896 /nfs/dbraw/zinc/44/28/96/763442896.db2.gz VBIPUFHIJJVACS-QLFBSQMISA-N 2 2 343.418 0.802 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031404 763632515 /nfs/dbraw/zinc/63/25/15/763632515.db2.gz NBZMXWCHGZYDQO-GBESFXJTSA-N 2 2 346.519 0.959 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031404 763632523 /nfs/dbraw/zinc/63/25/23/763632523.db2.gz NBZMXWCHGZYDQO-GBESFXJTSA-N 2 2 346.519 0.959 20 30 ECEDLP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001052109212 763895421 /nfs/dbraw/zinc/89/54/21/763895421.db2.gz YMCWEFNYWFMWAB-INIZCTEOSA-N 2 2 331.464 0.757 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001052119348 763936259 /nfs/dbraw/zinc/93/62/59/763936259.db2.gz PLCLELBHHUFJKA-RBUKOAKNSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001052119348 763936267 /nfs/dbraw/zinc/93/62/67/763936267.db2.gz PLCLELBHHUFJKA-RBUKOAKNSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001052119315 763936554 /nfs/dbraw/zinc/93/65/54/763936554.db2.gz OXAPRMGONNROOV-QZTJIDSGSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001052119315 763936559 /nfs/dbraw/zinc/93/65/59/763936559.db2.gz OXAPRMGONNROOV-QZTJIDSGSA-N 2 2 332.492 0.713 20 30 ECEDLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083778243 764245130 /nfs/dbraw/zinc/24/51/30/764245130.db2.gz GMDWAWKWWPWAKW-QGTPRVQTSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083778243 764245134 /nfs/dbraw/zinc/24/51/34/764245134.db2.gz GMDWAWKWWPWAKW-QGTPRVQTSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083778243 764245139 /nfs/dbraw/zinc/24/51/39/764245139.db2.gz GMDWAWKWWPWAKW-QGTPRVQTSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083778243 764245144 /nfs/dbraw/zinc/24/51/44/764245144.db2.gz GMDWAWKWWPWAKW-QGTPRVQTSA-N 2 2 342.443 0.704 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001047432660 764330079 /nfs/dbraw/zinc/33/00/79/764330079.db2.gz CSTYKXQFONHQAZ-PVAVHDDUSA-N 2 2 332.448 0.915 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001047432660 764330083 /nfs/dbraw/zinc/33/00/83/764330083.db2.gz CSTYKXQFONHQAZ-PVAVHDDUSA-N 2 2 332.448 0.915 20 30 ECEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334991 764395088 /nfs/dbraw/zinc/39/50/88/764395088.db2.gz SFSVOYFJJNXLLA-IOSBVQAASA-N 2 2 325.840 0.793 20 30 ECEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334991 764395095 /nfs/dbraw/zinc/39/50/95/764395095.db2.gz SFSVOYFJJNXLLA-IOSBVQAASA-N 2 2 325.840 0.793 20 30 ECEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015334991 764395105 /nfs/dbraw/zinc/39/51/05/764395105.db2.gz SFSVOYFJJNXLLA-IOSBVQAASA-N 2 2 325.840 0.793 20 30 ECEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015334991 764395111 /nfs/dbraw/zinc/39/51/11/764395111.db2.gz SFSVOYFJJNXLLA-IOSBVQAASA-N 2 2 325.840 0.793 20 30 ECEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001015357504 764430740 /nfs/dbraw/zinc/43/07/40/764430740.db2.gz PKBMOIIRSOAFMJ-ZACQAIPSSA-N 2 2 337.464 0.633 20 30 ECEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001015357504 764430742 /nfs/dbraw/zinc/43/07/42/764430742.db2.gz PKBMOIIRSOAFMJ-ZACQAIPSSA-N 2 2 337.464 0.633 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098767318 764604365 /nfs/dbraw/zinc/60/43/65/764604365.db2.gz LCSDRUABJDQFMM-MRXNPFEDSA-N 2 2 342.447 0.260 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304920 766080509 /nfs/dbraw/zinc/08/05/09/766080509.db2.gz ISODZJDOLVWICE-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304920 766080513 /nfs/dbraw/zinc/08/05/13/766080513.db2.gz ISODZJDOLVWICE-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304920 766080517 /nfs/dbraw/zinc/08/05/17/766080517.db2.gz ISODZJDOLVWICE-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304920 766080522 /nfs/dbraw/zinc/08/05/22/766080522.db2.gz ISODZJDOLVWICE-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)CC[NH+]1CCOCC1)CCO2 ZINC001053471754 766190579 /nfs/dbraw/zinc/19/05/79/766190579.db2.gz GBARSHLZQMWLIZ-UHFFFAOYSA-N 2 2 337.464 0.588 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046035136 766718231 /nfs/dbraw/zinc/71/82/31/766718231.db2.gz FMZQWFJSZBLSNY-ROUUACIJSA-N 2 2 347.507 0.991 20 30 ECEDLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046035136 766718234 /nfs/dbraw/zinc/71/82/34/766718234.db2.gz FMZQWFJSZBLSNY-ROUUACIJSA-N 2 2 347.507 0.991 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046068740 766863913 /nfs/dbraw/zinc/86/39/13/766863913.db2.gz RWNIUCXJERSVFZ-NVXWUHKLSA-N 2 2 331.464 0.993 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046068740 766863921 /nfs/dbraw/zinc/86/39/21/766863921.db2.gz RWNIUCXJERSVFZ-NVXWUHKLSA-N 2 2 331.464 0.993 20 30 ECEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#CCOC)C[C@H]2OC)CC[N@@H+]1C ZINC001212299957 767188118 /nfs/dbraw/zinc/18/81/18/767188118.db2.gz RVYDNDROHYDUAE-YLFCFFPRSA-N 2 2 337.464 0.182 20 30 ECEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC#CCOC)C[C@H]2OC)CC[N@H+]1C ZINC001212299957 767188120 /nfs/dbraw/zinc/18/81/20/767188120.db2.gz RVYDNDROHYDUAE-YLFCFFPRSA-N 2 2 337.464 0.182 20 30 ECEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC#CCOC)C[C@H]2OC)CC[NH+]1C ZINC001212299957 767188122 /nfs/dbraw/zinc/18/81/22/767188122.db2.gz RVYDNDROHYDUAE-YLFCFFPRSA-N 2 2 337.464 0.182 20 30 ECEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@H]2OC)CC[NH+]1C ZINC001212299957 767188124 /nfs/dbraw/zinc/18/81/24/767188124.db2.gz RVYDNDROHYDUAE-YLFCFFPRSA-N 2 2 337.464 0.182 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)CO2 ZINC001053984628 767533495 /nfs/dbraw/zinc/53/34/95/767533495.db2.gz BKPRXIAMWHYVLF-AWEZNQCLSA-N 2 2 328.416 0.744 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748063 768842980 /nfs/dbraw/zinc/84/29/80/768842980.db2.gz HPMPEYCJLWGMNE-ARFHVFGLSA-N 2 2 332.448 0.922 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748063 768842992 /nfs/dbraw/zinc/84/29/92/768842992.db2.gz HPMPEYCJLWGMNE-ARFHVFGLSA-N 2 2 332.448 0.922 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C(C)C)CC1 ZINC001055522946 768998772 /nfs/dbraw/zinc/99/87/72/768998772.db2.gz XISGZEDBIFGTCC-KRWDZBQOSA-N 2 2 348.491 0.437 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C(C)C)CC1 ZINC001055522946 768998776 /nfs/dbraw/zinc/99/87/76/768998776.db2.gz XISGZEDBIFGTCC-KRWDZBQOSA-N 2 2 348.491 0.437 20 30 ECEDLP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001055597690 769220939 /nfs/dbraw/zinc/22/09/39/769220939.db2.gz BGYQDJRDNHULQH-HOCLYGCPSA-N 2 2 349.479 0.327 20 30 ECEDLP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001055597690 769220942 /nfs/dbraw/zinc/22/09/42/769220942.db2.gz BGYQDJRDNHULQH-HOCLYGCPSA-N 2 2 349.479 0.327 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001018985667 770484170 /nfs/dbraw/zinc/48/41/70/770484170.db2.gz XYMRXFCZYBHVAK-SNPRPXQTSA-N 2 2 331.420 0.727 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001018985667 770484174 /nfs/dbraw/zinc/48/41/74/770484174.db2.gz XYMRXFCZYBHVAK-SNPRPXQTSA-N 2 2 331.420 0.727 20 30 ECEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083749068 770508269 /nfs/dbraw/zinc/50/82/69/770508269.db2.gz FMEBSDRYQIHAGL-MOPGFXCFSA-N 2 2 341.455 0.541 20 30 ECEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CC1 ZINC001083749068 770508271 /nfs/dbraw/zinc/50/82/71/770508271.db2.gz FMEBSDRYQIHAGL-MOPGFXCFSA-N 2 2 341.455 0.541 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001031595167 771365246 /nfs/dbraw/zinc/36/52/46/771365246.db2.gz SKDWITRWUDONED-KRWDZBQOSA-N 2 2 328.416 0.437 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001031595167 771365251 /nfs/dbraw/zinc/36/52/51/771365251.db2.gz SKDWITRWUDONED-KRWDZBQOSA-N 2 2 328.416 0.437 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1 ZINC001020045753 772106130 /nfs/dbraw/zinc/10/61/30/772106130.db2.gz KDGMCLWQVRELLL-ZOBUZTSGSA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1 ZINC001020045753 772106133 /nfs/dbraw/zinc/10/61/33/772106133.db2.gz KDGMCLWQVRELLL-ZOBUZTSGSA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001044972169 774787008 /nfs/dbraw/zinc/78/70/08/774787008.db2.gz LDFMQEYFOGTQCT-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001044972169 774787009 /nfs/dbraw/zinc/78/70/09/774787009.db2.gz LDFMQEYFOGTQCT-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ncccn1 ZINC001045073982 774936276 /nfs/dbraw/zinc/93/62/76/774936276.db2.gz USMHUPBCZVWOMR-HOTGVXAUSA-N 2 2 327.432 0.655 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ncccn1 ZINC001045073982 774936281 /nfs/dbraw/zinc/93/62/81/774936281.db2.gz USMHUPBCZVWOMR-HOTGVXAUSA-N 2 2 327.432 0.655 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001080177655 777507347 /nfs/dbraw/zinc/50/73/47/777507347.db2.gz VLJURKWDGJJBIG-TVFCKZIOSA-N 2 2 349.475 0.326 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001080177655 777507356 /nfs/dbraw/zinc/50/73/56/777507356.db2.gz VLJURKWDGJJBIG-TVFCKZIOSA-N 2 2 349.475 0.326 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001070185388 783615995 /nfs/dbraw/zinc/61/59/95/783615995.db2.gz STMRACAWWXKLLK-KGLIPLIRSA-N 2 2 329.408 0.552 20 30 ECEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070448989 784106646 /nfs/dbraw/zinc/10/66/46/784106646.db2.gz HTCIZGOKIMBJST-CABCVRRESA-N 2 2 344.463 0.314 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001070963271 784242132 /nfs/dbraw/zinc/24/21/32/784242132.db2.gz JZRQNDJYALVZCK-KRWDZBQOSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001070963271 784242139 /nfs/dbraw/zinc/24/21/39/784242139.db2.gz JZRQNDJYALVZCK-KRWDZBQOSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001070963271 784242142 /nfs/dbraw/zinc/24/21/42/784242142.db2.gz JZRQNDJYALVZCK-KRWDZBQOSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001070963271 784242147 /nfs/dbraw/zinc/24/21/47/784242147.db2.gz JZRQNDJYALVZCK-KRWDZBQOSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001070967991 784258688 /nfs/dbraw/zinc/25/86/88/784258688.db2.gz IGRWGSFXZXYXRP-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001070967991 784258690 /nfs/dbraw/zinc/25/86/90/784258690.db2.gz IGRWGSFXZXYXRP-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001070967991 784258698 /nfs/dbraw/zinc/25/86/98/784258698.db2.gz IGRWGSFXZXYXRP-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001070967991 784258699 /nfs/dbraw/zinc/25/86/99/784258699.db2.gz IGRWGSFXZXYXRP-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C[NH+]2CCCC2)n1 ZINC001070599245 784411327 /nfs/dbraw/zinc/41/13/27/784411327.db2.gz PQTUPOQFEIKDON-HOTGVXAUSA-N 2 2 345.447 0.640 20 30 ECEDLP C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)C[NH+]2CCCC2)n1 ZINC001070599245 784411332 /nfs/dbraw/zinc/41/13/32/784411332.db2.gz PQTUPOQFEIKDON-HOTGVXAUSA-N 2 2 345.447 0.640 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070644977 784489041 /nfs/dbraw/zinc/48/90/41/784489041.db2.gz HCLKHMOOCPPJCD-OAGGEKHMSA-N 2 2 344.463 0.700 20 30 ECEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070644977 784489044 /nfs/dbraw/zinc/48/90/44/784489044.db2.gz HCLKHMOOCPPJCD-OAGGEKHMSA-N 2 2 344.463 0.700 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1NCC#N ZINC001070655279 784507036 /nfs/dbraw/zinc/50/70/36/784507036.db2.gz DGLGMKGYUOSFJG-IIAWOOMASA-N 2 2 330.436 0.168 20 30 ECEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071218060 784761320 /nfs/dbraw/zinc/76/13/20/784761320.db2.gz IEEGUOCEGTVPCM-WMZOPIPTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071218060 784761326 /nfs/dbraw/zinc/76/13/26/784761326.db2.gz IEEGUOCEGTVPCM-WMZOPIPTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664493 786910862 /nfs/dbraw/zinc/91/08/62/786910862.db2.gz HPRBXRGWDFNEEQ-WBVHZDCISA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664493 786910870 /nfs/dbraw/zinc/91/08/70/786910870.db2.gz HPRBXRGWDFNEEQ-WBVHZDCISA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664490 786911235 /nfs/dbraw/zinc/91/12/35/786911235.db2.gz HPRBXRGWDFNEEQ-DOTOQJQBSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664490 786911243 /nfs/dbraw/zinc/91/12/43/786911243.db2.gz HPRBXRGWDFNEEQ-DOTOQJQBSA-N 2 2 330.432 0.676 20 30 ECEDLP C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001074581527 787318929 /nfs/dbraw/zinc/31/89/29/787318929.db2.gz BZDLLNBNHMUPST-JCGIZDLHSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001074581527 787318940 /nfs/dbraw/zinc/31/89/40/787318940.db2.gz BZDLLNBNHMUPST-JCGIZDLHSA-N 2 2 342.443 0.968 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCF)CCCO2)CC1 ZINC001073899220 787473863 /nfs/dbraw/zinc/47/38/63/787473863.db2.gz NXFDPPDOJCNTOI-INIZCTEOSA-N 2 2 325.428 0.508 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCF)CCCO2)CC1 ZINC001073899220 787473867 /nfs/dbraw/zinc/47/38/67/787473867.db2.gz NXFDPPDOJCNTOI-INIZCTEOSA-N 2 2 325.428 0.508 20 30 ECEDLP C#CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001075415578 789342834 /nfs/dbraw/zinc/34/28/34/789342834.db2.gz LTUSXKNTRYHBCA-FUHWJXTLSA-N 2 2 330.432 0.961 20 30 ECEDLP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059430 789369354 /nfs/dbraw/zinc/36/93/54/789369354.db2.gz FTRWNDUYAFODEV-UHFFFAOYSA-N 2 2 327.856 0.996 20 30 ECEDLP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059430 789369366 /nfs/dbraw/zinc/36/93/66/789369366.db2.gz FTRWNDUYAFODEV-UHFFFAOYSA-N 2 2 327.856 0.996 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924723 790195082 /nfs/dbraw/zinc/19/50/82/790195082.db2.gz BRWJGAUCOZUVCK-OAGGEKHMSA-N 2 2 332.452 0.678 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924723 790195087 /nfs/dbraw/zinc/19/50/87/790195087.db2.gz BRWJGAUCOZUVCK-OAGGEKHMSA-N 2 2 332.452 0.678 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924723 790195091 /nfs/dbraw/zinc/19/50/91/790195091.db2.gz BRWJGAUCOZUVCK-OAGGEKHMSA-N 2 2 332.452 0.678 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924723 790195095 /nfs/dbraw/zinc/19/50/95/790195095.db2.gz BRWJGAUCOZUVCK-OAGGEKHMSA-N 2 2 332.452 0.678 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001069949096 790229332 /nfs/dbraw/zinc/22/93/32/790229332.db2.gz CFJMWMOQYWLGGN-IKGGRYGDSA-N 2 2 342.447 0.127 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001069949096 790229338 /nfs/dbraw/zinc/22/93/38/790229338.db2.gz CFJMWMOQYWLGGN-IKGGRYGDSA-N 2 2 342.447 0.127 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001069949096 790229341 /nfs/dbraw/zinc/22/93/41/790229341.db2.gz CFJMWMOQYWLGGN-IKGGRYGDSA-N 2 2 342.447 0.127 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)C[C@@H]1n1ccnn1 ZINC001069949096 790229346 /nfs/dbraw/zinc/22/93/46/790229346.db2.gz CFJMWMOQYWLGGN-IKGGRYGDSA-N 2 2 342.447 0.127 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965807 790252045 /nfs/dbraw/zinc/25/20/45/790252045.db2.gz HPYCLULBBYTKLY-ZACQAIPSSA-N 2 2 346.479 0.926 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965807 790252050 /nfs/dbraw/zinc/25/20/50/790252050.db2.gz HPYCLULBBYTKLY-ZACQAIPSSA-N 2 2 346.479 0.926 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965807 790252053 /nfs/dbraw/zinc/25/20/53/790252053.db2.gz HPYCLULBBYTKLY-ZACQAIPSSA-N 2 2 346.479 0.926 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965807 790252057 /nfs/dbraw/zinc/25/20/57/790252057.db2.gz HPYCLULBBYTKLY-ZACQAIPSSA-N 2 2 346.479 0.926 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001267566932 837786290 /nfs/dbraw/zinc/78/62/90/837786290.db2.gz KLLOWXCZDGMPEK-GDBMZVCRSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001267566932 837786295 /nfs/dbraw/zinc/78/62/95/837786295.db2.gz KLLOWXCZDGMPEK-GDBMZVCRSA-N 2 2 345.447 0.567 20 30 ECEDLP C[NH+](C)CCC(=O)NCC[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC001266292460 835636981 /nfs/dbraw/zinc/63/69/81/835636981.db2.gz JGHKTWNVLYBJRG-UHFFFAOYSA-N 2 2 342.487 0.724 20 30 ECEDLP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001266415821 835821787 /nfs/dbraw/zinc/82/17/87/835821787.db2.gz ZHHHIAMQQVHDPA-NVXWUHKLSA-N 2 2 330.432 0.580 20 30 ECEDLP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266473356 835876006 /nfs/dbraw/zinc/87/60/06/835876006.db2.gz ZPYRHRJXRVWPFY-HNNXBMFYSA-N 2 2 345.447 0.180 20 30 ECEDLP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266473356 835876008 /nfs/dbraw/zinc/87/60/08/835876008.db2.gz ZPYRHRJXRVWPFY-HNNXBMFYSA-N 2 2 345.447 0.180 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266601873 836035564 /nfs/dbraw/zinc/03/55/64/836035564.db2.gz OOKWBOVUGNEKST-XGUBFFRZSA-N 2 2 345.447 0.373 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001266860104 836399967 /nfs/dbraw/zinc/39/99/67/836399967.db2.gz XIPXABKIZXXZPX-HOTGVXAUSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001266860104 836399981 /nfs/dbraw/zinc/39/99/81/836399981.db2.gz XIPXABKIZXXZPX-HOTGVXAUSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001266885098 836432278 /nfs/dbraw/zinc/43/22/78/836432278.db2.gz CAZXLGRTWPODRR-GJZGRUSLSA-N 2 2 333.436 0.545 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1nccn1C(F)F ZINC001266948657 836511933 /nfs/dbraw/zinc/51/19/33/836511933.db2.gz FRSHTRPVWARZNJ-STQMWFEESA-N 2 2 339.390 0.970 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1nccn1C(F)F ZINC001266948657 836511945 /nfs/dbraw/zinc/51/19/45/836511945.db2.gz FRSHTRPVWARZNJ-STQMWFEESA-N 2 2 339.390 0.970 20 30 ECEDLP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001267607753 837951234 /nfs/dbraw/zinc/95/12/34/837951234.db2.gz TVSKOSHFIIVKRK-QGZVFWFLSA-N 2 2 343.475 0.545 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001267922115 838797486 /nfs/dbraw/zinc/79/74/86/838797486.db2.gz URCPHYXJHFFOLA-OAHLLOKOSA-N 2 2 345.447 0.239 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)OC)CC1 ZINC000490917754 275382727 /nfs/dbraw/zinc/38/27/27/275382727.db2.gz ZFTRCXTYVGRKIE-CRAIPNDOSA-N 2 2 335.448 0.475 20 30 ECEDLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000072813331 436057423 /nfs/dbraw/zinc/05/74/23/436057423.db2.gz AIVMJYSOAGZUDX-SFHVURJKSA-N 2 2 342.443 0.923 20 30 ECEDLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000072813331 436057427 /nfs/dbraw/zinc/05/74/27/436057427.db2.gz AIVMJYSOAGZUDX-SFHVURJKSA-N 2 2 342.443 0.923 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000081230185 436340406 /nfs/dbraw/zinc/34/04/06/436340406.db2.gz JGJJHFUEACYFCU-KRWDZBQOSA-N 2 2 328.416 0.533 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000081230185 436340408 /nfs/dbraw/zinc/34/04/08/436340408.db2.gz JGJJHFUEACYFCU-KRWDZBQOSA-N 2 2 328.416 0.533 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](c3nc(C)no3)C2)CC1 ZINC000081667195 436354207 /nfs/dbraw/zinc/35/42/07/436354207.db2.gz SYEXNZDERQOJTI-HNNXBMFYSA-N 2 2 331.420 0.335 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)CC1 ZINC000081667195 436354211 /nfs/dbraw/zinc/35/42/11/436354211.db2.gz SYEXNZDERQOJTI-HNNXBMFYSA-N 2 2 331.420 0.335 20 30 ECEDLP CN(CCC#N)C(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000092806492 436476170 /nfs/dbraw/zinc/47/61/70/436476170.db2.gz ILWWCJPEKINPFV-HNNXBMFYSA-N 2 2 335.452 0.163 20 30 ECEDLP CN(CCC#N)C(=O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000092806492 436476175 /nfs/dbraw/zinc/47/61/75/436476175.db2.gz ILWWCJPEKINPFV-HNNXBMFYSA-N 2 2 335.452 0.163 20 30 ECEDLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(c3ncccc3C#N)CC2)CC1 ZINC000093159858 436481735 /nfs/dbraw/zinc/48/17/35/436481735.db2.gz VYWLWARIKVNDGW-UHFFFAOYSA-N 2 2 342.447 0.239 20 30 ECEDLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(c3ncccc3C#N)CC2)CC1 ZINC000093159858 436481738 /nfs/dbraw/zinc/48/17/38/436481738.db2.gz VYWLWARIKVNDGW-UHFFFAOYSA-N 2 2 342.447 0.239 20 30 ECEDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000103492646 436556052 /nfs/dbraw/zinc/55/60/52/436556052.db2.gz RKRBPAJIQNAWML-OAHLLOKOSA-N 2 2 337.468 0.233 20 30 ECEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C(C)C ZINC000272397949 436713926 /nfs/dbraw/zinc/71/39/26/436713926.db2.gz ZBEQEHDVWZOWCY-HUUCEWRRSA-N 2 2 345.509 0.563 20 30 ECEDLP C[NH+](C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccs1 ZINC000264124048 437016145 /nfs/dbraw/zinc/01/61/45/437016145.db2.gz RTMAIJKWTXXLNN-CQSZACIVSA-N 3 2 339.509 0.977 20 30 ECEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329636207 437395752 /nfs/dbraw/zinc/39/57/52/437395752.db2.gz UXSWNWHJRNMLLO-UONOGXRCSA-N 2 2 333.436 0.835 20 30 ECEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329636207 437395756 /nfs/dbraw/zinc/39/57/56/437395756.db2.gz UXSWNWHJRNMLLO-UONOGXRCSA-N 2 2 333.436 0.835 20 30 ECEDLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000330682604 437588271 /nfs/dbraw/zinc/58/82/71/437588271.db2.gz OBHYUDYYGMUXFG-OAHLLOKOSA-N 2 2 339.484 0.481 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000343762985 437650136 /nfs/dbraw/zinc/65/01/36/437650136.db2.gz JKPZLMMLCUAJTF-AWEZNQCLSA-N 2 2 345.447 0.503 20 30 ECEDLP CN(C(=O)CCCC#N)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000362190534 437721157 /nfs/dbraw/zinc/72/11/57/437721157.db2.gz NAHPXJYWCBLMIA-UHFFFAOYSA-N 2 2 349.479 0.377 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906764 438884152 /nfs/dbraw/zinc/88/41/52/438884152.db2.gz NIVUZZQWYNPEMS-KGLIPLIRSA-N 2 2 326.441 0.429 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906764 438884160 /nfs/dbraw/zinc/88/41/60/438884160.db2.gz NIVUZZQWYNPEMS-KGLIPLIRSA-N 2 2 326.441 0.429 20 30 ECEDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567472021 439145906 /nfs/dbraw/zinc/14/59/06/439145906.db2.gz JVVATZCLNGVHJI-INIZCTEOSA-N 2 2 328.420 0.783 20 30 ECEDLP N#CC[C@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000592147014 439164640 /nfs/dbraw/zinc/16/46/40/439164640.db2.gz HOHBIDKVWWZFAV-KRWDZBQOSA-N 2 2 348.472 0.743 20 30 ECEDLP N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000592147014 439164645 /nfs/dbraw/zinc/16/46/45/439164645.db2.gz HOHBIDKVWWZFAV-KRWDZBQOSA-N 2 2 348.472 0.743 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC(N)=O)C2CCCCC2)CC1 ZINC000490938163 439314902 /nfs/dbraw/zinc/31/49/02/439314902.db2.gz WKZQDCJLAQVDBX-MRXNPFEDSA-N 2 2 334.464 0.178 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)CC1 ZINC000490972513 439319705 /nfs/dbraw/zinc/31/97/05/439319705.db2.gz GIZKQLSTDPVGGD-KRWDZBQOSA-N 2 2 349.475 0.818 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)CC1 ZINC000490972513 439319707 /nfs/dbraw/zinc/31/97/07/439319707.db2.gz GIZKQLSTDPVGGD-KRWDZBQOSA-N 2 2 349.475 0.818 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000491037426 439324597 /nfs/dbraw/zinc/32/45/97/439324597.db2.gz DHBVLKCBQMSFBO-MRXNPFEDSA-N 2 2 329.448 0.960 20 30 ECEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000490761026 439296465 /nfs/dbraw/zinc/29/64/65/439296465.db2.gz QUDZOWTXLPDZOM-SFHVURJKSA-N 2 2 332.492 0.428 20 30 ECEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000490761026 439296469 /nfs/dbraw/zinc/29/64/69/439296469.db2.gz QUDZOWTXLPDZOM-SFHVURJKSA-N 2 2 332.492 0.428 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000490761026 439296475 /nfs/dbraw/zinc/29/64/75/439296475.db2.gz QUDZOWTXLPDZOM-SFHVURJKSA-N 2 2 332.492 0.428 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000490761026 439296477 /nfs/dbraw/zinc/29/64/77/439296477.db2.gz QUDZOWTXLPDZOM-SFHVURJKSA-N 2 2 332.492 0.428 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCc3ccc(OC)cc3CC2)CC1 ZINC000490892600 439307840 /nfs/dbraw/zinc/30/78/40/439307840.db2.gz MSFBIDAEFNXHSE-UHFFFAOYSA-N 2 2 341.455 0.873 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCc3ccc(OC)cc3CC2)CC1 ZINC000490892600 439307844 /nfs/dbraw/zinc/30/78/44/439307844.db2.gz MSFBIDAEFNXHSE-UHFFFAOYSA-N 2 2 341.455 0.873 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000490898642 439309386 /nfs/dbraw/zinc/30/93/86/439309386.db2.gz LJLBIFWNZZFJAK-IAGOWNOFSA-N 2 2 329.448 0.543 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000490898642 439309389 /nfs/dbraw/zinc/30/93/89/439309389.db2.gz LJLBIFWNZZFJAK-IAGOWNOFSA-N 2 2 329.448 0.543 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000491387413 439376264 /nfs/dbraw/zinc/37/62/64/439376264.db2.gz XVHFRBSTUARVNW-IEBWSBKVSA-N 2 2 327.428 0.884 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC([C@@H](C)NC(C)=O)CC2)CC1 ZINC000491496279 439394997 /nfs/dbraw/zinc/39/49/97/439394997.db2.gz PGULMMCTIABIJH-OAHLLOKOSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491714644 439433764 /nfs/dbraw/zinc/43/37/64/439433764.db2.gz GZLCFGBZOXOCSK-JSGCOSHPSA-N 2 2 333.354 0.009 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491714644 439433766 /nfs/dbraw/zinc/43/37/66/439433766.db2.gz GZLCFGBZOXOCSK-JSGCOSHPSA-N 2 2 333.354 0.009 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000491792413 439451038 /nfs/dbraw/zinc/45/10/38/439451038.db2.gz FUIOWMBCLBUNNW-QUCCMNQESA-N 2 2 340.471 0.799 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000584232649 439564983 /nfs/dbraw/zinc/56/49/83/439564983.db2.gz IVHPLFQFZUFUHN-QGZVFWFLSA-N 2 2 339.447 0.813 20 30 ECEDLP C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000594803505 439616160 /nfs/dbraw/zinc/61/61/60/439616160.db2.gz PQWJZRLWOLPTHX-UONOGXRCSA-N 2 2 333.502 0.327 20 30 ECEDLP C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000594803505 439616162 /nfs/dbraw/zinc/61/61/62/439616162.db2.gz PQWJZRLWOLPTHX-UONOGXRCSA-N 2 2 333.502 0.327 20 30 ECEDLP C=CCCn1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)nn1 ZINC000653596403 440215636 /nfs/dbraw/zinc/21/56/36/440215636.db2.gz SXVYAOSIDHAYAW-UHFFFAOYSA-N 2 2 335.452 0.513 20 30 ECEDLP C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000644635802 440663999 /nfs/dbraw/zinc/66/39/99/440663999.db2.gz AUZAYYYYXRORDV-AWEZNQCLSA-N 2 2 332.452 0.753 20 30 ECEDLP C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000644635802 440664004 /nfs/dbraw/zinc/66/40/04/440664004.db2.gz AUZAYYYYXRORDV-AWEZNQCLSA-N 2 2 332.452 0.753 20 30 ECEDLP N#Cc1csc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000176852625 320520561 /nfs/dbraw/zinc/52/05/61/320520561.db2.gz IHRPEUKELFAYSD-AWEZNQCLSA-N 2 2 334.445 0.642 20 30 ECEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc3c(-c4nn[nH]n4)cnn3c2)CC1 ZINC000735426953 578383929 /nfs/dbraw/zinc/38/39/29/578383929.db2.gz ZMNQQSWQWILYBA-UHFFFAOYSA-N 2 2 339.407 0.649 20 30 ECEDLP C=CC[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000843076083 589049590 /nfs/dbraw/zinc/04/95/90/589049590.db2.gz DUKQHHMIDMOHQX-SJLPKXTDSA-N 2 2 349.475 0.705 20 30 ECEDLP Cn1ncc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000809995327 587187899 /nfs/dbraw/zinc/18/78/99/587187899.db2.gz PBGSUNMYZBSDEI-UHFFFAOYSA-N 2 2 330.392 0.484 20 30 ECEDLP Cn1nncc1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000809995198 587187939 /nfs/dbraw/zinc/18/79/39/587187939.db2.gz NPHBWOSVIJRBSD-UHFFFAOYSA-N 2 2 330.392 0.484 20 30 ECEDLP C#C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000852128671 589445196 /nfs/dbraw/zinc/44/51/96/589445196.db2.gz WBDKKIKUWYTAGQ-FUHWJXTLSA-N 2 2 348.491 0.883 20 30 ECEDLP C#C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000852128671 589445198 /nfs/dbraw/zinc/44/51/98/589445198.db2.gz WBDKKIKUWYTAGQ-FUHWJXTLSA-N 2 2 348.491 0.883 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856609455 589668359 /nfs/dbraw/zinc/66/83/59/589668359.db2.gz IRKPRYUNZGFLHU-BBWFWOEESA-N 2 2 340.427 0.461 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1Cc2ccc[nH+]c2N2C[C@H](O)C[C@H]2C1 ZINC000856609455 589668361 /nfs/dbraw/zinc/66/83/61/589668361.db2.gz IRKPRYUNZGFLHU-BBWFWOEESA-N 2 2 340.427 0.461 20 30 ECEDLP C#CCC1(O)CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000880477820 590395074 /nfs/dbraw/zinc/39/50/74/590395074.db2.gz VOLHIOJVYLFCBC-UHFFFAOYSA-N 2 2 337.464 0.064 20 30 ECEDLP CCOCC[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876718856 590402595 /nfs/dbraw/zinc/40/25/95/590402595.db2.gz WPJRLESHOIPWKA-SFHVURJKSA-N 2 2 342.443 0.926 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000876971599 590430694 /nfs/dbraw/zinc/43/06/94/590430694.db2.gz BSDUPIVYJSSABA-SJLPKXTDSA-N 2 2 339.443 0.251 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000876971599 590430695 /nfs/dbraw/zinc/43/06/95/590430695.db2.gz BSDUPIVYJSSABA-SJLPKXTDSA-N 2 2 339.443 0.251 20 30 ECEDLP C[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC1 ZINC000878529903 590526509 /nfs/dbraw/zinc/52/65/09/590526509.db2.gz NMKJTOWFIXCYFZ-UHFFFAOYSA-N 2 2 342.447 0.286 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](n3ccnn3)CC2)CC1 ZINC000878939822 590552519 /nfs/dbraw/zinc/55/25/19/590552519.db2.gz BHSKXQJTWGAVHF-INIZCTEOSA-N 2 2 330.436 0.083 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](n3ccnn3)CC2)CC1 ZINC000878939822 590552521 /nfs/dbraw/zinc/55/25/21/590552521.db2.gz BHSKXQJTWGAVHF-INIZCTEOSA-N 2 2 330.436 0.083 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000884311602 590801664 /nfs/dbraw/zinc/80/16/64/590801664.db2.gz HARHLBWIIIEUOX-INIZCTEOSA-N 2 2 346.431 0.609 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450202 590831723 /nfs/dbraw/zinc/83/17/23/590831723.db2.gz AQVMPKAIJSCYMA-NXOAAHMSSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450202 590831726 /nfs/dbraw/zinc/83/17/26/590831726.db2.gz AQVMPKAIJSCYMA-NXOAAHMSSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450202 590831731 /nfs/dbraw/zinc/83/17/31/590831731.db2.gz AQVMPKAIJSCYMA-NXOAAHMSSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450202 590831733 /nfs/dbraw/zinc/83/17/33/590831733.db2.gz AQVMPKAIJSCYMA-NXOAAHMSSA-N 2 2 336.480 0.881 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000887622030 590983311 /nfs/dbraw/zinc/98/33/11/590983311.db2.gz FSYLRCHMKUCENK-UHFFFAOYSA-N 2 2 331.424 0.098 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000887622030 590983314 /nfs/dbraw/zinc/98/33/14/590983314.db2.gz FSYLRCHMKUCENK-UHFFFAOYSA-N 2 2 331.424 0.098 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000890370991 591155233 /nfs/dbraw/zinc/15/52/33/591155233.db2.gz KAEQUJVNSRAWFW-ROUUACIJSA-N 2 2 348.491 0.980 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000890370991 591155237 /nfs/dbraw/zinc/15/52/37/591155237.db2.gz KAEQUJVNSRAWFW-ROUUACIJSA-N 2 2 348.491 0.980 20 30 ECEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC000949529521 608740116 /nfs/dbraw/zinc/74/01/16/608740116.db2.gz XYIJCOASOGZYRL-QGZVFWFLSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC000949529521 608740118 /nfs/dbraw/zinc/74/01/18/608740118.db2.gz XYIJCOASOGZYRL-QGZVFWFLSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)o3)[C@@H](C)C2)CC1 ZINC000939812456 610137472 /nfs/dbraw/zinc/13/74/72/610137472.db2.gz WPSXFDVYDNEGPU-BBRMVZONSA-N 2 2 345.447 0.660 20 30 ECEDLP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000834506754 611288834 /nfs/dbraw/zinc/28/88/34/611288834.db2.gz VPBKOXHUSHFFJC-RYUDHWBXSA-N 2 2 326.316 0.622 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nncn1C ZINC001024987605 738461724 /nfs/dbraw/zinc/46/17/24/738461724.db2.gz NOLIXZCWBRZEPP-CVEARBPZSA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nncn1C ZINC001024987605 738461728 /nfs/dbraw/zinc/46/17/28/738461728.db2.gz NOLIXZCWBRZEPP-CVEARBPZSA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001024987331 738462002 /nfs/dbraw/zinc/46/20/02/738462002.db2.gz IPTTYHQORRSBGA-CVEARBPZSA-N 2 2 344.463 0.681 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001024987331 738462003 /nfs/dbraw/zinc/46/20/03/738462003.db2.gz IPTTYHQORRSBGA-CVEARBPZSA-N 2 2 344.463 0.681 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3ccn(C)n3)C2)CC1 ZINC000970923929 734090298 /nfs/dbraw/zinc/09/02/98/734090298.db2.gz IHMZSVCISLJUMC-HNNXBMFYSA-N 2 2 343.475 0.702 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CC(=C)C)CCO2 ZINC000972416871 736154718 /nfs/dbraw/zinc/15/47/18/736154718.db2.gz LHDXXQVJLUXAHT-HKUYNNGSSA-N 2 2 331.460 0.963 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CC(=C)C)CCO2 ZINC000972416871 736154720 /nfs/dbraw/zinc/15/47/20/736154720.db2.gz LHDXXQVJLUXAHT-HKUYNNGSSA-N 2 2 331.460 0.963 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CC(=C)C)CCO2 ZINC000972416871 736154721 /nfs/dbraw/zinc/15/47/21/736154721.db2.gz LHDXXQVJLUXAHT-HKUYNNGSSA-N 2 2 331.460 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CC(=C)C)CCO2 ZINC000972416871 736154723 /nfs/dbraw/zinc/15/47/23/736154723.db2.gz LHDXXQVJLUXAHT-HKUYNNGSSA-N 2 2 331.460 0.963 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001023424111 736806677 /nfs/dbraw/zinc/80/66/77/736806677.db2.gz OGNWXRBJNWNBNL-AEFFLSMTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC001023424111 736806678 /nfs/dbraw/zinc/80/66/78/736806678.db2.gz OGNWXRBJNWNBNL-AEFFLSMTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2ccn(C)n2)C1 ZINC001023424111 736806680 /nfs/dbraw/zinc/80/66/80/736806680.db2.gz OGNWXRBJNWNBNL-AEFFLSMTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2ccn(C)n2)C1 ZINC001023424111 736806681 /nfs/dbraw/zinc/80/66/81/736806681.db2.gz OGNWXRBJNWNBNL-AEFFLSMTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972617111 737105073 /nfs/dbraw/zinc/10/50/73/737105073.db2.gz MLRHRBWPDMHLLO-GOSISDBHSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972617111 737105075 /nfs/dbraw/zinc/10/50/75/737105075.db2.gz MLRHRBWPDMHLLO-GOSISDBHSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)C[N@H+](CC#CC)CCO3)CC1 ZINC000972689770 737388891 /nfs/dbraw/zinc/38/88/91/737388891.db2.gz ZPVAJVPKRHQLNP-HXUWFJFHSA-N 2 2 343.471 0.658 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)C[N@@H+](CC#CC)CCO3)CC1 ZINC000972689770 737388894 /nfs/dbraw/zinc/38/88/94/737388894.db2.gz ZPVAJVPKRHQLNP-HXUWFJFHSA-N 2 2 343.471 0.658 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001024022037 737626509 /nfs/dbraw/zinc/62/65/09/737626509.db2.gz OTKRTAMMRDDRDY-CVEARBPZSA-N 2 2 344.463 0.539 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001024022037 737626512 /nfs/dbraw/zinc/62/65/12/737626512.db2.gz OTKRTAMMRDDRDY-CVEARBPZSA-N 2 2 344.463 0.539 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(CO)cc1 ZINC001038369936 741343715 /nfs/dbraw/zinc/34/37/15/741343715.db2.gz YBFOEUKEXKWPLG-MOPGFXCFSA-N 2 2 341.455 0.967 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(CO)cc1 ZINC001038369936 741343719 /nfs/dbraw/zinc/34/37/19/741343719.db2.gz YBFOEUKEXKWPLG-MOPGFXCFSA-N 2 2 341.455 0.967 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(CO)cc1 ZINC001038369936 741343724 /nfs/dbraw/zinc/34/37/24/741343724.db2.gz YBFOEUKEXKWPLG-MOPGFXCFSA-N 2 2 341.455 0.967 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1ccc(CO)cc1 ZINC001038369936 741343728 /nfs/dbraw/zinc/34/37/28/741343728.db2.gz YBFOEUKEXKWPLG-MOPGFXCFSA-N 2 2 341.455 0.967 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001105276159 741628588 /nfs/dbraw/zinc/62/85/88/741628588.db2.gz AOXSDEYPYMODAW-UHFFFAOYSA-N 2 2 342.447 0.403 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)nn1 ZINC001105312604 741731203 /nfs/dbraw/zinc/73/12/03/741731203.db2.gz UGMVWLAUCHHJQM-INIZCTEOSA-N 2 2 348.451 0.046 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)nn1 ZINC001105312604 741731207 /nfs/dbraw/zinc/73/12/07/741731207.db2.gz UGMVWLAUCHHJQM-INIZCTEOSA-N 2 2 348.451 0.046 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)nn1 ZINC001105328583 741821055 /nfs/dbraw/zinc/82/10/55/741821055.db2.gz LNLBJMWNBNVZCH-UHFFFAOYSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001105328583 741821059 /nfs/dbraw/zinc/82/10/59/741821059.db2.gz LNLBJMWNBNVZCH-UHFFFAOYSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCn2cncn2)CC1(C)C ZINC000974687163 742003435 /nfs/dbraw/zinc/00/34/35/742003435.db2.gz RGGUUKNTDBQYNC-HOTGVXAUSA-N 2 2 344.463 0.202 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCn2cncn2)CC1(C)C ZINC000974687163 742003440 /nfs/dbraw/zinc/00/34/40/742003440.db2.gz RGGUUKNTDBQYNC-HOTGVXAUSA-N 2 2 344.463 0.202 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCn2cncn2)CC1(C)C ZINC000974687163 742003444 /nfs/dbraw/zinc/00/34/44/742003444.db2.gz RGGUUKNTDBQYNC-HOTGVXAUSA-N 2 2 344.463 0.202 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCn2cncn2)CC1(C)C ZINC000974687163 742003448 /nfs/dbraw/zinc/00/34/48/742003448.db2.gz RGGUUKNTDBQYNC-HOTGVXAUSA-N 2 2 344.463 0.202 20 30 ECEDLP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001105334742 742108551 /nfs/dbraw/zinc/10/85/51/742108551.db2.gz MFSLKGWLFDRPAB-UHFFFAOYSA-N 2 2 329.408 0.683 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3ncccn3)C2)CC1 ZINC001029003001 743155680 /nfs/dbraw/zinc/15/56/80/743155680.db2.gz GKWFRLHIORKWFF-MRXNPFEDSA-N 2 2 341.459 0.760 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3ncccn3)C2)CC1 ZINC001029003001 743155682 /nfs/dbraw/zinc/15/56/82/743155682.db2.gz GKWFRLHIORKWFF-MRXNPFEDSA-N 2 2 341.459 0.760 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1=O ZINC000977646723 745332221 /nfs/dbraw/zinc/33/22/21/745332221.db2.gz NFIQXNCMXJFIRG-CABCVRRESA-N 2 2 345.447 0.497 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1=O ZINC000977646723 745332227 /nfs/dbraw/zinc/33/22/27/745332227.db2.gz NFIQXNCMXJFIRG-CABCVRRESA-N 2 2 345.447 0.497 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nonc2C)C1 ZINC000983906099 745487542 /nfs/dbraw/zinc/48/75/42/745487542.db2.gz QOJGVZVXZDMOKR-DZKIICNBSA-N 2 2 331.420 0.460 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nonc2C)C1 ZINC000983906099 745487544 /nfs/dbraw/zinc/48/75/44/745487544.db2.gz QOJGVZVXZDMOKR-DZKIICNBSA-N 2 2 331.420 0.460 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004186 752041139 /nfs/dbraw/zinc/04/11/39/752041139.db2.gz USQYSXYZKDHVOB-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004186 752041144 /nfs/dbraw/zinc/04/11/44/752041144.db2.gz USQYSXYZKDHVOB-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004186 752041145 /nfs/dbraw/zinc/04/11/45/752041145.db2.gz USQYSXYZKDHVOB-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004186 752041152 /nfs/dbraw/zinc/04/11/52/752041152.db2.gz USQYSXYZKDHVOB-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001001052913 746019494 /nfs/dbraw/zinc/01/94/94/746019494.db2.gz QICAVUCHRBEDTO-GJZGRUSLSA-N 2 2 331.420 0.251 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]21 ZINC000978287959 746129699 /nfs/dbraw/zinc/12/96/99/746129699.db2.gz ZSGJQUROCARZEV-FJIDUMEYSA-N 2 2 341.459 0.312 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]21 ZINC000978287959 746129701 /nfs/dbraw/zinc/12/97/01/746129701.db2.gz ZSGJQUROCARZEV-FJIDUMEYSA-N 2 2 341.459 0.312 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccn(C)n3)C[C@H]21 ZINC000978287959 746129703 /nfs/dbraw/zinc/12/97/03/746129703.db2.gz ZSGJQUROCARZEV-FJIDUMEYSA-N 2 2 341.459 0.312 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccn(C)n3)C[C@H]21 ZINC000978287959 746129705 /nfs/dbraw/zinc/12/97/05/746129705.db2.gz ZSGJQUROCARZEV-FJIDUMEYSA-N 2 2 341.459 0.312 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001027702235 746915633 /nfs/dbraw/zinc/91/56/33/746915633.db2.gz YNEUSYDCJQATNN-HZPDHXFCSA-N 2 2 345.447 0.593 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001027702235 746915637 /nfs/dbraw/zinc/91/56/37/746915637.db2.gz YNEUSYDCJQATNN-HZPDHXFCSA-N 2 2 345.447 0.593 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC001003056817 748125614 /nfs/dbraw/zinc/12/56/14/748125614.db2.gz UEPUWDDEOVTZCX-SFHVURJKSA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC001003056817 748125618 /nfs/dbraw/zinc/12/56/18/748125618.db2.gz UEPUWDDEOVTZCX-SFHVURJKSA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ncccn2)C1 ZINC001029758050 748271343 /nfs/dbraw/zinc/27/13/43/748271343.db2.gz PRULYFFJRZUBHY-IRXDYDNUSA-N 2 2 341.459 0.855 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ncccn2)C1 ZINC001029758050 748271345 /nfs/dbraw/zinc/27/13/45/748271345.db2.gz PRULYFFJRZUBHY-IRXDYDNUSA-N 2 2 341.459 0.855 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2ncccn2)C1 ZINC001029758050 748271346 /nfs/dbraw/zinc/27/13/46/748271346.db2.gz PRULYFFJRZUBHY-IRXDYDNUSA-N 2 2 341.459 0.855 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2ncccn2)C1 ZINC001029758050 748271349 /nfs/dbraw/zinc/27/13/49/748271349.db2.gz PRULYFFJRZUBHY-IRXDYDNUSA-N 2 2 341.459 0.855 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001028601045 753877767 /nfs/dbraw/zinc/87/77/67/753877767.db2.gz HUSWZARYISJZRU-WMZOPIPTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001028601045 753877773 /nfs/dbraw/zinc/87/77/73/753877773.db2.gz HUSWZARYISJZRU-WMZOPIPTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001028601045 753877780 /nfs/dbraw/zinc/87/77/80/753877780.db2.gz HUSWZARYISJZRU-WMZOPIPTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001028601045 753877786 /nfs/dbraw/zinc/87/77/86/753877786.db2.gz HUSWZARYISJZRU-WMZOPIPTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3cncn3C)C2)CC1 ZINC001009630448 755092278 /nfs/dbraw/zinc/09/22/78/755092278.db2.gz VXDHHHMJPPBNSU-KRWDZBQOSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3cncn3C)C2)CC1 ZINC001009630448 755092280 /nfs/dbraw/zinc/09/22/80/755092280.db2.gz VXDHHHMJPPBNSU-KRWDZBQOSA-N 2 2 343.475 0.846 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472670 755591908 /nfs/dbraw/zinc/59/19/08/755591908.db2.gz KUNJCPBPEPBWCR-OWYHZJEWSA-N 2 2 341.455 0.540 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2O)CC[N@H+]1C ZINC001083472670 755591911 /nfs/dbraw/zinc/59/19/11/755591911.db2.gz KUNJCPBPEPBWCR-OWYHZJEWSA-N 2 2 341.455 0.540 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001083472670 755591915 /nfs/dbraw/zinc/59/19/15/755591915.db2.gz KUNJCPBPEPBWCR-OWYHZJEWSA-N 2 2 341.455 0.540 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2O)CC[NH+]1C ZINC001083472670 755591918 /nfs/dbraw/zinc/59/19/18/755591918.db2.gz KUNJCPBPEPBWCR-OWYHZJEWSA-N 2 2 341.455 0.540 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C3CC3)[NH+](C)C)nn2)C1 ZINC001107179512 757295072 /nfs/dbraw/zinc/29/50/72/757295072.db2.gz LMWHIAJDCITELY-MRXNPFEDSA-N 2 2 330.436 0.115 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C3([NH+](C)C)CCC3)nn2)C1 ZINC001107179657 757295438 /nfs/dbraw/zinc/29/54/38/757295438.db2.gz PIYPEUWGHYEPHU-UHFFFAOYSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001077159296 758378078 /nfs/dbraw/zinc/37/80/78/758378078.db2.gz XWLKWNARIUYNHE-IXDOHACOSA-N 2 2 333.476 0.682 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H]1O ZINC001077159296 758378087 /nfs/dbraw/zinc/37/80/87/758378087.db2.gz XWLKWNARIUYNHE-IXDOHACOSA-N 2 2 333.476 0.682 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1O ZINC001077159296 758378095 /nfs/dbraw/zinc/37/80/95/758378095.db2.gz XWLKWNARIUYNHE-IXDOHACOSA-N 2 2 333.476 0.682 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@H]1O ZINC001077159296 758378102 /nfs/dbraw/zinc/37/81/02/758378102.db2.gz XWLKWNARIUYNHE-IXDOHACOSA-N 2 2 333.476 0.682 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996685481 758468428 /nfs/dbraw/zinc/46/84/28/758468428.db2.gz PUKIAFVMFYIFLG-AWEZNQCLSA-N 2 2 333.461 0.716 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772061 758547630 /nfs/dbraw/zinc/54/76/30/758547630.db2.gz CHRSUZWYOGHHPG-SWLSCSKDSA-N 2 2 348.451 0.187 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772061 758547637 /nfs/dbraw/zinc/54/76/37/758547637.db2.gz CHRSUZWYOGHHPG-SWLSCSKDSA-N 2 2 348.451 0.187 20 30 ECEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083645547 760337501 /nfs/dbraw/zinc/33/75/01/760337501.db2.gz GLDNQVPQPPOXJS-SJORKVTESA-N 2 2 339.399 0.425 20 30 ECEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083645547 760337510 /nfs/dbraw/zinc/33/75/10/760337510.db2.gz GLDNQVPQPPOXJS-SJORKVTESA-N 2 2 339.399 0.425 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000995913851 760809239 /nfs/dbraw/zinc/80/92/39/760809239.db2.gz ATIPQPGWCKGBJX-GJZGRUSLSA-N 2 2 344.463 0.239 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000995913851 760809251 /nfs/dbraw/zinc/80/92/51/760809251.db2.gz ATIPQPGWCKGBJX-GJZGRUSLSA-N 2 2 344.463 0.239 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001050984814 761275551 /nfs/dbraw/zinc/27/55/51/761275551.db2.gz BYXDMNUTRSSKIN-OWCLPIDISA-N 2 2 325.453 0.489 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001050984814 761275554 /nfs/dbraw/zinc/27/55/54/761275554.db2.gz BYXDMNUTRSSKIN-OWCLPIDISA-N 2 2 325.453 0.489 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001050984814 761275557 /nfs/dbraw/zinc/27/55/57/761275557.db2.gz BYXDMNUTRSSKIN-OWCLPIDISA-N 2 2 325.453 0.489 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001050984814 761275561 /nfs/dbraw/zinc/27/55/61/761275561.db2.gz BYXDMNUTRSSKIN-OWCLPIDISA-N 2 2 325.453 0.489 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001046901630 763348508 /nfs/dbraw/zinc/34/85/08/763348508.db2.gz VDMMTACZSSSYNX-KSSFIOAISA-N 2 2 345.447 0.567 20 30 ECEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)c1 ZINC001051947932 763419647 /nfs/dbraw/zinc/41/96/47/763419647.db2.gz GAQUFMMUKQWBSH-QGZVFWFLSA-N 2 2 339.399 0.772 20 30 ECEDLP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046948894 763441395 /nfs/dbraw/zinc/44/13/95/763441395.db2.gz ORSZJYHVVDFXAL-MGPQQGTHSA-N 2 2 331.407 0.965 20 30 ECEDLP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046948894 763441400 /nfs/dbraw/zinc/44/14/00/763441400.db2.gz ORSZJYHVVDFXAL-MGPQQGTHSA-N 2 2 331.407 0.965 20 30 ECEDLP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046948894 763441404 /nfs/dbraw/zinc/44/14/04/763441404.db2.gz ORSZJYHVVDFXAL-MGPQQGTHSA-N 2 2 331.407 0.965 20 30 ECEDLP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046948894 763441409 /nfs/dbraw/zinc/44/14/09/763441409.db2.gz ORSZJYHVVDFXAL-MGPQQGTHSA-N 2 2 331.407 0.965 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001052025431 763616297 /nfs/dbraw/zinc/61/62/97/763616297.db2.gz DIDAOYHXCSENED-MSOLQXFVSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001052025431 763616303 /nfs/dbraw/zinc/61/63/03/763616303.db2.gz DIDAOYHXCSENED-MSOLQXFVSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001052025431 763616309 /nfs/dbraw/zinc/61/63/09/763616309.db2.gz DIDAOYHXCSENED-MSOLQXFVSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001052025431 763616315 /nfs/dbraw/zinc/61/63/15/763616315.db2.gz DIDAOYHXCSENED-MSOLQXFVSA-N 2 2 332.492 0.711 20 30 ECEDLP CC(C)(C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)[NH+]1CCCCC1 ZINC001052028614 763623262 /nfs/dbraw/zinc/62/32/62/763623262.db2.gz QYEPWJWDTWJCLO-KRWDZBQOSA-N 2 2 347.507 0.993 20 30 ECEDLP CC(C)(C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)[NH+]1CCCCC1 ZINC001052028618 763625375 /nfs/dbraw/zinc/62/53/75/763625375.db2.gz QYEPWJWDTWJCLO-QGZVFWFLSA-N 2 2 347.507 0.993 20 30 ECEDLP N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001052056860 763728740 /nfs/dbraw/zinc/72/87/40/763728740.db2.gz IBPXCVZNCXMAFJ-ROUUACIJSA-N 2 2 345.491 0.603 20 30 ECEDLP CC(C)(C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)[NH+]1CCCC1 ZINC001052060457 763739481 /nfs/dbraw/zinc/73/94/81/763739481.db2.gz FBHBCXQSJYUTJG-MRXNPFEDSA-N 2 2 333.480 0.603 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001047527343 764597697 /nfs/dbraw/zinc/59/76/97/764597697.db2.gz CUEWQDIOLMGULZ-MPGHIAIKSA-N 2 2 339.455 0.726 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001047527343 764597704 /nfs/dbraw/zinc/59/77/04/764597704.db2.gz CUEWQDIOLMGULZ-MPGHIAIKSA-N 2 2 339.455 0.726 20 30 ECEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047527343 764597719 /nfs/dbraw/zinc/59/77/19/764597719.db2.gz CUEWQDIOLMGULZ-MPGHIAIKSA-N 2 2 339.455 0.726 20 30 ECEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047580893 764764479 /nfs/dbraw/zinc/76/44/79/764764479.db2.gz ADDHJNQYEBRVAL-HOTGVXAUSA-N 2 2 325.372 0.018 20 30 ECEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047580893 764764482 /nfs/dbraw/zinc/76/44/82/764764482.db2.gz ADDHJNQYEBRVAL-HOTGVXAUSA-N 2 2 325.372 0.018 20 30 ECEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001047586512 764785697 /nfs/dbraw/zinc/78/56/97/764785697.db2.gz XUMOOAZDIGMIIL-IRXDYDNUSA-N 2 2 339.399 0.408 20 30 ECEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001047586512 764785701 /nfs/dbraw/zinc/78/57/01/764785701.db2.gz XUMOOAZDIGMIIL-IRXDYDNUSA-N 2 2 339.399 0.408 20 30 ECEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001047593483 764813419 /nfs/dbraw/zinc/81/34/19/764813419.db2.gz JIDFZFDDCRCEEA-IRXDYDNUSA-N 2 2 339.399 0.408 20 30 ECEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001047593483 764813424 /nfs/dbraw/zinc/81/34/24/764813424.db2.gz JIDFZFDDCRCEEA-IRXDYDNUSA-N 2 2 339.399 0.408 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)nn1 ZINC001098773380 764872847 /nfs/dbraw/zinc/87/28/47/764872847.db2.gz AXRHDHXBVPWSGY-MRXNPFEDSA-N 2 2 332.452 0.506 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001046027873 766688229 /nfs/dbraw/zinc/68/82/29/766688229.db2.gz PURFCSCUUDFLBE-MRXNPFEDSA-N 2 2 329.448 0.584 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001046027873 766688232 /nfs/dbraw/zinc/68/82/32/766688232.db2.gz PURFCSCUUDFLBE-MRXNPFEDSA-N 2 2 329.448 0.584 20 30 ECEDLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046036916 766729913 /nfs/dbraw/zinc/72/99/13/766729913.db2.gz PFJKFOJFWITLRO-DLBZAZTESA-N 2 2 333.480 0.603 20 30 ECEDLP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046036916 766729918 /nfs/dbraw/zinc/72/99/18/766729918.db2.gz PFJKFOJFWITLRO-DLBZAZTESA-N 2 2 333.480 0.603 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218005 767082340 /nfs/dbraw/zinc/08/23/40/767082340.db2.gz JAXNMSLHMFERFB-HKUYNNGSSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218005 767082351 /nfs/dbraw/zinc/08/23/51/767082351.db2.gz JAXNMSLHMFERFB-HKUYNNGSSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218005 767082361 /nfs/dbraw/zinc/08/23/61/767082361.db2.gz JAXNMSLHMFERFB-HKUYNNGSSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218005 767082370 /nfs/dbraw/zinc/08/23/70/767082370.db2.gz JAXNMSLHMFERFB-HKUYNNGSSA-N 2 2 342.443 0.969 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)CO2 ZINC001054014676 767601718 /nfs/dbraw/zinc/60/17/18/767601718.db2.gz PRRRMGZQQWWMQI-CVEARBPZSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)CO2 ZINC001054014676 767601722 /nfs/dbraw/zinc/60/17/22/767601722.db2.gz PRRRMGZQQWWMQI-CVEARBPZSA-N 2 2 337.464 0.633 20 30 ECEDLP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001055597691 769221084 /nfs/dbraw/zinc/22/10/84/769221084.db2.gz BGYQDJRDNHULQH-ZBFHGGJFSA-N 2 2 349.479 0.327 20 30 ECEDLP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001055597691 769221086 /nfs/dbraw/zinc/22/10/86/769221086.db2.gz BGYQDJRDNHULQH-ZBFHGGJFSA-N 2 2 349.479 0.327 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001018985833 770484515 /nfs/dbraw/zinc/48/45/15/770484515.db2.gz IBYBCFXDGBTCHH-GJZGRUSLSA-N 2 2 343.431 0.735 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001018985833 770484520 /nfs/dbraw/zinc/48/45/20/770484520.db2.gz IBYBCFXDGBTCHH-GJZGRUSLSA-N 2 2 343.431 0.735 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nccc(C)n2)C1 ZINC001018986361 770486822 /nfs/dbraw/zinc/48/68/22/770486822.db2.gz ZUVQPERQNWFVPW-HOTGVXAUSA-N 2 2 327.432 0.573 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nccc(C)n2)C1 ZINC001018986361 770486825 /nfs/dbraw/zinc/48/68/25/770486825.db2.gz ZUVQPERQNWFVPW-HOTGVXAUSA-N 2 2 327.432 0.573 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001019707560 771723463 /nfs/dbraw/zinc/72/34/63/771723463.db2.gz KXKTWJMSHHNRMP-UONOGXRCSA-N 2 2 331.420 0.238 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001045321193 775408640 /nfs/dbraw/zinc/40/86/40/775408640.db2.gz FVBCWZXMDIQXIW-INIZCTEOSA-N 2 2 344.463 0.539 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001042960535 781102707 /nfs/dbraw/zinc/10/27/07/781102707.db2.gz PTJNGTNVQUYUJA-WBVHZDCISA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H]2CCNC(=O)CC2)C1 ZINC001042960535 781102709 /nfs/dbraw/zinc/10/27/09/781102709.db2.gz PTJNGTNVQUYUJA-WBVHZDCISA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070286081 783792286 /nfs/dbraw/zinc/79/22/86/783792286.db2.gz XDVOPIBWOYCVJK-ZNMIVQPWSA-N 2 2 327.392 0.101 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403372 783979768 /nfs/dbraw/zinc/97/97/68/783979768.db2.gz QYFCVWRIWMIAAN-ZBFHGGJFSA-N 2 2 345.447 0.169 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403372 783979770 /nfs/dbraw/zinc/97/97/70/783979770.db2.gz QYFCVWRIWMIAAN-ZBFHGGJFSA-N 2 2 345.447 0.169 20 30 ECEDLP CC#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070403372 783979775 /nfs/dbraw/zinc/97/97/75/783979775.db2.gz QYFCVWRIWMIAAN-ZBFHGGJFSA-N 2 2 345.447 0.169 20 30 ECEDLP CC#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070403372 783979780 /nfs/dbraw/zinc/97/97/80/783979780.db2.gz QYFCVWRIWMIAAN-ZBFHGGJFSA-N 2 2 345.447 0.169 20 30 ECEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001070963294 784243132 /nfs/dbraw/zinc/24/31/32/784243132.db2.gz KMIGDTLYZJIQNC-IAGOWNOFSA-N 2 2 348.491 0.697 20 30 ECEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001070963294 784243137 /nfs/dbraw/zinc/24/31/37/784243137.db2.gz KMIGDTLYZJIQNC-IAGOWNOFSA-N 2 2 348.491 0.697 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001070963294 784243142 /nfs/dbraw/zinc/24/31/42/784243142.db2.gz KMIGDTLYZJIQNC-IAGOWNOFSA-N 2 2 348.491 0.697 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001070963294 784243148 /nfs/dbraw/zinc/24/31/48/784243148.db2.gz KMIGDTLYZJIQNC-IAGOWNOFSA-N 2 2 348.491 0.697 20 30 ECEDLP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001070979859 784305052 /nfs/dbraw/zinc/30/50/52/784305052.db2.gz BOUYEKLRVYFCKS-UHFFFAOYSA-N 2 2 347.463 0.808 20 30 ECEDLP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001070979859 784305061 /nfs/dbraw/zinc/30/50/61/784305061.db2.gz BOUYEKLRVYFCKS-UHFFFAOYSA-N 2 2 347.463 0.808 20 30 ECEDLP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001071018293 784431435 /nfs/dbraw/zinc/43/14/35/784431435.db2.gz KMRURQMIEOPRLW-UHFFFAOYSA-N 2 2 347.463 0.579 20 30 ECEDLP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001071018293 784431439 /nfs/dbraw/zinc/43/14/39/784431439.db2.gz KMRURQMIEOPRLW-UHFFFAOYSA-N 2 2 347.463 0.579 20 30 ECEDLP C[C@H]1C[C@@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)CC[N@@H+]1C ZINC001070682359 784546505 /nfs/dbraw/zinc/54/65/05/784546505.db2.gz XLXBWGIEZFCQEF-CAOSSQGBSA-N 2 2 344.463 0.558 20 30 ECEDLP C[C@H]1C[C@@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)CC[N@H+]1C ZINC001070682359 784546512 /nfs/dbraw/zinc/54/65/12/784546512.db2.gz XLXBWGIEZFCQEF-CAOSSQGBSA-N 2 2 344.463 0.558 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741268 787097435 /nfs/dbraw/zinc/09/74/35/787097435.db2.gz QVZQSUXFDYWMBR-DLBZAZTESA-N 2 2 337.464 0.326 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741268 787097444 /nfs/dbraw/zinc/09/74/44/787097444.db2.gz QVZQSUXFDYWMBR-DLBZAZTESA-N 2 2 337.464 0.326 20 30 ECEDLP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073741268 787097452 /nfs/dbraw/zinc/09/74/52/787097452.db2.gz QVZQSUXFDYWMBR-DLBZAZTESA-N 2 2 337.464 0.326 20 30 ECEDLP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073741268 787097461 /nfs/dbraw/zinc/09/74/61/787097461.db2.gz QVZQSUXFDYWMBR-DLBZAZTESA-N 2 2 337.464 0.326 20 30 ECEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764629 787157642 /nfs/dbraw/zinc/15/76/42/787157642.db2.gz IXQCICWISFQTCX-WBVHZDCISA-N 2 2 330.432 0.594 20 30 ECEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764629 787157645 /nfs/dbraw/zinc/15/76/45/787157645.db2.gz IXQCICWISFQTCX-WBVHZDCISA-N 2 2 330.432 0.594 20 30 ECEDLP C#CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001075417588 789346060 /nfs/dbraw/zinc/34/60/60/789346060.db2.gz LDVJOXLMIXDOKE-FUHWJXTLSA-N 2 2 330.432 0.892 20 30 ECEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959521 790241674 /nfs/dbraw/zinc/24/16/74/790241674.db2.gz ZVOGUSANGSYWML-PMPSAXMXSA-N 2 2 330.436 0.127 20 30 ECEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959521 790241683 /nfs/dbraw/zinc/24/16/83/790241683.db2.gz ZVOGUSANGSYWML-PMPSAXMXSA-N 2 2 330.436 0.127 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069959521 790241686 /nfs/dbraw/zinc/24/16/86/790241686.db2.gz ZVOGUSANGSYWML-PMPSAXMXSA-N 2 2 330.436 0.127 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069959521 790241692 /nfs/dbraw/zinc/24/16/92/790241692.db2.gz ZVOGUSANGSYWML-PMPSAXMXSA-N 2 2 330.436 0.127 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267455409 837440222 /nfs/dbraw/zinc/44/02/22/837440222.db2.gz ZGGKWCXXXFAKQO-HZPDHXFCSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267455409 837440224 /nfs/dbraw/zinc/44/02/24/837440224.db2.gz ZGGKWCXXXFAKQO-HZPDHXFCSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267455409 837440247 /nfs/dbraw/zinc/44/02/47/837440247.db2.gz ZGGKWCXXXFAKQO-HZPDHXFCSA-N 2 2 336.480 0.696 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001267567784 837788547 /nfs/dbraw/zinc/78/85/47/837788547.db2.gz OWVDIUPBQCVBKK-JKSUJKDBSA-N 2 2 345.447 0.412 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001267567784 837788558 /nfs/dbraw/zinc/78/85/58/837788558.db2.gz OWVDIUPBQCVBKK-JKSUJKDBSA-N 2 2 345.447 0.412 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[NH+]2CCN(CCF)CC2)CC1 ZINC001267577183 837833444 /nfs/dbraw/zinc/83/34/44/837833444.db2.gz HWJIZHCRYSRZET-UHFFFAOYSA-N 2 2 338.471 0.377 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001266320935 835692861 /nfs/dbraw/zinc/69/28/61/835692861.db2.gz JBALOAFCXSWXGY-LSDHHAIUSA-N 2 2 347.463 0.889 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001266320935 835692865 /nfs/dbraw/zinc/69/28/65/835692865.db2.gz JBALOAFCXSWXGY-LSDHHAIUSA-N 2 2 347.463 0.889 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266820857 836346200 /nfs/dbraw/zinc/34/62/00/836346200.db2.gz SFPSHGTWTDCOJW-CABCVRRESA-N 2 2 347.463 0.780 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267107515 836789702 /nfs/dbraw/zinc/78/97/02/836789702.db2.gz DYGVFBODKWBLMS-HOTGVXAUSA-N 2 2 345.447 0.252 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267107515 836789713 /nfs/dbraw/zinc/78/97/13/836789713.db2.gz DYGVFBODKWBLMS-HOTGVXAUSA-N 2 2 345.447 0.252 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267681041 838241614 /nfs/dbraw/zinc/24/16/14/838241614.db2.gz GUNUJQQYSDJYIJ-OAHLLOKOSA-N 2 2 348.491 0.437 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267731658 838422656 /nfs/dbraw/zinc/42/26/56/838422656.db2.gz MNMNKVHQPWDWOX-CVEARBPZSA-N 2 2 336.480 0.600 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267731658 838422661 /nfs/dbraw/zinc/42/26/61/838422661.db2.gz MNMNKVHQPWDWOX-CVEARBPZSA-N 2 2 336.480 0.600 20 30 ECEDLP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001267773909 838534140 /nfs/dbraw/zinc/53/41/40/838534140.db2.gz DCVLKPUGEIBSCG-INIZCTEOSA-N 2 2 349.479 0.279 20 30 ECEDLP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001267773909 838534146 /nfs/dbraw/zinc/53/41/46/838534146.db2.gz DCVLKPUGEIBSCG-INIZCTEOSA-N 2 2 349.479 0.279 20 30 ECEDLP C#CC[NH+]1CCC(c2nc(CC(=O)N3CC[NH+](CC)CC3)no2)CC1 ZINC000277915328 201307551 /nfs/dbraw/zinc/30/75/51/201307551.db2.gz POMKFKAETGIZTI-UHFFFAOYSA-N 2 2 345.447 0.589 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCCC)C2)CC1 ZINC000081669063 436355430 /nfs/dbraw/zinc/35/54/30/436355430.db2.gz MITWFLYVMNEOIB-MRXNPFEDSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCCC)C2)CC1 ZINC000081669063 436355432 /nfs/dbraw/zinc/35/54/32/436355432.db2.gz MITWFLYVMNEOIB-MRXNPFEDSA-N 2 2 334.464 0.002 20 30 ECEDLP C[C@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000262290540 436922908 /nfs/dbraw/zinc/92/29/08/436922908.db2.gz LCFXQSBKNFMKPL-ZFWWWQNUSA-N 2 2 332.452 0.962 20 30 ECEDLP [NH2+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCN(c2ncccn2)CC1 ZINC000261965244 436897885 /nfs/dbraw/zinc/89/78/85/436897885.db2.gz BAFDSKLRQOUZAD-UHFFFAOYSA-N 2 2 340.435 0.646 20 30 ECEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379218 437180653 /nfs/dbraw/zinc/18/06/53/437180653.db2.gz ZTJZKRPKPJVMBB-GOSISDBHSA-N 2 2 337.512 0.999 20 30 ECEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379218 437180656 /nfs/dbraw/zinc/18/06/56/437180656.db2.gz ZTJZKRPKPJVMBB-GOSISDBHSA-N 2 2 337.512 0.999 20 30 ECEDLP CC(C)[C@@](C)(C#N)NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177379218 437180660 /nfs/dbraw/zinc/18/06/60/437180660.db2.gz ZTJZKRPKPJVMBB-GOSISDBHSA-N 2 2 337.512 0.999 20 30 ECEDLP CC(C)[C@@](C)(C#N)NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177379218 437180663 /nfs/dbraw/zinc/18/06/63/437180663.db2.gz ZTJZKRPKPJVMBB-GOSISDBHSA-N 2 2 337.512 0.999 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330533588 437541537 /nfs/dbraw/zinc/54/15/37/437541537.db2.gz QRHHTCWFKKUYPM-FGTMMUONSA-N 2 2 349.523 0.952 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330533588 437541541 /nfs/dbraw/zinc/54/15/41/437541541.db2.gz QRHHTCWFKKUYPM-FGTMMUONSA-N 2 2 349.523 0.952 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330860141 437635146 /nfs/dbraw/zinc/63/51/46/437635146.db2.gz VXCZSZGTOCWCDW-HZPDHXFCSA-N 2 2 335.496 0.847 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330860141 437635152 /nfs/dbraw/zinc/63/51/52/437635152.db2.gz VXCZSZGTOCWCDW-HZPDHXFCSA-N 2 2 335.496 0.847 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000363154157 437771123 /nfs/dbraw/zinc/77/11/23/437771123.db2.gz IZSYQTCOCXMTNC-UHFFFAOYSA-N 2 2 343.475 0.800 20 30 ECEDLP C[C@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)c[nH+]2)CCO1 ZINC000424141929 437893046 /nfs/dbraw/zinc/89/30/46/437893046.db2.gz XXHWQHGESSCURD-DZGCQCFKSA-N 2 2 331.420 0.944 20 30 ECEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000342736545 438054868 /nfs/dbraw/zinc/05/48/68/438054868.db2.gz YDQWNFSWWMUXJA-UHFFFAOYSA-N 2 2 340.431 0.848 20 30 ECEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000602878134 439150628 /nfs/dbraw/zinc/15/06/28/439150628.db2.gz WASMSXMYZKGPMH-MJGOQNOKSA-N 2 2 347.459 0.881 20 30 ECEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000602878134 439150629 /nfs/dbraw/zinc/15/06/29/439150629.db2.gz WASMSXMYZKGPMH-MJGOQNOKSA-N 2 2 347.459 0.881 20 30 ECEDLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@H](O)CC(C)(C)C#N ZINC000598590071 439283188 /nfs/dbraw/zinc/28/31/88/439283188.db2.gz WWGDLEFGDNPAHA-BRWVUGGUSA-N 2 2 338.496 0.624 20 30 ECEDLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H](O)CC(C)(C)C#N ZINC000598590071 439283193 /nfs/dbraw/zinc/28/31/93/439283193.db2.gz WWGDLEFGDNPAHA-BRWVUGGUSA-N 2 2 338.496 0.624 20 30 ECEDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598590071 439283196 /nfs/dbraw/zinc/28/31/96/439283196.db2.gz WWGDLEFGDNPAHA-BRWVUGGUSA-N 2 2 338.496 0.624 20 30 ECEDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598590071 439283201 /nfs/dbraw/zinc/28/32/01/439283201.db2.gz WWGDLEFGDNPAHA-BRWVUGGUSA-N 2 2 338.496 0.624 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000490917099 439312196 /nfs/dbraw/zinc/31/21/96/439312196.db2.gz VVKFMBWBGIJOSW-CQSZACIVSA-N 2 2 329.400 0.843 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000490925615 439313094 /nfs/dbraw/zinc/31/30/94/439313094.db2.gz WMLYMBAMODVRMC-LJQANCHMSA-N 2 2 340.471 0.753 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000490925615 439313098 /nfs/dbraw/zinc/31/30/98/439313098.db2.gz WMLYMBAMODVRMC-LJQANCHMSA-N 2 2 340.471 0.753 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)c2c(C)nn(C)c2C)CC1 ZINC000490950425 439318458 /nfs/dbraw/zinc/31/84/58/439318458.db2.gz QOVBQJIJUGIHRH-INIZCTEOSA-N 2 2 331.464 0.855 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](CCO)c2ccccc2)CC1 ZINC000490740212 439293340 /nfs/dbraw/zinc/29/33/40/439293340.db2.gz JMBHDCLGDDNNQL-GOSISDBHSA-N 2 2 329.444 0.819 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](CCO)c2ccccc2)CC1 ZINC000490740212 439293343 /nfs/dbraw/zinc/29/33/43/439293343.db2.gz JMBHDCLGDDNNQL-GOSISDBHSA-N 2 2 329.444 0.819 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC000490865577 439304496 /nfs/dbraw/zinc/30/44/96/439304496.db2.gz DZBRMJLYCOXNNN-UHFFFAOYSA-N 2 2 342.443 0.255 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(C(=O)NC)cc2)CC1 ZINC000490865577 439304500 /nfs/dbraw/zinc/30/45/00/439304500.db2.gz DZBRMJLYCOXNNN-UHFFFAOYSA-N 2 2 342.443 0.255 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000491326092 439366332 /nfs/dbraw/zinc/36/63/32/439366332.db2.gz JVXWETZMEPZKNV-CGTJXYLNSA-N 2 2 331.460 0.701 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@](C)(O)c2ccccc2)CC1 ZINC000491487026 439391941 /nfs/dbraw/zinc/39/19/41/439391941.db2.gz ZZHHWIXJNGIOLZ-IBGZPJMESA-N 2 2 329.444 0.603 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@](C)(O)c2ccccc2)CC1 ZINC000491487026 439391944 /nfs/dbraw/zinc/39/19/44/439391944.db2.gz ZZHHWIXJNGIOLZ-IBGZPJMESA-N 2 2 329.444 0.603 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593881832 439486390 /nfs/dbraw/zinc/48/63/90/439486390.db2.gz CZZMUUMAVOGMCT-SFHVURJKSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593881832 439486393 /nfs/dbraw/zinc/48/63/93/439486393.db2.gz CZZMUUMAVOGMCT-SFHVURJKSA-N 2 2 342.443 0.969 20 30 ECEDLP C[C@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000584585879 439604134 /nfs/dbraw/zinc/60/41/34/439604134.db2.gz BMKTUMOBZDNASW-NVXWUHKLSA-N 2 2 333.432 0.856 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000595125486 439657277 /nfs/dbraw/zinc/65/72/77/439657277.db2.gz MPDDPRILLJPBKU-UHFFFAOYSA-N 2 2 331.420 0.496 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000595125486 439657281 /nfs/dbraw/zinc/65/72/81/439657281.db2.gz MPDDPRILLJPBKU-UHFFFAOYSA-N 2 2 331.420 0.496 20 30 ECEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600719651 439695616 /nfs/dbraw/zinc/69/56/16/439695616.db2.gz DFRPFBSNLJQZPD-CVEARBPZSA-N 2 2 325.453 0.758 20 30 ECEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600719651 439695617 /nfs/dbraw/zinc/69/56/17/439695617.db2.gz DFRPFBSNLJQZPD-CVEARBPZSA-N 2 2 325.453 0.758 20 30 ECEDLP C=CC[C@@]1(C(=O)N2CC[NH+](CCc3cnccn3)CC2)CCC[NH2+]1 ZINC000639003783 440661928 /nfs/dbraw/zinc/66/19/28/440661928.db2.gz JQVFDXHOBMWUQX-SFHVURJKSA-N 2 2 329.448 0.862 20 30 ECEDLP C[C@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000753955228 579409857 /nfs/dbraw/zinc/40/98/57/579409857.db2.gz LHDUTRASIABQSJ-ZDUSSCGKSA-N 2 2 339.509 0.785 20 30 ECEDLP C[C@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000753955228 579409858 /nfs/dbraw/zinc/40/98/58/579409858.db2.gz LHDUTRASIABQSJ-ZDUSSCGKSA-N 2 2 339.509 0.785 20 30 ECEDLP COCCN(C)c1ccc(C=[NH+]NCCC[NH+]2CCOCC2)cn1 ZINC000799488409 578666117 /nfs/dbraw/zinc/66/61/17/578666117.db2.gz GIDLSDWTUYINSP-UHFFFAOYSA-N 2 2 335.452 0.810 20 30 ECEDLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000780959844 578703751 /nfs/dbraw/zinc/70/37/51/578703751.db2.gz PEPURVBTSDSUHD-QGZVFWFLSA-N 2 2 330.432 0.734 20 30 ECEDLP C[NH+](C)[C@H]1CCCC(=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000788413667 578837019 /nfs/dbraw/zinc/83/70/19/578837019.db2.gz BDXLUEPXIFMEHU-AWEZNQCLSA-N 2 2 327.498 0.643 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000770003052 579157504 /nfs/dbraw/zinc/15/75/04/579157504.db2.gz JYWQEXDAUCXTFC-INIZCTEOSA-N 2 2 329.448 0.377 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000770003052 579157505 /nfs/dbraw/zinc/15/75/05/579157505.db2.gz JYWQEXDAUCXTFC-INIZCTEOSA-N 2 2 329.448 0.377 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)CC1 ZINC000775427326 579266405 /nfs/dbraw/zinc/26/64/05/579266405.db2.gz QVZNRENXRSSUJJ-KRWDZBQOSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CCCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000760279321 579507735 /nfs/dbraw/zinc/50/77/35/579507735.db2.gz LYSPZBDFKQLFBW-UHFFFAOYSA-N 2 2 348.491 0.487 20 30 ECEDLP CC[N@@H+]1CCC(=NNC(=S)NCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000741457552 579774633 /nfs/dbraw/zinc/77/46/33/579774633.db2.gz MVFSUHJDQCDMJY-ZDUSSCGKSA-N 2 2 327.498 0.500 20 30 ECEDLP CC[N@H+]1CCC(=NNC(=S)NCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000741457552 579774635 /nfs/dbraw/zinc/77/46/35/579774635.db2.gz MVFSUHJDQCDMJY-ZDUSSCGKSA-N 2 2 327.498 0.500 20 30 ECEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000895686994 586197929 /nfs/dbraw/zinc/19/79/29/586197929.db2.gz YETYDZZRGRCOLU-GOSISDBHSA-N 2 2 329.448 0.839 20 30 ECEDLP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905447142 586892247 /nfs/dbraw/zinc/89/22/47/586892247.db2.gz OTJODJFCSGQIAI-IRXDYDNUSA-N 2 2 338.496 0.673 20 30 ECEDLP C[C@@H]1CN(c2ccc(CNC(=O)C#CC3CC[NH2+]CC3)c[nH+]2)CCO1 ZINC000852857866 589518880 /nfs/dbraw/zinc/51/88/80/589518880.db2.gz IKQFQGYLLVMSAU-OAHLLOKOSA-N 2 2 342.443 0.926 20 30 ECEDLP C#CC[C@@H](COC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000859031604 589794229 /nfs/dbraw/zinc/79/42/29/589794229.db2.gz JNONJHHYQGICAK-XNHLSEOASA-N 2 2 348.491 0.977 20 30 ECEDLP C#CC[C@@H](COC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000859031604 589794231 /nfs/dbraw/zinc/79/42/31/589794231.db2.gz JNONJHHYQGICAK-XNHLSEOASA-N 2 2 348.491 0.977 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000876715054 590402026 /nfs/dbraw/zinc/40/20/26/590402026.db2.gz GLQKASKUZAXEJE-WCQYABFASA-N 2 2 328.844 0.268 20 30 ECEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876781188 590414631 /nfs/dbraw/zinc/41/46/31/590414631.db2.gz DXKYKUCUBOCXCC-KDOFPFPSSA-N 2 2 341.459 0.497 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000878874379 590548767 /nfs/dbraw/zinc/54/87/67/590548767.db2.gz WFUZBYHOSWFANX-WMZOPIPTSA-N 2 2 349.475 0.064 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000884198739 590771339 /nfs/dbraw/zinc/77/13/39/590771339.db2.gz FPMMBPUVVPPBNF-IAGOWNOFSA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000884198739 590771343 /nfs/dbraw/zinc/77/13/43/590771343.db2.gz FPMMBPUVVPPBNF-IAGOWNOFSA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884198739 590771347 /nfs/dbraw/zinc/77/13/47/590771347.db2.gz FPMMBPUVVPPBNF-IAGOWNOFSA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884198739 590771351 /nfs/dbraw/zinc/77/13/51/590771351.db2.gz FPMMBPUVVPPBNF-IAGOWNOFSA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000884199329 590771851 /nfs/dbraw/zinc/77/18/51/590771851.db2.gz WPZBPMWVNIKHPZ-MSOLQXFVSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000884199329 590771862 /nfs/dbraw/zinc/77/18/62/590771862.db2.gz WPZBPMWVNIKHPZ-MSOLQXFVSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000884199329 590771864 /nfs/dbraw/zinc/77/18/64/590771864.db2.gz WPZBPMWVNIKHPZ-MSOLQXFVSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000884199329 590771865 /nfs/dbraw/zinc/77/18/65/590771865.db2.gz WPZBPMWVNIKHPZ-MSOLQXFVSA-N 2 2 349.523 0.657 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000884232935 590783647 /nfs/dbraw/zinc/78/36/47/590783647.db2.gz DLYPRYSJLWRLIE-AWEZNQCLSA-N 2 2 346.431 0.824 20 30 ECEDLP C#CCN1CCN(C(=O)C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)CC1 ZINC000886665927 590869650 /nfs/dbraw/zinc/86/96/50/590869650.db2.gz JQJCHPZFUKEYFG-UHFFFAOYSA-N 2 2 343.475 0.983 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)CC1 ZINC000886665927 590869654 /nfs/dbraw/zinc/86/96/54/590869654.db2.gz JQJCHPZFUKEYFG-UHFFFAOYSA-N 3 2 343.475 0.983 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000887668008 590990108 /nfs/dbraw/zinc/99/01/08/590990108.db2.gz HMMVVFSRVWTHMK-QZTJIDSGSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000887668008 590990110 /nfs/dbraw/zinc/99/01/10/590990110.db2.gz HMMVVFSRVWTHMK-QZTJIDSGSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000887668008 590990112 /nfs/dbraw/zinc/99/01/12/590990112.db2.gz HMMVVFSRVWTHMK-QZTJIDSGSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000887668008 590990114 /nfs/dbraw/zinc/99/01/14/590990114.db2.gz HMMVVFSRVWTHMK-QZTJIDSGSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000931145116 611511343 /nfs/dbraw/zinc/51/13/43/611511343.db2.gz NXKKFCXBRRKMRN-UHFFFAOYSA-N 2 2 341.455 0.791 20 30 ECEDLP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000949326194 608636207 /nfs/dbraw/zinc/63/62/07/608636207.db2.gz HDBGJOKUKKONNL-INIZCTEOSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000949326194 608636209 /nfs/dbraw/zinc/63/62/09/608636209.db2.gz HDBGJOKUKKONNL-INIZCTEOSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC000949326194 608636211 /nfs/dbraw/zinc/63/62/11/608636211.db2.gz HDBGJOKUKKONNL-INIZCTEOSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC000949326194 608636214 /nfs/dbraw/zinc/63/62/14/608636214.db2.gz HDBGJOKUKKONNL-INIZCTEOSA-N 2 2 337.464 0.587 20 30 ECEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CO[NH+]=C(N)c2ccccc2)C1 ZINC000178114235 608948024 /nfs/dbraw/zinc/94/80/24/608948024.db2.gz DFYBGVXMSKGEPK-INIZCTEOSA-N 2 2 348.447 0.797 20 30 ECEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CO[NH+]=C(N)c2ccccc2)C1 ZINC000178114235 608948027 /nfs/dbraw/zinc/94/80/27/608948027.db2.gz DFYBGVXMSKGEPK-INIZCTEOSA-N 2 2 348.447 0.797 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000913997413 609842248 /nfs/dbraw/zinc/84/22/48/609842248.db2.gz NHEDWVKNBSZNNE-UHFFFAOYSA-N 2 2 335.496 0.409 20 30 ECEDLP C=C(C)C[NH+]1CC(N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC000941466637 610327892 /nfs/dbraw/zinc/32/78/92/610327892.db2.gz URNUTYZBDBSBKG-UHFFFAOYSA-N 2 2 347.463 0.754 20 30 ECEDLP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC000941464411 610333551 /nfs/dbraw/zinc/33/35/51/610333551.db2.gz JBSCAXQZXAHAIN-MRXNPFEDSA-N 2 2 343.475 0.850 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001025097929 738644539 /nfs/dbraw/zinc/64/45/39/738644539.db2.gz GTHGWHXYHIYGBT-HZPDHXFCSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001041838666 782316414 /nfs/dbraw/zinc/31/64/14/782316414.db2.gz CVICXNAYAGYTEN-HKUYNNGSSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001041838666 782316422 /nfs/dbraw/zinc/31/64/22/782316422.db2.gz CVICXNAYAGYTEN-HKUYNNGSSA-N 2 2 331.460 0.655 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331515 733797724 /nfs/dbraw/zinc/79/77/24/733797724.db2.gz OCCFJMDLNHGDNK-CYBMUJFWSA-N 2 2 333.436 0.519 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3cnnn3C)C2)CC1 ZINC000970925388 734093171 /nfs/dbraw/zinc/09/31/71/734093171.db2.gz PVSDEWXRCZZNLN-AWEZNQCLSA-N 2 2 344.463 0.097 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3cncn3C)C2)CC1 ZINC000970927300 734096940 /nfs/dbraw/zinc/09/69/40/734096940.db2.gz YDKSAKDJLFGJJQ-HNNXBMFYSA-N 2 2 343.475 0.702 20 30 ECEDLP C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971270102 734412775 /nfs/dbraw/zinc/41/27/75/734412775.db2.gz DIAGBUSYDQMCGM-ROUUACIJSA-N 2 2 342.443 0.922 20 30 ECEDLP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971270102 734412777 /nfs/dbraw/zinc/41/27/77/734412777.db2.gz DIAGBUSYDQMCGM-ROUUACIJSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971270102 734412780 /nfs/dbraw/zinc/41/27/80/734412780.db2.gz DIAGBUSYDQMCGM-ROUUACIJSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971270102 734412783 /nfs/dbraw/zinc/41/27/83/734412783.db2.gz DIAGBUSYDQMCGM-ROUUACIJSA-N 2 2 342.443 0.922 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104839599 740663123 /nfs/dbraw/zinc/66/31/23/740663123.db2.gz HZDVDMUNYGQMON-QLFBSQMISA-N 2 2 347.463 0.717 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105101702 741357827 /nfs/dbraw/zinc/35/78/27/741357827.db2.gz YKHSKZXFPAFYTP-HUUCEWRRSA-N 2 2 333.436 0.260 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242784 741543232 /nfs/dbraw/zinc/54/32/32/741543232.db2.gz HRBLTCSLVAZCMS-KRWDZBQOSA-N 2 2 342.447 0.116 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2csnn2)C1 ZINC001026893788 742039034 /nfs/dbraw/zinc/03/90/34/742039034.db2.gz NOUHMNRJTVYHHG-ZFWWWQNUSA-N 2 2 333.461 0.574 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2csnn2)C1 ZINC001026893788 742039038 /nfs/dbraw/zinc/03/90/38/742039038.db2.gz NOUHMNRJTVYHHG-ZFWWWQNUSA-N 2 2 333.461 0.574 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001027141059 742729187 /nfs/dbraw/zinc/72/91/87/742729187.db2.gz UMFPIYHUXCVJHU-UONOGXRCSA-N 2 2 331.420 0.177 20 30 ECEDLP N#CCN1CC[NH+](C2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000996794804 742876266 /nfs/dbraw/zinc/87/62/66/742876266.db2.gz FRMQOTFRGWNFEX-UHFFFAOYSA-N 2 2 330.436 0.521 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC000999392100 744671886 /nfs/dbraw/zinc/67/18/86/744671886.db2.gz PRZLWFXZTCOGKZ-CVEARBPZSA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC000999392100 744671888 /nfs/dbraw/zinc/67/18/88/744671888.db2.gz PRZLWFXZTCOGKZ-CVEARBPZSA-N 2 2 344.463 0.476 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC000999605351 744787999 /nfs/dbraw/zinc/78/79/99/744787999.db2.gz IXBKPTZJOVYHOE-RUXDESIVSA-N 2 2 331.420 0.318 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC000999605350 744788266 /nfs/dbraw/zinc/78/82/66/744788266.db2.gz IXBKPTZJOVYHOE-JXQTWKCFSA-N 2 2 331.420 0.318 20 30 ECEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978525097 746403987 /nfs/dbraw/zinc/40/39/87/746403987.db2.gz JAPRXKOXAPJJRP-FJIDUMEYSA-N 2 2 331.460 0.415 20 30 ECEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978525097 746403994 /nfs/dbraw/zinc/40/39/94/746403994.db2.gz JAPRXKOXAPJJRP-FJIDUMEYSA-N 2 2 331.460 0.415 20 30 ECEDLP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)[C@@H]2C1 ZINC000978525097 746403998 /nfs/dbraw/zinc/40/39/98/746403998.db2.gz JAPRXKOXAPJJRP-FJIDUMEYSA-N 2 2 331.460 0.415 20 30 ECEDLP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@H+]3CC3CCC3)[C@@H]2C1 ZINC000978525097 746404003 /nfs/dbraw/zinc/40/40/03/746404003.db2.gz JAPRXKOXAPJJRP-FJIDUMEYSA-N 2 2 331.460 0.415 20 30 ECEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978628604 746500645 /nfs/dbraw/zinc/50/06/45/746500645.db2.gz OTZAERHJKKVFNN-ZJPYXAASSA-N 2 2 331.460 0.557 20 30 ECEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978628604 746500649 /nfs/dbraw/zinc/50/06/49/746500649.db2.gz OTZAERHJKKVFNN-ZJPYXAASSA-N 2 2 331.460 0.557 20 30 ECEDLP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978628604 746500651 /nfs/dbraw/zinc/50/06/51/746500651.db2.gz OTZAERHJKKVFNN-ZJPYXAASSA-N 2 2 331.460 0.557 20 30 ECEDLP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978628604 746500654 /nfs/dbraw/zinc/50/06/54/746500654.db2.gz OTZAERHJKKVFNN-ZJPYXAASSA-N 2 2 331.460 0.557 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC001003054910 748122395 /nfs/dbraw/zinc/12/23/95/748122395.db2.gz CGMJJZJNSVPHRX-ZBFHGGJFSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC001003054910 748122401 /nfs/dbraw/zinc/12/24/01/748122401.db2.gz CGMJJZJNSVPHRX-ZBFHGGJFSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCn3cc[nH+]c3C)C2)nn1 ZINC001105344097 748262454 /nfs/dbraw/zinc/26/24/54/748262454.db2.gz MIXQUSRZEDLSKE-UHFFFAOYSA-N 2 2 341.419 0.370 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001098740754 749552001 /nfs/dbraw/zinc/55/20/01/749552001.db2.gz UVMVDVRHLCCWBI-OAHLLOKOSA-N 2 2 329.408 0.683 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCN1CCCC1=O ZINC001027939224 749644322 /nfs/dbraw/zinc/64/43/22/749644322.db2.gz KLZYJRNNDDXPAE-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCN1CCCC1=O ZINC001027939224 749644327 /nfs/dbraw/zinc/64/43/27/749644327.db2.gz KLZYJRNNDDXPAE-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCN1CCCC1=O ZINC001027939224 749644330 /nfs/dbraw/zinc/64/43/30/749644330.db2.gz KLZYJRNNDDXPAE-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCN1CCCC1=O ZINC001027939224 749644333 /nfs/dbraw/zinc/64/43/33/749644333.db2.gz KLZYJRNNDDXPAE-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnsn3)[C@H]2C)CC1 ZINC000987571100 750973097 /nfs/dbraw/zinc/97/30/97/750973097.db2.gz OIJPGOXXZALRBQ-CZUORRHYSA-N 2 2 347.488 0.962 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)o3)[C@H]2C)CC1 ZINC000987577363 750979449 /nfs/dbraw/zinc/97/94/49/750979449.db2.gz UINUEWBWFKSQLJ-CZUORRHYSA-N 2 2 345.447 0.802 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC001007519740 752476862 /nfs/dbraw/zinc/47/68/62/752476862.db2.gz VBUOMFOXBPCRDZ-SJORKVTESA-N 2 2 329.448 0.561 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC001007519740 752476869 /nfs/dbraw/zinc/47/68/69/752476869.db2.gz VBUOMFOXBPCRDZ-SJORKVTESA-N 2 2 329.448 0.561 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCn2cccn2)C1 ZINC001007519740 752476879 /nfs/dbraw/zinc/47/68/79/752476879.db2.gz VBUOMFOXBPCRDZ-SJORKVTESA-N 2 2 329.448 0.561 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCn2cccn2)C1 ZINC001007519740 752476883 /nfs/dbraw/zinc/47/68/83/752476883.db2.gz VBUOMFOXBPCRDZ-SJORKVTESA-N 2 2 329.448 0.561 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000988735155 752637693 /nfs/dbraw/zinc/63/76/93/752637693.db2.gz VTEXSCBVXWHIDM-IKGGRYGDSA-N 2 2 346.475 0.285 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001028465965 752743397 /nfs/dbraw/zinc/74/33/97/752743397.db2.gz NWHHIVKRPZGEGN-OALUTQOASA-N 2 2 341.455 0.807 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001028465965 752743403 /nfs/dbraw/zinc/74/34/03/752743403.db2.gz NWHHIVKRPZGEGN-OALUTQOASA-N 2 2 341.455 0.807 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001028465965 752743407 /nfs/dbraw/zinc/74/34/07/752743407.db2.gz NWHHIVKRPZGEGN-OALUTQOASA-N 2 2 341.455 0.807 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001028465965 752743411 /nfs/dbraw/zinc/74/34/11/752743411.db2.gz NWHHIVKRPZGEGN-OALUTQOASA-N 2 2 341.455 0.807 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+]3CCCCC3)C2)nn1 ZINC001105377383 754530365 /nfs/dbraw/zinc/53/03/65/754530365.db2.gz ZWVZLYKDBMZNET-UHFFFAOYSA-N 2 2 344.463 0.650 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC001009628578 755089134 /nfs/dbraw/zinc/08/91/34/755089134.db2.gz PVGUQYJMQBHNKC-QGZVFWFLSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3ccnn3C)C2)CC1 ZINC001009628578 755089142 /nfs/dbraw/zinc/08/91/42/755089142.db2.gz PVGUQYJMQBHNKC-QGZVFWFLSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@@H]1O ZINC001083535409 755972890 /nfs/dbraw/zinc/97/28/90/755972890.db2.gz PDRDVTIEMLCCTE-QYZOEREBSA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1O ZINC001083535409 755972894 /nfs/dbraw/zinc/97/28/94/755972894.db2.gz PDRDVTIEMLCCTE-QYZOEREBSA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)cc2)C[C@@H]1O ZINC001083535409 755972899 /nfs/dbraw/zinc/97/28/99/755972899.db2.gz PDRDVTIEMLCCTE-QYZOEREBSA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)cc2)C[C@@H]1O ZINC001083535409 755972903 /nfs/dbraw/zinc/97/29/03/755972903.db2.gz PDRDVTIEMLCCTE-QYZOEREBSA-N 2 2 341.455 0.754 20 30 ECEDLP C=CC[NH+]1CC(n2cc(CNC(=O)CC[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC001107180431 757300325 /nfs/dbraw/zinc/30/03/25/757300325.db2.gz RLPIJHXUDIJBSA-HNNXBMFYSA-N 2 2 332.452 0.811 20 30 ECEDLP C=CC[NH+]1CC(n2cc(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107180431 757300334 /nfs/dbraw/zinc/30/03/34/757300334.db2.gz RLPIJHXUDIJBSA-HNNXBMFYSA-N 2 2 332.452 0.811 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3(C[NH+](C)C)CC3)nn2)C1 ZINC001107200130 757589889 /nfs/dbraw/zinc/58/98/89/757589889.db2.gz ZPCSIPNQYSSPAJ-UHFFFAOYSA-N 2 2 332.452 0.669 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[N@H+]3CC[C@@H](C)C3)nn2)C1 ZINC001107211737 757703328 /nfs/dbraw/zinc/70/33/28/757703328.db2.gz ZBSXWAYVKQENGR-CQSZACIVSA-N 2 2 332.452 0.669 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)nn2)C1 ZINC001107211737 757703333 /nfs/dbraw/zinc/70/33/33/757703333.db2.gz ZBSXWAYVKQENGR-CQSZACIVSA-N 2 2 332.452 0.669 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C)cc2)C[C@H]1O ZINC001077158634 758374564 /nfs/dbraw/zinc/37/45/64/758374564.db2.gz PDRDVTIEMLCCTE-CEXWTWQISA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1O ZINC001077158634 758374575 /nfs/dbraw/zinc/37/45/75/758374575.db2.gz PDRDVTIEMLCCTE-CEXWTWQISA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)cc2)C[C@H]1O ZINC001077158634 758374584 /nfs/dbraw/zinc/37/45/84/758374584.db2.gz PDRDVTIEMLCCTE-CEXWTWQISA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C)cc2)C[C@H]1O ZINC001077158634 758374594 /nfs/dbraw/zinc/37/45/94/758374594.db2.gz PDRDVTIEMLCCTE-CEXWTWQISA-N 2 2 341.455 0.754 20 30 ECEDLP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001099556291 759872894 /nfs/dbraw/zinc/87/28/94/759872894.db2.gz IKVXJWQXAPHHCR-MLHJIOFPSA-N 2 2 342.443 0.702 20 30 ECEDLP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001099556291 759872903 /nfs/dbraw/zinc/87/29/03/759872903.db2.gz IKVXJWQXAPHHCR-MLHJIOFPSA-N 2 2 342.443 0.702 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001050237950 760027199 /nfs/dbraw/zinc/02/71/99/760027199.db2.gz BOZPKEMPVCLCBH-HOTGVXAUSA-N 2 2 345.447 0.498 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)CC1 ZINC001050761081 760798120 /nfs/dbraw/zinc/79/81/20/760798120.db2.gz FUQSHMMJWDQMDF-QGZVFWFLSA-N 2 2 331.460 0.655 20 30 ECEDLP N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)s1 ZINC001051848474 763104169 /nfs/dbraw/zinc/10/41/69/763104169.db2.gz SAJOYVQWWDRIRO-ZDUSSCGKSA-N 2 2 345.428 0.903 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001046895723 763327612 /nfs/dbraw/zinc/32/76/12/763327612.db2.gz ABOVJOSBLHNGOP-MAUKXSAKSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052028935 763624738 /nfs/dbraw/zinc/62/47/38/763624738.db2.gz VAMMDMPJKUNOPQ-RTBURBONSA-N 2 2 344.503 0.570 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001052048240 763695129 /nfs/dbraw/zinc/69/51/29/763695129.db2.gz ORYULIBDSAXMLB-KRWDZBQOSA-N 2 2 330.476 0.467 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001052048240 763695135 /nfs/dbraw/zinc/69/51/35/763695135.db2.gz ORYULIBDSAXMLB-KRWDZBQOSA-N 2 2 330.476 0.467 20 30 ECEDLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052048532 763696894 /nfs/dbraw/zinc/69/68/94/763696894.db2.gz WXQCGSNHGBHNDK-QZTJIDSGSA-N 2 2 347.507 0.849 20 30 ECEDLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052048532 763696897 /nfs/dbraw/zinc/69/68/97/763696897.db2.gz WXQCGSNHGBHNDK-QZTJIDSGSA-N 2 2 347.507 0.849 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052070886 763769244 /nfs/dbraw/zinc/76/92/44/763769244.db2.gz OJEYOIZGZQHRNP-FHWLQOOXSA-N 2 2 346.519 0.959 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052070886 763769250 /nfs/dbraw/zinc/76/92/50/763769250.db2.gz OJEYOIZGZQHRNP-FHWLQOOXSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001047453420 764395892 /nfs/dbraw/zinc/39/58/92/764395892.db2.gz XKSQLERRBLKZOE-IRXDYDNUSA-N 2 2 339.399 0.408 20 30 ECEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001047453420 764395895 /nfs/dbraw/zinc/39/58/95/764395895.db2.gz XKSQLERRBLKZOE-IRXDYDNUSA-N 2 2 339.399 0.408 20 30 ECEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001047529018 764606175 /nfs/dbraw/zinc/60/61/75/764606175.db2.gz NAVNWSRJWZQJME-HOTGVXAUSA-N 2 2 334.420 0.574 20 30 ECEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001047529018 764606178 /nfs/dbraw/zinc/60/61/78/764606178.db2.gz NAVNWSRJWZQJME-HOTGVXAUSA-N 2 2 334.420 0.574 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001015713350 765217723 /nfs/dbraw/zinc/21/77/23/765217723.db2.gz NUVKLRNMQLUGOI-HOTGVXAUSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001015713350 765217727 /nfs/dbraw/zinc/21/77/27/765217727.db2.gz NUVKLRNMQLUGOI-HOTGVXAUSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001015713350 765217730 /nfs/dbraw/zinc/21/77/30/765217730.db2.gz NUVKLRNMQLUGOI-HOTGVXAUSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001015713350 765217733 /nfs/dbraw/zinc/21/77/33/765217733.db2.gz NUVKLRNMQLUGOI-HOTGVXAUSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001052970852 765432981 /nfs/dbraw/zinc/43/29/81/765432981.db2.gz ZVKPMSMYQMDWFO-CVEARBPZSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001052970852 765432987 /nfs/dbraw/zinc/43/29/87/765432987.db2.gz ZVKPMSMYQMDWFO-CVEARBPZSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1)O2 ZINC001053649743 766512069 /nfs/dbraw/zinc/51/20/69/766512069.db2.gz VLEPWEWDOILNHD-JKSUJKDBSA-N 2 2 337.464 0.631 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649743 766512076 /nfs/dbraw/zinc/51/20/76/766512076.db2.gz VLEPWEWDOILNHD-JKSUJKDBSA-N 2 2 337.464 0.631 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001046036845 766729253 /nfs/dbraw/zinc/72/92/53/766729253.db2.gz HNJKDTYEEQFOBR-GVDBMIGSSA-N 2 2 341.459 0.755 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001046036845 766729261 /nfs/dbraw/zinc/72/92/61/766729261.db2.gz HNJKDTYEEQFOBR-GVDBMIGSSA-N 2 2 341.459 0.755 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001046036845 766729271 /nfs/dbraw/zinc/72/92/71/766729271.db2.gz HNJKDTYEEQFOBR-GVDBMIGSSA-N 2 2 341.459 0.755 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001046036845 766729287 /nfs/dbraw/zinc/72/92/87/766729287.db2.gz HNJKDTYEEQFOBR-GVDBMIGSSA-N 2 2 341.459 0.755 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046040171 766745245 /nfs/dbraw/zinc/74/52/45/766745245.db2.gz FWPREMLMEBDELK-SJLPKXTDSA-N 2 2 341.459 0.297 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046040171 766745250 /nfs/dbraw/zinc/74/52/50/766745250.db2.gz FWPREMLMEBDELK-SJLPKXTDSA-N 2 2 341.459 0.297 20 30 ECEDLP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046056864 766812363 /nfs/dbraw/zinc/81/23/63/766812363.db2.gz VKDBJPJTBFTZGO-ZWKOTPCHSA-N 2 2 347.507 0.850 20 30 ECEDLP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046056864 766812374 /nfs/dbraw/zinc/81/23/74/766812374.db2.gz VKDBJPJTBFTZGO-ZWKOTPCHSA-N 2 2 347.507 0.850 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cn(C)nc2C)C1 ZINC001031740949 766988033 /nfs/dbraw/zinc/98/80/33/766988033.db2.gz OJEDTEIHKSHMBO-KRWDZBQOSA-N 2 2 329.448 0.374 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cn(C)nc2C)C1 ZINC001031740949 766988039 /nfs/dbraw/zinc/98/80/39/766988039.db2.gz OJEDTEIHKSHMBO-KRWDZBQOSA-N 2 2 329.448 0.374 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001017957478 768550742 /nfs/dbraw/zinc/55/07/42/768550742.db2.gz QHVCUONHUJMTTE-VVLHAWIVSA-N 2 2 348.491 0.789 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001017957478 768550747 /nfs/dbraw/zinc/55/07/47/768550747.db2.gz QHVCUONHUJMTTE-VVLHAWIVSA-N 2 2 348.491 0.789 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168493287 768555164 /nfs/dbraw/zinc/55/51/64/768555164.db2.gz WVZYDDLRKZJDRC-CQSZACIVSA-N 2 2 333.436 0.450 20 30 ECEDLP Cc1[nH+]ccn1CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055577853 769170192 /nfs/dbraw/zinc/17/01/92/769170192.db2.gz CSNARABGVFADJD-ZDUSSCGKSA-N 2 2 346.435 0.048 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001018986219 770485289 /nfs/dbraw/zinc/48/52/89/770485289.db2.gz WGQIYIDLSSMKEJ-SNPRPXQTSA-N 2 2 331.420 0.727 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001018986219 770485295 /nfs/dbraw/zinc/48/52/95/770485295.db2.gz WGQIYIDLSSMKEJ-SNPRPXQTSA-N 2 2 331.420 0.727 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)nn2)C1 ZINC001018986319 770486865 /nfs/dbraw/zinc/48/68/65/770486865.db2.gz YPHILOQJTVTNJC-HOTGVXAUSA-N 2 2 343.431 0.273 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)nn2)C1 ZINC001018986319 770486869 /nfs/dbraw/zinc/48/68/69/770486869.db2.gz YPHILOQJTVTNJC-HOTGVXAUSA-N 2 2 343.431 0.273 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)C1=O ZINC001019721131 771735972 /nfs/dbraw/zinc/73/59/72/771735972.db2.gz ASZZUTPJYAFBLZ-HOCLYGCPSA-N 2 2 345.447 0.330 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001020250302 772349719 /nfs/dbraw/zinc/34/97/19/772349719.db2.gz AKZHGWJMRIKQTN-NGFQHRJXSA-N 2 2 331.420 0.773 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnc(C)o2)C1 ZINC001020250302 772349722 /nfs/dbraw/zinc/34/97/22/772349722.db2.gz AKZHGWJMRIKQTN-NGFQHRJXSA-N 2 2 331.420 0.773 20 30 ECEDLP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001070380523 783918120 /nfs/dbraw/zinc/91/81/20/783918120.db2.gz LAZIQGCQBDAEEH-QAPCUYQASA-N 2 2 343.431 0.061 20 30 ECEDLP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001070958896 784230403 /nfs/dbraw/zinc/23/04/03/784230403.db2.gz YTCUMSQFRVMGJZ-UHFFFAOYSA-N 2 2 347.463 0.959 20 30 ECEDLP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001070958896 784230408 /nfs/dbraw/zinc/23/04/08/784230408.db2.gz YTCUMSQFRVMGJZ-UHFFFAOYSA-N 2 2 347.463 0.959 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)CC[N@@H+]1C ZINC001070649145 784495411 /nfs/dbraw/zinc/49/54/11/784495411.db2.gz QOWBNJCFIDLXAT-KBUPBQIOSA-N 2 2 330.436 0.168 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)CC[N@H+]1C ZINC001070649145 784495413 /nfs/dbraw/zinc/49/54/13/784495413.db2.gz QOWBNJCFIDLXAT-KBUPBQIOSA-N 2 2 330.436 0.168 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cncn1C ZINC001070695000 784563386 /nfs/dbraw/zinc/56/33/86/784563386.db2.gz KVDONTCJDUCTBK-HUUCEWRRSA-N 2 2 328.420 0.846 20 30 ECEDLP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001071234308 784800652 /nfs/dbraw/zinc/80/06/52/784800652.db2.gz WZNROJCWSYWMHM-KBXCAEBGSA-N 2 2 330.432 0.976 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001071234308 784800656 /nfs/dbraw/zinc/80/06/56/784800656.db2.gz WZNROJCWSYWMHM-KBXCAEBGSA-N 2 2 330.432 0.976 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001073633681 786825045 /nfs/dbraw/zinc/82/50/45/786825045.db2.gz CQYAEMLDEJHNMU-CVEARBPZSA-N 2 2 330.432 0.991 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001073633681 786825056 /nfs/dbraw/zinc/82/50/56/786825056.db2.gz CQYAEMLDEJHNMU-CVEARBPZSA-N 2 2 330.432 0.991 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001073633682 786825631 /nfs/dbraw/zinc/82/56/31/786825631.db2.gz CQYAEMLDEJHNMU-HOTGVXAUSA-N 2 2 330.432 0.991 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001073633682 786825643 /nfs/dbraw/zinc/82/56/43/786825643.db2.gz CQYAEMLDEJHNMU-HOTGVXAUSA-N 2 2 330.432 0.991 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)C[C@@H]21 ZINC001074410288 786896426 /nfs/dbraw/zinc/89/64/26/786896426.db2.gz PEGUUAVLOMUROW-RBUKOAKNSA-N 2 2 343.471 0.657 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)C[C@@H]21 ZINC001074410288 786896432 /nfs/dbraw/zinc/89/64/32/786896432.db2.gz PEGUUAVLOMUROW-RBUKOAKNSA-N 2 2 343.471 0.657 20 30 ECEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)C[C@H]21 ZINC001074410286 786896492 /nfs/dbraw/zinc/89/64/92/786896492.db2.gz PEGUUAVLOMUROW-MOPGFXCFSA-N 2 2 343.471 0.657 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)C[C@H]21 ZINC001074410286 786896500 /nfs/dbraw/zinc/89/65/00/786896500.db2.gz PEGUUAVLOMUROW-MOPGFXCFSA-N 2 2 343.471 0.657 20 30 ECEDLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001074581714 787320371 /nfs/dbraw/zinc/32/03/71/787320371.db2.gz KRZXNZBJBCSXSQ-WBAXXEDZSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001074581714 787320380 /nfs/dbraw/zinc/32/03/80/787320380.db2.gz KRZXNZBJBCSXSQ-WBAXXEDZSA-N 2 2 342.443 0.968 20 30 ECEDLP C#CCN1CC[NH+](CCCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001266266994 835583577 /nfs/dbraw/zinc/58/35/77/835583577.db2.gz KWCJZXKTVOQHNH-UHFFFAOYSA-N 2 2 331.464 0.684 20 30 ECEDLP C[NH+](C)[C@@H](C(=O)NCCC[NH+]1CCN(CC#N)CC1)c1ccccc1 ZINC001266277453 835603453 /nfs/dbraw/zinc/60/34/53/835603453.db2.gz ATXHBQOHQHGQMZ-GOSISDBHSA-N 2 2 343.475 0.937 20 30 ECEDLP C#CC[NH+]1CCN(CCNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001266288097 835631256 /nfs/dbraw/zinc/63/12/56/835631256.db2.gz RVFNXFXQXHKUDX-UHFFFAOYSA-N 2 2 338.415 0.248 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266330671 835711827 /nfs/dbraw/zinc/71/18/27/835711827.db2.gz HJMUMLHOEJKVGK-MRXNPFEDSA-N 2 2 345.447 0.583 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266330671 835711829 /nfs/dbraw/zinc/71/18/29/835711829.db2.gz HJMUMLHOEJKVGK-MRXNPFEDSA-N 2 2 345.447 0.583 20 30 ECEDLP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266601605 836035186 /nfs/dbraw/zinc/03/51/86/836035186.db2.gz HROKIFXEUXFHIH-JOCQHMNTSA-N 2 2 327.388 0.716 20 30 ECEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001266701260 836166022 /nfs/dbraw/zinc/16/60/22/836166022.db2.gz LLKCJWJMXMCGCH-TWMKSMIVSA-N 2 2 335.448 0.126 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001266770448 836280187 /nfs/dbraw/zinc/28/01/87/836280187.db2.gz WGAPQRUKCGGVAU-MRXNPFEDSA-N 2 2 345.447 0.241 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001266770448 836280199 /nfs/dbraw/zinc/28/01/99/836280199.db2.gz WGAPQRUKCGGVAU-MRXNPFEDSA-N 2 2 345.447 0.241 20 30 ECEDLP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001266914365 836472366 /nfs/dbraw/zinc/47/23/66/836472366.db2.gz HXRCQXQREJKIFT-WLYUNCDWSA-N 2 2 345.447 0.355 20 30 ECEDLP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001266914365 836472373 /nfs/dbraw/zinc/47/23/73/836472373.db2.gz HXRCQXQREJKIFT-WLYUNCDWSA-N 2 2 345.447 0.355 20 30 ECEDLP N#CCNC(=O)C[NH2+]C1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001266917005 836476358 /nfs/dbraw/zinc/47/63/58/836476358.db2.gz MZWZKLYQPYIGOJ-UHFFFAOYSA-N 2 2 346.435 0.320 20 30 ECEDLP C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267002901 836599615 /nfs/dbraw/zinc/59/96/15/836599615.db2.gz VOIWTLCSOYQMGB-CQSZACIVSA-N 2 2 333.436 0.473 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CC#Cc2ccccc2)C1 ZINC001267231267 837035880 /nfs/dbraw/zinc/03/58/80/837035880.db2.gz TXBITHCBEGKPQC-GOSISDBHSA-N 2 2 329.444 0.807 20 30 ECEDLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)CC#Cc2ccccc2)C1 ZINC001267231267 837035891 /nfs/dbraw/zinc/03/58/91/837035891.db2.gz TXBITHCBEGKPQC-GOSISDBHSA-N 2 2 329.444 0.807 20 30 ECEDLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)CC#Cc2ccccc2)C1 ZINC001267231267 837035906 /nfs/dbraw/zinc/03/59/06/837035906.db2.gz TXBITHCBEGKPQC-GOSISDBHSA-N 2 2 329.444 0.807 20 30 ECEDLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)CC#Cc2ccccc2)C1 ZINC001267231267 837035915 /nfs/dbraw/zinc/03/59/15/837035915.db2.gz TXBITHCBEGKPQC-GOSISDBHSA-N 2 2 329.444 0.807 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC(=O)N[C@H](C)CC)CC1 ZINC001267232604 837037695 /nfs/dbraw/zinc/03/76/95/837037695.db2.gz KGVGRADUXVLQMY-OAHLLOKOSA-N 2 2 336.480 0.294 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC(=O)N[C@H](C)CC)CC1 ZINC001267232604 837037708 /nfs/dbraw/zinc/03/77/08/837037708.db2.gz KGVGRADUXVLQMY-OAHLLOKOSA-N 2 2 336.480 0.294 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](CCNC(=O)Cn2c[nH+]cc2C)C2CC2)C1=O ZINC001267329737 837211206 /nfs/dbraw/zinc/21/12/06/837211206.db2.gz PWRQPUXKSSPSBS-INIZCTEOSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](CCNC(=O)Cn2c[nH+]cc2C)C2CC2)C1=O ZINC001267329737 837211212 /nfs/dbraw/zinc/21/12/12/837211212.db2.gz PWRQPUXKSSPSBS-INIZCTEOSA-N 2 2 345.447 0.559 20 30 ECEDLP N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001267634601 838103705 /nfs/dbraw/zinc/10/37/05/838103705.db2.gz GVCZCZAWCGATCV-HNNXBMFYSA-N 2 2 335.452 0.083 20 30 ECEDLP N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001267634601 838103709 /nfs/dbraw/zinc/10/37/09/838103709.db2.gz GVCZCZAWCGATCV-HNNXBMFYSA-N 2 2 335.452 0.083 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267730928 838417357 /nfs/dbraw/zinc/41/73/57/838417357.db2.gz HDSVFAFLFXZBEF-HOTGVXAUSA-N 2 2 336.480 0.742 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267730928 838417358 /nfs/dbraw/zinc/41/73/58/838417358.db2.gz HDSVFAFLFXZBEF-HOTGVXAUSA-N 2 2 336.480 0.742 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001267730928 838417361 /nfs/dbraw/zinc/41/73/61/838417361.db2.gz HDSVFAFLFXZBEF-HOTGVXAUSA-N 2 2 336.480 0.742 20 30 ECEDLP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001267773910 838534188 /nfs/dbraw/zinc/53/41/88/838534188.db2.gz DCVLKPUGEIBSCG-MRXNPFEDSA-N 2 2 349.479 0.279 20 30 ECEDLP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001267773910 838534193 /nfs/dbraw/zinc/53/41/93/838534193.db2.gz DCVLKPUGEIBSCG-MRXNPFEDSA-N 2 2 349.479 0.279 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001267845706 838643332 /nfs/dbraw/zinc/64/33/32/838643332.db2.gz XSMBJCHZRBEOMJ-AWEZNQCLSA-N 2 2 345.447 0.119 20 30 ECEDLP C=CCNC(=O)C[NH2+]CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001267916733 838789214 /nfs/dbraw/zinc/78/92/14/838789214.db2.gz IVYAFSLSKDTPKH-UHFFFAOYSA-N 2 2 333.436 0.473 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001267929969 838809094 /nfs/dbraw/zinc/80/90/94/838809094.db2.gz UOIPNELRHHKEAQ-IHRRRGAJSA-N 2 2 333.436 0.660 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267989727 838934196 /nfs/dbraw/zinc/93/41/96/838934196.db2.gz FNDXGXYEYNZTDK-CHWSQXEVSA-N 2 2 341.415 0.656 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ncnn1CCC ZINC001268066542 839254099 /nfs/dbraw/zinc/25/40/99/839254099.db2.gz AYZLZPWDMWOLLE-CVEARBPZSA-N 2 2 346.479 0.722 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ncnn1CCC ZINC001268066542 839254102 /nfs/dbraw/zinc/25/41/02/839254102.db2.gz AYZLZPWDMWOLLE-CVEARBPZSA-N 2 2 346.479 0.722 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001268068646 839260956 /nfs/dbraw/zinc/26/09/56/839260956.db2.gz NQOJQRNPSUITIN-HIFRSBDPSA-N 2 2 344.463 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001268068646 839260966 /nfs/dbraw/zinc/26/09/66/839260966.db2.gz NQOJQRNPSUITIN-HIFRSBDPSA-N 2 2 344.463 0.716 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268071181 839267099 /nfs/dbraw/zinc/26/70/99/839267099.db2.gz MFEAMQZNWZMNPQ-KGLIPLIRSA-N 2 2 333.436 0.184 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970750 790260226 /nfs/dbraw/zinc/26/02/26/790260226.db2.gz YPHHMTFLDGVRRY-CVEARBPZSA-N 2 2 337.387 0.767 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970750 790260231 /nfs/dbraw/zinc/26/02/31/790260231.db2.gz YPHHMTFLDGVRRY-CVEARBPZSA-N 2 2 337.387 0.767 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000528560009 268298467 /nfs/dbraw/zinc/29/84/67/268298467.db2.gz FUROZHSQFHNCEV-QZTJIDSGSA-N 2 2 345.443 0.829 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000528560009 268298468 /nfs/dbraw/zinc/29/84/68/268298468.db2.gz FUROZHSQFHNCEV-QZTJIDSGSA-N 2 2 345.443 0.829 20 30 ECEDLP N#Cc1cnn2cc(C[NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)cnc12 ZINC000515343151 268318567 /nfs/dbraw/zinc/31/85/67/268318567.db2.gz AXVBMQWTTBXXLI-CQSZACIVSA-N 2 2 327.392 0.030 20 30 ECEDLP N#Cc1cnn2cc(C[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)cnc12 ZINC000515343151 268318569 /nfs/dbraw/zinc/31/85/69/268318569.db2.gz AXVBMQWTTBXXLI-CQSZACIVSA-N 2 2 327.392 0.030 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111231170 436630982 /nfs/dbraw/zinc/63/09/82/436630982.db2.gz FPYSFXHRBGKFIY-SJORKVTESA-N 2 2 335.496 0.849 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231170 436630985 /nfs/dbraw/zinc/63/09/85/436630985.db2.gz FPYSFXHRBGKFIY-SJORKVTESA-N 2 2 335.496 0.849 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000245919060 436770127 /nfs/dbraw/zinc/77/01/27/436770127.db2.gz LVTNBBMNHFDFEC-SJLPKXTDSA-N 2 2 333.480 0.507 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000245919060 436770129 /nfs/dbraw/zinc/77/01/29/436770129.db2.gz LVTNBBMNHFDFEC-SJLPKXTDSA-N 2 2 333.480 0.507 20 30 ECEDLP C[N@H+](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000155236072 436791905 /nfs/dbraw/zinc/79/19/05/436791905.db2.gz GTJCJLILEJOSSE-HNNXBMFYSA-N 2 2 340.493 0.498 20 30 ECEDLP C[N@@H+](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000155236072 436791908 /nfs/dbraw/zinc/79/19/08/436791908.db2.gz GTJCJLILEJOSSE-HNNXBMFYSA-N 2 2 340.493 0.498 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000130324285 436835339 /nfs/dbraw/zinc/83/53/39/436835339.db2.gz YELUEUCOOZVWDL-IRXDYDNUSA-N 2 2 335.496 0.706 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC[C@@](C)(O)c1cccs1 ZINC000261842478 436893029 /nfs/dbraw/zinc/89/30/29/436893029.db2.gz WKYNYJSZIHBJRB-IUODEOHRSA-N 2 2 326.466 0.451 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC[C@@](C)(O)c1cccs1 ZINC000261842478 436893032 /nfs/dbraw/zinc/89/30/32/436893032.db2.gz WKYNYJSZIHBJRB-IUODEOHRSA-N 2 2 326.466 0.451 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000283283682 437025791 /nfs/dbraw/zinc/02/57/91/437025791.db2.gz GUTPLLJSLSCYSN-UHFFFAOYSA-N 2 2 341.415 0.717 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(CO)C[C@@H](C)CC(C)(C)C2)CC1 ZINC000304685868 437159735 /nfs/dbraw/zinc/15/97/35/437159735.db2.gz GCBWWKKWXDDLSV-QFBILLFUSA-N 2 2 335.492 0.931 20 30 ECEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000266898844 437261297 /nfs/dbraw/zinc/26/12/97/437261297.db2.gz GARBRDNEJHNTEO-INIZCTEOSA-N 2 2 341.415 0.854 20 30 ECEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000278566459 437322665 /nfs/dbraw/zinc/32/26/65/437322665.db2.gz CZCTVYFXOUVXPU-ZDUSSCGKSA-N 2 2 325.434 0.820 20 30 ECEDLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000329809086 437415742 /nfs/dbraw/zinc/41/57/42/437415742.db2.gz PVQVNICGCUIYPN-GDBMZVCRSA-N 2 2 334.468 0.934 20 30 ECEDLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000329809086 437415745 /nfs/dbraw/zinc/41/57/45/437415745.db2.gz PVQVNICGCUIYPN-GDBMZVCRSA-N 2 2 334.468 0.934 20 30 ECEDLP [O-]C(=[NH+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCn2c[nH+]cc2C1 ZINC000329670861 437399119 /nfs/dbraw/zinc/39/91/19/437399119.db2.gz RXSRFWOASQAOEW-HZPDHXFCSA-N 2 2 333.436 0.991 20 30 ECEDLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000331254617 437727383 /nfs/dbraw/zinc/72/73/83/437727383.db2.gz XJGRKSUXPDDTMQ-CYBMUJFWSA-N 2 2 327.429 0.162 20 30 ECEDLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000331254617 437727384 /nfs/dbraw/zinc/72/73/84/437727384.db2.gz XJGRKSUXPDDTMQ-CYBMUJFWSA-N 2 2 327.429 0.162 20 30 ECEDLP C=CCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000357760725 438063373 /nfs/dbraw/zinc/06/33/73/438063373.db2.gz KAEBHHMBBJRGNM-UHFFFAOYSA-N 2 2 336.480 0.744 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nccc(C#N)c3[N+](=O)[O-])C2)CC1 ZINC000376666494 438289703 /nfs/dbraw/zinc/28/97/03/438289703.db2.gz SFPKMHJHBCJEKK-ZDUSSCGKSA-N 2 2 330.392 1.442 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nccc(C#N)c3[N+](=O)[O-])C2)CC1 ZINC000376666494 438289708 /nfs/dbraw/zinc/28/97/08/438289708.db2.gz SFPKMHJHBCJEKK-ZDUSSCGKSA-N 2 2 330.392 1.442 20 30 ECEDLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000595906588 438884876 /nfs/dbraw/zinc/88/48/76/438884876.db2.gz LNLMKGOVJKCDMM-INIZCTEOSA-N 2 2 335.452 0.685 20 30 ECEDLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000595906588 438884882 /nfs/dbraw/zinc/88/48/82/438884882.db2.gz LNLMKGOVJKCDMM-INIZCTEOSA-N 2 2 335.452 0.685 20 30 ECEDLP CN(CCC[NH3+])C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595987474 438909225 /nfs/dbraw/zinc/90/92/25/438909225.db2.gz LVGVIZFNPRHJSU-UHFFFAOYSA-N 2 2 343.431 0.010 20 30 ECEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000578523169 438931844 /nfs/dbraw/zinc/93/18/44/438931844.db2.gz PBJAAWKOFPHNNW-DLBZAZTESA-N 2 2 332.448 0.328 20 30 ECEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000578523169 438931848 /nfs/dbraw/zinc/93/18/48/438931848.db2.gz PBJAAWKOFPHNNW-DLBZAZTESA-N 2 2 332.448 0.328 20 30 ECEDLP C=CCCCC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000520965915 439099066 /nfs/dbraw/zinc/09/90/66/439099066.db2.gz VSCXUSSCYSUSSH-UHFFFAOYSA-N 2 2 330.498 0.453 20 30 ECEDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567472022 439144411 /nfs/dbraw/zinc/14/44/11/439144411.db2.gz JVVATZCLNGVHJI-MRXNPFEDSA-N 2 2 328.420 0.783 20 30 ECEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000602875837 439149224 /nfs/dbraw/zinc/14/92/24/439149224.db2.gz AUMDJJIGNHWABD-AEFFLSMTSA-N 2 2 333.432 0.686 20 30 ECEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000602875837 439149227 /nfs/dbraw/zinc/14/92/27/439149227.db2.gz AUMDJJIGNHWABD-AEFFLSMTSA-N 2 2 333.432 0.686 20 30 ECEDLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)n1C ZINC000581483682 439217151 /nfs/dbraw/zinc/21/71/51/439217151.db2.gz DBMHPQIDDHTFQQ-HNNXBMFYSA-N 2 2 329.404 0.887 20 30 ECEDLP C[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000526283454 439244472 /nfs/dbraw/zinc/24/44/72/439244472.db2.gz FJSMFIJGQNFXKZ-HOTGVXAUSA-N 2 2 333.480 0.507 20 30 ECEDLP C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000526283454 439244476 /nfs/dbraw/zinc/24/44/76/439244476.db2.gz FJSMFIJGQNFXKZ-HOTGVXAUSA-N 2 2 333.480 0.507 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2COc3ccccc32)CC1 ZINC000490933947 439314276 /nfs/dbraw/zinc/31/42/76/439314276.db2.gz GWKKCVJCXYFNMC-DOTOQJQBSA-N 2 2 327.428 0.918 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000490778859 439298294 /nfs/dbraw/zinc/29/82/94/439298294.db2.gz MZBYOQGHAXWAQW-UHFFFAOYSA-N 2 2 332.492 0.714 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000490781055 439298944 /nfs/dbraw/zinc/29/89/44/439298944.db2.gz VEKRJQPCNXNEEO-GOSISDBHSA-N 2 2 332.492 0.714 20 30 ECEDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1=O ZINC000598724114 439307991 /nfs/dbraw/zinc/30/79/91/439307991.db2.gz MOGOWKLNJWBQEF-UONOGXRCSA-N 2 2 333.436 0.801 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000491209427 439348306 /nfs/dbraw/zinc/34/83/06/439348306.db2.gz HBDRNKOZZQSYEV-OAHLLOKOSA-N 2 2 343.431 0.514 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)CC1 ZINC000491209427 439348312 /nfs/dbraw/zinc/34/83/12/439348312.db2.gz HBDRNKOZZQSYEV-OAHLLOKOSA-N 2 2 343.431 0.514 20 30 ECEDLP C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000491617356 439412480 /nfs/dbraw/zinc/41/24/80/439412480.db2.gz BCFDFNWUNYUXLB-HNNXBMFYSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491673344 439424019 /nfs/dbraw/zinc/42/40/19/439424019.db2.gz IJMXGALIGYKCBD-HIFRSBDPSA-N 2 2 347.381 0.399 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491673344 439424024 /nfs/dbraw/zinc/42/40/24/439424024.db2.gz IJMXGALIGYKCBD-HIFRSBDPSA-N 2 2 347.381 0.399 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491714646 439433811 /nfs/dbraw/zinc/43/38/11/439433811.db2.gz GZLCFGBZOXOCSK-TZMCWYRMSA-N 2 2 333.354 0.009 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491714646 439433818 /nfs/dbraw/zinc/43/38/18/439433818.db2.gz GZLCFGBZOXOCSK-TZMCWYRMSA-N 2 2 333.354 0.009 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(O[C@H]3CCOC3)CC2)CC1 ZINC000491728370 439437378 /nfs/dbraw/zinc/43/73/78/439437378.db2.gz MGCIKXAMKDLPDI-KRWDZBQOSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000491792412 439451575 /nfs/dbraw/zinc/45/15/75/439451575.db2.gz FUIOWMBCLBUNNW-ICSRJNTNSA-N 2 2 340.471 0.799 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(CO)CCCc3ccccc32)CC1 ZINC000491789823 439452208 /nfs/dbraw/zinc/45/22/08/439452208.db2.gz VYDIVGYQFXOGBW-FQEVSTJZSA-N 2 2 341.455 0.578 20 30 ECEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584419025 439587782 /nfs/dbraw/zinc/58/77/82/439587782.db2.gz SMAVYCYEFSNUSZ-HOTGVXAUSA-N 2 2 334.420 0.345 20 30 ECEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584419025 439587785 /nfs/dbraw/zinc/58/77/85/439587785.db2.gz SMAVYCYEFSNUSZ-HOTGVXAUSA-N 2 2 334.420 0.345 20 30 ECEDLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584419025 439587790 /nfs/dbraw/zinc/58/77/90/439587790.db2.gz SMAVYCYEFSNUSZ-HOTGVXAUSA-N 2 2 334.420 0.345 20 30 ECEDLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584419025 439587794 /nfs/dbraw/zinc/58/77/94/439587794.db2.gz SMAVYCYEFSNUSZ-HOTGVXAUSA-N 2 2 334.420 0.345 20 30 ECEDLP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000613860079 439765045 /nfs/dbraw/zinc/76/50/45/439765045.db2.gz PVMWLUZXQMOGLY-SFHVURJKSA-N 2 2 343.475 0.937 20 30 ECEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001077992326 782091917 /nfs/dbraw/zinc/09/19/17/782091917.db2.gz VDOCXBCIBCPCBP-HZPDHXFCSA-N 2 2 327.388 0.618 20 30 ECEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001077992326 782091924 /nfs/dbraw/zinc/09/19/24/782091924.db2.gz VDOCXBCIBCPCBP-HZPDHXFCSA-N 2 2 327.388 0.618 20 30 ECEDLP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000329396336 546021968 /nfs/dbraw/zinc/02/19/68/546021968.db2.gz XLTRLKRRHSLCEM-MRXNPFEDSA-N 2 2 325.501 0.856 20 30 ECEDLP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000329396336 546021971 /nfs/dbraw/zinc/02/19/71/546021971.db2.gz XLTRLKRRHSLCEM-MRXNPFEDSA-N 2 2 325.501 0.856 20 30 ECEDLP C[C@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000753956603 579409986 /nfs/dbraw/zinc/40/99/86/579409986.db2.gz YZILSQHCMVVXHQ-LBPRGKRZSA-N 2 2 325.482 0.395 20 30 ECEDLP C[C@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000753956603 579409987 /nfs/dbraw/zinc/40/99/87/579409987.db2.gz YZILSQHCMVVXHQ-LBPRGKRZSA-N 2 2 325.482 0.395 20 30 ECEDLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)CC2 ZINC000834480332 588901889 /nfs/dbraw/zinc/90/18/89/588901889.db2.gz OPWHDXOHXWMKMX-GJZGRUSLSA-N 2 2 344.415 0.290 20 30 ECEDLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)CC2 ZINC000834480332 588901891 /nfs/dbraw/zinc/90/18/91/588901891.db2.gz OPWHDXOHXWMKMX-GJZGRUSLSA-N 2 2 344.415 0.290 20 30 ECEDLP N#Cc1cccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000895686995 586197776 /nfs/dbraw/zinc/19/77/76/586197776.db2.gz YETYDZZRGRCOLU-SFHVURJKSA-N 2 2 329.448 0.839 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000900585318 586647757 /nfs/dbraw/zinc/64/77/57/586647757.db2.gz MOPPGZUEJRIAIO-IAGOWNOFSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000900585318 586647758 /nfs/dbraw/zinc/64/77/58/586647758.db2.gz MOPPGZUEJRIAIO-IAGOWNOFSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900585318 586647759 /nfs/dbraw/zinc/64/77/59/586647759.db2.gz MOPPGZUEJRIAIO-IAGOWNOFSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900585318 586647760 /nfs/dbraw/zinc/64/77/60/586647760.db2.gz MOPPGZUEJRIAIO-IAGOWNOFSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000846123271 589185849 /nfs/dbraw/zinc/18/58/49/589185849.db2.gz FOGQXEGYFSOOKO-YOEHRIQHSA-N 2 2 330.432 0.255 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000846123271 589185851 /nfs/dbraw/zinc/18/58/51/589185851.db2.gz FOGQXEGYFSOOKO-YOEHRIQHSA-N 2 2 330.432 0.255 20 30 ECEDLP O=C(C#CC1CC[NH2+]CC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000852862280 589519222 /nfs/dbraw/zinc/51/92/22/589519222.db2.gz YMZPXOZEPCCZIK-QGZVFWFLSA-N 2 2 337.489 0.314 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)N(CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000854568018 589593595 /nfs/dbraw/zinc/59/35/95/589593595.db2.gz FZVXBKISMSUPBR-OAHLLOKOSA-N 2 2 327.494 0.771 20 30 ECEDLP C#CCNC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856595988 589668062 /nfs/dbraw/zinc/66/80/62/589668062.db2.gz OSPOOPMAZNRVQY-QGZVFWFLSA-N 2 2 330.432 0.736 20 30 ECEDLP C#CCNC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856595988 589668064 /nfs/dbraw/zinc/66/80/64/589668064.db2.gz OSPOOPMAZNRVQY-QGZVFWFLSA-N 2 2 330.432 0.736 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856595988 589668065 /nfs/dbraw/zinc/66/80/65/589668065.db2.gz OSPOOPMAZNRVQY-QGZVFWFLSA-N 2 2 330.432 0.736 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856595988 589668067 /nfs/dbraw/zinc/66/80/67/589668067.db2.gz OSPOOPMAZNRVQY-QGZVFWFLSA-N 2 2 330.432 0.736 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccc(OC)nc2)C2CC2)CC1 ZINC000860206556 589752279 /nfs/dbraw/zinc/75/22/79/589752279.db2.gz RTTLVJVECRHEHJ-IBGZPJMESA-N 2 2 342.443 0.908 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000867984621 589866599 /nfs/dbraw/zinc/86/65/99/589866599.db2.gz MLGUWPIMKUNXEO-SJLPKXTDSA-N 2 2 340.427 0.678 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000867984626 589866665 /nfs/dbraw/zinc/86/66/65/589866665.db2.gz MLGUWPIMKUNXEO-WMZOPIPTSA-N 2 2 340.427 0.678 20 30 ECEDLP C=CCCn1cc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)nn1 ZINC000863547943 590021829 /nfs/dbraw/zinc/02/18/29/590021829.db2.gz MPPCUQKHQGMZNE-CVEARBPZSA-N 2 2 346.435 0.611 20 30 ECEDLP CN(C(=O)[C@@]1(C#N)CCCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865728816 590155817 /nfs/dbraw/zinc/15/58/17/590155817.db2.gz YZADOQQPOXNQPT-FUHWJXTLSA-N 2 2 334.464 0.934 20 30 ECEDLP CN(C(=O)[C@@]1(C#N)CCCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865728816 590155818 /nfs/dbraw/zinc/15/58/18/590155818.db2.gz YZADOQQPOXNQPT-FUHWJXTLSA-N 2 2 334.464 0.934 20 30 ECEDLP C#CC[C@H](COC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875925370 590347029 /nfs/dbraw/zinc/34/70/29/590347029.db2.gz QFUDUYOOKYHECV-WBVHZDCISA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[C@H](COC)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875925370 590347032 /nfs/dbraw/zinc/34/70/32/590347032.db2.gz QFUDUYOOKYHECV-WBVHZDCISA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000880517205 590399165 /nfs/dbraw/zinc/39/91/65/590399165.db2.gz MEHBZMAOUQHHIT-UHFFFAOYSA-N 3 2 334.508 0.962 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000880517205 590399167 /nfs/dbraw/zinc/39/91/67/590399167.db2.gz MEHBZMAOUQHHIT-UHFFFAOYSA-N 3 2 334.508 0.962 20 30 ECEDLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876746256 590407865 /nfs/dbraw/zinc/40/78/65/590407865.db2.gz JFTNSWUSSKKTSC-SUMWQHHRSA-N 2 2 328.416 0.582 20 30 ECEDLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876746256 590407866 /nfs/dbraw/zinc/40/78/66/590407866.db2.gz JFTNSWUSSKKTSC-SUMWQHHRSA-N 2 2 328.416 0.582 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCCCCNC(=O)CC2)CC1 ZINC000879254036 590574043 /nfs/dbraw/zinc/57/40/43/590574043.db2.gz KRUQEELYBFMHRB-UHFFFAOYSA-N 2 2 334.464 0.146 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCCCCNC(=O)CC2)CC1 ZINC000879254036 590574045 /nfs/dbraw/zinc/57/40/45/590574045.db2.gz KRUQEELYBFMHRB-UHFFFAOYSA-N 2 2 334.464 0.146 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000884220560 590780591 /nfs/dbraw/zinc/78/05/91/590780591.db2.gz WQDONZRTYXRXFM-RRFJBIMHSA-N 2 2 339.436 0.193 20 30 ECEDLP C#CCN(C(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000913876278 609829512 /nfs/dbraw/zinc/82/95/12/609829512.db2.gz UFCUNCUJDWKKFH-UHFFFAOYSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000919503283 610046387 /nfs/dbraw/zinc/04/63/87/610046387.db2.gz WEFMHNLPOPKZER-UHFFFAOYSA-N 2 2 335.496 0.411 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000941596015 610390398 /nfs/dbraw/zinc/39/03/98/610390398.db2.gz SLZPASCJOCHIMH-SFHVURJKSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000941596015 610390400 /nfs/dbraw/zinc/39/04/00/610390400.db2.gz SLZPASCJOCHIMH-SFHVURJKSA-N 2 2 332.492 0.711 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603699 610403526 /nfs/dbraw/zinc/40/35/26/610403526.db2.gz MJKUVHMNAXSDOV-MJGOQNOKSA-N 2 2 344.503 0.855 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941603699 610403528 /nfs/dbraw/zinc/40/35/28/610403528.db2.gz MJKUVHMNAXSDOV-MJGOQNOKSA-N 2 2 344.503 0.855 20 30 ECEDLP C=C(C)C[NH+]1CC(N2CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000941607817 610405574 /nfs/dbraw/zinc/40/55/74/610405574.db2.gz WYIYZBDZUYJIKO-UHFFFAOYSA-N 2 2 336.480 0.113 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000941636845 610422726 /nfs/dbraw/zinc/42/27/26/610422726.db2.gz WFTWUQCGCDVNEB-QZTJIDSGSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000941677835 610450321 /nfs/dbraw/zinc/45/03/21/610450321.db2.gz WSHBXOYVAYKYCK-SFHVURJKSA-N 2 2 332.492 0.568 20 30 ECEDLP N#CC1CCC(C[NH+]2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000923436477 611243731 /nfs/dbraw/zinc/24/37/31/611243731.db2.gz HBBUKVUCMRFKEP-UHFFFAOYSA-N 2 2 326.466 0.236 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000923579466 611267851 /nfs/dbraw/zinc/26/78/51/611267851.db2.gz PGQIEVPNNJDFKW-KRWDZBQOSA-N 2 2 341.459 0.661 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000923579466 611267853 /nfs/dbraw/zinc/26/78/53/611267853.db2.gz PGQIEVPNNJDFKW-KRWDZBQOSA-N 2 2 341.459 0.661 20 30 ECEDLP CC#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394772 611962979 /nfs/dbraw/zinc/96/29/79/611962979.db2.gz CTAIMDIMOIPFRG-IAGOWNOFSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394772 611962981 /nfs/dbraw/zinc/96/29/81/611962981.db2.gz CTAIMDIMOIPFRG-IAGOWNOFSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394772 611962982 /nfs/dbraw/zinc/96/29/82/611962982.db2.gz CTAIMDIMOIPFRG-IAGOWNOFSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394772 611962984 /nfs/dbraw/zinc/96/29/84/611962984.db2.gz CTAIMDIMOIPFRG-IAGOWNOFSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](Cc3ccn(C)n3)C2)CC1 ZINC000970923930 734090236 /nfs/dbraw/zinc/09/02/36/734090236.db2.gz IHMZSVCISLJUMC-OAHLLOKOSA-N 2 2 343.475 0.702 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](Cc3cncn3C)C2)CC1 ZINC000970927301 734096766 /nfs/dbraw/zinc/09/67/66/734096766.db2.gz YDKSAKDJLFGJJQ-OAHLLOKOSA-N 2 2 343.475 0.702 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC000971434502 734588119 /nfs/dbraw/zinc/58/81/19/734588119.db2.gz YCZXMILGUWNKGN-LSDHHAIUSA-N 2 2 345.447 0.662 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC000971434502 734588121 /nfs/dbraw/zinc/58/81/21/734588121.db2.gz YCZXMILGUWNKGN-LSDHHAIUSA-N 2 2 345.447 0.662 20 30 ECEDLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078174182 782427259 /nfs/dbraw/zinc/42/72/59/782427259.db2.gz DFXDZLJUDVKCKI-KZNAEPCWSA-N 2 2 327.428 0.151 20 30 ECEDLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078174182 782427262 /nfs/dbraw/zinc/42/72/62/782427262.db2.gz DFXDZLJUDVKCKI-KZNAEPCWSA-N 2 2 327.428 0.151 20 30 ECEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078174182 782427269 /nfs/dbraw/zinc/42/72/69/782427269.db2.gz DFXDZLJUDVKCKI-KZNAEPCWSA-N 2 2 327.428 0.151 20 30 ECEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078174182 782427274 /nfs/dbraw/zinc/42/72/74/782427274.db2.gz DFXDZLJUDVKCKI-KZNAEPCWSA-N 2 2 327.428 0.151 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cncn2C)C1 ZINC000971704633 734965916 /nfs/dbraw/zinc/96/59/16/734965916.db2.gz VRORKEOWUCVASV-WBVHZDCISA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cncn2C)C1 ZINC000971704633 734965917 /nfs/dbraw/zinc/96/59/17/734965917.db2.gz VRORKEOWUCVASV-WBVHZDCISA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cncn2C)C1 ZINC000971704633 734965919 /nfs/dbraw/zinc/96/59/19/734965919.db2.gz VRORKEOWUCVASV-WBVHZDCISA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cncn2C)C1 ZINC000971704633 734965921 /nfs/dbraw/zinc/96/59/21/734965921.db2.gz VRORKEOWUCVASV-WBVHZDCISA-N 2 2 329.448 0.550 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104468417 736490803 /nfs/dbraw/zinc/49/08/03/736490803.db2.gz ZUYASDFFYKYLEQ-HZPDHXFCSA-N 2 2 347.463 0.650 20 30 ECEDLP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262819302 737307719 /nfs/dbraw/zinc/30/77/19/737307719.db2.gz WRXKIOJXNBNMKA-NVXWUHKLSA-N 3 2 337.537 0.945 20 30 ECEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001104620012 739228611 /nfs/dbraw/zinc/22/86/11/739228611.db2.gz WNIYACBMZPLACG-UNEWFSDZSA-N 2 2 345.447 0.164 20 30 ECEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001104620012 739228612 /nfs/dbraw/zinc/22/86/12/739228612.db2.gz WNIYACBMZPLACG-UNEWFSDZSA-N 2 2 345.447 0.164 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCn1nc(C)cc1C ZINC001038369061 741255314 /nfs/dbraw/zinc/25/53/14/741255314.db2.gz SUZKINRGDMRRMG-MSOLQXFVSA-N 2 2 343.475 0.788 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCn1nc(C)cc1C ZINC001038369061 741255320 /nfs/dbraw/zinc/25/53/20/741255320.db2.gz SUZKINRGDMRRMG-MSOLQXFVSA-N 2 2 343.475 0.788 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCn1nc(C)cc1C ZINC001038369061 741255324 /nfs/dbraw/zinc/25/53/24/741255324.db2.gz SUZKINRGDMRRMG-MSOLQXFVSA-N 2 2 343.475 0.788 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCn1nc(C)cc1C ZINC001038369061 741255327 /nfs/dbraw/zinc/25/53/27/741255327.db2.gz SUZKINRGDMRRMG-MSOLQXFVSA-N 2 2 343.475 0.788 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)nn1 ZINC001105256567 741571285 /nfs/dbraw/zinc/57/12/85/741571285.db2.gz JLNFKBRHMDGYIK-MRXNPFEDSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256567 741571287 /nfs/dbraw/zinc/57/12/87/741571287.db2.gz JLNFKBRHMDGYIK-MRXNPFEDSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3nncs3)C2)CC1 ZINC001029003800 743160334 /nfs/dbraw/zinc/16/03/34/743160334.db2.gz QAXRNUDODORXOU-AWEZNQCLSA-N 2 2 347.488 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3nncs3)C2)CC1 ZINC001029003800 743160337 /nfs/dbraw/zinc/16/03/37/743160337.db2.gz QAXRNUDODORXOU-AWEZNQCLSA-N 2 2 347.488 0.821 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1=O ZINC000997040579 743161056 /nfs/dbraw/zinc/16/10/56/743161056.db2.gz HEDWFKONEFBSMY-HNNXBMFYSA-N 2 2 331.420 0.320 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001027245300 743278017 /nfs/dbraw/zinc/27/80/17/743278017.db2.gz QUJITWJVVXYUIU-CABCVRRESA-N 2 2 331.420 0.108 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(CC)nn2)C1 ZINC000998929444 744410737 /nfs/dbraw/zinc/41/07/37/744410737.db2.gz VYEHVUKSOHCJQW-PREGVCBESA-N 2 2 344.463 0.475 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(CC)nn2)C1 ZINC000998929444 744410739 /nfs/dbraw/zinc/41/07/39/744410739.db2.gz VYEHVUKSOHCJQW-PREGVCBESA-N 2 2 344.463 0.475 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001098706349 746440026 /nfs/dbraw/zinc/44/00/26/746440026.db2.gz ZIRQRXYHBDUUTC-OAHLLOKOSA-N 2 2 330.436 0.116 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2CC)C1=O ZINC001087847644 746490482 /nfs/dbraw/zinc/49/04/82/746490482.db2.gz KHGOLVBRZCKWIV-ARFHVFGLSA-N 2 2 345.447 0.639 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2CC)C1=O ZINC001087847644 746490486 /nfs/dbraw/zinc/49/04/86/746490486.db2.gz KHGOLVBRZCKWIV-ARFHVFGLSA-N 2 2 345.447 0.639 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1=O ZINC000985675344 748849973 /nfs/dbraw/zinc/84/99/73/748849973.db2.gz QYIHHXFQEZYJPD-MRXNPFEDSA-N 2 2 345.447 0.662 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1=O ZINC000985675344 748849977 /nfs/dbraw/zinc/84/99/77/748849977.db2.gz QYIHHXFQEZYJPD-MRXNPFEDSA-N 2 2 345.447 0.662 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccn(C)n3)C2)CC1 ZINC000980479202 749631344 /nfs/dbraw/zinc/63/13/44/749631344.db2.gz USNQDUZEFZAXJQ-GOSISDBHSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccn(C)n3)C2)CC1 ZINC000980479202 749631350 /nfs/dbraw/zinc/63/13/50/749631350.db2.gz USNQDUZEFZAXJQ-GOSISDBHSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ncccn3)C[C@H]2C)CC1 ZINC000989829266 754498650 /nfs/dbraw/zinc/49/86/50/754498650.db2.gz QDINYYCEHKQSDZ-WBVHZDCISA-N 2 2 341.459 0.901 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001009526558 754978923 /nfs/dbraw/zinc/97/89/23/754978923.db2.gz ZXGIKYLDSPNIPV-CVEARBPZSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001009526558 754978925 /nfs/dbraw/zinc/97/89/25/754978925.db2.gz ZXGIKYLDSPNIPV-CVEARBPZSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCC[NH+]1CC(n2cc(CNC(=O)CC[NH+]3CCOCC3)nn2)C1 ZINC001107221349 757859829 /nfs/dbraw/zinc/85/98/29/757859829.db2.gz VFWQFKYLUHRASO-UHFFFAOYSA-N 2 2 348.451 0.049 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC001022220499 758441736 /nfs/dbraw/zinc/44/17/36/758441736.db2.gz HAEGUFFIPYVYNC-MJBXVCDLSA-N 2 2 349.866 0.908 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC001022220499 758441739 /nfs/dbraw/zinc/44/17/39/758441739.db2.gz HAEGUFFIPYVYNC-MJBXVCDLSA-N 2 2 349.866 0.908 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001050232514 760005462 /nfs/dbraw/zinc/00/54/62/760005462.db2.gz CLWDTZXYDGZUAX-GOEBONIOSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001050237082 760023273 /nfs/dbraw/zinc/02/32/73/760023273.db2.gz TYTHNXNSHHCTGX-GJZGRUSLSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000995927355 760790237 /nfs/dbraw/zinc/79/02/37/760790237.db2.gz XLHWPYPEZSUNBC-LSDHHAIUSA-N 2 2 344.463 0.239 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncn2C)C(C)(C)C1 ZINC000995927355 760790242 /nfs/dbraw/zinc/79/02/42/760790242.db2.gz XLHWPYPEZSUNBC-LSDHHAIUSA-N 2 2 344.463 0.239 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC000940483513 763340629 /nfs/dbraw/zinc/34/06/29/763340629.db2.gz HJBLRCJYXOQMLW-OAHLLOKOSA-N 2 2 345.447 0.641 20 30 ECEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047324172 764000786 /nfs/dbraw/zinc/00/07/86/764000786.db2.gz KQLCNIVHBXMCRC-BZSNNMDCSA-N 2 2 342.443 0.656 20 30 ECEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047324172 764000794 /nfs/dbraw/zinc/00/07/94/764000794.db2.gz KQLCNIVHBXMCRC-BZSNNMDCSA-N 2 2 342.443 0.656 20 30 ECEDLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047324172 764000804 /nfs/dbraw/zinc/00/08/04/764000804.db2.gz KQLCNIVHBXMCRC-BZSNNMDCSA-N 2 2 342.443 0.656 20 30 ECEDLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047324172 764000813 /nfs/dbraw/zinc/00/08/13/764000813.db2.gz KQLCNIVHBXMCRC-BZSNNMDCSA-N 2 2 342.443 0.656 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001047407038 764248063 /nfs/dbraw/zinc/24/80/63/764248063.db2.gz BTMYLJZKKKETKY-BZSNNMDCSA-N 2 2 349.475 0.157 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001047407038 764248072 /nfs/dbraw/zinc/24/80/72/764248072.db2.gz BTMYLJZKKKETKY-BZSNNMDCSA-N 2 2 349.475 0.157 20 30 ECEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001047407038 764248073 /nfs/dbraw/zinc/24/80/73/764248073.db2.gz BTMYLJZKKKETKY-BZSNNMDCSA-N 2 2 349.475 0.157 20 30 ECEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001047407038 764248083 /nfs/dbraw/zinc/24/80/83/764248083.db2.gz BTMYLJZKKKETKY-BZSNNMDCSA-N 2 2 349.475 0.157 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047409756 764257952 /nfs/dbraw/zinc/25/79/52/764257952.db2.gz YDEXBEGOSZQHGQ-SQNIBIBYSA-N 2 2 333.476 0.920 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047409756 764257956 /nfs/dbraw/zinc/25/79/56/764257956.db2.gz YDEXBEGOSZQHGQ-SQNIBIBYSA-N 2 2 333.476 0.920 20 30 ECEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001047409756 764257961 /nfs/dbraw/zinc/25/79/61/764257961.db2.gz YDEXBEGOSZQHGQ-SQNIBIBYSA-N 2 2 333.476 0.920 20 30 ECEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001047409756 764257964 /nfs/dbraw/zinc/25/79/64/764257964.db2.gz YDEXBEGOSZQHGQ-SQNIBIBYSA-N 2 2 333.476 0.920 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC001052456017 764535983 /nfs/dbraw/zinc/53/59/83/764535983.db2.gz AVEYVIGBYNPLTD-WBVHZDCISA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cnnn2C)CC1 ZINC001052456017 764535989 /nfs/dbraw/zinc/53/59/89/764535989.db2.gz AVEYVIGBYNPLTD-WBVHZDCISA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2cnnn2C)CC1 ZINC001052456017 764535994 /nfs/dbraw/zinc/53/59/94/764535994.db2.gz AVEYVIGBYNPLTD-WBVHZDCISA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2cnnn2C)CC1 ZINC001052456017 764535999 /nfs/dbraw/zinc/53/59/99/764535999.db2.gz AVEYVIGBYNPLTD-WBVHZDCISA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001047527518 764597432 /nfs/dbraw/zinc/59/74/32/764597432.db2.gz GJELVSXUFRNJJH-ZQIUZPCESA-N 2 2 325.428 0.336 20 30 ECEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001047527518 764597439 /nfs/dbraw/zinc/59/74/39/764597439.db2.gz GJELVSXUFRNJJH-ZQIUZPCESA-N 2 2 325.428 0.336 20 30 ECEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047527518 764597447 /nfs/dbraw/zinc/59/74/47/764597447.db2.gz GJELVSXUFRNJJH-ZQIUZPCESA-N 2 2 325.428 0.336 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001047527344 764598283 /nfs/dbraw/zinc/59/82/83/764598283.db2.gz CUEWQDIOLMGULZ-RLFYNMQTSA-N 2 2 339.455 0.726 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001047527344 764598288 /nfs/dbraw/zinc/59/82/88/764598288.db2.gz CUEWQDIOLMGULZ-RLFYNMQTSA-N 2 2 339.455 0.726 20 30 ECEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047527344 764598303 /nfs/dbraw/zinc/59/83/03/764598303.db2.gz CUEWQDIOLMGULZ-RLFYNMQTSA-N 2 2 339.455 0.726 20 30 ECEDLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047626821 764919944 /nfs/dbraw/zinc/91/99/44/764919944.db2.gz GSDVWGWWIKCWDA-FHWLQOOXSA-N 2 2 341.455 0.493 20 30 ECEDLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047626821 764919949 /nfs/dbraw/zinc/91/99/49/764919949.db2.gz GSDVWGWWIKCWDA-FHWLQOOXSA-N 2 2 341.455 0.493 20 30 ECEDLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047626821 764919955 /nfs/dbraw/zinc/91/99/55/764919955.db2.gz GSDVWGWWIKCWDA-FHWLQOOXSA-N 2 2 341.455 0.493 20 30 ECEDLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047626821 764919959 /nfs/dbraw/zinc/91/99/59/764919959.db2.gz GSDVWGWWIKCWDA-FHWLQOOXSA-N 2 2 341.455 0.493 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)C1=O ZINC001089074257 764966166 /nfs/dbraw/zinc/96/61/66/764966166.db2.gz UTIUSNZOZPBXGY-QLFBSQMISA-N 2 2 331.420 0.249 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)C1=O ZINC001089074257 764966172 /nfs/dbraw/zinc/96/61/72/764966172.db2.gz UTIUSNZOZPBXGY-QLFBSQMISA-N 2 2 331.420 0.249 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001015713352 765217813 /nfs/dbraw/zinc/21/78/13/765217813.db2.gz NUVKLRNMQLUGOI-HZPDHXFCSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001015713352 765217819 /nfs/dbraw/zinc/21/78/19/765217819.db2.gz NUVKLRNMQLUGOI-HZPDHXFCSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001015713352 765217825 /nfs/dbraw/zinc/21/78/25/765217825.db2.gz NUVKLRNMQLUGOI-HZPDHXFCSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001015713352 765217831 /nfs/dbraw/zinc/21/78/31/765217831.db2.gz NUVKLRNMQLUGOI-HZPDHXFCSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001016261269 765997645 /nfs/dbraw/zinc/99/76/45/765997645.db2.gz WGHXOTNRMSIWTF-GJZGRUSLSA-N 2 2 331.420 0.169 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001016261269 765997650 /nfs/dbraw/zinc/99/76/50/765997650.db2.gz WGHXOTNRMSIWTF-GJZGRUSLSA-N 2 2 331.420 0.169 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cncn3C)C2)CC1 ZINC001016338231 766146956 /nfs/dbraw/zinc/14/69/56/766146956.db2.gz XRSIMYFDKRQXAY-INIZCTEOSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cncn3C)C2)CC1 ZINC001016338231 766146965 /nfs/dbraw/zinc/14/69/65/766146965.db2.gz XRSIMYFDKRQXAY-INIZCTEOSA-N 2 2 329.448 0.456 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)O2 ZINC001053618130 766444252 /nfs/dbraw/zinc/44/42/52/766444252.db2.gz QEVDELLOQNMJSZ-BZUAXINKSA-N 2 2 337.464 0.631 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)O2 ZINC001053618130 766444259 /nfs/dbraw/zinc/44/42/59/766444259.db2.gz QEVDELLOQNMJSZ-BZUAXINKSA-N 2 2 337.464 0.631 20 30 ECEDLP CC1CC[NH+](CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046074358 766889848 /nfs/dbraw/zinc/88/98/48/766889848.db2.gz ZGLPCZIDZYNNLU-KRWDZBQOSA-N 2 2 333.480 0.460 20 30 ECEDLP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046077754 766908947 /nfs/dbraw/zinc/90/89/47/766908947.db2.gz YQWFSKWYHIFODE-MRXNPFEDSA-N 2 2 331.464 0.757 20 30 ECEDLP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046077754 766908952 /nfs/dbraw/zinc/90/89/52/766908952.db2.gz YQWFSKWYHIFODE-MRXNPFEDSA-N 2 2 331.464 0.757 20 30 ECEDLP CC(C)[C@@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)[NH+]1CCCC1 ZINC001046085079 766926031 /nfs/dbraw/zinc/92/60/31/766926031.db2.gz KDHBECQZQQFDEM-MSOLQXFVSA-N 2 2 347.507 0.849 20 30 ECEDLP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046505498 767267448 /nfs/dbraw/zinc/26/74/48/767267448.db2.gz HUZZZJCOVIIZMS-ZIFCJYIRSA-N 2 2 349.475 0.470 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046505498 767267450 /nfs/dbraw/zinc/26/74/50/767267450.db2.gz HUZZZJCOVIIZMS-ZIFCJYIRSA-N 2 2 349.475 0.470 20 30 ECEDLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055607029 769243938 /nfs/dbraw/zinc/24/39/38/769243938.db2.gz QWGCOCGDPGCQCC-GFCCVEGCSA-N 2 2 346.435 0.117 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001018663889 769734443 /nfs/dbraw/zinc/73/44/43/769734443.db2.gz SHLIUYSKUKMYPZ-SWLSCSKDSA-N 2 2 334.445 0.641 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001018663889 769734451 /nfs/dbraw/zinc/73/44/51/769734451.db2.gz SHLIUYSKUKMYPZ-SWLSCSKDSA-N 2 2 334.445 0.641 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2csnc2OC)C1 ZINC001018985787 770484141 /nfs/dbraw/zinc/48/41/41/770484141.db2.gz FUQMDZLYNHTBCQ-GJZGRUSLSA-N 2 2 348.472 0.940 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2csnc2OC)C1 ZINC001018985787 770484144 /nfs/dbraw/zinc/48/41/44/770484144.db2.gz FUQMDZLYNHTBCQ-GJZGRUSLSA-N 2 2 348.472 0.940 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csnn1 ZINC001045073337 774935438 /nfs/dbraw/zinc/93/54/38/774935438.db2.gz CPACFKLVDRIUHL-GJZGRUSLSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csnn1 ZINC001045073337 774935443 /nfs/dbraw/zinc/93/54/43/774935443.db2.gz CPACFKLVDRIUHL-GJZGRUSLSA-N 2 2 333.461 0.716 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027198 790375976 /nfs/dbraw/zinc/37/59/76/790375976.db2.gz RLEGVHKEJAGLGB-OAGGEKHMSA-N 2 2 330.436 0.127 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027198 790375983 /nfs/dbraw/zinc/37/59/83/790375983.db2.gz RLEGVHKEJAGLGB-OAGGEKHMSA-N 2 2 330.436 0.127 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027198 790375998 /nfs/dbraw/zinc/37/59/98/790375998.db2.gz RLEGVHKEJAGLGB-OAGGEKHMSA-N 2 2 330.436 0.127 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027198 790376012 /nfs/dbraw/zinc/37/60/12/790376012.db2.gz RLEGVHKEJAGLGB-OAGGEKHMSA-N 2 2 330.436 0.127 20 30 ECEDLP C#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001070068490 790498722 /nfs/dbraw/zinc/49/87/22/790498722.db2.gz XYAZMMXCNODLPB-SJORKVTESA-N 2 2 344.463 0.373 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001070068490 790498729 /nfs/dbraw/zinc/49/87/29/790498729.db2.gz XYAZMMXCNODLPB-SJORKVTESA-N 2 2 344.463 0.373 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1F ZINC001079289064 780964356 /nfs/dbraw/zinc/96/43/56/780964356.db2.gz NTQREZBCYDCXRJ-JQHSSLGASA-N 2 2 345.418 0.674 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1F ZINC001079289064 780964359 /nfs/dbraw/zinc/96/43/59/780964359.db2.gz NTQREZBCYDCXRJ-JQHSSLGASA-N 2 2 345.418 0.674 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070286080 783791106 /nfs/dbraw/zinc/79/11/06/783791106.db2.gz XDVOPIBWOYCVJK-KFWWJZLASA-N 2 2 327.392 0.101 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001070319944 783827209 /nfs/dbraw/zinc/82/72/09/783827209.db2.gz PNTXMZLYGZFKJJ-CABCVRRESA-N 2 2 329.408 0.172 20 30 ECEDLP C=CC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2c1nnc(C)[nH]1 ZINC001070449922 784108708 /nfs/dbraw/zinc/10/87/08/784108708.db2.gz YEIZOJDTOREZHP-GJZGRUSLSA-N 2 2 346.479 0.867 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001070975205 784288858 /nfs/dbraw/zinc/28/88/58/784288858.db2.gz HDPPIKCBUZZFKK-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001070975205 784288861 /nfs/dbraw/zinc/28/88/61/784288861.db2.gz HDPPIKCBUZZFKK-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001070975205 784288865 /nfs/dbraw/zinc/28/88/65/784288865.db2.gz HDPPIKCBUZZFKK-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001070975205 784288867 /nfs/dbraw/zinc/28/88/67/784288867.db2.gz HDPPIKCBUZZFKK-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001071005939 784387022 /nfs/dbraw/zinc/38/70/22/784387022.db2.gz OEYFDDZLARRYRP-UHFFFAOYSA-N 2 2 336.480 0.555 20 30 ECEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001071005939 784387035 /nfs/dbraw/zinc/38/70/35/784387035.db2.gz OEYFDDZLARRYRP-UHFFFAOYSA-N 2 2 336.480 0.555 20 30 ECEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C[NH+](C)C)on1)C[C@H](C)O2 ZINC001071183264 784682607 /nfs/dbraw/zinc/68/26/07/784682607.db2.gz LSVGVLHRHARACM-KBXCAEBGSA-N 2 2 346.431 0.675 20 30 ECEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C[NH+](C)C)on1)C[C@H](C)O2 ZINC001071183264 784682611 /nfs/dbraw/zinc/68/26/11/784682611.db2.gz LSVGVLHRHARACM-KBXCAEBGSA-N 2 2 346.431 0.675 20 30 ECEDLP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@H](C)O2 ZINC001071192773 784705913 /nfs/dbraw/zinc/70/59/13/784705913.db2.gz RKPMAHQESUYAQO-WMZOPIPTSA-N 2 2 330.432 0.907 20 30 ECEDLP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@H](C)O2 ZINC001071192773 784705919 /nfs/dbraw/zinc/70/59/19/784705919.db2.gz RKPMAHQESUYAQO-WMZOPIPTSA-N 2 2 330.432 0.907 20 30 ECEDLP C=C(Cl)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660924 786904870 /nfs/dbraw/zinc/90/48/70/786904870.db2.gz RNHCNVVVNHIERN-QLFBSQMISA-N 2 2 345.871 0.665 20 30 ECEDLP C=C(Cl)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660924 786904875 /nfs/dbraw/zinc/90/48/75/786904875.db2.gz RNHCNVVVNHIERN-QLFBSQMISA-N 2 2 345.871 0.665 20 30 ECEDLP C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660924 786904886 /nfs/dbraw/zinc/90/48/86/786904886.db2.gz RNHCNVVVNHIERN-QLFBSQMISA-N 2 2 345.871 0.665 20 30 ECEDLP C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660924 786904895 /nfs/dbraw/zinc/90/48/95/786904895.db2.gz RNHCNVVVNHIERN-QLFBSQMISA-N 2 2 345.871 0.665 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670856 786926543 /nfs/dbraw/zinc/92/65/43/786926543.db2.gz QCPIYYSOQGSNMQ-NVXWUHKLSA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670856 786926553 /nfs/dbraw/zinc/92/65/53/786926553.db2.gz QCPIYYSOQGSNMQ-NVXWUHKLSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001073766439 787160937 /nfs/dbraw/zinc/16/09/37/787160937.db2.gz FYMMJRBLECJRCV-MRXNPFEDSA-N 2 2 346.431 0.724 20 30 ECEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001073766439 787160940 /nfs/dbraw/zinc/16/09/40/787160940.db2.gz FYMMJRBLECJRCV-MRXNPFEDSA-N 2 2 346.431 0.724 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001073772814 787175438 /nfs/dbraw/zinc/17/54/38/787175438.db2.gz ZFSWIBHMRCZOAT-ARFHVFGLSA-N 2 2 330.432 0.754 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001073772814 787175441 /nfs/dbraw/zinc/17/54/41/787175441.db2.gz ZFSWIBHMRCZOAT-ARFHVFGLSA-N 2 2 330.432 0.754 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C)C1=O ZINC001075144854 788975569 /nfs/dbraw/zinc/97/55/69/788975569.db2.gz VNSHNKYVPIGXDE-SOUVJXGZSA-N 2 2 331.420 0.249 20 30 ECEDLP C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001266417572 835822510 /nfs/dbraw/zinc/82/25/10/835822510.db2.gz BTUYXOWXWDZKHD-OAHLLOKOSA-N 2 2 347.463 0.494 20 30 ECEDLP C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001266417572 835822516 /nfs/dbraw/zinc/82/25/16/835822516.db2.gz BTUYXOWXWDZKHD-OAHLLOKOSA-N 2 2 347.463 0.494 20 30 ECEDLP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266465566 835867040 /nfs/dbraw/zinc/86/70/40/835867040.db2.gz XRYJOBJKIMKPLB-QGZVFWFLSA-N 2 2 344.459 0.992 20 30 ECEDLP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266465566 835867047 /nfs/dbraw/zinc/86/70/47/835867047.db2.gz XRYJOBJKIMKPLB-QGZVFWFLSA-N 2 2 344.459 0.992 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC001266993648 836577649 /nfs/dbraw/zinc/57/76/49/836577649.db2.gz BMNZDMSOTQDZRM-ZDUSSCGKSA-N 2 2 345.447 0.887 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267764655 838497600 /nfs/dbraw/zinc/49/76/00/838497600.db2.gz XGMRAEDXPUPWHI-INIZCTEOSA-N 2 2 348.491 0.533 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001268048268 839220554 /nfs/dbraw/zinc/22/05/54/839220554.db2.gz POXFYUHMHNQJBX-OAHLLOKOSA-N 2 2 345.447 0.498 20 30 ECEDLP C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261958216 436898249 /nfs/dbraw/zinc/89/82/49/436898249.db2.gz JJKGFDSXXDYBMT-TZMCWYRMSA-N 2 2 330.440 0.979 20 30 ECEDLP N#Cc1cccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000172697735 437025306 /nfs/dbraw/zinc/02/53/06/437025306.db2.gz JATSSEPBJWESIV-KRWDZBQOSA-N 2 2 328.416 0.581 20 30 ECEDLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000328820129 437267414 /nfs/dbraw/zinc/26/74/14/437267414.db2.gz PXFOKLCUWRBDPI-CQSZACIVSA-N 2 2 342.509 0.934 20 30 ECEDLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000328820129 437267417 /nfs/dbraw/zinc/26/74/17/437267417.db2.gz PXFOKLCUWRBDPI-CQSZACIVSA-N 2 2 342.509 0.934 20 30 ECEDLP CCNC(=O)C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000328820129 437267421 /nfs/dbraw/zinc/26/74/21/437267421.db2.gz PXFOKLCUWRBDPI-CQSZACIVSA-N 2 2 342.509 0.934 20 30 ECEDLP CCNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000328820129 437267424 /nfs/dbraw/zinc/26/74/24/437267424.db2.gz PXFOKLCUWRBDPI-CQSZACIVSA-N 2 2 342.509 0.934 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1=O ZINC000337217897 437342396 /nfs/dbraw/zinc/34/23/96/437342396.db2.gz IQIFZVFWYLYTEM-MRXNPFEDSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1=O ZINC000337217897 437342400 /nfs/dbraw/zinc/34/24/00/437342400.db2.gz IQIFZVFWYLYTEM-MRXNPFEDSA-N 2 2 336.480 0.694 20 30 ECEDLP [O-]C(=[NH+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCn2c[nH+]cc2C1 ZINC000329670860 437398442 /nfs/dbraw/zinc/39/84/42/437398442.db2.gz RXSRFWOASQAOEW-CVEARBPZSA-N 2 2 333.436 0.991 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372333615 438071847 /nfs/dbraw/zinc/07/18/47/438071847.db2.gz RHJCLBJTEYRRQI-IRXDYDNUSA-N 2 2 335.496 0.706 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372333615 438071851 /nfs/dbraw/zinc/07/18/51/438071851.db2.gz RHJCLBJTEYRRQI-IRXDYDNUSA-N 2 2 335.496 0.706 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372333613 438072718 /nfs/dbraw/zinc/07/27/18/438072718.db2.gz RHJCLBJTEYRRQI-DLBZAZTESA-N 2 2 335.496 0.706 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372333613 438072724 /nfs/dbraw/zinc/07/27/24/438072724.db2.gz RHJCLBJTEYRRQI-DLBZAZTESA-N 2 2 335.496 0.706 20 30 ECEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374779746 438228127 /nfs/dbraw/zinc/22/81/27/438228127.db2.gz LLWXASCQPMNDJE-MRXNPFEDSA-N 2 2 348.491 0.814 20 30 ECEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374779746 438228130 /nfs/dbraw/zinc/22/81/30/438228130.db2.gz LLWXASCQPMNDJE-MRXNPFEDSA-N 2 2 348.491 0.814 20 30 ECEDLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352784418 438474042 /nfs/dbraw/zinc/47/40/42/438474042.db2.gz OYPLJVULNVUNRZ-QGZVFWFLSA-N 2 2 329.448 0.654 20 30 ECEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352784418 438474046 /nfs/dbraw/zinc/47/40/46/438474046.db2.gz OYPLJVULNVUNRZ-QGZVFWFLSA-N 2 2 329.448 0.654 20 30 ECEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(C[NH+]2CC[C@H](O)C2)c1 ZINC000575862671 438757541 /nfs/dbraw/zinc/75/75/41/438757541.db2.gz IXPYZLZOXLHRKQ-ROUUACIJSA-N 2 2 332.448 0.871 20 30 ECEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(C[NH+]2CC[C@H](O)C2)c1 ZINC000575862671 438757545 /nfs/dbraw/zinc/75/75/45/438757545.db2.gz IXPYZLZOXLHRKQ-ROUUACIJSA-N 2 2 332.448 0.871 20 30 ECEDLP C[NH+](CCC#N)C[C@@H](O)CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000575862671 438757547 /nfs/dbraw/zinc/75/75/47/438757547.db2.gz IXPYZLZOXLHRKQ-ROUUACIJSA-N 2 2 332.448 0.871 20 30 ECEDLP C[NH+](CCC#N)C[C@@H](O)CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000575862671 438757549 /nfs/dbraw/zinc/75/75/49/438757549.db2.gz IXPYZLZOXLHRKQ-ROUUACIJSA-N 2 2 332.448 0.871 20 30 ECEDLP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000563882084 438869079 /nfs/dbraw/zinc/86/90/79/438869079.db2.gz WLZNVGXDMQQSTP-GOSISDBHSA-N 2 2 331.464 0.842 20 30 ECEDLP C=CCNC(=O)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000516973463 438940691 /nfs/dbraw/zinc/94/06/91/438940691.db2.gz UBKRQCZMJFEOPP-INIZCTEOSA-N 2 2 341.415 0.220 20 30 ECEDLP C=CCCCN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000459986854 439050134 /nfs/dbraw/zinc/05/01/34/439050134.db2.gz GSJDJTVLTMCWOA-UHFFFAOYSA-N 2 2 338.496 0.895 20 30 ECEDLP C=CCCCN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459986854 439050139 /nfs/dbraw/zinc/05/01/39/439050139.db2.gz GSJDJTVLTMCWOA-UHFFFAOYSA-N 2 2 338.496 0.895 20 30 ECEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000519176849 439024367 /nfs/dbraw/zinc/02/43/67/439024367.db2.gz LIAGITFMYCGBKS-INIZCTEOSA-N 2 2 332.448 0.878 20 30 ECEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000519176849 439024370 /nfs/dbraw/zinc/02/43/70/439024370.db2.gz LIAGITFMYCGBKS-INIZCTEOSA-N 2 2 332.448 0.878 20 30 ECEDLP N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000592146295 439163519 /nfs/dbraw/zinc/16/35/19/439163519.db2.gz GXWXBWXTVLCLPM-LJQANCHMSA-N 2 2 342.443 0.681 20 30 ECEDLP N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000592146295 439163524 /nfs/dbraw/zinc/16/35/24/439163524.db2.gz GXWXBWXTVLCLPM-LJQANCHMSA-N 2 2 342.443 0.681 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000490973328 439319972 /nfs/dbraw/zinc/31/99/72/439319972.db2.gz KGYVCTLCDSYPPT-FQEVSTJZSA-N 2 2 339.439 0.895 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000490973328 439319976 /nfs/dbraw/zinc/31/99/76/439319976.db2.gz KGYVCTLCDSYPPT-FQEVSTJZSA-N 2 2 339.439 0.895 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@](C(=O)OCC)(C(C)C)C2)CC1 ZINC000491286345 439363471 /nfs/dbraw/zinc/36/34/71/439363471.db2.gz HZHNUPWZKZZSJH-LJQANCHMSA-N 2 2 349.475 0.675 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C(=O)OCC)(C(C)C)C2)CC1 ZINC000491286345 439363476 /nfs/dbraw/zinc/36/34/76/439363476.db2.gz HZHNUPWZKZZSJH-LJQANCHMSA-N 2 2 349.475 0.675 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000491387416 439376521 /nfs/dbraw/zinc/37/65/21/439376521.db2.gz XVHFRBSTUARVNW-PKOBYXMFSA-N 2 2 327.428 0.884 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C3(CCCCC3)C2)CC1 ZINC000491672502 439423251 /nfs/dbraw/zinc/42/32/51/439423251.db2.gz SBWPFWANNNSLFO-UHFFFAOYSA-N 2 2 332.492 0.714 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)C3(CCCCC3)C2)CC1 ZINC000491672502 439423259 /nfs/dbraw/zinc/42/32/59/439423259.db2.gz SBWPFWANNNSLFO-UHFFFAOYSA-N 2 2 332.492 0.714 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000491666957 439423533 /nfs/dbraw/zinc/42/35/33/439423533.db2.gz KKDDIJUZFGXXKC-FGTMMUONSA-N 2 2 332.492 0.426 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000491666957 439423538 /nfs/dbraw/zinc/42/35/38/439423538.db2.gz KKDDIJUZFGXXKC-FGTMMUONSA-N 2 2 332.492 0.426 20 30 ECEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCC3)C2)CC1 ZINC000530335879 439499049 /nfs/dbraw/zinc/49/90/49/439499049.db2.gz DPLQBSXTDAVUIK-CVEARBPZSA-N 2 2 333.480 0.649 20 30 ECEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCC3)C2)CC1 ZINC000530335879 439499051 /nfs/dbraw/zinc/49/90/51/439499051.db2.gz DPLQBSXTDAVUIK-CVEARBPZSA-N 2 2 333.480 0.649 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CC[NH+](C3CC3)CC2)nc1 ZINC000583807722 439513404 /nfs/dbraw/zinc/51/34/04/439513404.db2.gz XMWUJIBUOWGSTA-UHFFFAOYSA-N 2 2 334.445 0.943 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645103953 440749202 /nfs/dbraw/zinc/74/92/02/440749202.db2.gz CWFFXLAKLQIXPX-UHFFFAOYSA-N 2 2 330.436 0.362 20 30 ECEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3cnccc3C#N)CC2)CC1 ZINC000563853574 322348191 /nfs/dbraw/zinc/34/81/91/322348191.db2.gz CVDMJZAMHPAULC-UHFFFAOYSA-N 2 2 342.447 0.239 20 30 ECEDLP C=C(CNC(=O)CCn1cc[nH+]c1)CNC(=O)CCn1cc[nH+]c1 ZINC000620747900 546450790 /nfs/dbraw/zinc/45/07/90/546450790.db2.gz IYSQBMWMDZROHO-UHFFFAOYSA-N 2 2 330.392 0.349 20 30 ECEDLP C[NH+]1CCN(c2ncc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)cn2)CC1 ZINC000755813665 579439481 /nfs/dbraw/zinc/43/94/81/579439481.db2.gz GAMJPFTYSGHFMJ-GJZGRUSLSA-N 2 2 342.451 0.422 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cn(C)nc2C)CC1 ZINC000759426228 579490964 /nfs/dbraw/zinc/49/09/64/579490964.db2.gz NHCIJWBKLUUDGZ-QGZVFWFLSA-N 2 2 329.448 0.643 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)CC1 ZINC000759426228 579490966 /nfs/dbraw/zinc/49/09/66/579490966.db2.gz NHCIJWBKLUUDGZ-QGZVFWFLSA-N 2 2 329.448 0.643 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000730097802 578303239 /nfs/dbraw/zinc/30/32/39/578303239.db2.gz KLQOYIBTQYOGRW-RDJZCZTQSA-N 2 2 337.489 0.408 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000730097802 578303240 /nfs/dbraw/zinc/30/32/40/578303240.db2.gz KLQOYIBTQYOGRW-RDJZCZTQSA-N 2 2 337.489 0.408 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000799178196 578660616 /nfs/dbraw/zinc/66/06/16/578660616.db2.gz HNEPEVADXFZJAH-UHFFFAOYSA-N 3 2 332.492 0.572 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000799178196 578660617 /nfs/dbraw/zinc/66/06/17/578660617.db2.gz HNEPEVADXFZJAH-UHFFFAOYSA-N 3 2 332.492 0.572 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)O[C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000783656087 578744150 /nfs/dbraw/zinc/74/41/50/578744150.db2.gz VNDGKNWHDAMZHL-HNNXBMFYSA-N 2 2 335.448 0.427 20 30 ECEDLP C#CCC[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000776592788 579285375 /nfs/dbraw/zinc/28/53/75/579285375.db2.gz NAUQQOWDOSSIIR-UHFFFAOYSA-N 2 2 344.459 0.565 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000900333596 586537774 /nfs/dbraw/zinc/53/77/74/586537774.db2.gz CXYUTXXWSHDUSN-INIZCTEOSA-N 2 2 327.494 0.818 20 30 ECEDLP CC[NH+]1CCC(NC(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)CC1 ZINC000902304383 586732462 /nfs/dbraw/zinc/73/24/62/586732462.db2.gz MQZJQRUPDOBDSB-UHFFFAOYSA-N 2 2 346.431 0.859 20 30 ECEDLP C#CCN(CN1C[C@@H](c2c[nH+]cn2C)CC1=O)C1CC[NH+](C)CC1 ZINC000902538910 586741249 /nfs/dbraw/zinc/74/12/49/586741249.db2.gz LEUFGEQIRSWZIE-HNNXBMFYSA-N 2 2 329.448 0.723 20 30 ECEDLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(C#N)ccn1 ZINC000902871188 586760584 /nfs/dbraw/zinc/76/05/84/586760584.db2.gz JTIVOCNPRTWVHO-GOEBONIOSA-N 2 2 343.431 0.537 20 30 ECEDLP C=CC[C@]1(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCC[NH2+]1 ZINC000852866850 589520014 /nfs/dbraw/zinc/52/00/14/589520014.db2.gz MLLHQKDYOOLYJD-MRXNPFEDSA-N 2 2 343.493 0.310 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)CC1 ZINC000860206557 589752409 /nfs/dbraw/zinc/75/24/09/589752409.db2.gz RTTLVJVECRHEHJ-LJQANCHMSA-N 2 2 342.443 0.908 20 30 ECEDLP Cc1nn(C[C@H](O)C[N@H+](C)CCC#N)c(C)c1[C@@H]1COCC[NH+]1C ZINC000871986696 590095884 /nfs/dbraw/zinc/09/58/84/590095884.db2.gz PAWUAYPOUBYYFH-CVEARBPZSA-N 2 2 335.452 0.709 20 30 ECEDLP Cc1nn(C[C@H](O)C[N@@H+](C)CCC#N)c(C)c1[C@@H]1COCC[NH+]1C ZINC000871986696 590095885 /nfs/dbraw/zinc/09/58/85/590095885.db2.gz PAWUAYPOUBYYFH-CVEARBPZSA-N 2 2 335.452 0.709 20 30 ECEDLP Cc1nn(C[C@H](O)C[NH+](C)CCC#N)c(C)c1[C@@H]1COCC[N@@H+]1C ZINC000871986696 590095888 /nfs/dbraw/zinc/09/58/88/590095888.db2.gz PAWUAYPOUBYYFH-CVEARBPZSA-N 2 2 335.452 0.709 20 30 ECEDLP Cc1nn(C[C@H](O)C[NH+](C)CCC#N)c(C)c1[C@@H]1COCC[N@H+]1C ZINC000871986696 590095889 /nfs/dbraw/zinc/09/58/89/590095889.db2.gz PAWUAYPOUBYYFH-CVEARBPZSA-N 2 2 335.452 0.709 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC000879580696 590325035 /nfs/dbraw/zinc/32/50/35/590325035.db2.gz JIIRZWUHEZGNSU-BZSNNMDCSA-N 2 2 347.507 0.705 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC000879580696 590325039 /nfs/dbraw/zinc/32/50/39/590325039.db2.gz JIIRZWUHEZGNSU-BZSNNMDCSA-N 2 2 347.507 0.705 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000879580696 590325042 /nfs/dbraw/zinc/32/50/42/590325042.db2.gz JIIRZWUHEZGNSU-BZSNNMDCSA-N 2 2 347.507 0.705 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000879580696 590325044 /nfs/dbraw/zinc/32/50/44/590325044.db2.gz JIIRZWUHEZGNSU-BZSNNMDCSA-N 2 2 347.507 0.705 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262091 590380171 /nfs/dbraw/zinc/38/01/71/590380171.db2.gz SVRCHIMVPMFLIX-UONOGXRCSA-N 2 2 331.420 0.992 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262091 590380174 /nfs/dbraw/zinc/38/01/74/590380174.db2.gz SVRCHIMVPMFLIX-UONOGXRCSA-N 2 2 331.420 0.992 20 30 ECEDLP C[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000876747225 590408376 /nfs/dbraw/zinc/40/83/76/590408376.db2.gz YPZJCMIRMCXZGK-KDOFPFPSSA-N 2 2 342.443 0.830 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000879201969 590570090 /nfs/dbraw/zinc/57/00/90/590570090.db2.gz WNLNELGBHMZDSG-UHFFFAOYSA-N 2 2 332.492 0.714 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000947228283 608750944 /nfs/dbraw/zinc/75/09/44/608750944.db2.gz MLKKKZBZRQIVJS-INIZCTEOSA-N 2 2 343.431 0.088 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000947228283 608750946 /nfs/dbraw/zinc/75/09/46/608750946.db2.gz MLKKKZBZRQIVJS-INIZCTEOSA-N 2 2 343.431 0.088 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408651 610722759 /nfs/dbraw/zinc/72/27/59/610722759.db2.gz OPIVEGNMORXXTA-SJORKVTESA-N 2 2 330.476 0.322 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408651 610722761 /nfs/dbraw/zinc/72/27/61/610722761.db2.gz OPIVEGNMORXXTA-SJORKVTESA-N 2 2 330.476 0.322 20 30 ECEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001041838670 782316098 /nfs/dbraw/zinc/31/60/98/782316098.db2.gz CVICXNAYAGYTEN-MJGOQNOKSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001041838670 782316107 /nfs/dbraw/zinc/31/61/07/782316107.db2.gz CVICXNAYAGYTEN-MJGOQNOKSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nc(CC)no3)C2)CC1 ZINC000970792549 733943486 /nfs/dbraw/zinc/94/34/86/733943486.db2.gz NTUQDQNTHWOTMX-OAHLLOKOSA-N 2 2 345.447 0.668 20 30 ECEDLP C[NH+]=C(NCC[N@@H+]1CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261944252 734828645 /nfs/dbraw/zinc/82/86/45/734828645.db2.gz FHKBWQLSJUPEBM-CQSZACIVSA-N 2 2 344.525 0.803 20 30 ECEDLP C[NH+]=C(NCC[N@H+]1CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261944252 734828647 /nfs/dbraw/zinc/82/86/47/734828647.db2.gz FHKBWQLSJUPEBM-CQSZACIVSA-N 2 2 344.525 0.803 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167532797 735576218 /nfs/dbraw/zinc/57/62/18/735576218.db2.gz ZTSNVFZBPQCBIL-CYBMUJFWSA-N 2 2 333.436 0.519 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972450141 736229921 /nfs/dbraw/zinc/22/99/21/736229921.db2.gz RUNPAPOZEXADFF-GOSISDBHSA-N 2 2 331.460 0.941 20 30 ECEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972450141 736229925 /nfs/dbraw/zinc/22/99/25/736229925.db2.gz RUNPAPOZEXADFF-GOSISDBHSA-N 2 2 331.460 0.941 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@H]2O)CC1 ZINC001078226981 782522039 /nfs/dbraw/zinc/52/20/39/782522039.db2.gz CMPBZLAZFBRZIR-ARFHVFGLSA-N 2 2 325.428 0.241 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@H]2O)CC1 ZINC001078226981 782522048 /nfs/dbraw/zinc/52/20/48/782522048.db2.gz CMPBZLAZFBRZIR-ARFHVFGLSA-N 2 2 325.428 0.241 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001023424126 736807443 /nfs/dbraw/zinc/80/74/43/736807443.db2.gz OMUXIRVLQBOMGC-SJORKVTESA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001023424126 736807444 /nfs/dbraw/zinc/80/74/44/736807444.db2.gz OMUXIRVLQBOMGC-SJORKVTESA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(=O)N2CCC2)C1 ZINC001023424126 736807449 /nfs/dbraw/zinc/80/74/49/736807449.db2.gz OMUXIRVLQBOMGC-SJORKVTESA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(=O)N2CCC2)C1 ZINC001023424126 736807456 /nfs/dbraw/zinc/80/74/56/736807456.db2.gz OMUXIRVLQBOMGC-SJORKVTESA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001024022021 737626390 /nfs/dbraw/zinc/62/63/90/737626390.db2.gz ONTBOSBZTPBJRV-ZBFHGGJFSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001024022021 737626393 /nfs/dbraw/zinc/62/63/93/737626393.db2.gz ONTBOSBZTPBJRV-ZBFHGGJFSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)nn1 ZINC001105275594 741621775 /nfs/dbraw/zinc/62/17/75/741621775.db2.gz VPLVAQBWYRUSMX-UHFFFAOYSA-N 2 2 349.398 0.654 20 30 ECEDLP C#CCN1CC[NH+](C2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000996795005 742876084 /nfs/dbraw/zinc/87/60/84/742876084.db2.gz HMTKRFIOFGAXAO-UHFFFAOYSA-N 2 2 329.448 0.630 20 30 ECEDLP C[NH+]=C(NCc1ccsc1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000262017223 743435799 /nfs/dbraw/zinc/43/57/99/743435799.db2.gz XZVXCMAUZMHIIU-UHFFFAOYSA-N 2 2 337.493 0.919 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000999390724 744671226 /nfs/dbraw/zinc/67/12/26/744671226.db2.gz HDLZYCKKEFQCEW-HIFRSBDPSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000999390724 744671229 /nfs/dbraw/zinc/67/12/29/744671229.db2.gz HDLZYCKKEFQCEW-HIFRSBDPSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001001682531 746596806 /nfs/dbraw/zinc/59/68/06/746596806.db2.gz BKYCGOLKZQBPJJ-SFHVURJKSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[NH+]1CCC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001001682531 746596807 /nfs/dbraw/zinc/59/68/07/746596807.db2.gz BKYCGOLKZQBPJJ-SFHVURJKSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001088239932 747934681 /nfs/dbraw/zinc/93/46/81/747934681.db2.gz LAGMIWFTWXXMSZ-MRXNPFEDSA-N 2 2 330.432 0.915 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001088239932 747934685 /nfs/dbraw/zinc/93/46/85/747934685.db2.gz LAGMIWFTWXXMSZ-MRXNPFEDSA-N 2 2 330.432 0.915 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001098734682 749169160 /nfs/dbraw/zinc/16/91/60/749169160.db2.gz WGNMJQRSIDADNB-GOEBONIOSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001098734682 749169165 /nfs/dbraw/zinc/16/91/65/749169165.db2.gz WGNMJQRSIDADNB-GOEBONIOSA-N 2 2 330.436 0.116 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000985826394 749185353 /nfs/dbraw/zinc/18/53/53/749185353.db2.gz XYFLJMZGHNZOLE-INIZCTEOSA-N 2 2 349.479 0.148 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000985826394 749185355 /nfs/dbraw/zinc/18/53/55/749185355.db2.gz XYFLJMZGHNZOLE-INIZCTEOSA-N 2 2 349.479 0.148 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)nn1 ZINC001105363044 752324231 /nfs/dbraw/zinc/32/42/31/752324231.db2.gz PBHNYHVQFJBSLE-GDBMZVCRSA-N 2 2 344.463 0.505 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001028603695 753900253 /nfs/dbraw/zinc/90/02/53/753900253.db2.gz HMPSTMFZWOVNLV-AEFFLSMTSA-N 2 2 343.475 0.939 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001028603695 753900259 /nfs/dbraw/zinc/90/02/59/753900259.db2.gz HMPSTMFZWOVNLV-AEFFLSMTSA-N 2 2 343.475 0.939 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001028603695 753900264 /nfs/dbraw/zinc/90/02/64/753900264.db2.gz HMPSTMFZWOVNLV-AEFFLSMTSA-N 2 2 343.475 0.939 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001028603695 753900272 /nfs/dbraw/zinc/90/02/72/753900272.db2.gz HMPSTMFZWOVNLV-AEFFLSMTSA-N 2 2 343.475 0.939 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000088295070 754557028 /nfs/dbraw/zinc/55/70/28/754557028.db2.gz HCMHRNSTCATNMC-MJBXVCDLSA-N 2 2 334.468 0.965 20 30 ECEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105673495 755800644 /nfs/dbraw/zinc/80/06/44/755800644.db2.gz MFKZLDUJBDZVQA-RWQQGDIJSA-N 2 2 344.459 0.873 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001077125560 758292842 /nfs/dbraw/zinc/29/28/42/758292842.db2.gz XGPYXDPEPSYYFX-HOCLYGCPSA-N 2 2 345.447 0.300 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001077125560 758292854 /nfs/dbraw/zinc/29/28/54/758292854.db2.gz XGPYXDPEPSYYFX-HOCLYGCPSA-N 2 2 345.447 0.300 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnc(C)o2)C1 ZINC001051660257 762617865 /nfs/dbraw/zinc/61/78/65/762617865.db2.gz PTWMKPQWJKIQQV-SJORKVTESA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cnc(C)o2)C1 ZINC001051660257 762617867 /nfs/dbraw/zinc/61/78/67/762617867.db2.gz PTWMKPQWJKIQQV-SJORKVTESA-N 2 2 346.431 0.398 20 30 ECEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077394891 758984548 /nfs/dbraw/zinc/98/45/48/758984548.db2.gz JAMUGTXRLDPAGR-IAGOWNOFSA-N 2 2 339.399 0.425 20 30 ECEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077394891 758984553 /nfs/dbraw/zinc/98/45/53/758984553.db2.gz JAMUGTXRLDPAGR-IAGOWNOFSA-N 2 2 339.399 0.425 20 30 ECEDLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001032201782 759581880 /nfs/dbraw/zinc/58/18/80/759581880.db2.gz JYSDCGGVTBFSIU-SFHVURJKSA-N 2 2 342.443 0.827 20 30 ECEDLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001032201782 759581884 /nfs/dbraw/zinc/58/18/84/759581884.db2.gz JYSDCGGVTBFSIU-SFHVURJKSA-N 2 2 342.443 0.827 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cc(C)ncn3)C2)CC1 ZINC001032207183 759629009 /nfs/dbraw/zinc/62/90/09/759629009.db2.gz GSTBMDANBLJCTE-UHFFFAOYSA-N 2 2 341.459 0.678 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107079334 759799746 /nfs/dbraw/zinc/79/97/46/759799746.db2.gz YHZQRCZYJXLWKV-RBSFLKMASA-N 2 2 333.436 0.258 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001030032204 761267870 /nfs/dbraw/zinc/26/78/70/761267870.db2.gz FLCCMWMHGCYTPQ-XHSDSOJGSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001030032204 761267873 /nfs/dbraw/zinc/26/78/73/761267873.db2.gz FLCCMWMHGCYTPQ-XHSDSOJGSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001030032204 761267876 /nfs/dbraw/zinc/26/78/76/761267876.db2.gz FLCCMWMHGCYTPQ-XHSDSOJGSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001030032204 761267878 /nfs/dbraw/zinc/26/78/78/761267878.db2.gz FLCCMWMHGCYTPQ-XHSDSOJGSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2(C)CCN(C(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC000940483512 763340179 /nfs/dbraw/zinc/34/01/79/763340179.db2.gz HJBLRCJYXOQMLW-HNNXBMFYSA-N 2 2 345.447 0.641 20 30 ECEDLP N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)cc1 ZINC001051949274 763423546 /nfs/dbraw/zinc/42/35/46/763423546.db2.gz YECXFLAUDKALBG-KRWDZBQOSA-N 2 2 339.399 0.772 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937287 763506279 /nfs/dbraw/zinc/50/62/79/763506279.db2.gz RRWRXTQUNOVSSB-HZPDHXFCSA-N 2 2 332.448 0.687 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001052048241 763695511 /nfs/dbraw/zinc/69/55/11/763695511.db2.gz ORYULIBDSAXMLB-QGZVFWFLSA-N 2 2 330.476 0.467 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001052048241 763695514 /nfs/dbraw/zinc/69/55/14/763695514.db2.gz ORYULIBDSAXMLB-QGZVFWFLSA-N 2 2 330.476 0.467 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001047435311 764337197 /nfs/dbraw/zinc/33/71/97/764337197.db2.gz IVVIZHDIXSZKPY-JYJNAYRXSA-N 2 2 332.448 0.915 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001047435311 764337200 /nfs/dbraw/zinc/33/72/00/764337200.db2.gz IVVIZHDIXSZKPY-JYJNAYRXSA-N 2 2 332.448 0.915 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001047437575 764341691 /nfs/dbraw/zinc/34/16/91/764341691.db2.gz VRPDTLPJPIRILR-HOTGVXAUSA-N 2 2 336.436 0.820 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001047437575 764341696 /nfs/dbraw/zinc/34/16/96/764341696.db2.gz VRPDTLPJPIRILR-HOTGVXAUSA-N 2 2 336.436 0.820 20 30 ECEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001047452473 764392079 /nfs/dbraw/zinc/39/20/79/764392079.db2.gz FYNZDICSLOOJDC-HOTGVXAUSA-N 2 2 327.388 0.570 20 30 ECEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001047452473 764392087 /nfs/dbraw/zinc/39/20/87/764392087.db2.gz FYNZDICSLOOJDC-HOTGVXAUSA-N 2 2 327.388 0.570 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cnnn2C)CC1 ZINC001052456014 764535607 /nfs/dbraw/zinc/53/56/07/764535607.db2.gz AVEYVIGBYNPLTD-RDJZCZTQSA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cnnn2C)CC1 ZINC001052456014 764535612 /nfs/dbraw/zinc/53/56/12/764535612.db2.gz AVEYVIGBYNPLTD-RDJZCZTQSA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2cnnn2C)CC1 ZINC001052456014 764535617 /nfs/dbraw/zinc/53/56/17/764535617.db2.gz AVEYVIGBYNPLTD-RDJZCZTQSA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2cnnn2C)CC1 ZINC001052456014 764535623 /nfs/dbraw/zinc/53/56/23/764535623.db2.gz AVEYVIGBYNPLTD-RDJZCZTQSA-N 2 2 344.463 0.383 20 30 ECEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047627322 764923161 /nfs/dbraw/zinc/92/31/61/764923161.db2.gz NTTWPVAAPZYONI-HOTGVXAUSA-N 2 2 348.472 0.719 20 30 ECEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047627322 764923163 /nfs/dbraw/zinc/92/31/63/764923163.db2.gz NTTWPVAAPZYONI-HOTGVXAUSA-N 2 2 348.472 0.719 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001052970853 765433626 /nfs/dbraw/zinc/43/36/26/765433626.db2.gz ZVKPMSMYQMDWFO-HOTGVXAUSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001052970853 765433633 /nfs/dbraw/zinc/43/36/33/765433633.db2.gz ZVKPMSMYQMDWFO-HOTGVXAUSA-N 2 2 345.447 0.641 20 30 ECEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046034414 766714591 /nfs/dbraw/zinc/71/45/91/766714591.db2.gz VDFIHKLECLEKDU-IAGOWNOFSA-N 2 2 333.480 0.603 20 30 ECEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046034414 766714603 /nfs/dbraw/zinc/71/46/03/766714603.db2.gz VDFIHKLECLEKDU-IAGOWNOFSA-N 2 2 333.480 0.603 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001046036176 766725688 /nfs/dbraw/zinc/72/56/88/766725688.db2.gz CARUWJSOUGQYOK-IRXDYDNUSA-N 2 2 336.455 0.272 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCF)C2)CC1 ZINC001046036176 766725695 /nfs/dbraw/zinc/72/56/95/766725695.db2.gz CARUWJSOUGQYOK-IRXDYDNUSA-N 2 2 336.455 0.272 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CCF)C2)CC1 ZINC001046036176 766725705 /nfs/dbraw/zinc/72/57/05/766725705.db2.gz CARUWJSOUGQYOK-IRXDYDNUSA-N 2 2 336.455 0.272 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2CC[NH+](CCF)C2)CC1 ZINC001046036176 766725714 /nfs/dbraw/zinc/72/57/14/766725714.db2.gz CARUWJSOUGQYOK-IRXDYDNUSA-N 2 2 336.455 0.272 20 30 ECEDLP N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001046047547 766779430 /nfs/dbraw/zinc/77/94/30/766779430.db2.gz SYLOJFUQJFIQER-ZWKOTPCHSA-N 2 2 345.491 0.603 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)CO2 ZINC001053953120 767439229 /nfs/dbraw/zinc/43/92/29/767439229.db2.gz MFNODFSZGIIABE-INIZCTEOSA-N 2 2 347.463 0.594 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnc(C)cn2)C1 ZINC001018985878 770483808 /nfs/dbraw/zinc/48/38/08/770483808.db2.gz KFEXBVGRLXAXNC-RDJZCZTQSA-N 2 2 327.432 0.573 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnc(C)cn2)C1 ZINC001018985878 770483814 /nfs/dbraw/zinc/48/38/14/770483814.db2.gz KFEXBVGRLXAXNC-RDJZCZTQSA-N 2 2 327.432 0.573 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106876984 770519656 /nfs/dbraw/zinc/51/96/56/770519656.db2.gz HVCXGQFSHBQSDK-RBSFLKMASA-N 2 2 347.463 0.337 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001020123896 772186334 /nfs/dbraw/zinc/18/63/34/772186334.db2.gz OXIKITBOXYKHHG-QAETUUGQSA-N 2 2 346.475 0.284 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001020123896 772186335 /nfs/dbraw/zinc/18/63/35/772186335.db2.gz OXIKITBOXYKHHG-QAETUUGQSA-N 2 2 346.475 0.284 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001020123896 772186339 /nfs/dbraw/zinc/18/63/39/772186339.db2.gz OXIKITBOXYKHHG-QAETUUGQSA-N 2 2 346.475 0.284 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001020123896 772186340 /nfs/dbraw/zinc/18/63/40/772186340.db2.gz OXIKITBOXYKHHG-QAETUUGQSA-N 2 2 346.475 0.284 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2cnsn2)CC1 ZINC001045321425 775408970 /nfs/dbraw/zinc/40/89/70/775408970.db2.gz PPUAWYMLNGLNIF-INIZCTEOSA-N 2 2 347.488 0.964 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001077903338 781908021 /nfs/dbraw/zinc/90/80/21/781908021.db2.gz YVGGVMVLKMMUFU-HZPDHXFCSA-N 2 2 327.388 0.618 20 30 ECEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001077903338 781908030 /nfs/dbraw/zinc/90/80/30/781908030.db2.gz YVGGVMVLKMMUFU-HZPDHXFCSA-N 2 2 327.388 0.618 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001070231816 783705589 /nfs/dbraw/zinc/70/55/89/783705589.db2.gz OEZSAGDTCQUCLL-HIFRSBDPSA-N 2 2 337.387 0.767 20 30 ECEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442574 784085585 /nfs/dbraw/zinc/08/55/85/784085585.db2.gz JTLLYBUTQKLFCX-LSDHHAIUSA-N 2 2 342.447 0.068 20 30 ECEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442574 784085588 /nfs/dbraw/zinc/08/55/88/784085588.db2.gz JTLLYBUTQKLFCX-LSDHHAIUSA-N 2 2 342.447 0.068 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001071015841 784423800 /nfs/dbraw/zinc/42/38/00/784423800.db2.gz WRBSHLZQIFQAPR-UHFFFAOYSA-N 2 2 334.464 0.309 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001071015841 784423807 /nfs/dbraw/zinc/42/38/07/784423807.db2.gz WRBSHLZQIFQAPR-UHFFFAOYSA-N 2 2 334.464 0.309 20 30 ECEDLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)C1 ZINC001070689878 784557100 /nfs/dbraw/zinc/55/71/00/784557100.db2.gz UODRSOFZNXPBOP-RBSFLKMASA-N 2 2 330.436 0.169 20 30 ECEDLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)C1 ZINC001070689878 784557107 /nfs/dbraw/zinc/55/71/07/784557107.db2.gz UODRSOFZNXPBOP-RBSFLKMASA-N 2 2 330.436 0.169 20 30 ECEDLP C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C(=O)C1 ZINC001071277564 784925170 /nfs/dbraw/zinc/92/51/70/784925170.db2.gz YSTKNTZJPOSBCS-QGZVFWFLSA-N 2 2 348.491 0.794 20 30 ECEDLP C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C(=O)C1 ZINC001071277564 784925175 /nfs/dbraw/zinc/92/51/75/784925175.db2.gz YSTKNTZJPOSBCS-QGZVFWFLSA-N 2 2 348.491 0.794 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001073633683 786826627 /nfs/dbraw/zinc/82/66/27/786826627.db2.gz CQYAEMLDEJHNMU-HZPDHXFCSA-N 2 2 330.432 0.991 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001073633683 786826634 /nfs/dbraw/zinc/82/66/34/786826634.db2.gz CQYAEMLDEJHNMU-HZPDHXFCSA-N 2 2 330.432 0.991 20 30 ECEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073746015 787111979 /nfs/dbraw/zinc/11/19/79/787111979.db2.gz MQNUBJSJZYGAFP-WBVHZDCISA-N 2 2 330.432 0.594 20 30 ECEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073746015 787111982 /nfs/dbraw/zinc/11/19/82/787111982.db2.gz MQNUBJSJZYGAFP-WBVHZDCISA-N 2 2 330.432 0.594 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764870 787157627 /nfs/dbraw/zinc/15/76/27/787157627.db2.gz MPHJTVXYNDOARV-AEFFLSMTSA-N 2 2 344.459 0.984 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764870 787157631 /nfs/dbraw/zinc/15/76/31/787157631.db2.gz MPHJTVXYNDOARV-AEFFLSMTSA-N 2 2 344.459 0.984 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C2)C1 ZINC001072911075 789095261 /nfs/dbraw/zinc/09/52/61/789095261.db2.gz JHGWVMXYDARWFD-QGZVFWFLSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C2)C1 ZINC001072911075 789095268 /nfs/dbraw/zinc/09/52/68/789095268.db2.gz JHGWVMXYDARWFD-QGZVFWFLSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C2)C1 ZINC001072911075 789095279 /nfs/dbraw/zinc/09/52/79/789095279.db2.gz JHGWVMXYDARWFD-QGZVFWFLSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C2)C1 ZINC001072911075 789095291 /nfs/dbraw/zinc/09/52/91/789095291.db2.gz JHGWVMXYDARWFD-QGZVFWFLSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001075415008 789342974 /nfs/dbraw/zinc/34/29/74/789342974.db2.gz CKTSKHWSINDWNN-YJBOKZPZSA-N 2 2 330.432 0.961 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267567777 837788974 /nfs/dbraw/zinc/78/89/74/837788974.db2.gz OWVDIUPBQCVBKK-CVEARBPZSA-N 2 2 345.447 0.412 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267567777 837788982 /nfs/dbraw/zinc/78/89/82/837788982.db2.gz OWVDIUPBQCVBKK-CVEARBPZSA-N 2 2 345.447 0.412 20 30 ECEDLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CCCCC1 ZINC001266334161 835716944 /nfs/dbraw/zinc/71/69/44/835716944.db2.gz ZKRTXLWPUGEDCY-OAHLLOKOSA-N 2 2 349.479 0.329 20 30 ECEDLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CCCCC1 ZINC001266334161 835716948 /nfs/dbraw/zinc/71/69/48/835716948.db2.gz ZKRTXLWPUGEDCY-OAHLLOKOSA-N 2 2 349.479 0.329 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2cnc(C)cn2)CC1 ZINC001266362491 835773225 /nfs/dbraw/zinc/77/32/25/835773225.db2.gz JYQQXUGMTWQVFK-UHFFFAOYSA-N 2 2 329.448 0.678 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2cnc(C)cn2)CC1 ZINC001266362491 835773234 /nfs/dbraw/zinc/77/32/34/835773234.db2.gz JYQQXUGMTWQVFK-UHFFFAOYSA-N 2 2 329.448 0.678 20 30 ECEDLP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001266415824 835821245 /nfs/dbraw/zinc/82/12/45/835821245.db2.gz ZHHHIAMQQVHDPA-WBVHZDCISA-N 2 2 330.432 0.580 20 30 ECEDLP N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001266495892 835895288 /nfs/dbraw/zinc/89/52/88/835895288.db2.gz WVXKZXUXRVVJIP-HNNXBMFYSA-N 2 2 335.452 0.083 20 30 ECEDLP N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001266495892 835895296 /nfs/dbraw/zinc/89/52/96/835895296.db2.gz WVXKZXUXRVVJIP-HNNXBMFYSA-N 2 2 335.452 0.083 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001266501899 835902766 /nfs/dbraw/zinc/90/27/66/835902766.db2.gz NVGSKHQRFNKUKW-HRCADAONSA-N 2 2 336.480 0.693 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001266501899 835902774 /nfs/dbraw/zinc/90/27/74/835902774.db2.gz NVGSKHQRFNKUKW-HRCADAONSA-N 2 2 336.480 0.693 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001266501899 835902781 /nfs/dbraw/zinc/90/27/81/835902781.db2.gz NVGSKHQRFNKUKW-HRCADAONSA-N 2 2 336.480 0.693 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001266501899 835902787 /nfs/dbraw/zinc/90/27/87/835902787.db2.gz NVGSKHQRFNKUKW-HRCADAONSA-N 2 2 336.480 0.693 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266662131 836099837 /nfs/dbraw/zinc/09/98/37/836099837.db2.gz CDSPALVVNCRPPG-SJORKVTESA-N 2 2 330.432 0.846 20 30 ECEDLP COCC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266662131 836099848 /nfs/dbraw/zinc/09/98/48/836099848.db2.gz CDSPALVVNCRPPG-SJORKVTESA-N 2 2 330.432 0.846 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266662126 836099905 /nfs/dbraw/zinc/09/99/05/836099905.db2.gz CDSPALVVNCRPPG-IAGOWNOFSA-N 2 2 330.432 0.846 20 30 ECEDLP COCC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266662126 836099916 /nfs/dbraw/zinc/09/99/16/836099916.db2.gz CDSPALVVNCRPPG-IAGOWNOFSA-N 2 2 330.432 0.846 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266790849 836308575 /nfs/dbraw/zinc/30/85/75/836308575.db2.gz PKVPGABKESHVQZ-CQSZACIVSA-N 2 2 333.436 0.473 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266790849 836308590 /nfs/dbraw/zinc/30/85/90/836308590.db2.gz PKVPGABKESHVQZ-CQSZACIVSA-N 2 2 333.436 0.473 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267633079 838099450 /nfs/dbraw/zinc/09/94/50/838099450.db2.gz ZXKNGVJLHXNPPF-INIZCTEOSA-N 2 2 347.463 0.855 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267633079 838099458 /nfs/dbraw/zinc/09/94/58/838099458.db2.gz ZXKNGVJLHXNPPF-INIZCTEOSA-N 2 2 347.463 0.855 20 30 ECEDLP C#CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001267932022 838814973 /nfs/dbraw/zinc/81/49/73/838814973.db2.gz BGMSRGBNUIFKSR-SHTZXODSSA-N 2 2 345.447 0.119 20 30 ECEDLP O=C(NCC[NH+]1CCOCC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330191317 254629722 /nfs/dbraw/zinc/62/97/22/254629722.db2.gz WYCPCNMXVUDXCM-CVEARBPZSA-N 2 2 340.468 0.200 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCN(C)c3ccccc3C2)CC1 ZINC000081670827 436354767 /nfs/dbraw/zinc/35/47/67/436354767.db2.gz YGAOPIUHWNATLW-UHFFFAOYSA-N 2 2 326.444 0.716 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCN(C)c3ccccc3C2)CC1 ZINC000081670827 436354769 /nfs/dbraw/zinc/35/47/69/436354769.db2.gz YGAOPIUHWNATLW-UHFFFAOYSA-N 2 2 326.444 0.716 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCN(c2ccccc2F)CC1 ZINC000113947611 436638997 /nfs/dbraw/zinc/63/89/97/436638997.db2.gz SLWQZLUEBTWXPC-HNNXBMFYSA-N 2 2 349.454 0.854 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCN(c2ccccc2F)CC1 ZINC000113947611 436638999 /nfs/dbraw/zinc/63/89/99/436638999.db2.gz SLWQZLUEBTWXPC-HNNXBMFYSA-N 2 2 349.454 0.854 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCN(c2ccc(F)cc2)CC1 ZINC000113995802 436639330 /nfs/dbraw/zinc/63/93/30/436639330.db2.gz VFGSCUNPKUMLQJ-KRWDZBQOSA-N 2 2 349.454 0.854 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCN(c2ccc(F)cc2)CC1 ZINC000113995802 436639331 /nfs/dbraw/zinc/63/93/31/436639331.db2.gz VFGSCUNPKUMLQJ-KRWDZBQOSA-N 2 2 349.454 0.854 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000156638079 436819391 /nfs/dbraw/zinc/81/93/91/436819391.db2.gz KWLGXZUDHSUJIM-INIZCTEOSA-N 2 2 349.475 0.818 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000156638079 436819394 /nfs/dbraw/zinc/81/93/94/436819394.db2.gz KWLGXZUDHSUJIM-INIZCTEOSA-N 2 2 349.475 0.818 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000246085782 436772481 /nfs/dbraw/zinc/77/24/81/436772481.db2.gz NFXZXVIIOTXIRC-ZWKOTPCHSA-N 2 2 349.523 0.952 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000246085782 436772485 /nfs/dbraw/zinc/77/24/85/436772485.db2.gz NFXZXVIIOTXIRC-ZWKOTPCHSA-N 2 2 349.523 0.952 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000246085782 436772486 /nfs/dbraw/zinc/77/24/86/436772486.db2.gz NFXZXVIIOTXIRC-ZWKOTPCHSA-N 2 2 349.523 0.952 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000246085782 436772489 /nfs/dbraw/zinc/77/24/89/436772489.db2.gz NFXZXVIIOTXIRC-ZWKOTPCHSA-N 2 2 349.523 0.952 20 30 ECEDLP C=CCC[C@H](O)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000130324567 436835658 /nfs/dbraw/zinc/83/56/58/436835658.db2.gz AAGMIKSVNHFFCC-INIZCTEOSA-N 2 2 347.463 0.762 20 30 ECEDLP C[NH+]=C(NCc1nccs1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261965318 436897361 /nfs/dbraw/zinc/89/73/61/436897361.db2.gz LIMNDHALGGTTNS-UHFFFAOYSA-N 2 2 338.481 0.314 20 30 ECEDLP CCC(=O)N1CC[C@H](NC(NCc2c[nH+]c(N(C)C)n2C)=[NH+]C)C1 ZINC000261986492 436899424 /nfs/dbraw/zinc/89/94/24/436899424.db2.gz QEWGDGPJWOVKAM-LBPRGKRZSA-N 2 2 335.456 0.162 20 30 ECEDLP C[NH+]=C(NCCS(C)(=O)=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261996364 436899983 /nfs/dbraw/zinc/89/99/83/436899983.db2.gz SNIKABUSFAKEQE-STQMWFEESA-N 2 2 327.454 0.386 20 30 ECEDLP COCCNC(=[NH2+])NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000264109350 437017370 /nfs/dbraw/zinc/01/73/70/437017370.db2.gz QKEGWXFMSMJAPB-UHFFFAOYSA-N 2 2 335.452 0.368 20 30 ECEDLP C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000332055332 437202306 /nfs/dbraw/zinc/20/23/06/437202306.db2.gz OIWCLLZRHIXHPZ-LSDHHAIUSA-N 2 2 347.463 0.176 20 30 ECEDLP C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332055332 437202309 /nfs/dbraw/zinc/20/23/09/437202309.db2.gz OIWCLLZRHIXHPZ-LSDHHAIUSA-N 2 2 347.463 0.176 20 30 ECEDLP Cn1nncc1CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000289312705 437399519 /nfs/dbraw/zinc/39/95/19/437399519.db2.gz BKOFDNOVVOLDQU-UHFFFAOYSA-N 2 2 344.419 0.609 20 30 ECEDLP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000330214803 437470204 /nfs/dbraw/zinc/47/02/04/437470204.db2.gz GLNCAUHEBGZHFZ-BZUAXINKSA-N 2 2 340.468 0.274 20 30 ECEDLP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH+]1CCOCC1 ZINC000330214803 437470207 /nfs/dbraw/zinc/47/02/07/437470207.db2.gz GLNCAUHEBGZHFZ-BZUAXINKSA-N 2 2 340.468 0.274 20 30 ECEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[NH+]1CCOCC1 ZINC000330354785 437488556 /nfs/dbraw/zinc/48/85/56/437488556.db2.gz PVRIYCCMERJJJV-UHFFFAOYSA-N 2 2 332.408 0.859 20 30 ECEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000343914070 437694734 /nfs/dbraw/zinc/69/47/34/437694734.db2.gz NYWBBFATFGGOTA-UHFFFAOYSA-N 2 2 334.464 0.450 20 30 ECEDLP C[N@@H+]1CCN(C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)C(=O)C1 ZINC000374727912 438226516 /nfs/dbraw/zinc/22/65/16/438226516.db2.gz CFLLGCYOCAISKI-GOSISDBHSA-N 2 2 342.443 0.830 20 30 ECEDLP C[N@H+]1CCN(C2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)C(=O)C1 ZINC000374727912 438226523 /nfs/dbraw/zinc/22/65/23/438226523.db2.gz CFLLGCYOCAISKI-GOSISDBHSA-N 2 2 342.443 0.830 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378429931 438387645 /nfs/dbraw/zinc/38/76/45/438387645.db2.gz MBXDRNWYDHSOAU-KRWDZBQOSA-N 2 2 335.496 0.849 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378429931 438387649 /nfs/dbraw/zinc/38/76/49/438387649.db2.gz MBXDRNWYDHSOAU-KRWDZBQOSA-N 2 2 335.496 0.849 20 30 ECEDLP CCN(CCC#N)C(=O)CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378429931 438387654 /nfs/dbraw/zinc/38/76/54/438387654.db2.gz MBXDRNWYDHSOAU-KRWDZBQOSA-N 2 2 335.496 0.849 20 30 ECEDLP CCN(CCC#N)C(=O)CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378429931 438387657 /nfs/dbraw/zinc/38/76/57/438387657.db2.gz MBXDRNWYDHSOAU-KRWDZBQOSA-N 2 2 335.496 0.849 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000578533060 438930465 /nfs/dbraw/zinc/93/04/65/438930465.db2.gz PNUBKUUDXDWFEY-IRXDYDNUSA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000578533060 438930470 /nfs/dbraw/zinc/93/04/70/438930470.db2.gz PNUBKUUDXDWFEY-IRXDYDNUSA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000578533032 438931778 /nfs/dbraw/zinc/93/17/78/438931778.db2.gz PNUBKUUDXDWFEY-IAGOWNOFSA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000578533032 438931785 /nfs/dbraw/zinc/93/17/85/438931785.db2.gz PNUBKUUDXDWFEY-IAGOWNOFSA-N 2 2 333.432 0.734 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(CCC#N)CC3)C2)CC1 ZINC000601574195 438934656 /nfs/dbraw/zinc/93/46/56/438934656.db2.gz JCLHCIGWGDLUGQ-MRXNPFEDSA-N 2 2 348.495 0.396 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(CCC#N)CC3)C2)CC1 ZINC000601574195 438934658 /nfs/dbraw/zinc/93/46/58/438934658.db2.gz JCLHCIGWGDLUGQ-MRXNPFEDSA-N 2 2 348.495 0.396 20 30 ECEDLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000566123391 439009924 /nfs/dbraw/zinc/00/99/24/439009924.db2.gz IVRCLNNEGNFDOZ-ZWKOTPCHSA-N 2 2 342.443 0.704 20 30 ECEDLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000566123391 439009927 /nfs/dbraw/zinc/00/99/27/439009927.db2.gz IVRCLNNEGNFDOZ-ZWKOTPCHSA-N 2 2 342.443 0.704 20 30 ECEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000566904865 439096709 /nfs/dbraw/zinc/09/67/09/439096709.db2.gz YTMDHTXQBFTNNJ-KRWDZBQOSA-N 2 2 343.431 0.374 20 30 ECEDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000580183103 439068423 /nfs/dbraw/zinc/06/84/23/439068423.db2.gz SZIKFFQVLLXHRA-UXLLHSPISA-N 2 2 333.432 0.997 20 30 ECEDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000580183103 439068426 /nfs/dbraw/zinc/06/84/26/439068426.db2.gz SZIKFFQVLLXHRA-UXLLHSPISA-N 2 2 333.432 0.997 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@](O)(CC#N)C3)C2)CC1 ZINC000591960048 439122328 /nfs/dbraw/zinc/12/23/28/439122328.db2.gz RPKMCLMPCBIXLG-PBHICJAKSA-N 2 2 335.452 0.215 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@](O)(CC#N)C3)C2)CC1 ZINC000591960048 439122335 /nfs/dbraw/zinc/12/23/35/439122335.db2.gz RPKMCLMPCBIXLG-PBHICJAKSA-N 2 2 335.452 0.215 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)CC1 ZINC000491405250 439378084 /nfs/dbraw/zinc/37/80/84/439378084.db2.gz HRBDCYLDWSZVQZ-KZNAEPCWSA-N 2 2 346.475 0.000 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(O[C@@H]3CCOC3)CC2)CC1 ZINC000491728372 439437208 /nfs/dbraw/zinc/43/72/08/439437208.db2.gz MGCIKXAMKDLPDI-QGZVFWFLSA-N 2 2 335.448 0.034 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595138873 439661285 /nfs/dbraw/zinc/66/12/85/439661285.db2.gz HXOYWLTYRILTOY-GOSISDBHSA-N 2 2 349.479 0.233 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595138873 439661288 /nfs/dbraw/zinc/66/12/88/439661288.db2.gz HXOYWLTYRILTOY-GOSISDBHSA-N 2 2 349.479 0.233 20 30 ECEDLP C=CCCn1cc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000655937172 440652206 /nfs/dbraw/zinc/65/22/06/440652206.db2.gz VBQBJBOWLIGANP-HNNXBMFYSA-N 2 2 332.452 0.498 20 30 ECEDLP C=CCCn1cc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000655937172 440652213 /nfs/dbraw/zinc/65/22/13/440652213.db2.gz VBQBJBOWLIGANP-HNNXBMFYSA-N 2 2 332.452 0.498 20 30 ECEDLP C=CCn1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000644935782 440718772 /nfs/dbraw/zinc/71/87/72/440718772.db2.gz BZZRPGNESZGVQD-CQSZACIVSA-N 2 2 347.467 0.432 20 30 ECEDLP C=CCn1cc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000644935782 440718781 /nfs/dbraw/zinc/71/87/81/440718781.db2.gz BZZRPGNESZGVQD-CQSZACIVSA-N 2 2 347.467 0.432 20 30 ECEDLP NC(=[NH+]OCC(=O)NC1CC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725791960 578133757 /nfs/dbraw/zinc/13/37/57/578133757.db2.gz BMNAEVAVBQGOGD-UHFFFAOYSA-N 2 2 332.404 0.434 20 30 ECEDLP C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000776225237 579277941 /nfs/dbraw/zinc/27/79/41/579277941.db2.gz AKHSDZMIVOXMMZ-SQNIBIBYSA-N 2 2 348.491 0.977 20 30 ECEDLP C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000776225237 579277943 /nfs/dbraw/zinc/27/79/43/579277943.db2.gz AKHSDZMIVOXMMZ-SQNIBIBYSA-N 2 2 348.491 0.977 20 30 ECEDLP C#CCC[NH+]1CCN(CCOCCN2CC[NH+](CCC#C)CC2)CC1 ZINC000776593883 579285589 /nfs/dbraw/zinc/28/55/89/579285589.db2.gz OTSOPOAIHDVNSS-UHFFFAOYSA-N 2 2 346.519 0.285 20 30 ECEDLP C#CCCN1CC[NH+](CCOCCN2CC[NH+](CCC#C)CC2)CC1 ZINC000776593883 579285590 /nfs/dbraw/zinc/28/55/90/579285590.db2.gz OTSOPOAIHDVNSS-UHFFFAOYSA-N 2 2 346.519 0.285 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000764999651 579581704 /nfs/dbraw/zinc/58/17/04/579581704.db2.gz LAVJUEFYVRBIMP-GOSISDBHSA-N 2 2 326.444 0.723 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000764999651 579581705 /nfs/dbraw/zinc/58/17/05/579581705.db2.gz LAVJUEFYVRBIMP-GOSISDBHSA-N 2 2 326.444 0.723 20 30 ECEDLP C#CC[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000843076344 589049447 /nfs/dbraw/zinc/04/94/47/589049447.db2.gz GRWBRMWHWCBFIJ-FUHWJXTLSA-N 2 2 347.459 0.152 20 30 ECEDLP C#CCOCC[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819228221 587473118 /nfs/dbraw/zinc/47/31/18/587473118.db2.gz GZAURASQNRSALH-GOSISDBHSA-N 2 2 347.459 0.418 20 30 ECEDLP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000844194066 589101989 /nfs/dbraw/zinc/10/19/89/589101989.db2.gz WADCEQHMOIWZDM-BHYGNILZSA-N 3 2 338.415 0.029 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)c2ccccc2F)CC1 ZINC000830351365 588369479 /nfs/dbraw/zinc/36/94/79/588369479.db2.gz QKUAXOFSSSMWDR-KRWDZBQOSA-N 2 2 333.407 0.616 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000847489177 589251211 /nfs/dbraw/zinc/25/12/11/589251211.db2.gz LCEWRIRTPOPOTR-UHFFFAOYSA-N 3 2 346.519 0.960 20 30 ECEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000853126431 589532672 /nfs/dbraw/zinc/53/26/72/589532672.db2.gz LPZQGRHYEABWGX-GOSISDBHSA-N 2 2 328.460 0.532 20 30 ECEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000853126431 589532674 /nfs/dbraw/zinc/53/26/74/589532674.db2.gz LPZQGRHYEABWGX-GOSISDBHSA-N 2 2 328.460 0.532 20 30 ECEDLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NCC#N)C2)ccn1 ZINC000856592507 589667895 /nfs/dbraw/zinc/66/78/95/589667895.db2.gz UXNMAOGXBDEBRK-INIZCTEOSA-N 2 2 331.420 0.626 20 30 ECEDLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(=O)NCC#N)C2)ccn1 ZINC000856592507 589667897 /nfs/dbraw/zinc/66/78/97/589667897.db2.gz UXNMAOGXBDEBRK-INIZCTEOSA-N 2 2 331.420 0.626 20 30 ECEDLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(=O)NCC#N)C2)ccn1 ZINC000856592507 589667898 /nfs/dbraw/zinc/66/78/98/589667898.db2.gz UXNMAOGXBDEBRK-INIZCTEOSA-N 2 2 331.420 0.626 20 30 ECEDLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)ccn1 ZINC000856592507 589667899 /nfs/dbraw/zinc/66/78/99/589667899.db2.gz UXNMAOGXBDEBRK-INIZCTEOSA-N 2 2 331.420 0.626 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(=O)OC)[C@@H]3CCC[C@@H]32)CC1 ZINC000859951112 589730933 /nfs/dbraw/zinc/73/09/33/589730933.db2.gz JOTYHHIUAIKEHO-ULQDDVLXSA-N 2 2 347.459 0.427 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]3CCC[C@@H]32)CC1 ZINC000859951112 589730934 /nfs/dbraw/zinc/73/09/34/589730934.db2.gz JOTYHHIUAIKEHO-ULQDDVLXSA-N 2 2 347.459 0.427 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000876715052 590401826 /nfs/dbraw/zinc/40/18/26/590401826.db2.gz GLQKASKUZAXEJE-AAEUAGOBSA-N 2 2 328.844 0.268 20 30 ECEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876723773 590404058 /nfs/dbraw/zinc/40/40/58/590404058.db2.gz HDGGIAXPQFJQDM-DYVFJYSZSA-N 2 2 328.416 0.582 20 30 ECEDLP C[C@H]([C@H](C)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000876756397 590409861 /nfs/dbraw/zinc/40/98/61/590409861.db2.gz TWJNUBFLPQSMGY-IYOUNJFTSA-N 2 2 342.443 0.970 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000876758101 590410279 /nfs/dbraw/zinc/41/02/79/590410279.db2.gz IBUSOOAMASGZIO-LBPRGKRZSA-N 2 2 327.816 0.624 20 30 ECEDLP C[NH+]1CCN(CCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876780164 590413838 /nfs/dbraw/zinc/41/38/38/590413838.db2.gz RMGGMFXCRALEFT-SFHVURJKSA-N 2 2 341.459 0.499 20 30 ECEDLP CN1CC[NH+](CCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876780164 590413839 /nfs/dbraw/zinc/41/38/39/590413839.db2.gz RMGGMFXCRALEFT-SFHVURJKSA-N 2 2 341.459 0.499 20 30 ECEDLP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000876782695 590414244 /nfs/dbraw/zinc/41/42/44/590414244.db2.gz SXVAWHORAKFBOS-KBXCAEBGSA-N 2 2 341.459 0.497 20 30 ECEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876783577 590415157 /nfs/dbraw/zinc/41/51/57/590415157.db2.gz HGLDGEPSNUCXQK-RDJZCZTQSA-N 2 2 327.432 0.107 20 30 ECEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876783577 590415158 /nfs/dbraw/zinc/41/51/58/590415158.db2.gz HGLDGEPSNUCXQK-RDJZCZTQSA-N 2 2 327.432 0.107 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[N@@H+]1CCCOCC1 ZINC000876891506 590423399 /nfs/dbraw/zinc/42/33/99/590423399.db2.gz ZOJVMJJLDWDOIU-KRWDZBQOSA-N 2 2 328.416 0.584 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[N@H+]1CCCOCC1 ZINC000876891506 590423401 /nfs/dbraw/zinc/42/34/01/590423401.db2.gz ZOJVMJJLDWDOIU-KRWDZBQOSA-N 2 2 328.416 0.584 20 30 ECEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](Cc3cccnc3)CC1)C2 ZINC000884306017 590800903 /nfs/dbraw/zinc/80/09/03/590800903.db2.gz PZJVNCCCZLOWBG-TVRKMHQQSA-N 2 2 339.443 0.865 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000887668010 590989863 /nfs/dbraw/zinc/98/98/63/590989863.db2.gz HMMVVFSRVWTHMK-ZWKOTPCHSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000887668010 590989867 /nfs/dbraw/zinc/98/98/67/590989867.db2.gz HMMVVFSRVWTHMK-ZWKOTPCHSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000887668010 590989870 /nfs/dbraw/zinc/98/98/70/590989870.db2.gz HMMVVFSRVWTHMK-ZWKOTPCHSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000887668010 590989874 /nfs/dbraw/zinc/98/98/74/590989874.db2.gz HMMVVFSRVWTHMK-ZWKOTPCHSA-N 2 2 349.523 0.655 20 30 ECEDLP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000941456247 610318555 /nfs/dbraw/zinc/31/85/55/610318555.db2.gz MHZFNQGKEFAJJO-NVXWUHKLSA-N 2 2 336.480 0.110 20 30 ECEDLP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000941456247 610318557 /nfs/dbraw/zinc/31/85/57/610318557.db2.gz MHZFNQGKEFAJJO-NVXWUHKLSA-N 2 2 336.480 0.110 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC000941537941 610357286 /nfs/dbraw/zinc/35/72/86/610357286.db2.gz RFVLIOQJESXREV-UHFFFAOYSA-N 2 2 344.459 0.807 20 30 ECEDLP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000949326477 611939962 /nfs/dbraw/zinc/93/99/62/611939962.db2.gz VHNDVUXQMFGSCN-MRXNPFEDSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000949326477 611939964 /nfs/dbraw/zinc/93/99/64/611939964.db2.gz VHNDVUXQMFGSCN-MRXNPFEDSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC000949326477 611939966 /nfs/dbraw/zinc/93/99/66/611939966.db2.gz VHNDVUXQMFGSCN-MRXNPFEDSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC000949326477 611939968 /nfs/dbraw/zinc/93/99/68/611939968.db2.gz VHNDVUXQMFGSCN-MRXNPFEDSA-N 2 2 335.448 0.034 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC000969518226 731944680 /nfs/dbraw/zinc/94/46/80/731944680.db2.gz FMVWLPOJFLLOMB-CABCVRRESA-N 2 2 331.420 0.251 20 30 ECEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083194129 732660210 /nfs/dbraw/zinc/66/02/10/732660210.db2.gz XSNFGUSBJPFYQI-DLBZAZTESA-N 2 2 346.431 0.982 20 30 ECEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083194129 732660214 /nfs/dbraw/zinc/66/02/14/732660214.db2.gz XSNFGUSBJPFYQI-DLBZAZTESA-N 2 2 346.431 0.982 20 30 ECEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001209420586 732894979 /nfs/dbraw/zinc/89/49/79/732894979.db2.gz VQVLKZHRMGHPCU-HOCLYGCPSA-N 2 2 333.436 0.614 20 30 ECEDLP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001209420586 732894984 /nfs/dbraw/zinc/89/49/84/732894984.db2.gz VQVLKZHRMGHPCU-HOCLYGCPSA-N 2 2 333.436 0.614 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2nccnc2C)C1 ZINC000971703367 734965133 /nfs/dbraw/zinc/96/51/33/734965133.db2.gz FUGKAPCZUKXTJF-AEFFLSMTSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2nccnc2C)C1 ZINC000971703367 734965135 /nfs/dbraw/zinc/96/51/35/734965135.db2.gz FUGKAPCZUKXTJF-AEFFLSMTSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2nccnc2C)C1 ZINC000971703367 734965138 /nfs/dbraw/zinc/96/51/38/734965138.db2.gz FUGKAPCZUKXTJF-AEFFLSMTSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2nccnc2C)C1 ZINC000971703367 734965139 /nfs/dbraw/zinc/96/51/39/734965139.db2.gz FUGKAPCZUKXTJF-AEFFLSMTSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cnnn2CC)C1 ZINC000971703630 734965176 /nfs/dbraw/zinc/96/51/76/734965176.db2.gz JXBLDXUTEZKWBC-RDJZCZTQSA-N 2 2 344.463 0.428 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cnnn2CC)C1 ZINC000971703630 734965179 /nfs/dbraw/zinc/96/51/79/734965179.db2.gz JXBLDXUTEZKWBC-RDJZCZTQSA-N 2 2 344.463 0.428 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cnnn2CC)C1 ZINC000971703630 734965180 /nfs/dbraw/zinc/96/51/80/734965180.db2.gz JXBLDXUTEZKWBC-RDJZCZTQSA-N 2 2 344.463 0.428 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cnnn2CC)C1 ZINC000971703630 734965182 /nfs/dbraw/zinc/96/51/82/734965182.db2.gz JXBLDXUTEZKWBC-RDJZCZTQSA-N 2 2 344.463 0.428 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](F)CC)C[C@H]2O)CC1 ZINC001078226982 782522389 /nfs/dbraw/zinc/52/23/89/782522389.db2.gz CMPBZLAZFBRZIR-BZUAXINKSA-N 2 2 325.428 0.241 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@H]2O)CC1 ZINC001078226982 782522399 /nfs/dbraw/zinc/52/23/99/782522399.db2.gz CMPBZLAZFBRZIR-BZUAXINKSA-N 2 2 325.428 0.241 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972675621 737348439 /nfs/dbraw/zinc/34/84/39/737348439.db2.gz CSDWIYZYTDOOOG-IEBWSBKVSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972675621 737348444 /nfs/dbraw/zinc/34/84/44/737348444.db2.gz CSDWIYZYTDOOOG-IEBWSBKVSA-N 2 2 349.475 0.281 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001105264364 741595260 /nfs/dbraw/zinc/59/52/60/741595260.db2.gz GKGVCITVFAODDE-INIZCTEOSA-N 2 2 332.452 0.361 20 30 ECEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)nn1 ZINC001105270740 741615296 /nfs/dbraw/zinc/61/52/96/741615296.db2.gz KDCAENGMNKCATI-UHFFFAOYSA-N 2 2 349.398 0.964 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=O)NC)CC1 ZINC000997146569 743287362 /nfs/dbraw/zinc/28/73/62/743287362.db2.gz DHPMQKUUWJNIQK-ZBFHGGJFSA-N 2 2 334.464 0.047 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=O)NC)CC1 ZINC000997146569 743287367 /nfs/dbraw/zinc/28/73/67/743287367.db2.gz DHPMQKUUWJNIQK-ZBFHGGJFSA-N 2 2 334.464 0.047 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000998821975 744360231 /nfs/dbraw/zinc/36/02/31/744360231.db2.gz FNFHTOZYQBUFLH-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000998821975 744360236 /nfs/dbraw/zinc/36/02/36/744360236.db2.gz FNFHTOZYQBUFLH-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000999390705 744670796 /nfs/dbraw/zinc/67/07/96/744670796.db2.gz GYCCWIIJJZAHJY-RDJZCZTQSA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000999390705 744670797 /nfs/dbraw/zinc/67/07/97/744670797.db2.gz GYCCWIIJJZAHJY-RDJZCZTQSA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000999391187 744671565 /nfs/dbraw/zinc/67/15/65/744671565.db2.gz IUTXGDZMWCHPGL-RDJZCZTQSA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000999391187 744671567 /nfs/dbraw/zinc/67/15/67/744671567.db2.gz IUTXGDZMWCHPGL-RDJZCZTQSA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CC=C)C2)nn1 ZINC000999999021 745160355 /nfs/dbraw/zinc/16/03/55/745160355.db2.gz WLPGDPMYYTXXPU-SJORKVTESA-N 2 2 342.447 0.425 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CC=C)C2)nn1 ZINC000999999021 745160358 /nfs/dbraw/zinc/16/03/58/745160358.db2.gz WLPGDPMYYTXXPU-SJORKVTESA-N 2 2 342.447 0.425 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC=C)C2)nn1 ZINC000999999021 745160364 /nfs/dbraw/zinc/16/03/64/745160364.db2.gz WLPGDPMYYTXXPU-SJORKVTESA-N 2 2 342.447 0.425 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC=C)C2)nn1 ZINC000999999021 745160369 /nfs/dbraw/zinc/16/03/69/745160369.db2.gz WLPGDPMYYTXXPU-SJORKVTESA-N 2 2 342.447 0.425 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1=O ZINC000977646743 745332377 /nfs/dbraw/zinc/33/23/77/745332377.db2.gz NFIQXNCMXJFIRG-LSDHHAIUSA-N 2 2 345.447 0.497 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1=O ZINC000977646743 745332383 /nfs/dbraw/zinc/33/23/83/745332383.db2.gz NFIQXNCMXJFIRG-LSDHHAIUSA-N 2 2 345.447 0.497 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC000983904023 745486175 /nfs/dbraw/zinc/48/61/75/745486175.db2.gz JUFDZKAJKLVRTA-ULQDDVLXSA-N 2 2 341.459 0.867 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nccc(C)n2)C1 ZINC000983904023 745486179 /nfs/dbraw/zinc/48/61/79/745486179.db2.gz JUFDZKAJKLVRTA-ULQDDVLXSA-N 2 2 341.459 0.867 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCn1cccn1 ZINC001029342178 745758295 /nfs/dbraw/zinc/75/82/95/745758295.db2.gz AETMHOVHBGNWNZ-KSZLIROESA-N 2 2 341.459 0.656 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCn1cccn1 ZINC001029342178 745758299 /nfs/dbraw/zinc/75/82/99/745758299.db2.gz AETMHOVHBGNWNZ-KSZLIROESA-N 2 2 341.459 0.656 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cccn1 ZINC001029342178 745758301 /nfs/dbraw/zinc/75/83/01/745758301.db2.gz AETMHOVHBGNWNZ-KSZLIROESA-N 2 2 341.459 0.656 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cccn1 ZINC001029342178 745758303 /nfs/dbraw/zinc/75/83/03/745758303.db2.gz AETMHOVHBGNWNZ-KSZLIROESA-N 2 2 341.459 0.656 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005652 752042182 /nfs/dbraw/zinc/04/21/82/752042182.db2.gz ZEDLHSLLEOECMG-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005652 752042185 /nfs/dbraw/zinc/04/21/85/752042185.db2.gz ZEDLHSLLEOECMG-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005652 752042189 /nfs/dbraw/zinc/04/21/89/752042189.db2.gz ZEDLHSLLEOECMG-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005652 752042192 /nfs/dbraw/zinc/04/21/92/752042192.db2.gz ZEDLHSLLEOECMG-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC000985168977 747499786 /nfs/dbraw/zinc/49/97/86/747499786.db2.gz DAORHDUNNIAOJH-RBSFLKMASA-N 2 2 331.420 0.154 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)Cc3c[nH+]c[nH]3)CC2)C1=O ZINC001006058530 750973316 /nfs/dbraw/zinc/97/33/16/750973316.db2.gz AVKPAMICGBQHNN-MRXNPFEDSA-N 2 2 345.447 0.662 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@H](CC)C(N)=O)C2 ZINC000981819061 751135510 /nfs/dbraw/zinc/13/55/10/751135510.db2.gz LNICTDWPCWKCNJ-CVEARBPZSA-N 2 2 346.475 0.272 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H](CC)C(N)=O)C2 ZINC000981819061 751135514 /nfs/dbraw/zinc/13/55/14/751135514.db2.gz LNICTDWPCWKCNJ-CVEARBPZSA-N 2 2 346.475 0.272 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@H](CC)C(N)=O)C2 ZINC000981819061 751135517 /nfs/dbraw/zinc/13/55/17/751135517.db2.gz LNICTDWPCWKCNJ-CVEARBPZSA-N 2 2 346.475 0.272 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@H](CC)C(N)=O)C2 ZINC000981819061 751135521 /nfs/dbraw/zinc/13/55/21/751135521.db2.gz LNICTDWPCWKCNJ-CVEARBPZSA-N 2 2 346.475 0.272 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098645420 752697641 /nfs/dbraw/zinc/69/76/41/752697641.db2.gz LWSXAFQHBOXXDZ-CVEARBPZSA-N 2 2 330.436 0.259 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001098645420 752697647 /nfs/dbraw/zinc/69/76/47/752697647.db2.gz LWSXAFQHBOXXDZ-CVEARBPZSA-N 2 2 330.436 0.259 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464765 752753704 /nfs/dbraw/zinc/75/37/04/752753704.db2.gz FEPHXWUWEMNITI-BBRMVZONSA-N 2 2 348.472 0.888 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464765 752753709 /nfs/dbraw/zinc/75/37/09/752753709.db2.gz FEPHXWUWEMNITI-BBRMVZONSA-N 2 2 348.472 0.888 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464765 752753715 /nfs/dbraw/zinc/75/37/15/752753715.db2.gz FEPHXWUWEMNITI-BBRMVZONSA-N 2 2 348.472 0.888 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464765 752753720 /nfs/dbraw/zinc/75/37/20/752753720.db2.gz FEPHXWUWEMNITI-BBRMVZONSA-N 2 2 348.472 0.888 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001028465472 752755409 /nfs/dbraw/zinc/75/54/09/752755409.db2.gz LATJIZRDVUWHAL-QAPCUYQASA-N 2 2 342.443 0.827 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001028465472 752755413 /nfs/dbraw/zinc/75/54/13/752755413.db2.gz LATJIZRDVUWHAL-QAPCUYQASA-N 2 2 342.443 0.827 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001028465472 752755418 /nfs/dbraw/zinc/75/54/18/752755418.db2.gz LATJIZRDVUWHAL-QAPCUYQASA-N 2 2 342.443 0.827 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001028465472 752755421 /nfs/dbraw/zinc/75/54/21/752755421.db2.gz LATJIZRDVUWHAL-QAPCUYQASA-N 2 2 342.443 0.827 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC(=O)NC3CC3)CC2)CC1 ZINC000989734790 754367244 /nfs/dbraw/zinc/36/72/44/754367244.db2.gz CYKANCJEVHSHEB-UHFFFAOYSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC(=O)NC3CC3)CC2)CC1 ZINC000989734790 754367251 /nfs/dbraw/zinc/36/72/51/754367251.db2.gz CYKANCJEVHSHEB-UHFFFAOYSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028712012 754793947 /nfs/dbraw/zinc/79/39/47/754793947.db2.gz JFJRKWLVVOYOII-QZTJIDSGSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028712012 754793950 /nfs/dbraw/zinc/79/39/50/754793950.db2.gz JFJRKWLVVOYOII-QZTJIDSGSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001028712012 754793954 /nfs/dbraw/zinc/79/39/54/754793954.db2.gz JFJRKWLVVOYOII-QZTJIDSGSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001028712012 754793958 /nfs/dbraw/zinc/79/39/58/754793958.db2.gz JFJRKWLVVOYOII-QZTJIDSGSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)CC1 ZINC001009630624 755092337 /nfs/dbraw/zinc/09/23/37/755092337.db2.gz XSIHJXLGMOVPBR-QGZVFWFLSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N3CCC3)C2)CC1 ZINC001009630624 755092343 /nfs/dbraw/zinc/09/23/43/755092343.db2.gz XSIHJXLGMOVPBR-QGZVFWFLSA-N 2 2 346.475 0.145 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)C1=O ZINC001088750466 755481395 /nfs/dbraw/zinc/48/13/95/755481395.db2.gz OHDJMGKHBRAJHK-PMPSAXMXSA-N 2 2 345.447 0.557 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)C1=O ZINC001088750466 755481402 /nfs/dbraw/zinc/48/14/02/755481402.db2.gz OHDJMGKHBRAJHK-PMPSAXMXSA-N 2 2 345.447 0.557 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3([NH+](C)C)CCC3)nn2)C1 ZINC001107179329 757295218 /nfs/dbraw/zinc/29/52/18/757295218.db2.gz JICQVLNSJXDKQQ-UHFFFAOYSA-N 2 2 332.452 0.811 20 30 ECEDLP C=CC[NH+]1CC(n2cc(CNC(=O)CC3CC[NH+](C)CC3)nn2)C1 ZINC001107217264 757820554 /nfs/dbraw/zinc/82/05/54/757820554.db2.gz DJPGILKHXBQKIG-UHFFFAOYSA-N 2 2 332.452 0.669 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001107229098 757990224 /nfs/dbraw/zinc/99/02/24/757990224.db2.gz CCHWRIIYAKKIAM-CQSZACIVSA-N 2 2 332.452 0.669 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107229098 757990230 /nfs/dbraw/zinc/99/02/30/757990230.db2.gz CCHWRIIYAKKIAM-CQSZACIVSA-N 2 2 332.452 0.669 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnon3)C(C)(C)C2)CC1 ZINC000996669707 758430608 /nfs/dbraw/zinc/43/06/08/758430608.db2.gz HMNBBBPCFZOBKS-INIZCTEOSA-N 2 2 345.447 0.741 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2C(C)C)C1 ZINC001022220775 758441933 /nfs/dbraw/zinc/44/19/33/758441933.db2.gz OQJUTPRWSCIACT-XHSDSOJGSA-N 2 2 344.463 0.693 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2C(C)C)C1 ZINC001022220775 758441937 /nfs/dbraw/zinc/44/19/37/758441937.db2.gz OQJUTPRWSCIACT-XHSDSOJGSA-N 2 2 344.463 0.693 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)[nH]2)C(C)(C)C1 ZINC000995921224 760779736 /nfs/dbraw/zinc/77/97/36/760779736.db2.gz HKATWUWVMMJUOZ-GJZGRUSLSA-N 2 2 344.463 0.537 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)[nH]2)C(C)(C)C1 ZINC000995921224 760779737 /nfs/dbraw/zinc/77/97/37/760779737.db2.gz HKATWUWVMMJUOZ-GJZGRUSLSA-N 2 2 344.463 0.537 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000995926508 760789386 /nfs/dbraw/zinc/78/93/86/760789386.db2.gz WAGOOJOIWIVONJ-HOTGVXAUSA-N 2 2 344.463 0.239 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000995926508 760789389 /nfs/dbraw/zinc/78/93/89/760789389.db2.gz WAGOOJOIWIVONJ-HOTGVXAUSA-N 2 2 344.463 0.239 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccn(C)n3)C2)CC1 ZINC001046850386 763230106 /nfs/dbraw/zinc/23/01/06/763230106.db2.gz UZMCOPZZZYKVFL-IBGZPJMESA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccn(C)n3)C2)CC1 ZINC001046850386 763230112 /nfs/dbraw/zinc/23/01/12/763230112.db2.gz UZMCOPZZZYKVFL-IBGZPJMESA-N 2 2 343.475 0.846 20 30 ECEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001014923956 763463471 /nfs/dbraw/zinc/46/34/71/763463471.db2.gz KVKLEHUXIFUJRA-NZSAHSFTSA-N 2 2 341.455 0.948 20 30 ECEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001014923956 763463474 /nfs/dbraw/zinc/46/34/74/763463474.db2.gz KVKLEHUXIFUJRA-NZSAHSFTSA-N 2 2 341.455 0.948 20 30 ECEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001014923956 763463476 /nfs/dbraw/zinc/46/34/76/763463476.db2.gz KVKLEHUXIFUJRA-NZSAHSFTSA-N 2 2 341.455 0.948 20 30 ECEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001014923956 763463478 /nfs/dbraw/zinc/46/34/78/763463478.db2.gz KVKLEHUXIFUJRA-NZSAHSFTSA-N 2 2 341.455 0.948 20 30 ECEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052028931 763625096 /nfs/dbraw/zinc/62/50/96/763625096.db2.gz VAMMDMPJKUNOPQ-OALUTQOASA-N 2 2 344.503 0.570 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001052040963 763663807 /nfs/dbraw/zinc/66/38/07/763663807.db2.gz NTAUHVVUEQBHLC-GOSISDBHSA-N 2 2 344.503 0.714 20 30 ECEDLP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001052052606 763717199 /nfs/dbraw/zinc/71/71/99/763717199.db2.gz QXOQXXNLFBLAKU-QGZVFWFLSA-N 2 2 331.464 0.986 20 30 ECEDLP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001047499156 764518677 /nfs/dbraw/zinc/51/86/77/764518677.db2.gz ABKFMZZLPPJWMO-HRCADAONSA-N 2 2 325.453 0.175 20 30 ECEDLP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001047499156 764518681 /nfs/dbraw/zinc/51/86/81/764518681.db2.gz ABKFMZZLPPJWMO-HRCADAONSA-N 2 2 325.453 0.175 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499156 764518689 /nfs/dbraw/zinc/51/86/89/764518689.db2.gz ABKFMZZLPPJWMO-HRCADAONSA-N 2 2 325.453 0.175 20 30 ECEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499156 764518696 /nfs/dbraw/zinc/51/86/96/764518696.db2.gz ABKFMZZLPPJWMO-HRCADAONSA-N 2 2 325.453 0.175 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047505822 764541958 /nfs/dbraw/zinc/54/19/58/764541958.db2.gz YCJDCYJCAJQQRJ-PVAVHDDUSA-N 2 2 330.432 0.281 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047505822 764541960 /nfs/dbraw/zinc/54/19/60/764541960.db2.gz YCJDCYJCAJQQRJ-PVAVHDDUSA-N 2 2 330.432 0.281 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001015901114 765515840 /nfs/dbraw/zinc/51/58/40/765515840.db2.gz ZAVYZJSMGNWZLA-IRXDYDNUSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001015901114 765515846 /nfs/dbraw/zinc/51/58/46/765515846.db2.gz ZAVYZJSMGNWZLA-IRXDYDNUSA-N 2 2 348.491 0.696 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)O2 ZINC001053618205 766444803 /nfs/dbraw/zinc/44/48/03/766444803.db2.gz RXXDVJKBHKUSPN-OWCLPIDISA-N 2 2 335.448 0.078 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)O2 ZINC001053618205 766444810 /nfs/dbraw/zinc/44/48/10/766444810.db2.gz RXXDVJKBHKUSPN-OWCLPIDISA-N 2 2 335.448 0.078 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106499128 768378729 /nfs/dbraw/zinc/37/87/29/768378729.db2.gz ZWNJTMNZFZMAFY-OWCLPIDISA-N 2 2 347.463 0.648 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704731 768693215 /nfs/dbraw/zinc/69/32/15/768693215.db2.gz AIFZUOHGYPUZJW-MGPQQGTHSA-N 2 2 333.436 0.327 20 30 ECEDLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055631031 769301295 /nfs/dbraw/zinc/30/12/95/769301295.db2.gz CGQRBJFHZQDFHV-ZDUSSCGKSA-N 2 2 346.435 0.048 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1 ZINC001018665336 769737912 /nfs/dbraw/zinc/73/79/12/769737912.db2.gz QFKMHXQNJCHGQR-DOTOQJQBSA-N 2 2 346.406 0.718 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1 ZINC001018665336 769737918 /nfs/dbraw/zinc/73/79/18/769737918.db2.gz QFKMHXQNJCHGQR-DOTOQJQBSA-N 2 2 346.406 0.718 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(CC)o2)C1 ZINC001018986348 770486531 /nfs/dbraw/zinc/48/65/31/770486531.db2.gz ZJUFQDJCSVGUPZ-KKUMJFAQSA-N 2 2 345.447 0.981 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(CC)o2)C1 ZINC001018986348 770486535 /nfs/dbraw/zinc/48/65/35/770486535.db2.gz ZJUFQDJCSVGUPZ-KKUMJFAQSA-N 2 2 345.447 0.981 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](Cc3ccn(C)c(=O)c3)C2)CC1 ZINC001031436061 771071257 /nfs/dbraw/zinc/07/12/57/771071257.db2.gz QVBJBOYBLROOAZ-UHFFFAOYSA-N 2 2 342.443 0.031 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nccc(C)n3)C2)CC1 ZINC001019813334 771827922 /nfs/dbraw/zinc/82/79/22/771827922.db2.gz AYNVDICUAKQBPS-KRWDZBQOSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001020250951 772351839 /nfs/dbraw/zinc/35/18/39/772351839.db2.gz XXFVAWMHELOFAW-KKUMJFAQSA-N 2 2 348.426 0.082 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001020250951 772351842 /nfs/dbraw/zinc/35/18/42/772351842.db2.gz XXFVAWMHELOFAW-KKUMJFAQSA-N 2 2 348.426 0.082 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1F ZINC001079289063 780963933 /nfs/dbraw/zinc/96/39/33/780963933.db2.gz NTQREZBCYDCXRJ-CGTJXYLNSA-N 2 2 345.418 0.674 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1F ZINC001079289063 780963937 /nfs/dbraw/zinc/96/39/37/780963937.db2.gz NTQREZBCYDCXRJ-CGTJXYLNSA-N 2 2 345.418 0.674 20 30 ECEDLP C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442246 784084447 /nfs/dbraw/zinc/08/44/47/784084447.db2.gz FTGNDGVHERXGSG-GJZGRUSLSA-N 2 2 344.463 0.621 20 30 ECEDLP C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442246 784084451 /nfs/dbraw/zinc/08/44/51/784084451.db2.gz FTGNDGVHERXGSG-GJZGRUSLSA-N 2 2 344.463 0.621 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001070977809 784296452 /nfs/dbraw/zinc/29/64/52/784296452.db2.gz KEWBECZJMIRPIG-UHFFFAOYSA-N 2 2 348.491 0.841 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001070977809 784296459 /nfs/dbraw/zinc/29/64/59/784296459.db2.gz KEWBECZJMIRPIG-UHFFFAOYSA-N 2 2 348.491 0.841 20 30 ECEDLP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071195147 784712499 /nfs/dbraw/zinc/71/24/99/784712499.db2.gz SIZBPUNBGJQWMH-SJLPKXTDSA-N 2 2 330.432 0.988 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071195147 784712500 /nfs/dbraw/zinc/71/25/00/784712500.db2.gz SIZBPUNBGJQWMH-SJLPKXTDSA-N 2 2 330.432 0.988 20 30 ECEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001073835207 787312119 /nfs/dbraw/zinc/31/21/19/787312119.db2.gz WVNIJCHAIFZHRE-KRWDZBQOSA-N 2 2 339.399 0.721 20 30 ECEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001073835207 787312127 /nfs/dbraw/zinc/31/21/27/787312127.db2.gz WVNIJCHAIFZHRE-KRWDZBQOSA-N 2 2 339.399 0.721 20 30 ECEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001073835208 787312834 /nfs/dbraw/zinc/31/28/34/787312834.db2.gz WVNIJCHAIFZHRE-QGZVFWFLSA-N 2 2 339.399 0.721 20 30 ECEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001073835208 787312841 /nfs/dbraw/zinc/31/28/41/787312841.db2.gz WVNIJCHAIFZHRE-QGZVFWFLSA-N 2 2 339.399 0.721 20 30 ECEDLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001074581548 787318485 /nfs/dbraw/zinc/31/84/85/787318485.db2.gz CXAHSADLUDPPBU-WBAXXEDZSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001074581548 787318495 /nfs/dbraw/zinc/31/84/95/787318495.db2.gz CXAHSADLUDPPBU-WBAXXEDZSA-N 2 2 342.443 0.968 20 30 ECEDLP C#CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001075415006 789343512 /nfs/dbraw/zinc/34/35/12/789343512.db2.gz CKTSKHWSINDWNN-MAUKXSAKSA-N 2 2 330.432 0.961 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC=C)C[C@@H]1n1ccnn1 ZINC001069949215 790228890 /nfs/dbraw/zinc/22/88/90/790228890.db2.gz JZGMAXDOPHQYNE-IKGGRYGDSA-N 2 2 342.447 0.293 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC=C)C[C@@H]1n1ccnn1 ZINC001069949215 790228893 /nfs/dbraw/zinc/22/88/93/790228893.db2.gz JZGMAXDOPHQYNE-IKGGRYGDSA-N 2 2 342.447 0.293 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC=C)C[C@@H]1n1ccnn1 ZINC001069949215 790228898 /nfs/dbraw/zinc/22/88/98/790228898.db2.gz JZGMAXDOPHQYNE-IKGGRYGDSA-N 2 2 342.447 0.293 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC=C)C[C@@H]1n1ccnn1 ZINC001069949215 790228901 /nfs/dbraw/zinc/22/89/01/790228901.db2.gz JZGMAXDOPHQYNE-IKGGRYGDSA-N 2 2 342.447 0.293 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267544136 837731830 /nfs/dbraw/zinc/73/18/30/837731830.db2.gz JEBQDGJTRAWSQF-SJORKVTESA-N 2 2 344.459 0.924 20 30 ECEDLP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267544136 837731842 /nfs/dbraw/zinc/73/18/42/837731842.db2.gz JEBQDGJTRAWSQF-SJORKVTESA-N 2 2 344.459 0.924 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266399311 835806694 /nfs/dbraw/zinc/80/66/94/835806694.db2.gz QXROZUOEBMZLDG-CYBMUJFWSA-N 2 2 341.415 0.753 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266399311 835806704 /nfs/dbraw/zinc/80/67/04/835806704.db2.gz QXROZUOEBMZLDG-CYBMUJFWSA-N 2 2 341.415 0.753 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CCc2[nH+]ccn2C)C1=O ZINC001266785316 836300169 /nfs/dbraw/zinc/30/01/69/836300169.db2.gz MOBUJDUTQAOGAR-CQSZACIVSA-N 2 2 333.436 0.188 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C(C)(C)C ZINC001266949650 836515077 /nfs/dbraw/zinc/51/50/77/836515077.db2.gz JIXCERRDIJAIJM-CABCVRRESA-N 2 2 346.479 0.725 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ncnn1C(C)(C)C ZINC001266949650 836515084 /nfs/dbraw/zinc/51/50/84/836515084.db2.gz JIXCERRDIJAIJM-CABCVRRESA-N 2 2 346.479 0.725 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H]1CCN(C(C)C)C1=O ZINC001267200394 836974565 /nfs/dbraw/zinc/97/45/65/836974565.db2.gz JSBAQYGVIODNTI-HOTGVXAUSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H]1CCN(C(C)C)C1=O ZINC001267200394 836974573 /nfs/dbraw/zinc/97/45/73/836974573.db2.gz JSBAQYGVIODNTI-HOTGVXAUSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H]1CCN(C(C)C)C1=O ZINC001267200394 836974579 /nfs/dbraw/zinc/97/45/79/836974579.db2.gz JSBAQYGVIODNTI-HOTGVXAUSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H]1CCN(C(C)C)C1=O ZINC001267200394 836974585 /nfs/dbraw/zinc/97/45/85/836974585.db2.gz JSBAQYGVIODNTI-HOTGVXAUSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267221289 837013967 /nfs/dbraw/zinc/01/39/67/837013967.db2.gz BAOCXMHPRZZTRH-UHFFFAOYSA-N 2 2 330.432 0.159 20 30 ECEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267221289 837013979 /nfs/dbraw/zinc/01/39/79/837013979.db2.gz BAOCXMHPRZZTRH-UHFFFAOYSA-N 2 2 330.432 0.159 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267232421 837037467 /nfs/dbraw/zinc/03/74/67/837037467.db2.gz HUNGNSCWFVGGFM-DOTOQJQBSA-N 2 2 344.459 0.475 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267232421 837037480 /nfs/dbraw/zinc/03/74/80/837037480.db2.gz HUNGNSCWFVGGFM-DOTOQJQBSA-N 2 2 344.459 0.475 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267767222 838502912 /nfs/dbraw/zinc/50/29/12/838502912.db2.gz NGDBJLOYMKMENS-JKSUJKDBSA-N 2 2 330.432 0.628 20 30 ECEDLP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267767222 838502922 /nfs/dbraw/zinc/50/29/22/838502922.db2.gz NGDBJLOYMKMENS-JKSUJKDBSA-N 2 2 330.432 0.628 20 30 ECEDLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CC(=O)NCC#N ZINC001267991733 838938094 /nfs/dbraw/zinc/93/80/94/838938094.db2.gz QQKNKMPYGCCKLC-LLVKDONJSA-N 2 2 328.376 0.158 20 30 ECEDLP Cc1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1C#N ZINC000443999181 211046734 /nfs/dbraw/zinc/04/67/34/211046734.db2.gz XWWKTJCLWRGXOF-SFHVURJKSA-N 2 2 342.443 0.889 20 30 ECEDLP Cc1nc(CC[NH+](C)CC#CC[N@H+](C)CCc2noc(C)n2)no1 ZINC000284058339 437033865 /nfs/dbraw/zinc/03/38/65/437033865.db2.gz JXKVMIFMGHWNGL-UHFFFAOYSA-N 2 2 332.408 0.722 20 30 ECEDLP Cc1nc(CC[NH+](C)CC#CC[N@@H+](C)CCc2noc(C)n2)no1 ZINC000284058339 437033869 /nfs/dbraw/zinc/03/38/69/437033869.db2.gz JXKVMIFMGHWNGL-UHFFFAOYSA-N 2 2 332.408 0.722 20 30 ECEDLP CCOCCCNC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000303895079 437156854 /nfs/dbraw/zinc/15/68/54/437156854.db2.gz SWIYQODXSLHFPN-OAHLLOKOSA-N 2 2 330.498 0.525 20 30 ECEDLP C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCCN2C)[C@H](C)[NH+]1CCOCC1 ZINC000329993870 437443119 /nfs/dbraw/zinc/44/31/19/437443119.db2.gz YUWVJMXUUSCXHV-XQLPTFJDSA-N 2 2 326.441 0.024 20 30 ECEDLP C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[C@H](C)[NH+]1CCOCC1 ZINC000329993870 437443122 /nfs/dbraw/zinc/44/31/22/437443122.db2.gz YUWVJMXUUSCXHV-XQLPTFJDSA-N 2 2 326.441 0.024 20 30 ECEDLP C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[C@H](C)[NH+]1CCOCC1 ZINC000329993870 437443126 /nfs/dbraw/zinc/44/31/26/437443126.db2.gz YUWVJMXUUSCXHV-XQLPTFJDSA-N 2 2 326.441 0.024 20 30 ECEDLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c[nH+]2)CCO1 ZINC000424141937 437894688 /nfs/dbraw/zinc/89/46/88/437894688.db2.gz XXHWQHGESSCURD-HIFRSBDPSA-N 2 2 331.420 0.944 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000426369755 438055126 /nfs/dbraw/zinc/05/51/26/438055126.db2.gz ITZHMHKNKXXUTG-UHFFFAOYSA-N 2 2 337.468 0.228 20 30 ECEDLP C[C@@H]1C[NH+](CCOC2CC[NH+](CC(=O)NCC#N)CC2)C[C@@H](C)O1 ZINC000358872040 438321403 /nfs/dbraw/zinc/32/14/03/438321403.db2.gz LPMZIMNLBJCDBC-HUUCEWRRSA-N 2 2 338.452 0.216 20 30 ECEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352484071 438428552 /nfs/dbraw/zinc/42/85/52/438428552.db2.gz LDJHXKRGROAMMX-OAHLLOKOSA-N 2 2 340.443 0.787 20 30 ECEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352484071 438428556 /nfs/dbraw/zinc/42/85/56/438428556.db2.gz LDJHXKRGROAMMX-OAHLLOKOSA-N 2 2 340.443 0.787 20 30 ECEDLP N#CC[C@@]1(O)CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000592152081 439166451 /nfs/dbraw/zinc/16/64/51/439166451.db2.gz TYZBWDMSBTWFHL-GOSISDBHSA-N 2 2 343.431 0.471 20 30 ECEDLP N#CC[C@@]1(O)CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000592152081 439166457 /nfs/dbraw/zinc/16/64/57/439166457.db2.gz TYZBWDMSBTWFHL-GOSISDBHSA-N 2 2 343.431 0.471 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000490916688 439312223 /nfs/dbraw/zinc/31/22/23/439312223.db2.gz UMTOIDLZFIFOAC-QGZVFWFLSA-N 2 2 331.464 0.874 20 30 ECEDLP C#C[C@@H]1COCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000491295979 439362537 /nfs/dbraw/zinc/36/25/37/439362537.db2.gz KGMKAHSZVBYYQE-MRXNPFEDSA-N 2 2 334.464 0.589 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000491326095 439367089 /nfs/dbraw/zinc/36/70/89/439367089.db2.gz JVXWETZMEPZKNV-NXHRZFHOSA-N 2 2 331.460 0.701 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CCNC(C)=O)C2)CC1 ZINC000491777336 439448324 /nfs/dbraw/zinc/44/83/24/439448324.db2.gz WVYZCXMZZZJLRG-QGZVFWFLSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)CC1 ZINC000491777336 439448327 /nfs/dbraw/zinc/44/83/27/439448327.db2.gz WVYZCXMZZZJLRG-QGZVFWFLSA-N 2 2 334.464 0.002 20 30 ECEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NC2CCN(CC#N)CC2)CC1 ZINC000610509830 439622062 /nfs/dbraw/zinc/62/20/62/439622062.db2.gz RPLIOYKQEMTMET-UHFFFAOYSA-N 2 2 336.484 0.300 20 30 ECEDLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600887101 439713411 /nfs/dbraw/zinc/71/34/11/439713411.db2.gz PDUMXEPJNYZGON-QGZVFWFLSA-N 2 2 340.427 0.800 20 30 ECEDLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600887101 439713414 /nfs/dbraw/zinc/71/34/14/439713414.db2.gz PDUMXEPJNYZGON-QGZVFWFLSA-N 2 2 340.427 0.800 20 30 ECEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000330005451 546037294 /nfs/dbraw/zinc/03/72/94/546037294.db2.gz DGMATVMXGMQLDT-AWEZNQCLSA-N 2 2 345.451 0.773 20 30 ECEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000330005451 546037299 /nfs/dbraw/zinc/03/72/99/546037299.db2.gz DGMATVMXGMQLDT-AWEZNQCLSA-N 2 2 345.451 0.773 20 30 ECEDLP C=CC[NH+]1CCC([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000735425683 578383919 /nfs/dbraw/zinc/38/39/19/578383919.db2.gz DKYCUNVPENCGIU-LBPRGKRZSA-N 2 2 343.439 0.345 20 30 ECEDLP C#CC[NH+]1CCC(Nc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000895807980 586206197 /nfs/dbraw/zinc/20/61/97/586206197.db2.gz FTZLNOQNEMQRAG-UHFFFAOYSA-N 2 2 328.420 0.265 20 30 ECEDLP C#CC[NH+]1CCC(Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000895807980 586206199 /nfs/dbraw/zinc/20/61/99/586206199.db2.gz FTZLNOQNEMQRAG-UHFFFAOYSA-N 2 2 328.420 0.265 20 30 ECEDLP N#Cc1csc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)n1 ZINC000897628906 586352959 /nfs/dbraw/zinc/35/29/59/586352959.db2.gz OZMCQKSEIQGXTP-UHFFFAOYSA-N 2 2 335.477 0.901 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000905447696 586892320 /nfs/dbraw/zinc/89/23/20/586892320.db2.gz SWOMMCRTYVPVTO-IAGOWNOFSA-N 2 2 336.480 0.427 20 30 ECEDLP C=CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C(=O)OC ZINC000905770516 586914204 /nfs/dbraw/zinc/91/42/04/586914204.db2.gz CKJBTBSEMMOROO-HNNXBMFYSA-N 2 2 325.453 0.490 20 30 ECEDLP C#CCN1C(=O)C[C@H]([NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000821771851 587629968 /nfs/dbraw/zinc/62/99/68/587629968.db2.gz PBHSQXJEBGMFPD-KRWDZBQOSA-N 2 2 346.475 0.238 20 30 ECEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C#N)(C(=O)OC)CC2)CC1 ZINC000831686977 588441719 /nfs/dbraw/zinc/44/17/19/588441719.db2.gz FNZNMOFJTJAFTO-AWEZNQCLSA-N 2 2 336.436 0.318 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)CC1 ZINC000847079198 589235273 /nfs/dbraw/zinc/23/52/73/589235273.db2.gz WFXVVEPIJXNOSJ-MRXNPFEDSA-N 2 2 337.464 0.720 20 30 ECEDLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000863750100 590033624 /nfs/dbraw/zinc/03/36/24/590033624.db2.gz BBOWMGLHWUAGPG-AWEZNQCLSA-N 2 2 343.431 0.008 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865506800 590147944 /nfs/dbraw/zinc/14/79/44/590147944.db2.gz UQSQSSXRGQNBEQ-UHFFFAOYSA-N 2 2 326.322 0.972 20 30 ECEDLP C[NH+]1CCN(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)CC1 ZINC000879590871 590326928 /nfs/dbraw/zinc/32/69/28/590326928.db2.gz GGAPTURYDYSMAF-SFHVURJKSA-N 2 2 333.480 0.507 20 30 ECEDLP C#CC[C@@H](COC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875925369 590347245 /nfs/dbraw/zinc/34/72/45/590347245.db2.gz QFUDUYOOKYHECV-RDJZCZTQSA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[C@@H](COC)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875925369 590347247 /nfs/dbraw/zinc/34/72/47/590347247.db2.gz QFUDUYOOKYHECV-RDJZCZTQSA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C(=O)OC)C(C)C)CC1 ZINC000880162958 590373855 /nfs/dbraw/zinc/37/38/55/590373855.db2.gz HRIIHBUMEGTEOO-INIZCTEOSA-N 2 2 337.464 0.625 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C(=O)OC)C2)CC1 ZINC000880327795 590383921 /nfs/dbraw/zinc/38/39/21/590383921.db2.gz QDKNOEGBBSLMIE-YJBOKZPZSA-N 2 2 333.432 0.039 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C(=O)OC)C2)CC1 ZINC000880327795 590383924 /nfs/dbraw/zinc/38/39/24/590383924.db2.gz QDKNOEGBBSLMIE-YJBOKZPZSA-N 2 2 333.432 0.039 20 30 ECEDLP C[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cnccc3C#N)CC2)CC1 ZINC000878641974 590532540 /nfs/dbraw/zinc/53/25/40/590532540.db2.gz JKXRVMRKZKIEJB-UHFFFAOYSA-N 2 2 342.447 0.286 20 30 ECEDLP C#CCC1(O)CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000883560872 590625954 /nfs/dbraw/zinc/62/59/54/590625954.db2.gz RFUSZWKOWIDNOI-UHFFFAOYSA-N 2 2 336.480 0.572 20 30 ECEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](Cc3ccccn3)CC1)C2 ZINC000884233662 590785097 /nfs/dbraw/zinc/78/50/97/590785097.db2.gz UPHWQMDYMHFDQA-WUJZJPHMSA-N 2 2 339.443 0.865 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389572 590818547 /nfs/dbraw/zinc/81/85/47/590818547.db2.gz BKLKUFTVPCJQGF-MQYQWHSLSA-N 2 2 327.425 0.047 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389572 590818550 /nfs/dbraw/zinc/81/85/50/590818550.db2.gz BKLKUFTVPCJQGF-MQYQWHSLSA-N 2 2 327.425 0.047 20 30 ECEDLP C#Cc1ccc(NC(=O)CC[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000930850219 611474192 /nfs/dbraw/zinc/47/41/92/611474192.db2.gz RCHUCVMTIYJORJ-UHFFFAOYSA-N 2 2 342.443 0.702 20 30 ECEDLP C#Cc1ccc(NC(=O)CC[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000930850219 611474193 /nfs/dbraw/zinc/47/41/93/611474193.db2.gz RCHUCVMTIYJORJ-UHFFFAOYSA-N 2 2 342.443 0.702 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000918906296 610023196 /nfs/dbraw/zinc/02/31/96/610023196.db2.gz MJWSMPSONSOBKU-KRWDZBQOSA-N 3 2 347.507 0.552 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000941455141 610327311 /nfs/dbraw/zinc/32/73/11/610327311.db2.gz LMWPZESIKYVQTH-UHFFFAOYSA-N 2 2 344.503 0.714 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C)no1 ZINC001024987768 738462439 /nfs/dbraw/zinc/46/24/39/738462439.db2.gz TUVZAJCZXYFXPZ-CVEARBPZSA-N 2 2 345.447 0.946 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nc(C)no1 ZINC001024987768 738462441 /nfs/dbraw/zinc/46/24/41/738462441.db2.gz TUVZAJCZXYFXPZ-CVEARBPZSA-N 2 2 345.447 0.946 20 30 ECEDLP COCC#CC[N@H+](CCO)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001098548578 734336070 /nfs/dbraw/zinc/33/60/70/734336070.db2.gz VYKDOOFQUSPTCZ-UHFFFAOYSA-N 2 2 348.447 0.196 20 30 ECEDLP COCC#CC[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001098548578 734336071 /nfs/dbraw/zinc/33/60/71/734336071.db2.gz VYKDOOFQUSPTCZ-UHFFFAOYSA-N 2 2 348.447 0.196 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2O)CC1 ZINC001078227044 782523426 /nfs/dbraw/zinc/52/34/26/782523426.db2.gz GRBQJPMVIXFCEX-VNGFFZMTSA-N 2 2 325.840 0.245 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2O)CC1 ZINC001078227044 782523437 /nfs/dbraw/zinc/52/34/37/782523437.db2.gz GRBQJPMVIXFCEX-VNGFFZMTSA-N 2 2 325.840 0.245 20 30 ECEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475517 736292514 /nfs/dbraw/zinc/29/25/14/736292514.db2.gz NXHPEKRPWBGDMN-JZRYZNKLSA-N 2 2 347.459 0.339 20 30 ECEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475517 736292516 /nfs/dbraw/zinc/29/25/16/736292516.db2.gz NXHPEKRPWBGDMN-JZRYZNKLSA-N 2 2 347.459 0.339 20 30 ECEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475517 736292520 /nfs/dbraw/zinc/29/25/20/736292520.db2.gz NXHPEKRPWBGDMN-JZRYZNKLSA-N 2 2 347.459 0.339 20 30 ECEDLP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972517012 736527384 /nfs/dbraw/zinc/52/73/84/736527384.db2.gz CDGUEAYBXADWJK-MJGOQNOKSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972517012 736527386 /nfs/dbraw/zinc/52/73/86/736527386.db2.gz CDGUEAYBXADWJK-MJGOQNOKSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682069 737369863 /nfs/dbraw/zinc/36/98/63/737369863.db2.gz CHROSGKDMRMGEL-FUHWJXTLSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682069 737369866 /nfs/dbraw/zinc/36/98/66/737369866.db2.gz CHROSGKDMRMGEL-FUHWJXTLSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682069 737369868 /nfs/dbraw/zinc/36/98/68/737369868.db2.gz CHROSGKDMRMGEL-FUHWJXTLSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682069 737369871 /nfs/dbraw/zinc/36/98/71/737369871.db2.gz CHROSGKDMRMGEL-FUHWJXTLSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC001024022011 737626724 /nfs/dbraw/zinc/62/67/24/737626724.db2.gz OLLPAKWZQRHJIY-CVEARBPZSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC001024022011 737626727 /nfs/dbraw/zinc/62/67/27/737626727.db2.gz OLLPAKWZQRHJIY-CVEARBPZSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)nn1 ZINC001105253956 741563618 /nfs/dbraw/zinc/56/36/18/741563618.db2.gz LNYSTFULFJQCNI-HNNXBMFYSA-N 2 2 336.415 0.064 20 30 ECEDLP C#CCN1CC[NH+](C2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000996789416 742868760 /nfs/dbraw/zinc/86/87/60/742868760.db2.gz NBRZRXZWBWVMNE-UHFFFAOYSA-N 2 2 329.448 0.630 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997832770 743842996 /nfs/dbraw/zinc/84/29/96/743842996.db2.gz TXQHVNZQOPNCEK-KRWDZBQOSA-N 2 2 341.459 0.902 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997832770 743843001 /nfs/dbraw/zinc/84/30/01/743843001.db2.gz TXQHVNZQOPNCEK-KRWDZBQOSA-N 2 2 341.459 0.902 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC(=O)NC)C[C@]2(C)C1 ZINC000982298328 751907596 /nfs/dbraw/zinc/90/75/96/751907596.db2.gz AESUAQBOAKQJIK-ZYSHUDEJSA-N 2 2 346.475 0.000 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC(=O)NC)C[C@]2(C)C1 ZINC000982298328 751907602 /nfs/dbraw/zinc/90/76/02/751907602.db2.gz AESUAQBOAKQJIK-ZYSHUDEJSA-N 2 2 346.475 0.000 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC(=O)NC)C[C@]2(C)C1 ZINC000982298328 751907608 /nfs/dbraw/zinc/90/76/08/751907608.db2.gz AESUAQBOAKQJIK-ZYSHUDEJSA-N 2 2 346.475 0.000 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC(=O)NC)C[C@]2(C)C1 ZINC000982298328 751907614 /nfs/dbraw/zinc/90/76/14/751907614.db2.gz AESUAQBOAKQJIK-ZYSHUDEJSA-N 2 2 346.475 0.000 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nncs2)C1 ZINC000998927590 744410193 /nfs/dbraw/zinc/41/01/93/744410193.db2.gz GJKMGHUDSLVMHG-RUXDESIVSA-N 2 2 333.461 0.715 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nncs2)C1 ZINC000998927590 744410194 /nfs/dbraw/zinc/41/01/94/744410194.db2.gz GJKMGHUDSLVMHG-RUXDESIVSA-N 2 2 333.461 0.715 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)C1=O ZINC000977596764 745234738 /nfs/dbraw/zinc/23/47/38/745234738.db2.gz VMKBERIBLLCYCD-HOTGVXAUSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)C1=O ZINC000977596764 745234742 /nfs/dbraw/zinc/23/47/42/745234742.db2.gz VMKBERIBLLCYCD-HOTGVXAUSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001000984576 745951874 /nfs/dbraw/zinc/95/18/74/745951874.db2.gz HSPRPRIDNZBIBU-MSOLQXFVSA-N 2 2 349.475 0.801 20 30 ECEDLP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001000984576 745951877 /nfs/dbraw/zinc/95/18/77/745951877.db2.gz HSPRPRIDNZBIBU-MSOLQXFVSA-N 2 2 349.475 0.801 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001098728934 748742654 /nfs/dbraw/zinc/74/26/54/748742654.db2.gz WTEBBYMLHXBTFY-GOEBONIOSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001098728934 748742658 /nfs/dbraw/zinc/74/26/58/748742658.db2.gz WTEBBYMLHXBTFY-GOEBONIOSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cnon3)C2)CC1 ZINC001029909903 749562440 /nfs/dbraw/zinc/56/24/40/749562440.db2.gz RPEBRMFXQXCOFD-OAHLLOKOSA-N 2 2 345.447 0.695 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)Cc3cnon3)C2)CC1 ZINC001029909903 749562441 /nfs/dbraw/zinc/56/24/41/749562441.db2.gz RPEBRMFXQXCOFD-OAHLLOKOSA-N 2 2 345.447 0.695 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001029914104 749586546 /nfs/dbraw/zinc/58/65/46/749586546.db2.gz QWPALEQHKCSBNJ-HOTGVXAUSA-N 2 2 345.447 0.450 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000981459239 750716351 /nfs/dbraw/zinc/71/63/51/750716351.db2.gz PQCWYMMICDDBHX-DLBZAZTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000981459239 750716354 /nfs/dbraw/zinc/71/63/54/750716354.db2.gz PQCWYMMICDDBHX-DLBZAZTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1=O ZINC000981459239 750716356 /nfs/dbraw/zinc/71/63/56/750716356.db2.gz PQCWYMMICDDBHX-DLBZAZTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1=O ZINC000981459239 750716360 /nfs/dbraw/zinc/71/63/60/750716360.db2.gz PQCWYMMICDDBHX-DLBZAZTESA-N 2 2 348.491 0.792 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)nn1 ZINC001105363046 752324761 /nfs/dbraw/zinc/32/47/61/752324761.db2.gz PBHNYHVQFJBSLE-HOCLYGCPSA-N 2 2 344.463 0.505 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001028465964 752743016 /nfs/dbraw/zinc/74/30/16/752743016.db2.gz NWHHIVKRPZGEGN-MOPGFXCFSA-N 2 2 341.455 0.807 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001028465964 752743019 /nfs/dbraw/zinc/74/30/19/752743019.db2.gz NWHHIVKRPZGEGN-MOPGFXCFSA-N 2 2 341.455 0.807 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001028465964 752743023 /nfs/dbraw/zinc/74/30/23/752743023.db2.gz NWHHIVKRPZGEGN-MOPGFXCFSA-N 2 2 341.455 0.807 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001028465964 752743028 /nfs/dbraw/zinc/74/30/28/752743028.db2.gz NWHHIVKRPZGEGN-MOPGFXCFSA-N 2 2 341.455 0.807 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001021926473 758070130 /nfs/dbraw/zinc/07/01/30/758070130.db2.gz PKMSFTVBFFMWGP-TUAOUCFPSA-N 2 2 332.242 0.462 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001021926473 758070144 /nfs/dbraw/zinc/07/01/44/758070144.db2.gz PKMSFTVBFFMWGP-TUAOUCFPSA-N 2 2 332.242 0.462 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cc(C)no2)C1 ZINC001051660129 762617595 /nfs/dbraw/zinc/61/75/95/762617595.db2.gz MBHHQBRBLXMBPI-SJORKVTESA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cc(C)no2)C1 ZINC001051660129 762617598 /nfs/dbraw/zinc/61/75/98/762617598.db2.gz MBHHQBRBLXMBPI-SJORKVTESA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnc(C)o2)C1 ZINC001051660256 762617883 /nfs/dbraw/zinc/61/78/83/762617883.db2.gz PTWMKPQWJKIQQV-IRXDYDNUSA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cnc(C)o2)C1 ZINC001051660256 762617888 /nfs/dbraw/zinc/61/78/88/762617888.db2.gz PTWMKPQWJKIQQV-IRXDYDNUSA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2C[C@@H](C)OC)CC1 ZINC001051256081 761776577 /nfs/dbraw/zinc/77/65/77/761776577.db2.gz UOZLRSVTEDHMTL-NVXWUHKLSA-N 2 2 337.464 0.184 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@@H](C)OC)CC1 ZINC001051256081 761776581 /nfs/dbraw/zinc/77/65/81/761776581.db2.gz UOZLRSVTEDHMTL-NVXWUHKLSA-N 2 2 337.464 0.184 20 30 ECEDLP CC1(C)CC[N@H+](CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052084670 763809911 /nfs/dbraw/zinc/80/99/11/763809911.db2.gz WKKOGTUHSSIFRE-INIZCTEOSA-N 2 2 333.480 0.460 20 30 ECEDLP CC1(C)CC[N@@H+](CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052084670 763809916 /nfs/dbraw/zinc/80/99/16/763809916.db2.gz WKKOGTUHSSIFRE-INIZCTEOSA-N 2 2 333.480 0.460 20 30 ECEDLP CC1CC[NH+](CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052100289 763860950 /nfs/dbraw/zinc/86/09/50/763860950.db2.gz CGWKRSNXSZKTKO-KRWDZBQOSA-N 2 2 333.480 0.460 20 30 ECEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001047398605 764216975 /nfs/dbraw/zinc/21/69/75/764216975.db2.gz XFTULLVXALBYAZ-GJZGRUSLSA-N 2 2 335.473 0.950 20 30 ECEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001047398605 764216981 /nfs/dbraw/zinc/21/69/81/764216981.db2.gz XFTULLVXALBYAZ-GJZGRUSLSA-N 2 2 335.473 0.950 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001047435312 764336795 /nfs/dbraw/zinc/33/67/95/764336795.db2.gz IVVIZHDIXSZKPY-PMPSAXMXSA-N 2 2 332.448 0.915 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001047435312 764336802 /nfs/dbraw/zinc/33/68/02/764336802.db2.gz IVVIZHDIXSZKPY-PMPSAXMXSA-N 2 2 332.448 0.915 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CC3CC3)C2)O1 ZINC001053610688 766430711 /nfs/dbraw/zinc/43/07/11/766430711.db2.gz XRZPHDYNWHVBPM-IRXDYDNUSA-N 2 2 331.460 0.844 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CC3CC3)C2)O1 ZINC001053610688 766430715 /nfs/dbraw/zinc/43/07/15/766430715.db2.gz XRZPHDYNWHVBPM-IRXDYDNUSA-N 2 2 331.460 0.844 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)O2 ZINC001053649740 766512047 /nfs/dbraw/zinc/51/20/47/766512047.db2.gz VLEPWEWDOILNHD-CVEARBPZSA-N 2 2 337.464 0.631 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649740 766512052 /nfs/dbraw/zinc/51/20/52/766512052.db2.gz VLEPWEWDOILNHD-CVEARBPZSA-N 2 2 337.464 0.631 20 30 ECEDLP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC001098779180 766622673 /nfs/dbraw/zinc/62/26/73/766622673.db2.gz GASRYDUFBJVOGU-MRXNPFEDSA-N 2 2 341.419 0.370 20 30 ECEDLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046040670 766748134 /nfs/dbraw/zinc/74/81/34/766748134.db2.gz HFOUEZJUCLCRIO-MSOLQXFVSA-N 2 2 347.507 0.849 20 30 ECEDLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046040670 766748136 /nfs/dbraw/zinc/74/81/36/766748136.db2.gz HFOUEZJUCLCRIO-MSOLQXFVSA-N 2 2 347.507 0.849 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046048140 766780677 /nfs/dbraw/zinc/78/06/77/766780677.db2.gz QTLQYDHEFZVMIT-QGZVFWFLSA-N 2 2 343.475 0.595 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046048140 766780679 /nfs/dbraw/zinc/78/06/79/766780679.db2.gz QTLQYDHEFZVMIT-QGZVFWFLSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH+](CCCF)C3)C2)CC1 ZINC001054016557 767607350 /nfs/dbraw/zinc/60/73/50/767607350.db2.gz FYAGWLQEEFSVTG-MRXNPFEDSA-N 2 2 337.439 0.651 20 30 ECEDLP C=CCCC(=O)NC1CC[NH+](CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001055602118 769234759 /nfs/dbraw/zinc/23/47/59/769234759.db2.gz QBVCNNKPCIAGOF-UHFFFAOYSA-N 2 2 347.463 0.626 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](Cc3ccc(CO)cc3)C2)CC1 ZINC001031436429 771066821 /nfs/dbraw/zinc/06/68/21/771066821.db2.gz HJUPYNOIVWGDIN-UHFFFAOYSA-N 2 2 341.455 0.825 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1=O ZINC001019656519 771677870 /nfs/dbraw/zinc/67/78/70/771677870.db2.gz KNIHLVLYKNUMJQ-UONOGXRCSA-N 2 2 345.447 0.665 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CCc2[nH]cc[nH+]2)C1=O ZINC001045014651 774842969 /nfs/dbraw/zinc/84/29/69/774842969.db2.gz WMNYRGLARSUHDY-GJZGRUSLSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)C2CN(Cc3c[nH+]cn3C)C2)CC1 ZINC001044336084 776178867 /nfs/dbraw/zinc/17/88/67/776178867.db2.gz WURVTRSWBQBNSK-UHFFFAOYSA-N 2 2 329.448 0.408 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102604 790613513 /nfs/dbraw/zinc/61/35/13/790613513.db2.gz SIVDYDMXDYNNDL-PMPSAXMXSA-N 2 2 332.452 0.680 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102604 790613518 /nfs/dbraw/zinc/61/35/18/790613518.db2.gz SIVDYDMXDYNNDL-PMPSAXMXSA-N 2 2 332.452 0.680 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102604 790613527 /nfs/dbraw/zinc/61/35/27/790613527.db2.gz SIVDYDMXDYNNDL-PMPSAXMXSA-N 2 2 332.452 0.680 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102604 790613532 /nfs/dbraw/zinc/61/35/32/790613532.db2.gz SIVDYDMXDYNNDL-PMPSAXMXSA-N 2 2 332.452 0.680 20 30 ECEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2c1nnc(C)[nH]1 ZINC001070448990 784106519 /nfs/dbraw/zinc/10/65/19/784106519.db2.gz HTCIZGOKIMBJST-GJZGRUSLSA-N 2 2 344.463 0.314 20 30 ECEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001070963295 784244226 /nfs/dbraw/zinc/24/42/26/784244226.db2.gz KMIGDTLYZJIQNC-IRXDYDNUSA-N 2 2 348.491 0.697 20 30 ECEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001070963295 784244230 /nfs/dbraw/zinc/24/42/30/784244230.db2.gz KMIGDTLYZJIQNC-IRXDYDNUSA-N 2 2 348.491 0.697 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001070963295 784244237 /nfs/dbraw/zinc/24/42/37/784244237.db2.gz KMIGDTLYZJIQNC-IRXDYDNUSA-N 2 2 348.491 0.697 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001070963295 784244244 /nfs/dbraw/zinc/24/42/44/784244244.db2.gz KMIGDTLYZJIQNC-IRXDYDNUSA-N 2 2 348.491 0.697 20 30 ECEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070654534 784504301 /nfs/dbraw/zinc/50/43/01/784504301.db2.gz VRSIMRUHZILSNA-OAGGEKHMSA-N 2 2 344.463 0.702 20 30 ECEDLP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070654534 784504308 /nfs/dbraw/zinc/50/43/08/784504308.db2.gz VRSIMRUHZILSNA-OAGGEKHMSA-N 2 2 344.463 0.702 20 30 ECEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071235473 784803419 /nfs/dbraw/zinc/80/34/19/784803419.db2.gz FECXOJLNRQAFDS-CRAIPNDOSA-N 2 2 330.432 0.678 20 30 ECEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071235473 784803430 /nfs/dbraw/zinc/80/34/30/784803430.db2.gz FECXOJLNRQAFDS-CRAIPNDOSA-N 2 2 330.432 0.678 20 30 ECEDLP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071240712 784813324 /nfs/dbraw/zinc/81/33/24/784813324.db2.gz JTJWUQKVFIGMOZ-YJBOKZPZSA-N 2 2 330.432 0.907 20 30 ECEDLP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071240712 784813333 /nfs/dbraw/zinc/81/33/33/784813333.db2.gz JTJWUQKVFIGMOZ-YJBOKZPZSA-N 2 2 330.432 0.907 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001073667767 786918509 /nfs/dbraw/zinc/91/85/09/786918509.db2.gz OADXHTMQNQRKNW-OAHLLOKOSA-N 2 2 334.420 0.580 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001073667767 786918517 /nfs/dbraw/zinc/91/85/17/786918517.db2.gz OADXHTMQNQRKNW-OAHLLOKOSA-N 2 2 334.420 0.580 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670509 786924921 /nfs/dbraw/zinc/92/49/21/786924921.db2.gz IFRRHSYQEQEUMG-DOTOQJQBSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670509 786924927 /nfs/dbraw/zinc/92/49/27/786924927.db2.gz IFRRHSYQEQEUMG-DOTOQJQBSA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073748557 787121607 /nfs/dbraw/zinc/12/16/07/787121607.db2.gz GYQGQHLHMNBPHG-FUHWJXTLSA-N 2 2 344.459 0.984 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073748557 787121609 /nfs/dbraw/zinc/12/16/09/787121609.db2.gz GYQGQHLHMNBPHG-FUHWJXTLSA-N 2 2 344.459 0.984 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@H]2C)C1=O ZINC001074781487 787806075 /nfs/dbraw/zinc/80/60/75/787806075.db2.gz RTOFQYRVPBRPNA-HRCADAONSA-N 2 2 345.447 0.639 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)C2)C1 ZINC001072757534 788730359 /nfs/dbraw/zinc/73/03/59/788730359.db2.gz MDUNGJZUTLNUOZ-MRXNPFEDSA-N 2 2 327.432 0.958 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)C2)C1 ZINC001072757534 788730364 /nfs/dbraw/zinc/73/03/64/788730364.db2.gz MDUNGJZUTLNUOZ-MRXNPFEDSA-N 2 2 327.432 0.958 20 30 ECEDLP C#CC[N@H+]1CCC2(CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C2)C1 ZINC001072757534 788730370 /nfs/dbraw/zinc/73/03/70/788730370.db2.gz MDUNGJZUTLNUOZ-MRXNPFEDSA-N 2 2 327.432 0.958 20 30 ECEDLP C#CC[N@@H+]1CCC2(CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C2)C1 ZINC001072757534 788730379 /nfs/dbraw/zinc/73/03/79/788730379.db2.gz MDUNGJZUTLNUOZ-MRXNPFEDSA-N 2 2 327.432 0.958 20 30 ECEDLP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001073448817 789855696 /nfs/dbraw/zinc/85/56/96/789855696.db2.gz CISLTWSYEZPHBW-QGZVFWFLSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001073448817 789855705 /nfs/dbraw/zinc/85/57/05/789855705.db2.gz CISLTWSYEZPHBW-QGZVFWFLSA-N 2 2 331.460 0.655 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266345728 835735824 /nfs/dbraw/zinc/73/58/24/835735824.db2.gz XTXJMILSCUEOIS-HZPDHXFCSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266345728 835735828 /nfs/dbraw/zinc/73/58/28/835735828.db2.gz XTXJMILSCUEOIS-HZPDHXFCSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001266501900 835902681 /nfs/dbraw/zinc/90/26/81/835902681.db2.gz NVGSKHQRFNKUKW-OAGGEKHMSA-N 2 2 336.480 0.693 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001266501900 835902704 /nfs/dbraw/zinc/90/27/04/835902704.db2.gz NVGSKHQRFNKUKW-OAGGEKHMSA-N 2 2 336.480 0.693 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001266501900 835902713 /nfs/dbraw/zinc/90/27/13/835902713.db2.gz NVGSKHQRFNKUKW-OAGGEKHMSA-N 2 2 336.480 0.693 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001266501900 835902721 /nfs/dbraw/zinc/90/27/21/835902721.db2.gz NVGSKHQRFNKUKW-OAGGEKHMSA-N 2 2 336.480 0.693 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266601871 836034798 /nfs/dbraw/zinc/03/47/98/836034798.db2.gz OOKWBOVUGNEKST-KBUPBQIOSA-N 2 2 345.447 0.373 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001267053473 836687738 /nfs/dbraw/zinc/68/77/38/836687738.db2.gz PIDOVVYSXZHXAS-CABCVRRESA-N 2 2 333.436 0.402 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267073576 836720366 /nfs/dbraw/zinc/72/03/66/836720366.db2.gz VMGCOXSIQDRGDY-HOTGVXAUSA-N 2 2 345.447 0.239 20 30 ECEDLP Cc1c(C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)ccc2c[nH+]cn21 ZINC001267608856 837963983 /nfs/dbraw/zinc/96/39/83/837963983.db2.gz FHHNQACGUZOXEU-UHFFFAOYSA-N 2 2 340.431 0.856 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267731659 838422802 /nfs/dbraw/zinc/42/28/02/838422802.db2.gz MNMNKVHQPWDWOX-HOTGVXAUSA-N 2 2 336.480 0.600 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267731659 838422806 /nfs/dbraw/zinc/42/28/06/838422806.db2.gz MNMNKVHQPWDWOX-HOTGVXAUSA-N 2 2 336.480 0.600 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267745139 838450041 /nfs/dbraw/zinc/45/00/41/838450041.db2.gz HLFSIFSWAAOFNR-LSDHHAIUSA-N 2 2 334.464 0.496 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267745139 838450042 /nfs/dbraw/zinc/45/00/42/838450042.db2.gz HLFSIFSWAAOFNR-LSDHHAIUSA-N 2 2 334.464 0.496 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001267754663 838477940 /nfs/dbraw/zinc/47/79/40/838477940.db2.gz OADOSWIYGJMNCJ-MRXNPFEDSA-N 2 2 345.447 0.583 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001267754663 838477943 /nfs/dbraw/zinc/47/79/43/838477943.db2.gz OADOSWIYGJMNCJ-MRXNPFEDSA-N 2 2 345.447 0.583 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267761957 838490979 /nfs/dbraw/zinc/49/09/79/838490979.db2.gz MGPGTGRJGRZDRD-JKSUJKDBSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267761957 838490985 /nfs/dbraw/zinc/49/09/85/838490985.db2.gz MGPGTGRJGRZDRD-JKSUJKDBSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267761957 838490991 /nfs/dbraw/zinc/49/09/91/838490991.db2.gz MGPGTGRJGRZDRD-JKSUJKDBSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267761957 838490994 /nfs/dbraw/zinc/49/09/94/838490994.db2.gz MGPGTGRJGRZDRD-JKSUJKDBSA-N 2 2 336.480 0.694 20 30 ECEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000377936085 254759204 /nfs/dbraw/zinc/75/92/04/254759204.db2.gz HALDWNHFGYBGAS-OAHLLOKOSA-N 2 2 331.420 0.835 20 30 ECEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)o1 ZINC000369972163 268075429 /nfs/dbraw/zinc/07/54/29/268075429.db2.gz DIDRKFMSBMJTBY-MRXNPFEDSA-N 2 2 332.404 0.564 20 30 ECEDLP N#Cc1cnn2cc(C[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)cnc12 ZINC000515343150 268318429 /nfs/dbraw/zinc/31/84/29/268318429.db2.gz AXVBMQWTTBXXLI-AWEZNQCLSA-N 2 2 327.392 0.030 20 30 ECEDLP N#Cc1cnn2cc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)cnc12 ZINC000515343150 268318430 /nfs/dbraw/zinc/31/84/30/268318430.db2.gz AXVBMQWTTBXXLI-AWEZNQCLSA-N 2 2 327.392 0.030 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)CC1 ZINC000091080715 436441122 /nfs/dbraw/zinc/44/11/22/436441122.db2.gz KUJXYJQEWGGSBO-MRXNPFEDSA-N 2 2 329.448 0.941 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)CC1 ZINC000091080715 436441124 /nfs/dbraw/zinc/44/11/24/436441124.db2.gz KUJXYJQEWGGSBO-MRXNPFEDSA-N 2 2 329.448 0.941 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(OC[C@H]3CCOC3)CC2)CC1 ZINC000131748524 436856690 /nfs/dbraw/zinc/85/66/90/436856690.db2.gz TXJKETKZCJPFEA-KRWDZBQOSA-N 2 2 349.475 0.281 20 30 ECEDLP C[NH+]=C(NCCNC(=O)C1CC1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261947536 436897303 /nfs/dbraw/zinc/89/73/03/436897303.db2.gz GIQZJESKHZDCHM-HIFRSBDPSA-N 2 2 332.452 0.868 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180953343 437305954 /nfs/dbraw/zinc/30/59/54/437305954.db2.gz SVYSGVBJTBAZOG-CQSZACIVSA-N 2 2 339.484 0.345 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180953343 437305958 /nfs/dbraw/zinc/30/59/58/437305958.db2.gz SVYSGVBJTBAZOG-CQSZACIVSA-N 2 2 339.484 0.345 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180953343 437305964 /nfs/dbraw/zinc/30/59/64/437305964.db2.gz SVYSGVBJTBAZOG-CQSZACIVSA-N 2 2 339.484 0.345 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180953343 437305969 /nfs/dbraw/zinc/30/59/69/437305969.db2.gz SVYSGVBJTBAZOG-CQSZACIVSA-N 2 2 339.484 0.345 20 30 ECEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)C[C@H]1C ZINC000329827710 437417920 /nfs/dbraw/zinc/41/79/20/437417920.db2.gz IXTXSQXDYDPHEA-KGLIPLIRSA-N 2 2 330.498 0.336 20 30 ECEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)C[C@H]1C ZINC000329827710 437417923 /nfs/dbraw/zinc/41/79/23/437417923.db2.gz IXTXSQXDYDPHEA-KGLIPLIRSA-N 2 2 330.498 0.336 20 30 ECEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC[NH+]3CCOC(C)(C)C3)C[C@@H]21 ZINC000329952968 437436600 /nfs/dbraw/zinc/43/66/00/437436600.db2.gz NOAJAQUNFCWCOH-UONOGXRCSA-N 2 2 326.441 0.026 20 30 ECEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NCC[NH+]3CCOC(C)(C)C3)C[C@@H]21 ZINC000329952968 437436603 /nfs/dbraw/zinc/43/66/03/437436603.db2.gz NOAJAQUNFCWCOH-UONOGXRCSA-N 2 2 326.441 0.026 20 30 ECEDLP C[NH+]1CCO[C@@H]2CN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)C[C@@H]21 ZINC000329952968 437436606 /nfs/dbraw/zinc/43/66/06/437436606.db2.gz NOAJAQUNFCWCOH-UONOGXRCSA-N 2 2 326.441 0.026 20 30 ECEDLP C[NH+]1CCO[C@@H]2CN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)C[C@@H]21 ZINC000329952968 437436608 /nfs/dbraw/zinc/43/66/08/437436608.db2.gz NOAJAQUNFCWCOH-UONOGXRCSA-N 2 2 326.441 0.026 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188324482 437544857 /nfs/dbraw/zinc/54/48/57/437544857.db2.gz GRHLMEZYELHPEC-QFBILLFUSA-N 2 2 329.444 0.693 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188324482 437544862 /nfs/dbraw/zinc/54/48/62/437544862.db2.gz GRHLMEZYELHPEC-QFBILLFUSA-N 2 2 329.444 0.693 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188324482 437544870 /nfs/dbraw/zinc/54/48/70/437544870.db2.gz GRHLMEZYELHPEC-QFBILLFUSA-N 2 2 329.444 0.693 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188324482 437544876 /nfs/dbraw/zinc/54/48/76/437544876.db2.gz GRHLMEZYELHPEC-QFBILLFUSA-N 2 2 329.444 0.693 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378426553 438385073 /nfs/dbraw/zinc/38/50/73/438385073.db2.gz HYGBMWVAHHRDDK-OAHLLOKOSA-N 2 2 337.468 0.099 20 30 ECEDLP C=CCNC(=O)NC(=O)CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378426553 438385078 /nfs/dbraw/zinc/38/50/78/438385078.db2.gz HYGBMWVAHHRDDK-OAHLLOKOSA-N 2 2 337.468 0.099 20 30 ECEDLP C=CCNC(=O)NC(=O)CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378426553 438385080 /nfs/dbraw/zinc/38/50/80/438385080.db2.gz HYGBMWVAHHRDDK-OAHLLOKOSA-N 2 2 337.468 0.099 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369273831 438444990 /nfs/dbraw/zinc/44/49/90/438444990.db2.gz JXGZDPKEYHWKBU-QGZVFWFLSA-N 3 2 332.492 0.616 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369273831 438444994 /nfs/dbraw/zinc/44/49/94/438444994.db2.gz JXGZDPKEYHWKBU-QGZVFWFLSA-N 3 2 332.492 0.616 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000369127022 438426820 /nfs/dbraw/zinc/42/68/20/438426820.db2.gz SXHSSGNGINSRKZ-MRXNPFEDSA-N 2 2 348.491 0.391 20 30 ECEDLP C[C@@H](CCC#N)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000590592928 438938950 /nfs/dbraw/zinc/93/89/50/438938950.db2.gz CWIGJAYKRUTMFB-HNNXBMFYSA-N 2 2 343.497 0.036 20 30 ECEDLP C[C@@H](CC#N)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000597167571 439051089 /nfs/dbraw/zinc/05/10/89/439051089.db2.gz KYQURHYDZMRINV-HNNXBMFYSA-N 2 2 349.479 0.233 20 30 ECEDLP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000591726591 439077050 /nfs/dbraw/zinc/07/70/50/439077050.db2.gz RKUFYCMIEZBEFJ-GOSISDBHSA-N 2 2 331.464 0.842 20 30 ECEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000525686554 439211022 /nfs/dbraw/zinc/21/10/22/439211022.db2.gz ANJCGENKBWCMBJ-MJGOQNOKSA-N 2 2 347.507 0.895 20 30 ECEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)C1 ZINC000592499466 439240637 /nfs/dbraw/zinc/24/06/37/439240637.db2.gz DJGNCXMHBIPUJK-QGZVFWFLSA-N 2 2 339.447 0.813 20 30 ECEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)C1 ZINC000592499466 439240640 /nfs/dbraw/zinc/24/06/40/439240640.db2.gz DJGNCXMHBIPUJK-QGZVFWFLSA-N 2 2 339.447 0.813 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2ccc(CC)cc2)CC1 ZINC000490932755 439313417 /nfs/dbraw/zinc/31/34/17/439313417.db2.gz AESIKMNTZRYMLY-GOSISDBHSA-N 2 2 329.444 0.649 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000569351028 439325553 /nfs/dbraw/zinc/32/55/53/439325553.db2.gz JMBHNWXUGSJGEV-AWEZNQCLSA-N 2 2 334.445 0.801 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000569351028 439325556 /nfs/dbraw/zinc/32/55/56/439325556.db2.gz JMBHNWXUGSJGEV-AWEZNQCLSA-N 2 2 334.445 0.801 20 30 ECEDLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000593051482 439335567 /nfs/dbraw/zinc/33/55/67/439335567.db2.gz NZPICDCJRVMCJR-MRXNPFEDSA-N 2 2 346.431 0.004 20 30 ECEDLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000593051482 439335573 /nfs/dbraw/zinc/33/55/73/439335573.db2.gz NZPICDCJRVMCJR-MRXNPFEDSA-N 2 2 346.431 0.004 20 30 ECEDLP C#CC[NH+](C)CCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000491404348 439377913 /nfs/dbraw/zinc/37/79/13/439377913.db2.gz BHWKDJQHCXLIRF-UHFFFAOYSA-N 3 2 337.512 0.609 20 30 ECEDLP C#CC[NH+](C)CCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000491404348 439377918 /nfs/dbraw/zinc/37/79/18/439377918.db2.gz BHWKDJQHCXLIRF-UHFFFAOYSA-N 3 2 337.512 0.609 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000491404348 439377920 /nfs/dbraw/zinc/37/79/20/439377920.db2.gz BHWKDJQHCXLIRF-UHFFFAOYSA-N 3 2 337.512 0.609 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000491404348 439377926 /nfs/dbraw/zinc/37/79/26/439377926.db2.gz BHWKDJQHCXLIRF-UHFFFAOYSA-N 3 2 337.512 0.609 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN(C)Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000491634595 439416247 /nfs/dbraw/zinc/41/62/47/439416247.db2.gz UFGOIUHJTAQLDT-UHFFFAOYSA-N 2 2 344.459 0.916 20 30 ECEDLP C[C@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000584585881 439602849 /nfs/dbraw/zinc/60/28/49/439602849.db2.gz BMKTUMOBZDNASW-WBVHZDCISA-N 2 2 333.432 0.856 20 30 ECEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cncc(C#N)c1 ZINC000594802807 439616374 /nfs/dbraw/zinc/61/63/74/439616374.db2.gz CUXYVNSREKMBGN-ZDUSSCGKSA-N 2 2 339.465 0.504 20 30 ECEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cncc(C#N)c1 ZINC000594802807 439616378 /nfs/dbraw/zinc/61/63/78/439616378.db2.gz CUXYVNSREKMBGN-ZDUSSCGKSA-N 2 2 339.465 0.504 20 30 ECEDLP Cc1nc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000595124095 439657749 /nfs/dbraw/zinc/65/77/49/439657749.db2.gz DPZZDHQIJDXFTP-UHFFFAOYSA-N 2 2 346.435 0.200 20 30 ECEDLP Cc1nc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000595124095 439657752 /nfs/dbraw/zinc/65/77/52/439657752.db2.gz DPZZDHQIJDXFTP-UHFFFAOYSA-N 2 2 346.435 0.200 20 30 ECEDLP CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594821303 439622179 /nfs/dbraw/zinc/62/21/79/439622179.db2.gz LZLAJPLYPVZRAC-AWEZNQCLSA-N 2 2 333.502 0.186 20 30 ECEDLP CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594821303 439622181 /nfs/dbraw/zinc/62/21/81/439622181.db2.gz LZLAJPLYPVZRAC-AWEZNQCLSA-N 2 2 333.502 0.186 20 30 ECEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600719652 439695144 /nfs/dbraw/zinc/69/51/44/439695144.db2.gz DFRPFBSNLJQZPD-HOTGVXAUSA-N 2 2 325.453 0.758 20 30 ECEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600719652 439695147 /nfs/dbraw/zinc/69/51/47/439695147.db2.gz DFRPFBSNLJQZPD-HOTGVXAUSA-N 2 2 325.453 0.758 20 30 ECEDLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000329389159 546022249 /nfs/dbraw/zinc/02/22/49/546022249.db2.gz RRJOWMKBPGCEMR-UHFFFAOYSA-N 2 2 337.468 0.235 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)CC1 ZINC000748818243 579329449 /nfs/dbraw/zinc/32/94/49/579329449.db2.gz SLDAGHFTHCFTIH-QGZVFWFLSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)CC1 ZINC000748818243 579329451 /nfs/dbraw/zinc/32/94/51/579329451.db2.gz SLDAGHFTHCFTIH-QGZVFWFLSA-N 2 2 346.475 0.241 20 30 ECEDLP C#C[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000775798179 579271517 /nfs/dbraw/zinc/27/15/17/579271517.db2.gz GMWXFNJPNIRLSL-YESZJQIVSA-N 2 2 342.443 0.889 20 30 ECEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc(C#CCO)c2)CC1 ZINC000900955316 586678962 /nfs/dbraw/zinc/67/89/62/586678962.db2.gz OZOOUGYPPGVJET-UHFFFAOYSA-N 2 2 329.444 0.786 20 30 ECEDLP C#Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000850595496 589370672 /nfs/dbraw/zinc/37/06/72/589370672.db2.gz ALWLYDBPRPREKA-UHFFFAOYSA-N 2 2 330.432 0.606 20 30 ECEDLP C#Cc1cccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000850595496 589370673 /nfs/dbraw/zinc/37/06/73/589370673.db2.gz ALWLYDBPRPREKA-UHFFFAOYSA-N 2 2 330.432 0.606 20 30 ECEDLP Cc1nn(C[C@@H](O)C[N@H+](C)CCC#N)c(C)c1[C@@H]1COCC[NH+]1C ZINC000871986698 590095469 /nfs/dbraw/zinc/09/54/69/590095469.db2.gz PAWUAYPOUBYYFH-HOTGVXAUSA-N 2 2 335.452 0.709 20 30 ECEDLP Cc1nn(C[C@@H](O)C[N@@H+](C)CCC#N)c(C)c1[C@@H]1COCC[NH+]1C ZINC000871986698 590095471 /nfs/dbraw/zinc/09/54/71/590095471.db2.gz PAWUAYPOUBYYFH-HOTGVXAUSA-N 2 2 335.452 0.709 20 30 ECEDLP Cc1nn(C[C@@H](O)C[NH+](C)CCC#N)c(C)c1[C@@H]1COCC[N@@H+]1C ZINC000871986698 590095472 /nfs/dbraw/zinc/09/54/72/590095472.db2.gz PAWUAYPOUBYYFH-HOTGVXAUSA-N 2 2 335.452 0.709 20 30 ECEDLP Cc1nn(C[C@@H](O)C[NH+](C)CCC#N)c(C)c1[C@@H]1COCC[N@H+]1C ZINC000871986698 590095473 /nfs/dbraw/zinc/09/54/73/590095473.db2.gz PAWUAYPOUBYYFH-HOTGVXAUSA-N 2 2 335.452 0.709 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000876776398 590413804 /nfs/dbraw/zinc/41/38/04/590413804.db2.gz CJNJKXVGLNYMSB-ZIAGYGMSSA-N 2 2 342.871 0.611 20 30 ECEDLP C[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000878434247 590521013 /nfs/dbraw/zinc/52/10/13/590521013.db2.gz SOYGSBOZYSZBFL-UHFFFAOYSA-N 2 2 342.447 0.286 20 30 ECEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000884176629 590762644 /nfs/dbraw/zinc/76/26/44/590762644.db2.gz KDIYGGNZXCWHSK-SWKXRBFHSA-N 2 2 325.416 0.870 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000884217003 590779660 /nfs/dbraw/zinc/77/96/60/590779660.db2.gz BHWLWBDBCZYDNN-AWEZNQCLSA-N 2 2 341.452 0.439 20 30 ECEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](Cc3ccccn3)CC1)C2 ZINC000884233661 590785080 /nfs/dbraw/zinc/78/50/80/590785080.db2.gz UPHWQMDYMHFDQA-KOHRHEQBSA-N 2 2 339.443 0.865 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000884273110 590793288 /nfs/dbraw/zinc/79/32/88/590793288.db2.gz JLZBRVNBPLSBBP-IRXDYDNUSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000884273110 590793291 /nfs/dbraw/zinc/79/32/91/590793291.db2.gz JLZBRVNBPLSBBP-IRXDYDNUSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000884273110 590793295 /nfs/dbraw/zinc/79/32/95/590793295.db2.gz JLZBRVNBPLSBBP-IRXDYDNUSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000884273110 590793296 /nfs/dbraw/zinc/79/32/96/590793296.db2.gz JLZBRVNBPLSBBP-IRXDYDNUSA-N 2 2 335.496 0.409 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000884328621 590806967 /nfs/dbraw/zinc/80/69/67/590806967.db2.gz UQGJTGQKAGWVJV-KBMXLJTQSA-N 2 2 335.448 0.908 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000884328621 590806971 /nfs/dbraw/zinc/80/69/71/590806971.db2.gz UQGJTGQKAGWVJV-KBMXLJTQSA-N 2 2 335.448 0.908 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130685 590946750 /nfs/dbraw/zinc/94/67/50/590946750.db2.gz IZZDPSLGUIXHIV-UONOGXRCSA-N 2 2 331.420 0.992 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130685 590946753 /nfs/dbraw/zinc/94/67/53/590946753.db2.gz IZZDPSLGUIXHIV-UONOGXRCSA-N 2 2 331.420 0.992 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000890360973 591151114 /nfs/dbraw/zinc/15/11/14/591151114.db2.gz HFHJYXLKPGMFTR-SFHVURJKSA-N 2 2 348.491 0.838 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000890360973 591151116 /nfs/dbraw/zinc/15/11/16/591151116.db2.gz HFHJYXLKPGMFTR-SFHVURJKSA-N 2 2 348.491 0.838 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1 ZINC000890367065 591153701 /nfs/dbraw/zinc/15/37/01/591153701.db2.gz IHTKUNANCJVRQC-KRWDZBQOSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1 ZINC000890367065 591153704 /nfs/dbraw/zinc/15/37/04/591153704.db2.gz IHTKUNANCJVRQC-KRWDZBQOSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)C1 ZINC000890367065 591153708 /nfs/dbraw/zinc/15/37/08/591153708.db2.gz IHTKUNANCJVRQC-KRWDZBQOSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)C1 ZINC000890367065 591153710 /nfs/dbraw/zinc/15/37/10/591153710.db2.gz IHTKUNANCJVRQC-KRWDZBQOSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926142172 611518751 /nfs/dbraw/zinc/51/87/51/611518751.db2.gz NYMZHIBPUQAQCQ-BCDMZGRMSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926142172 611518762 /nfs/dbraw/zinc/51/87/62/611518762.db2.gz NYMZHIBPUQAQCQ-BCDMZGRMSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[NH+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926142172 611518770 /nfs/dbraw/zinc/51/87/70/611518770.db2.gz NYMZHIBPUQAQCQ-BCDMZGRMSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[NH+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926142172 611518773 /nfs/dbraw/zinc/51/87/73/611518773.db2.gz NYMZHIBPUQAQCQ-BCDMZGRMSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408649 610722819 /nfs/dbraw/zinc/72/28/19/610722819.db2.gz OPIVEGNMORXXTA-IAGOWNOFSA-N 2 2 330.476 0.322 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408649 610722820 /nfs/dbraw/zinc/72/28/20/610722820.db2.gz OPIVEGNMORXXTA-IAGOWNOFSA-N 2 2 330.476 0.322 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000923201887 611213990 /nfs/dbraw/zinc/21/39/90/611213990.db2.gz VJKVAKFVDPENKJ-INIZCTEOSA-N 3 2 337.512 0.655 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000923201887 611213991 /nfs/dbraw/zinc/21/39/91/611213991.db2.gz VJKVAKFVDPENKJ-INIZCTEOSA-N 3 2 337.512 0.655 20 30 ECEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000933651796 611738765 /nfs/dbraw/zinc/73/87/65/611738765.db2.gz CAACPBAGUPAPJP-OAHLLOKOSA-N 2 2 335.448 0.877 20 30 ECEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370412 611954741 /nfs/dbraw/zinc/95/47/41/611954741.db2.gz RFHCMXZMMOKECI-DLBZAZTESA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370412 611954743 /nfs/dbraw/zinc/95/47/43/611954743.db2.gz RFHCMXZMMOKECI-DLBZAZTESA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370412 611954745 /nfs/dbraw/zinc/95/47/45/611954745.db2.gz RFHCMXZMMOKECI-DLBZAZTESA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370412 611954746 /nfs/dbraw/zinc/95/47/46/611954746.db2.gz RFHCMXZMMOKECI-DLBZAZTESA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001024987489 738461977 /nfs/dbraw/zinc/46/19/77/738461977.db2.gz LTWXPKIBZFYBBG-ROUUACIJSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001024987489 738461978 /nfs/dbraw/zinc/46/19/78/738461978.db2.gz LTWXPKIBZFYBBG-ROUUACIJSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC001024987791 738462536 /nfs/dbraw/zinc/46/25/36/738462536.db2.gz URDAEGOABWUNKP-SJORKVTESA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC001024987791 738462539 /nfs/dbraw/zinc/46/25/39/738462539.db2.gz URDAEGOABWUNKP-SJORKVTESA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cnc(C)nc2)C1 ZINC000971703248 734964031 /nfs/dbraw/zinc/96/40/31/734964031.db2.gz BJNDDGSZDQHJRX-ROUUACIJSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cnc(C)nc2)C1 ZINC000971703248 734964035 /nfs/dbraw/zinc/96/40/35/734964035.db2.gz BJNDDGSZDQHJRX-ROUUACIJSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC000971703713 734965096 /nfs/dbraw/zinc/96/50/96/734965096.db2.gz MBGSIHDICTYCPY-SJORKVTESA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC000971703713 734965098 /nfs/dbraw/zinc/96/50/98/734965098.db2.gz MBGSIHDICTYCPY-SJORKVTESA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ccn(C)n2)C1 ZINC000971703713 734965100 /nfs/dbraw/zinc/96/51/00/734965100.db2.gz MBGSIHDICTYCPY-SJORKVTESA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ccn(C)n2)C1 ZINC000971703713 734965103 /nfs/dbraw/zinc/96/51/03/734965103.db2.gz MBGSIHDICTYCPY-SJORKVTESA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000972479823 736301319 /nfs/dbraw/zinc/30/13/19/736301319.db2.gz CWNSWSWPLZHOFZ-MJGOQNOKSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000972479823 736301323 /nfs/dbraw/zinc/30/13/23/736301323.db2.gz CWNSWSWPLZHOFZ-MJGOQNOKSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001098575052 736482067 /nfs/dbraw/zinc/48/20/67/736482067.db2.gz AAUZTODARHARBG-GOSISDBHSA-N 2 2 344.459 0.603 20 30 ECEDLP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001098575052 736482068 /nfs/dbraw/zinc/48/20/68/736482068.db2.gz AAUZTODARHARBG-GOSISDBHSA-N 2 2 344.459 0.603 20 30 ECEDLP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972598641 737048781 /nfs/dbraw/zinc/04/87/81/737048781.db2.gz HKFKYYHAPRGOFS-GOSISDBHSA-N 2 2 337.464 0.588 20 30 ECEDLP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972598641 737048783 /nfs/dbraw/zinc/04/87/83/737048783.db2.gz HKFKYYHAPRGOFS-GOSISDBHSA-N 2 2 337.464 0.588 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972675619 737348175 /nfs/dbraw/zinc/34/81/75/737348175.db2.gz CSDWIYZYTDOOOG-HKUYNNGSSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972675619 737348177 /nfs/dbraw/zinc/34/81/77/737348177.db2.gz CSDWIYZYTDOOOG-HKUYNNGSSA-N 2 2 349.475 0.281 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC001026584021 741577488 /nfs/dbraw/zinc/57/74/88/741577488.db2.gz LHJGFZJIHHRROH-NRXISQOPSA-N 2 2 345.447 0.756 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)nn1 ZINC001105297525 741675217 /nfs/dbraw/zinc/67/52/17/741675217.db2.gz PGPRSXQHFDLNRP-UHFFFAOYSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3cnon3)C2)CC1 ZINC001029001628 743152999 /nfs/dbraw/zinc/15/29/99/743152999.db2.gz ACZQGDXTLXBCEQ-CQSZACIVSA-N 2 2 331.420 0.353 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3cnon3)C2)CC1 ZINC001029001628 743153006 /nfs/dbraw/zinc/15/30/06/743153006.db2.gz ACZQGDXTLXBCEQ-CQSZACIVSA-N 2 2 331.420 0.353 20 30 ECEDLP C#CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000998302912 744108854 /nfs/dbraw/zinc/10/88/54/744108854.db2.gz KKAGZYNHFQYMRH-KBPBESRZSA-N 2 2 347.381 0.711 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)CC3CC[NH+](C)CC3)C2)nn1 ZINC001105339085 744257686 /nfs/dbraw/zinc/25/76/86/744257686.db2.gz JDOZGQBHWHGHRK-UHFFFAOYSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000999398147 744675197 /nfs/dbraw/zinc/67/51/97/744675197.db2.gz ODOXMCALUDZSCK-CVEARBPZSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000999398147 744675200 /nfs/dbraw/zinc/67/52/00/744675200.db2.gz ODOXMCALUDZSCK-CVEARBPZSA-N 2 2 329.448 0.598 20 30 ECEDLP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001105382588 744984001 /nfs/dbraw/zinc/98/40/01/744984001.db2.gz JXCCGQYWJIHKPC-UHFFFAOYSA-N 2 2 329.408 0.614 20 30 ECEDLP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)c3cc([C@H]4CCC[N@H+]4C)n[nH]3)[C@@H]2C1 ZINC000978221241 746069945 /nfs/dbraw/zinc/06/99/45/746069945.db2.gz JXDAMQJVIPBKKO-VWPFQQQWSA-N 2 2 327.432 0.717 20 30 ECEDLP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)c3cc([C@H]4CCC[N@@H+]4C)n[nH]3)[C@@H]2C1 ZINC000978221241 746069950 /nfs/dbraw/zinc/06/99/50/746069950.db2.gz JXDAMQJVIPBKKO-VWPFQQQWSA-N 2 2 327.432 0.717 20 30 ECEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc([C@H]4CCC[NH+]4C)n[nH]3)[C@@H]2C1 ZINC000978221241 746069953 /nfs/dbraw/zinc/06/99/53/746069953.db2.gz JXDAMQJVIPBKKO-VWPFQQQWSA-N 2 2 327.432 0.717 20 30 ECEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc([C@H]4CCC[NH+]4C)n[nH]3)[C@@H]2C1 ZINC000978221241 746069960 /nfs/dbraw/zinc/06/99/60/746069960.db2.gz JXDAMQJVIPBKKO-VWPFQQQWSA-N 2 2 327.432 0.717 20 30 ECEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1CC ZINC001087668085 746164674 /nfs/dbraw/zinc/16/46/74/746164674.db2.gz BJOCYQQNWHDUAK-XDNAFOTISA-N 2 2 349.475 0.469 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1CC ZINC001087668085 746164676 /nfs/dbraw/zinc/16/46/76/746164676.db2.gz BJOCYQQNWHDUAK-XDNAFOTISA-N 2 2 349.475 0.469 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001098723208 747717518 /nfs/dbraw/zinc/71/75/18/747717518.db2.gz VTHDVCQNYCOCRU-MRXNPFEDSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccn(C)n2)C1 ZINC001029757656 748268067 /nfs/dbraw/zinc/26/80/67/748268067.db2.gz FZEKBRCWSSRWCK-AEFFLSMTSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccn(C)n2)C1 ZINC001029757656 748268072 /nfs/dbraw/zinc/26/80/72/748268072.db2.gz FZEKBRCWSSRWCK-AEFFLSMTSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2ccn(C)n2)C1 ZINC001029757656 748268076 /nfs/dbraw/zinc/26/80/76/748268076.db2.gz FZEKBRCWSSRWCK-AEFFLSMTSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2ccn(C)n2)C1 ZINC001029757656 748268077 /nfs/dbraw/zinc/26/80/77/748268077.db2.gz FZEKBRCWSSRWCK-AEFFLSMTSA-N 2 2 343.475 0.798 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001029852887 748829385 /nfs/dbraw/zinc/82/93/85/748829385.db2.gz JJPJADWGWFQYSR-GDBMZVCRSA-N 2 2 345.447 0.519 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001029852887 748829392 /nfs/dbraw/zinc/82/93/92/748829392.db2.gz JJPJADWGWFQYSR-GDBMZVCRSA-N 2 2 345.447 0.519 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC000980410242 749515207 /nfs/dbraw/zinc/51/52/07/749515207.db2.gz ZRNYBIPNMUBLHK-HZPDHXFCSA-N 2 2 345.447 0.511 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC000980410242 749515209 /nfs/dbraw/zinc/51/52/09/749515209.db2.gz ZRNYBIPNMUBLHK-HZPDHXFCSA-N 2 2 345.447 0.511 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000981459243 750716281 /nfs/dbraw/zinc/71/62/81/750716281.db2.gz PQCWYMMICDDBHX-IRXDYDNUSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000981459243 750716283 /nfs/dbraw/zinc/71/62/83/750716283.db2.gz PQCWYMMICDDBHX-IRXDYDNUSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1=O ZINC000981459243 750716285 /nfs/dbraw/zinc/71/62/85/750716285.db2.gz PQCWYMMICDDBHX-IRXDYDNUSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1=O ZINC000981459243 750716286 /nfs/dbraw/zinc/71/62/86/750716286.db2.gz PQCWYMMICDDBHX-IRXDYDNUSA-N 2 2 348.491 0.792 20 30 ECEDLP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981667239 750946304 /nfs/dbraw/zinc/94/63/04/750946304.db2.gz OLTVPXUTPIGPLE-MSOLQXFVSA-N 2 2 349.475 0.424 20 30 ECEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981667239 750946308 /nfs/dbraw/zinc/94/63/08/750946308.db2.gz OLTVPXUTPIGPLE-MSOLQXFVSA-N 2 2 349.475 0.424 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC001007519144 752476073 /nfs/dbraw/zinc/47/60/73/752476073.db2.gz JFFJTVPHPPIHOV-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC001007519144 752476075 /nfs/dbraw/zinc/47/60/75/752476075.db2.gz JFFJTVPHPPIHOV-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCCC2=O)C1 ZINC001007519144 752476076 /nfs/dbraw/zinc/47/60/76/752476076.db2.gz JFFJTVPHPPIHOV-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCN2CCCC2=O)C1 ZINC001007519144 752476078 /nfs/dbraw/zinc/47/60/78/752476078.db2.gz JFFJTVPHPPIHOV-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCCC2=O)[C@@H]1C ZINC001088632068 753436530 /nfs/dbraw/zinc/43/65/30/753436530.db2.gz VOFVDTMRQRAHOX-IKGGRYGDSA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCCC2=O)[C@@H]1C ZINC001088632068 753436533 /nfs/dbraw/zinc/43/65/33/753436533.db2.gz VOFVDTMRQRAHOX-IKGGRYGDSA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCCC2=O)[C@@H]1C ZINC001088632068 753436535 /nfs/dbraw/zinc/43/65/35/753436535.db2.gz VOFVDTMRQRAHOX-IKGGRYGDSA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCCC2=O)[C@@H]1C ZINC001088632068 753436537 /nfs/dbraw/zinc/43/65/37/753436537.db2.gz VOFVDTMRQRAHOX-IKGGRYGDSA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001028600852 753875813 /nfs/dbraw/zinc/87/58/13/753875813.db2.gz FMLDJFHJCYDFAP-WMZOPIPTSA-N 2 2 343.475 0.764 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001028600852 753875825 /nfs/dbraw/zinc/87/58/25/753875825.db2.gz FMLDJFHJCYDFAP-WMZOPIPTSA-N 2 2 343.475 0.764 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001028600852 753875833 /nfs/dbraw/zinc/87/58/33/753875833.db2.gz FMLDJFHJCYDFAP-WMZOPIPTSA-N 2 2 343.475 0.764 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001028600852 753875840 /nfs/dbraw/zinc/87/58/40/753875840.db2.gz FMLDJFHJCYDFAP-WMZOPIPTSA-N 2 2 343.475 0.764 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1O ZINC001083535796 755976324 /nfs/dbraw/zinc/97/63/24/755976324.db2.gz MJXKYILKSJDQBH-SQNIBIBYSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@@H]1O ZINC001083535796 755976327 /nfs/dbraw/zinc/97/63/27/755976327.db2.gz MJXKYILKSJDQBH-SQNIBIBYSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@@H]1O ZINC001083535796 755976331 /nfs/dbraw/zinc/97/63/31/755976331.db2.gz MJXKYILKSJDQBH-SQNIBIBYSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@@H]1O ZINC001083535796 755976333 /nfs/dbraw/zinc/97/63/33/755976333.db2.gz MJXKYILKSJDQBH-SQNIBIBYSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccn(C)n3)C[C@@H]2C1 ZINC001048868682 757232387 /nfs/dbraw/zinc/23/23/87/757232387.db2.gz IOKXQAZQOKSVHH-JZXOWHBKSA-N 2 2 341.459 0.408 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccn(C)n3)C[C@@H]2C1 ZINC001048868682 757232394 /nfs/dbraw/zinc/23/23/94/757232394.db2.gz IOKXQAZQOKSVHH-JZXOWHBKSA-N 2 2 341.459 0.408 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccn(C)n3)C[C@@H]2C1 ZINC001048868682 757232401 /nfs/dbraw/zinc/23/24/01/757232401.db2.gz IOKXQAZQOKSVHH-JZXOWHBKSA-N 2 2 341.459 0.408 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccn(C)n3)C[C@@H]2C1 ZINC001048868682 757232409 /nfs/dbraw/zinc/23/24/09/757232409.db2.gz IOKXQAZQOKSVHH-JZXOWHBKSA-N 2 2 341.459 0.408 20 30 ECEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001077015358 757926438 /nfs/dbraw/zinc/92/64/38/757926438.db2.gz QDLSYVIOSDXWFL-QBPKDAKJSA-N 2 2 344.459 0.891 20 30 ECEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001077015358 757926444 /nfs/dbraw/zinc/92/64/44/757926444.db2.gz QDLSYVIOSDXWFL-QBPKDAKJSA-N 2 2 344.459 0.891 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001022221105 758443458 /nfs/dbraw/zinc/44/34/58/758443458.db2.gz XXFVAWMHELOFAW-ZNMIVQPWSA-N 2 2 348.426 0.082 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001022221105 758443462 /nfs/dbraw/zinc/44/34/62/758443462.db2.gz XXFVAWMHELOFAW-ZNMIVQPWSA-N 2 2 348.426 0.082 20 30 ECEDLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077237419 758569925 /nfs/dbraw/zinc/56/99/25/758569925.db2.gz JHDKHGLGAYUFAN-FGTMMUONSA-N 2 2 342.443 0.704 20 30 ECEDLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077237419 758569933 /nfs/dbraw/zinc/56/99/33/758569933.db2.gz JHDKHGLGAYUFAN-FGTMMUONSA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077237419 758569938 /nfs/dbraw/zinc/56/99/38/758569938.db2.gz JHDKHGLGAYUFAN-FGTMMUONSA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077237419 758569949 /nfs/dbraw/zinc/56/99/49/758569949.db2.gz JHDKHGLGAYUFAN-FGTMMUONSA-N 2 2 342.443 0.704 20 30 ECEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001049517922 758844638 /nfs/dbraw/zinc/84/46/38/758844638.db2.gz NMADOLWZYORTAE-ZACQAIPSSA-N 2 2 329.448 0.512 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001049517922 758844648 /nfs/dbraw/zinc/84/46/48/758844648.db2.gz NMADOLWZYORTAE-ZACQAIPSSA-N 2 2 329.448 0.512 20 30 ECEDLP CN1CC[NH+](Cc2ccc(C(=O)NCC#CC[NH+](C)C)cc2)CC1 ZINC000913518818 761047980 /nfs/dbraw/zinc/04/79/80/761047980.db2.gz BUTWSVVXCINZIO-UHFFFAOYSA-N 2 2 328.460 0.729 20 30 ECEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001050921169 761147364 /nfs/dbraw/zinc/14/73/64/761147364.db2.gz PPLXTFGCAAQRIA-OAHLLOKOSA-N 2 2 335.452 0.451 20 30 ECEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001050921169 761147369 /nfs/dbraw/zinc/14/73/69/761147369.db2.gz PPLXTFGCAAQRIA-OAHLLOKOSA-N 2 2 335.452 0.451 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001106278686 768056042 /nfs/dbraw/zinc/05/60/42/768056042.db2.gz GZBMNABMFXTFLI-KLHDSHLOSA-N 2 2 330.432 0.847 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001106278686 768056048 /nfs/dbraw/zinc/05/60/48/768056048.db2.gz GZBMNABMFXTFLI-KLHDSHLOSA-N 2 2 330.432 0.847 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2CC[C@@H](C)F)CC1 ZINC001051254276 761774577 /nfs/dbraw/zinc/77/45/77/761774577.db2.gz GKMVZJXBMPTMPP-WBVHZDCISA-N 2 2 339.455 0.897 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001051254276 761774581 /nfs/dbraw/zinc/77/45/81/761774581.db2.gz GKMVZJXBMPTMPP-WBVHZDCISA-N 2 2 339.455 0.897 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1=O ZINC000940356346 763281816 /nfs/dbraw/zinc/28/18/16/763281816.db2.gz OBFHCSFBULTNGF-OAHLLOKOSA-N 2 2 345.447 0.710 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001106308876 768132590 /nfs/dbraw/zinc/13/25/90/768132590.db2.gz FQCJYGQPMJRQDR-NVXWUHKLSA-N 2 2 345.443 0.967 20 30 ECEDLP N#Cc1ccccc1C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001051949345 763423854 /nfs/dbraw/zinc/42/38/54/763423854.db2.gz ZGOVQTLDXKRXKH-KRWDZBQOSA-N 2 2 339.399 0.772 20 30 ECEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052035627 763643955 /nfs/dbraw/zinc/64/39/55/763643955.db2.gz LWNLRTOVNQYCQE-IRXDYDNUSA-N 2 2 333.480 0.603 20 30 ECEDLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052035627 763643961 /nfs/dbraw/zinc/64/39/61/763643961.db2.gz LWNLRTOVNQYCQE-IRXDYDNUSA-N 2 2 333.480 0.603 20 30 ECEDLP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001052052784 763716963 /nfs/dbraw/zinc/71/69/63/763716963.db2.gz XHUKZNIIUQRRSL-QGZVFWFLSA-N 2 2 329.448 0.433 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001052056572 763728876 /nfs/dbraw/zinc/72/88/76/763728876.db2.gz FQLVYLQWXJXLRU-RBUKOAKNSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001052056572 763728879 /nfs/dbraw/zinc/72/88/79/763728879.db2.gz FQLVYLQWXJXLRU-RBUKOAKNSA-N 2 2 344.503 0.713 20 30 ECEDLP C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052108446 763891949 /nfs/dbraw/zinc/89/19/49/763891949.db2.gz MLKIJKGWCWPSPX-KRWDZBQOSA-N 2 2 332.492 0.877 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001047388235 764185917 /nfs/dbraw/zinc/18/59/17/764185917.db2.gz MAAUAAGPADTWDZ-ULQDDVLXSA-N 2 2 347.463 0.870 20 30 ECEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001047388235 764185924 /nfs/dbraw/zinc/18/59/24/764185924.db2.gz MAAUAAGPADTWDZ-ULQDDVLXSA-N 2 2 347.463 0.870 20 30 ECEDLP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001047388235 764185933 /nfs/dbraw/zinc/18/59/33/764185933.db2.gz MAAUAAGPADTWDZ-ULQDDVLXSA-N 2 2 347.463 0.870 20 30 ECEDLP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001047388235 764185937 /nfs/dbraw/zinc/18/59/37/764185937.db2.gz MAAUAAGPADTWDZ-ULQDDVLXSA-N 2 2 347.463 0.870 20 30 ECEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047627897 764926829 /nfs/dbraw/zinc/92/68/29/764926829.db2.gz YYRPSNMVZMZBLO-OALUTQOASA-N 2 2 341.455 0.637 20 30 ECEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047627897 764926834 /nfs/dbraw/zinc/92/68/34/764926834.db2.gz YYRPSNMVZMZBLO-OALUTQOASA-N 2 2 341.455 0.637 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC001052823722 765184531 /nfs/dbraw/zinc/18/45/31/765184531.db2.gz MPYCPGUUHWIOCJ-LSDHHAIUSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC001052823722 765184533 /nfs/dbraw/zinc/18/45/33/765184533.db2.gz MPYCPGUUHWIOCJ-LSDHHAIUSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3cnon3)CC2)CC1 ZINC001052953671 765409156 /nfs/dbraw/zinc/40/91/56/765409156.db2.gz FLVXEVYEVCEDPV-MRXNPFEDSA-N 2 2 345.447 0.886 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnon3)CC2)CC1 ZINC001052953671 765409165 /nfs/dbraw/zinc/40/91/65/765409165.db2.gz FLVXEVYEVCEDPV-MRXNPFEDSA-N 2 2 345.447 0.886 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001052970855 765433043 /nfs/dbraw/zinc/43/30/43/765433043.db2.gz ZVKPMSMYQMDWFO-JKSUJKDBSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001052970855 765433048 /nfs/dbraw/zinc/43/30/48/765433048.db2.gz ZVKPMSMYQMDWFO-JKSUJKDBSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)c1ccn(CC[NH+](C)C)n1)CCO2 ZINC001053259764 765859543 /nfs/dbraw/zinc/85/95/43/765859543.db2.gz LFUCIGSDPKZAOG-UHFFFAOYSA-N 2 2 347.463 0.548 20 30 ECEDLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304922 766080578 /nfs/dbraw/zinc/08/05/78/766080578.db2.gz ISODZJDOLVWICE-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304922 766080584 /nfs/dbraw/zinc/08/05/84/766080584.db2.gz ISODZJDOLVWICE-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304922 766080589 /nfs/dbraw/zinc/08/05/89/766080589.db2.gz ISODZJDOLVWICE-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304922 766080595 /nfs/dbraw/zinc/08/05/95/766080595.db2.gz ISODZJDOLVWICE-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)O2 ZINC001053638991 766494909 /nfs/dbraw/zinc/49/49/09/766494909.db2.gz FTUWOQHKSMVHSZ-GARNVTTQSA-N 2 2 347.459 0.385 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)O2 ZINC001053638991 766494916 /nfs/dbraw/zinc/49/49/16/766494916.db2.gz FTUWOQHKSMVHSZ-GARNVTTQSA-N 2 2 347.459 0.385 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001046036177 766725243 /nfs/dbraw/zinc/72/52/43/766725243.db2.gz CARUWJSOUGQYOK-SJORKVTESA-N 2 2 336.455 0.272 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001046036177 766725250 /nfs/dbraw/zinc/72/52/50/766725250.db2.gz CARUWJSOUGQYOK-SJORKVTESA-N 2 2 336.455 0.272 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CCF)C2)CC1 ZINC001046036177 766725256 /nfs/dbraw/zinc/72/52/56/766725256.db2.gz CARUWJSOUGQYOK-SJORKVTESA-N 2 2 336.455 0.272 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[NH+](CCF)C2)CC1 ZINC001046036177 766725263 /nfs/dbraw/zinc/72/52/63/766725263.db2.gz CARUWJSOUGQYOK-SJORKVTESA-N 2 2 336.455 0.272 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001046065538 766849619 /nfs/dbraw/zinc/84/96/19/766849619.db2.gz APGRHVDYVHMWQB-DLBZAZTESA-N 2 2 329.448 0.686 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001046065538 766849630 /nfs/dbraw/zinc/84/96/30/766849630.db2.gz APGRHVDYVHMWQB-DLBZAZTESA-N 2 2 329.448 0.686 20 30 ECEDLP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046076223 766902370 /nfs/dbraw/zinc/90/23/70/766902370.db2.gz KSXCXTOVYZUHDP-INIZCTEOSA-N 2 2 329.448 0.204 20 30 ECEDLP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046076223 766902380 /nfs/dbraw/zinc/90/23/80/766902380.db2.gz KSXCXTOVYZUHDP-INIZCTEOSA-N 2 2 329.448 0.204 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046080683 766917830 /nfs/dbraw/zinc/91/78/30/766917830.db2.gz JNEGNMULYQUNMY-GOSISDBHSA-N 2 2 343.475 0.595 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046080683 766917832 /nfs/dbraw/zinc/91/78/32/766917832.db2.gz JNEGNMULYQUNMY-GOSISDBHSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC001031742797 767006248 /nfs/dbraw/zinc/00/62/48/767006248.db2.gz RLYOJEVKTYSWGN-IRXDYDNUSA-N 2 2 346.475 0.141 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC001031742797 767006255 /nfs/dbraw/zinc/00/62/55/767006255.db2.gz RLYOJEVKTYSWGN-IRXDYDNUSA-N 2 2 346.475 0.141 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748091 768843472 /nfs/dbraw/zinc/84/34/72/768843472.db2.gz JFZWZYRUWADLIN-RBSFLKMASA-N 2 2 345.447 0.022 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748091 768843492 /nfs/dbraw/zinc/84/34/92/768843492.db2.gz JFZWZYRUWADLIN-RBSFLKMASA-N 2 2 345.447 0.022 20 30 ECEDLP C#CCCCC(=O)NCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001055567672 769133075 /nfs/dbraw/zinc/13/30/75/769133075.db2.gz KSRPXDNQCVEFJY-UHFFFAOYSA-N 2 2 345.447 0.383 20 30 ECEDLP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001055630177 769300332 /nfs/dbraw/zinc/30/03/32/769300332.db2.gz VXEDZNZRTGZYAW-ZDUSSCGKSA-N 2 2 346.435 0.199 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)n2C)C1 ZINC001018985875 770483874 /nfs/dbraw/zinc/48/38/74/770483874.db2.gz KAUWLWDWZWWCFP-GJZGRUSLSA-N 2 2 344.463 0.166 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)n2C)C1 ZINC001018985875 770483880 /nfs/dbraw/zinc/48/38/80/770483880.db2.gz KAUWLWDWZWWCFP-GJZGRUSLSA-N 2 2 344.463 0.166 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(CCC)no2)C1 ZINC001018985876 770484206 /nfs/dbraw/zinc/48/42/06/770484206.db2.gz KAWWHWVKHWGSQD-GJZGRUSLSA-N 2 2 345.447 0.810 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(CCC)no2)C1 ZINC001018985876 770484211 /nfs/dbraw/zinc/48/42/11/770484211.db2.gz KAWWHWVKHWGSQD-GJZGRUSLSA-N 2 2 345.447 0.810 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106876983 770519385 /nfs/dbraw/zinc/51/93/85/770519385.db2.gz HVCXGQFSHBQSDK-QLFBSQMISA-N 2 2 347.463 0.337 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCc3ccnn3C)C2)CC1 ZINC001031435027 771069062 /nfs/dbraw/zinc/06/90/62/771069062.db2.gz NLRWCGFHNKGCOY-UHFFFAOYSA-N 2 2 329.448 0.108 20 30 ECEDLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001019800863 771815341 /nfs/dbraw/zinc/81/53/41/771815341.db2.gz YKFOXBSPLFNKPR-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001019800863 771815342 /nfs/dbraw/zinc/81/53/42/771815342.db2.gz YKFOXBSPLFNKPR-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001020045921 772107274 /nfs/dbraw/zinc/10/72/74/772107274.db2.gz PKMSFTVBFFMWGP-SRVKXCTJSA-N 2 2 332.242 0.462 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001020045921 772107276 /nfs/dbraw/zinc/10/72/76/772107276.db2.gz PKMSFTVBFFMWGP-SRVKXCTJSA-N 2 2 332.242 0.462 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001045073818 774936934 /nfs/dbraw/zinc/93/69/34/774936934.db2.gz QPYQOGKIYUPNKU-ROUUACIJSA-N 2 2 343.475 0.907 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001045073818 774936937 /nfs/dbraw/zinc/93/69/37/774936937.db2.gz QPYQOGKIYUPNKU-ROUUACIJSA-N 2 2 343.475 0.907 20 30 ECEDLP CC#CC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079275674 780952310 /nfs/dbraw/zinc/95/23/10/780952310.db2.gz QZHABLALWSSCIG-DLBZAZTESA-N 2 2 342.443 0.846 20 30 ECEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079525829 781220659 /nfs/dbraw/zinc/22/06/59/781220659.db2.gz DZESGQJKOPMPRP-OLMNPRSZSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079525829 781220662 /nfs/dbraw/zinc/22/06/62/781220662.db2.gz DZESGQJKOPMPRP-OLMNPRSZSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079525829 781220667 /nfs/dbraw/zinc/22/06/67/781220667.db2.gz DZESGQJKOPMPRP-OLMNPRSZSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079525829 781220669 /nfs/dbraw/zinc/22/06/69/781220669.db2.gz DZESGQJKOPMPRP-OLMNPRSZSA-N 2 2 342.443 0.825 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001071011802 784408447 /nfs/dbraw/zinc/40/84/47/784408447.db2.gz UNZUSKITHPWZCP-UHFFFAOYSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001071011802 784408455 /nfs/dbraw/zinc/40/84/55/784408455.db2.gz UNZUSKITHPWZCP-UHFFFAOYSA-N 2 2 348.491 0.392 20 30 ECEDLP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001071015793 784423754 /nfs/dbraw/zinc/42/37/54/784423754.db2.gz UHKBZZQVRHSGTM-UHFFFAOYSA-N 2 2 347.463 0.914 20 30 ECEDLP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001071015793 784423758 /nfs/dbraw/zinc/42/37/58/784423758.db2.gz UHKBZZQVRHSGTM-UHFFFAOYSA-N 2 2 347.463 0.914 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1NCC#N ZINC001070660693 784515748 /nfs/dbraw/zinc/51/57/48/784515748.db2.gz NNCDOFGWZVYGOI-RBSFLKMASA-N 2 2 330.436 0.312 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1NCC#N ZINC001070660693 784515750 /nfs/dbraw/zinc/51/57/50/784515750.db2.gz NNCDOFGWZVYGOI-RBSFLKMASA-N 2 2 330.436 0.312 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001073667766 786918562 /nfs/dbraw/zinc/91/85/62/786918562.db2.gz OADXHTMQNQRKNW-HNNXBMFYSA-N 2 2 334.420 0.580 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001073667766 786918567 /nfs/dbraw/zinc/91/85/67/786918567.db2.gz OADXHTMQNQRKNW-HNNXBMFYSA-N 2 2 334.420 0.580 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001075397038 789324022 /nfs/dbraw/zinc/32/40/22/789324022.db2.gz GTUAWRLJONERLD-SJORKVTESA-N 2 2 330.432 0.892 20 30 ECEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945332 790223338 /nfs/dbraw/zinc/22/33/38/790223338.db2.gz JNWYZERVIXUEOV-BBWFWOEESA-N 2 2 344.463 0.231 20 30 ECEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945332 790223340 /nfs/dbraw/zinc/22/33/40/790223340.db2.gz JNWYZERVIXUEOV-BBWFWOEESA-N 2 2 344.463 0.231 20 30 ECEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945332 790223343 /nfs/dbraw/zinc/22/33/43/790223343.db2.gz JNWYZERVIXUEOV-BBWFWOEESA-N 2 2 344.463 0.231 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945332 790223348 /nfs/dbraw/zinc/22/33/48/790223348.db2.gz JNWYZERVIXUEOV-BBWFWOEESA-N 2 2 344.463 0.231 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267566799 837786058 /nfs/dbraw/zinc/78/60/58/837786058.db2.gz HMCRHABTRSWYGE-GJZGRUSLSA-N 2 2 345.447 0.227 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267566799 837786065 /nfs/dbraw/zinc/78/60/65/837786065.db2.gz HMCRHABTRSWYGE-GJZGRUSLSA-N 2 2 345.447 0.227 20 30 ECEDLP C[NH+](C)[C@H](C(=O)NCCC[NH+]1CCN(CC#N)CC1)c1ccccc1 ZINC001266277454 835603206 /nfs/dbraw/zinc/60/32/06/835603206.db2.gz ATXHBQOHQHGQMZ-SFHVURJKSA-N 2 2 343.475 0.937 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001266342027 835727935 /nfs/dbraw/zinc/72/79/35/835727935.db2.gz OHJLZWUDBQWSQN-IAGOWNOFSA-N 2 2 348.491 0.719 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001266342027 835727943 /nfs/dbraw/zinc/72/79/43/835727943.db2.gz OHJLZWUDBQWSQN-IAGOWNOFSA-N 2 2 348.491 0.719 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001266342027 835727951 /nfs/dbraw/zinc/72/79/51/835727951.db2.gz OHJLZWUDBQWSQN-IAGOWNOFSA-N 2 2 348.491 0.719 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001266342027 835727957 /nfs/dbraw/zinc/72/79/57/835727957.db2.gz OHJLZWUDBQWSQN-IAGOWNOFSA-N 2 2 348.491 0.719 20 30 ECEDLP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001266415491 835820988 /nfs/dbraw/zinc/82/09/88/835820988.db2.gz VXGFMSWZWSGESI-CVEARBPZSA-N 2 2 330.432 0.580 20 30 ECEDLP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266469275 835871457 /nfs/dbraw/zinc/87/14/57/835871457.db2.gz IPSRCJAVMMNPCZ-CQSZACIVSA-N 2 2 333.436 0.425 20 30 ECEDLP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266469275 835871465 /nfs/dbraw/zinc/87/14/65/835871465.db2.gz IPSRCJAVMMNPCZ-CQSZACIVSA-N 2 2 333.436 0.425 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266486766 835887042 /nfs/dbraw/zinc/88/70/42/835887042.db2.gz UEUVHTMGDWUVJF-BPKGMFCQSA-N 2 2 348.491 0.693 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266486766 835887049 /nfs/dbraw/zinc/88/70/49/835887049.db2.gz UEUVHTMGDWUVJF-BPKGMFCQSA-N 2 2 348.491 0.693 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266486766 835887053 /nfs/dbraw/zinc/88/70/53/835887053.db2.gz UEUVHTMGDWUVJF-BPKGMFCQSA-N 2 2 348.491 0.693 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266486766 835887060 /nfs/dbraw/zinc/88/70/60/835887060.db2.gz UEUVHTMGDWUVJF-BPKGMFCQSA-N 2 2 348.491 0.693 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266601872 836034837 /nfs/dbraw/zinc/03/48/37/836034837.db2.gz OOKWBOVUGNEKST-LXTVHRRPSA-N 2 2 345.447 0.373 20 30 ECEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001267195918 836963382 /nfs/dbraw/zinc/96/33/82/836963382.db2.gz SVIVFKLGUCTJLR-MRXNPFEDSA-N 2 2 348.491 0.438 20 30 ECEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001267195918 836963391 /nfs/dbraw/zinc/96/33/91/836963391.db2.gz SVIVFKLGUCTJLR-MRXNPFEDSA-N 2 2 348.491 0.438 20 30 ECEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001267195918 836963396 /nfs/dbraw/zinc/96/33/96/836963396.db2.gz SVIVFKLGUCTJLR-MRXNPFEDSA-N 2 2 348.491 0.438 20 30 ECEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001267195918 836963407 /nfs/dbraw/zinc/96/34/07/836963407.db2.gz SVIVFKLGUCTJLR-MRXNPFEDSA-N 2 2 348.491 0.438 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001267280739 837129113 /nfs/dbraw/zinc/12/91/13/837129113.db2.gz GGVLMUQDZKQEME-GOEBONIOSA-N 2 2 345.447 0.071 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001267280739 837129116 /nfs/dbraw/zinc/12/91/16/837129116.db2.gz GGVLMUQDZKQEME-GOEBONIOSA-N 2 2 345.447 0.071 20 30 ECEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267613204 837983571 /nfs/dbraw/zinc/98/35/71/837983571.db2.gz ATBBBIDMYQUYNY-MRXNPFEDSA-N 2 2 347.463 0.289 20 30 ECEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267613204 837983576 /nfs/dbraw/zinc/98/35/76/837983576.db2.gz ATBBBIDMYQUYNY-MRXNPFEDSA-N 2 2 347.463 0.289 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC(C)C)C2)CC1 ZINC001267634519 838102924 /nfs/dbraw/zinc/10/29/24/838102924.db2.gz CHZOPJMNEJFJRT-KRWDZBQOSA-N 2 2 348.491 0.437 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC(C)C)C2)CC1 ZINC001267634519 838102928 /nfs/dbraw/zinc/10/29/28/838102928.db2.gz CHZOPJMNEJFJRT-KRWDZBQOSA-N 2 2 348.491 0.437 20 30 ECEDLP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001267691232 838261793 /nfs/dbraw/zinc/26/17/93/838261793.db2.gz WCGHXFNZXAWWRD-HOTGVXAUSA-N 2 2 347.463 0.917 20 30 ECEDLP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001267691232 838261799 /nfs/dbraw/zinc/26/17/99/838261799.db2.gz WCGHXFNZXAWWRD-HOTGVXAUSA-N 2 2 347.463 0.917 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCO[C@H]2CCOC2)C1 ZINC001267744139 838447201 /nfs/dbraw/zinc/44/72/01/838447201.db2.gz FRKGEHKTJIAEPK-SQNIBIBYSA-N 2 2 349.475 0.470 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO[C@H]2CCOC2)C1 ZINC001267744139 838447204 /nfs/dbraw/zinc/44/72/04/838447204.db2.gz FRKGEHKTJIAEPK-SQNIBIBYSA-N 2 2 349.475 0.470 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO[C@H]2CCOC2)C1 ZINC001267744139 838447212 /nfs/dbraw/zinc/44/72/12/838447212.db2.gz FRKGEHKTJIAEPK-SQNIBIBYSA-N 2 2 349.475 0.470 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO[C@H]2CCOC2)C1 ZINC001267744139 838447217 /nfs/dbraw/zinc/44/72/17/838447217.db2.gz FRKGEHKTJIAEPK-SQNIBIBYSA-N 2 2 349.475 0.470 20 30 ECEDLP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267767680 838505954 /nfs/dbraw/zinc/50/59/54/838505954.db2.gz QDLIWUSIGUUATI-LSDHHAIUSA-N 2 2 335.452 0.033 20 30 ECEDLP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267767680 838505959 /nfs/dbraw/zinc/50/59/59/838505959.db2.gz QDLIWUSIGUUATI-LSDHHAIUSA-N 2 2 335.452 0.033 20 30 ECEDLP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267767680 838505966 /nfs/dbraw/zinc/50/59/66/838505966.db2.gz QDLIWUSIGUUATI-LSDHHAIUSA-N 2 2 335.452 0.033 20 30 ECEDLP CN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267767680 838505972 /nfs/dbraw/zinc/50/59/72/838505972.db2.gz QDLIWUSIGUUATI-LSDHHAIUSA-N 2 2 335.452 0.033 20 30 ECEDLP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267767679 838506192 /nfs/dbraw/zinc/50/61/92/838506192.db2.gz QDLIWUSIGUUATI-HUUCEWRRSA-N 2 2 335.452 0.033 20 30 ECEDLP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267767679 838506194 /nfs/dbraw/zinc/50/61/94/838506194.db2.gz QDLIWUSIGUUATI-HUUCEWRRSA-N 2 2 335.452 0.033 20 30 ECEDLP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267767679 838506202 /nfs/dbraw/zinc/50/62/02/838506202.db2.gz QDLIWUSIGUUATI-HUUCEWRRSA-N 2 2 335.452 0.033 20 30 ECEDLP CN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267767679 838506209 /nfs/dbraw/zinc/50/62/09/838506209.db2.gz QDLIWUSIGUUATI-HUUCEWRRSA-N 2 2 335.452 0.033 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C1 ZINC000373811925 266153558 /nfs/dbraw/zinc/15/35/58/266153558.db2.gz JPZTWORZUNMPRR-GOSISDBHSA-N 2 2 331.464 0.735 20 30 ECEDLP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C1 ZINC000373811925 266153562 /nfs/dbraw/zinc/15/35/62/266153562.db2.gz JPZTWORZUNMPRR-GOSISDBHSA-N 2 2 331.464 0.735 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111231019 436630073 /nfs/dbraw/zinc/63/00/73/436630073.db2.gz IKEXLUHOKIPQBA-KRWDZBQOSA-N 2 2 335.496 0.850 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231019 436630075 /nfs/dbraw/zinc/63/00/75/436630075.db2.gz IKEXLUHOKIPQBA-KRWDZBQOSA-N 2 2 335.496 0.850 20 30 ECEDLP CCN(C)C(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000273579845 436767660 /nfs/dbraw/zinc/76/76/60/436767660.db2.gz OFBUJNKQNMPBLL-UHFFFAOYSA-N 2 2 348.447 0.759 20 30 ECEDLP C=CCN1CC[C@H]([NH+](C)CCC[N@@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281480425 436973849 /nfs/dbraw/zinc/97/38/49/436973849.db2.gz WNNLCPZHRYHIHQ-IRXDYDNUSA-N 2 2 348.491 0.814 20 30 ECEDLP C=CCN1CC[C@H]([NH+](C)CCC[N@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281480425 436973851 /nfs/dbraw/zinc/97/38/51/436973851.db2.gz WNNLCPZHRYHIHQ-IRXDYDNUSA-N 2 2 348.491 0.814 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC[C@@](C)(O)c1ccsc1 ZINC000262452018 436933342 /nfs/dbraw/zinc/93/33/42/436933342.db2.gz UUDAUDUOQMMBNN-UKRRQHHQSA-N 2 2 326.466 0.451 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC[C@@](C)(O)c1ccsc1 ZINC000262452018 436933346 /nfs/dbraw/zinc/93/33/46/436933346.db2.gz UUDAUDUOQMMBNN-UKRRQHHQSA-N 2 2 326.466 0.451 20 30 ECEDLP C[NH+]=C(NCCCCNc1cccc[nH+]1)NCCN1CCOCC1 ZINC000264973859 437102030 /nfs/dbraw/zinc/10/20/30/437102030.db2.gz GVNYQPUAADTSPV-UHFFFAOYSA-N 2 2 334.468 0.771 20 30 ECEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328866910 437273972 /nfs/dbraw/zinc/27/39/72/437273972.db2.gz OAVHBGAZXADKAD-CABCVRRESA-N 2 2 334.468 0.759 20 30 ECEDLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC[NH+]3CCOC(C)(C)C3)C[C@H]21 ZINC000328877566 437277037 /nfs/dbraw/zinc/27/70/37/437277037.db2.gz KPJUOLUUDWXZDO-HUUCEWRRSA-N 2 2 340.468 0.416 20 30 ECEDLP C[NH+]1CCO[C@@H]2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)C[C@H]21 ZINC000328877566 437277041 /nfs/dbraw/zinc/27/70/41/437277041.db2.gz KPJUOLUUDWXZDO-HUUCEWRRSA-N 2 2 340.468 0.416 20 30 ECEDLP C[NH+]1CCO[C@@H]2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)C[C@H]21 ZINC000328877566 437277044 /nfs/dbraw/zinc/27/70/44/437277044.db2.gz KPJUOLUUDWXZDO-HUUCEWRRSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371306198 437916763 /nfs/dbraw/zinc/91/67/63/437916763.db2.gz SJVLMUYIWDOZOU-DOTOQJQBSA-N 2 2 335.496 0.847 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371306198 437916767 /nfs/dbraw/zinc/91/67/67/437916767.db2.gz SJVLMUYIWDOZOU-DOTOQJQBSA-N 2 2 335.496 0.847 20 30 ECEDLP C[C@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c[nH+]2)CCO1 ZINC000424141945 437894892 /nfs/dbraw/zinc/89/48/92/437894892.db2.gz XXHWQHGESSCURD-ZFWWWQNUSA-N 2 2 331.420 0.944 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000366485931 438085359 /nfs/dbraw/zinc/08/53/59/438085359.db2.gz XAYTTWYTFRCEJA-HKUYNNGSSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000366485931 438085362 /nfs/dbraw/zinc/08/53/62/438085362.db2.gz XAYTTWYTFRCEJA-HKUYNNGSSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366485931 438085367 /nfs/dbraw/zinc/08/53/67/438085367.db2.gz XAYTTWYTFRCEJA-HKUYNNGSSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366485931 438085371 /nfs/dbraw/zinc/08/53/71/438085371.db2.gz XAYTTWYTFRCEJA-HKUYNNGSSA-N 2 2 347.507 0.706 20 30 ECEDLP C=CCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000357962497 438108971 /nfs/dbraw/zinc/10/89/71/438108971.db2.gz YZTSTFLXFYDPJF-UHFFFAOYSA-N 2 2 336.480 0.649 20 30 ECEDLP N#Cc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1F ZINC000421345200 438484117 /nfs/dbraw/zinc/48/41/17/438484117.db2.gz QZPXGTQNNKAWGO-INIZCTEOSA-N 2 2 346.406 0.720 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906765 438885189 /nfs/dbraw/zinc/88/51/89/438885189.db2.gz NIVUZZQWYNPEMS-UONOGXRCSA-N 2 2 326.441 0.429 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906765 438885194 /nfs/dbraw/zinc/88/51/94/438885194.db2.gz NIVUZZQWYNPEMS-UONOGXRCSA-N 2 2 326.441 0.429 20 30 ECEDLP C[NH+](C)CC(=O)Nc1ccc(NC[C@@H](O)C[N@H+](C)CCC#N)cc1 ZINC000566125622 439009580 /nfs/dbraw/zinc/00/95/80/439009580.db2.gz PDQSSMFVEHVWCB-MRXNPFEDSA-N 2 2 333.436 0.805 20 30 ECEDLP C[NH+](C)CC(=O)Nc1ccc(NC[C@@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000566125622 439009585 /nfs/dbraw/zinc/00/95/85/439009585.db2.gz PDQSSMFVEHVWCB-MRXNPFEDSA-N 2 2 333.436 0.805 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000490759915 439296076 /nfs/dbraw/zinc/29/60/76/439296076.db2.gz HYXPSEHFZQSAHB-UHFFFAOYSA-N 2 2 332.492 0.714 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000490759915 439296079 /nfs/dbraw/zinc/29/60/79/439296079.db2.gz HYXPSEHFZQSAHB-UHFFFAOYSA-N 2 2 332.492 0.714 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)NCCC)CC2)CC1 ZINC000490852066 439303025 /nfs/dbraw/zinc/30/30/25/439303025.db2.gz KUYMUUOVYBQTRJ-UHFFFAOYSA-N 2 2 334.464 0.002 20 30 ECEDLP C#C[C@H]1COCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000491295978 439362992 /nfs/dbraw/zinc/36/29/92/439362992.db2.gz KGMKAHSZVBYYQE-INIZCTEOSA-N 2 2 334.464 0.589 20 30 ECEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000491698383 439430821 /nfs/dbraw/zinc/43/08/21/439430821.db2.gz CHXLUWTZAYILCW-QZTJIDSGSA-N 2 2 329.444 0.599 20 30 ECEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000491698383 439430824 /nfs/dbraw/zinc/43/08/24/439430824.db2.gz CHXLUWTZAYILCW-QZTJIDSGSA-N 2 2 329.444 0.599 20 30 ECEDLP C#CCNC(=O)CC[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000491730080 439437181 /nfs/dbraw/zinc/43/71/81/439437181.db2.gz DJRYUJSORGRWBK-UHFFFAOYSA-N 2 2 345.443 0.627 20 30 ECEDLP C[NH+](C)CCN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1=O ZINC000593655710 439438341 /nfs/dbraw/zinc/43/83/41/439438341.db2.gz YSHMVKSMAWBPKU-UHFFFAOYSA-N 2 2 326.404 0.412 20 30 ECEDLP N#CCCCC[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000594438313 439559192 /nfs/dbraw/zinc/55/91/92/439559192.db2.gz NYVHRTITMFBJDA-HNNXBMFYSA-N 2 2 334.424 0.565 20 30 ECEDLP CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000594803963 439616174 /nfs/dbraw/zinc/61/61/74/439616174.db2.gz SBZSNDUMIJLKPF-CABCVRRESA-N 2 2 347.529 0.574 20 30 ECEDLP CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000594803963 439616176 /nfs/dbraw/zinc/61/61/76/439616176.db2.gz SBZSNDUMIJLKPF-CABCVRRESA-N 2 2 347.529 0.574 20 30 ECEDLP C=CCCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC000655938391 440651605 /nfs/dbraw/zinc/65/16/05/440651605.db2.gz UYSVHJKAHGGRKY-DOTOQJQBSA-N 2 2 346.479 0.934 20 30 ECEDLP C=CCCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC000655938391 440651608 /nfs/dbraw/zinc/65/16/08/440651608.db2.gz UYSVHJKAHGGRKY-DOTOQJQBSA-N 2 2 346.479 0.934 20 30 ECEDLP C#CCOCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000784541358 578753930 /nfs/dbraw/zinc/75/39/30/578753930.db2.gz UYLVHQNQHCJQQO-UHFFFAOYSA-N 2 2 336.480 0.886 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)CC1 ZINC000773697345 579232243 /nfs/dbraw/zinc/23/22/43/579232243.db2.gz VMIJCBBUDZXOAA-ROUUACIJSA-N 2 2 333.476 0.902 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)CC1 ZINC000773697345 579232244 /nfs/dbraw/zinc/23/22/44/579232244.db2.gz VMIJCBBUDZXOAA-ROUUACIJSA-N 2 2 333.476 0.902 20 30 ECEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000844194067 589101799 /nfs/dbraw/zinc/10/17/99/589101799.db2.gz WADCEQHMOIWZDM-HYVNUMGLSA-N 3 2 338.415 0.029 20 30 ECEDLP C#CC[C@H](CCOC)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000858238634 589734347 /nfs/dbraw/zinc/73/43/47/589734347.db2.gz KVWUWSSSPASKCF-HZPDHXFCSA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[C@H](CCOC)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000858238634 589734351 /nfs/dbraw/zinc/73/43/51/589734351.db2.gz KVWUWSSSPASKCF-HZPDHXFCSA-N 2 2 336.480 0.883 20 30 ECEDLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)n1C ZINC000876762163 590411909 /nfs/dbraw/zinc/41/19/09/590411909.db2.gz AQHBJXYIJMKYLP-INIZCTEOSA-N 2 2 338.415 0.861 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000884201350 590771325 /nfs/dbraw/zinc/77/13/25/590771325.db2.gz WDDWQYWGGRTIGN-BARDWOONSA-N 2 2 325.453 0.916 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000884201350 590771328 /nfs/dbraw/zinc/77/13/28/590771328.db2.gz WDDWQYWGGRTIGN-BARDWOONSA-N 2 2 325.453 0.916 20 30 ECEDLP N#CC1(C[C@H](O)C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CCC1 ZINC000886081147 590792445 /nfs/dbraw/zinc/79/24/45/590792445.db2.gz JJPNHCADJORAQE-HOTGVXAUSA-N 2 2 334.464 0.845 20 30 ECEDLP N#CC1(C[C@H](O)C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CCC1 ZINC000886081147 590792446 /nfs/dbraw/zinc/79/24/46/590792446.db2.gz JJPNHCADJORAQE-HOTGVXAUSA-N 2 2 334.464 0.845 20 30 ECEDLP C=CCC1(O)CC[NH+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000884478701 590839366 /nfs/dbraw/zinc/83/93/66/590839366.db2.gz IWNRFHMXBDYGIV-UHFFFAOYSA-N 2 2 336.436 0.363 20 30 ECEDLP C#CCC1([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCOCC1 ZINC000887124719 590945791 /nfs/dbraw/zinc/94/57/91/590945791.db2.gz QCMKSUJLVRUOEN-UHFFFAOYSA-N 2 2 337.464 0.376 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603696 610403227 /nfs/dbraw/zinc/40/32/27/610403227.db2.gz MJKUVHMNAXSDOV-IEBWSBKVSA-N 2 2 344.503 0.855 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941603696 610403230 /nfs/dbraw/zinc/40/32/30/610403230.db2.gz MJKUVHMNAXSDOV-IEBWSBKVSA-N 2 2 344.503 0.855 20 30 ECEDLP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394840 611962988 /nfs/dbraw/zinc/96/29/88/611962988.db2.gz GOTUNMQJJRCGLE-HZPDHXFCSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394840 611962990 /nfs/dbraw/zinc/96/29/90/611962990.db2.gz GOTUNMQJJRCGLE-HZPDHXFCSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394840 611962992 /nfs/dbraw/zinc/96/29/92/611962992.db2.gz GOTUNMQJJRCGLE-HZPDHXFCSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394840 611962994 /nfs/dbraw/zinc/96/29/94/611962994.db2.gz GOTUNMQJJRCGLE-HZPDHXFCSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000949529447 612022722 /nfs/dbraw/zinc/02/27/22/612022722.db2.gz UGZXMQZHGUGWMH-MRXNPFEDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000949529447 612022724 /nfs/dbraw/zinc/02/27/24/612022724.db2.gz UGZXMQZHGUGWMH-MRXNPFEDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC000949529447 612022725 /nfs/dbraw/zinc/02/27/25/612022725.db2.gz UGZXMQZHGUGWMH-MRXNPFEDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC000949529447 612022726 /nfs/dbraw/zinc/02/27/26/612022726.db2.gz UGZXMQZHGUGWMH-MRXNPFEDSA-N 2 2 337.464 0.587 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000954630753 612468097 /nfs/dbraw/zinc/46/80/97/612468097.db2.gz IMJXNNGSOOVIPT-INIZCTEOSA-N 2 2 343.431 0.040 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCn2cc[nH+]c2)C1 ZINC000954630753 612468103 /nfs/dbraw/zinc/46/81/03/612468103.db2.gz IMJXNNGSOOVIPT-INIZCTEOSA-N 2 2 343.431 0.040 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)C1=O ZINC000970609048 733736481 /nfs/dbraw/zinc/73/64/81/733736481.db2.gz ASZZUTPJYAFBLZ-GDBMZVCRSA-N 2 2 345.447 0.330 20 30 ECEDLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000970766749 733924318 /nfs/dbraw/zinc/92/43/18/733924318.db2.gz YKFOXBSPLFNKPR-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000970766749 733924322 /nfs/dbraw/zinc/92/43/22/733924322.db2.gz YKFOXBSPLFNKPR-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3csnn3)C2)CC1 ZINC000970792559 733943793 /nfs/dbraw/zinc/94/37/93/733943793.db2.gz OHZWHRMECDBHET-CQSZACIVSA-N 2 2 333.461 0.574 20 30 ECEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971272701 734415369 /nfs/dbraw/zinc/41/53/69/734415369.db2.gz YOEOLNJANZUDAI-QZTJIDSGSA-N 2 2 342.443 0.922 20 30 ECEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971272701 734415372 /nfs/dbraw/zinc/41/53/72/734415372.db2.gz YOEOLNJANZUDAI-QZTJIDSGSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971272701 734415374 /nfs/dbraw/zinc/41/53/74/734415374.db2.gz YOEOLNJANZUDAI-QZTJIDSGSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971272701 734415377 /nfs/dbraw/zinc/41/53/77/734415377.db2.gz YOEOLNJANZUDAI-QZTJIDSGSA-N 2 2 342.443 0.922 20 30 ECEDLP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001078178905 782438080 /nfs/dbraw/zinc/43/80/80/782438080.db2.gz JFYILWSQCPIFEN-IAGOWNOFSA-N 2 2 328.416 0.315 20 30 ECEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1 ZINC001078178905 782438088 /nfs/dbraw/zinc/43/80/88/782438088.db2.gz JFYILWSQCPIFEN-IAGOWNOFSA-N 2 2 328.416 0.315 20 30 ECEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078183563 782448035 /nfs/dbraw/zinc/44/80/35/782448035.db2.gz YEAVNIZLFMJVLB-IAGOWNOFSA-N 2 2 339.399 0.425 20 30 ECEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001078183563 782448037 /nfs/dbraw/zinc/44/80/37/782448037.db2.gz YEAVNIZLFMJVLB-IAGOWNOFSA-N 2 2 339.399 0.425 20 30 ECEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000972409064 736141427 /nfs/dbraw/zinc/14/14/27/736141427.db2.gz NXIUHXDCLZDIBI-SJLPKXTDSA-N 2 2 347.463 0.303 20 30 ECEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000972409064 736141428 /nfs/dbraw/zinc/14/14/28/736141428.db2.gz NXIUHXDCLZDIBI-SJLPKXTDSA-N 2 2 347.463 0.303 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC001023423641 736806101 /nfs/dbraw/zinc/80/61/01/736806101.db2.gz BNIIBIRXFNDJSN-WMZOPIPTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC001023423641 736806104 /nfs/dbraw/zinc/80/61/04/736806104.db2.gz BNIIBIRXFNDJSN-WMZOPIPTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2cncn2C)C1 ZINC001023423641 736806108 /nfs/dbraw/zinc/80/61/08/736806108.db2.gz BNIIBIRXFNDJSN-WMZOPIPTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972599462 737056632 /nfs/dbraw/zinc/05/66/32/737056632.db2.gz QOKOGGPNUGZECP-GOSISDBHSA-N 2 2 335.448 0.035 20 30 ECEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972599462 737056635 /nfs/dbraw/zinc/05/66/35/737056635.db2.gz QOKOGGPNUGZECP-GOSISDBHSA-N 2 2 335.448 0.035 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3[nH]cc[nH+]3)C2)nn1 ZINC001105224163 741502876 /nfs/dbraw/zinc/50/28/76/741502876.db2.gz ZXLFXDLTDSQDQM-UHFFFAOYSA-N 2 2 329.408 0.683 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)nn1 ZINC001105240565 741533427 /nfs/dbraw/zinc/53/34/27/741533427.db2.gz RRMJEKRHZWCBJD-ZBFHGGJFSA-N 2 2 342.447 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240565 741533429 /nfs/dbraw/zinc/53/34/29/741533429.db2.gz RRMJEKRHZWCBJD-ZBFHGGJFSA-N 2 2 342.447 0.259 20 30 ECEDLP C=CCC[NH2+]Cc1cn(C2CN(C(=O)CCc3[nH+]ccn3C)C2)nn1 ZINC001105289017 741649484 /nfs/dbraw/zinc/64/94/84/741649484.db2.gz ZQNAQBAHCVVWDK-UHFFFAOYSA-N 2 2 343.435 0.693 20 30 ECEDLP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000996831646 742928880 /nfs/dbraw/zinc/92/88/80/742928880.db2.gz TWXNQCGPBCFOKH-SJORKVTESA-N 2 2 335.448 0.080 20 30 ECEDLP CC[NH+]=C(NC[C@H]1CCC[N@@H+]1CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261990142 743307367 /nfs/dbraw/zinc/30/73/67/743307367.db2.gz RDKBNXABZCKIQM-CQSZACIVSA-N 2 2 344.525 0.945 20 30 ECEDLP CC[NH+]=C(NC[C@H]1CCC[N@H+]1CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261990142 743307374 /nfs/dbraw/zinc/30/73/74/743307374.db2.gz RDKBNXABZCKIQM-CQSZACIVSA-N 2 2 344.525 0.945 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cnsn3)C2)CC1 ZINC000999870077 744971811 /nfs/dbraw/zinc/97/18/11/744971811.db2.gz KTYVHCRIGRUNFS-UHFFFAOYSA-N 2 2 347.488 0.962 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001000312721 745421466 /nfs/dbraw/zinc/42/14/66/745421466.db2.gz PEKJITMBJUNDMQ-UKRRQHHQSA-N 2 2 331.420 0.320 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC001000788747 745765143 /nfs/dbraw/zinc/76/51/43/745765143.db2.gz ZJNJXFFKBPYBGG-DLBZAZTESA-N 2 2 344.459 0.063 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCN(C)C2=O)CC1 ZINC001000788747 745765147 /nfs/dbraw/zinc/76/51/47/745765147.db2.gz ZJNJXFFKBPYBGG-DLBZAZTESA-N 2 2 344.459 0.063 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001000788747 745765152 /nfs/dbraw/zinc/76/51/52/745765152.db2.gz ZJNJXFFKBPYBGG-DLBZAZTESA-N 2 2 344.459 0.063 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001000788747 745765156 /nfs/dbraw/zinc/76/51/56/745765156.db2.gz ZJNJXFFKBPYBGG-DLBZAZTESA-N 2 2 344.459 0.063 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001001052915 746019485 /nfs/dbraw/zinc/01/94/85/746019485.db2.gz QICAVUCHRBEDTO-LSDHHAIUSA-N 2 2 331.420 0.251 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2nccnc2C)CC1 ZINC001003056277 748125671 /nfs/dbraw/zinc/12/56/71/748125671.db2.gz OCXKUSOFIGFANZ-SFHVURJKSA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2nccnc2C)CC1 ZINC001003056277 748125674 /nfs/dbraw/zinc/12/56/74/748125674.db2.gz OCXKUSOFIGFANZ-SFHVURJKSA-N 2 2 341.459 0.963 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC000980834087 750238094 /nfs/dbraw/zinc/23/80/94/750238094.db2.gz NNIDSGZNWFFCJN-HZPDHXFCSA-N 2 2 334.464 0.402 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000980834087 750238098 /nfs/dbraw/zinc/23/80/98/750238098.db2.gz NNIDSGZNWFFCJN-HZPDHXFCSA-N 2 2 334.464 0.402 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1=O ZINC000980834087 750238101 /nfs/dbraw/zinc/23/81/01/750238101.db2.gz NNIDSGZNWFFCJN-HZPDHXFCSA-N 2 2 334.464 0.402 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1=O ZINC000980834087 750238106 /nfs/dbraw/zinc/23/81/06/750238106.db2.gz NNIDSGZNWFFCJN-HZPDHXFCSA-N 2 2 334.464 0.402 20 30 ECEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001212070917 752471360 /nfs/dbraw/zinc/47/13/60/752471360.db2.gz CPHVSCDUOJTYKV-ZACQAIPSSA-N 2 2 339.480 0.879 20 30 ECEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001212070917 752471362 /nfs/dbraw/zinc/47/13/62/752471362.db2.gz CPHVSCDUOJTYKV-ZACQAIPSSA-N 2 2 339.480 0.879 20 30 ECEDLP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001212070917 752471366 /nfs/dbraw/zinc/47/13/66/752471366.db2.gz CPHVSCDUOJTYKV-ZACQAIPSSA-N 2 2 339.480 0.879 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC001105372720 753681481 /nfs/dbraw/zinc/68/14/81/753681481.db2.gz ULAUONXQCXYDIF-UHFFFAOYSA-N 2 2 329.408 0.532 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nc(C)no3)C[C@H]2C)CC1 ZINC000989828792 754498767 /nfs/dbraw/zinc/49/87/67/754498767.db2.gz IUSCDZLDQIPTIX-CJNGLKHVSA-N 2 2 345.447 0.802 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436673 756135110 /nfs/dbraw/zinc/13/51/10/756135110.db2.gz RFJYUWKHCHEHIZ-IRXDYDNUSA-N 2 2 328.416 0.579 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436673 756135113 /nfs/dbraw/zinc/13/51/13/756135113.db2.gz RFJYUWKHCHEHIZ-IRXDYDNUSA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436673 756135115 /nfs/dbraw/zinc/13/51/15/756135115.db2.gz RFJYUWKHCHEHIZ-IRXDYDNUSA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436673 756135117 /nfs/dbraw/zinc/13/51/17/756135117.db2.gz RFJYUWKHCHEHIZ-IRXDYDNUSA-N 2 2 328.416 0.579 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ocnc2C)C1 ZINC001051660654 762620089 /nfs/dbraw/zinc/62/00/89/762620089.db2.gz ZIDYLFMANHFHST-HOTGVXAUSA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ocnc2C)C1 ZINC001051660654 762620091 /nfs/dbraw/zinc/62/00/91/762620091.db2.gz ZIDYLFMANHFHST-HOTGVXAUSA-N 2 2 346.431 0.398 20 30 ECEDLP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049222470 758370529 /nfs/dbraw/zinc/37/05/29/758370529.db2.gz IVDYRNUSTALRGA-ZNMIVQPWSA-N 2 2 327.856 0.850 20 30 ECEDLP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049222470 758370538 /nfs/dbraw/zinc/37/05/38/758370538.db2.gz IVDYRNUSTALRGA-ZNMIVQPWSA-N 2 2 327.856 0.850 20 30 ECEDLP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222470 758370542 /nfs/dbraw/zinc/37/05/42/758370542.db2.gz IVDYRNUSTALRGA-ZNMIVQPWSA-N 2 2 327.856 0.850 20 30 ECEDLP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222470 758370552 /nfs/dbraw/zinc/37/05/52/758370552.db2.gz IVDYRNUSTALRGA-ZNMIVQPWSA-N 2 2 327.856 0.850 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001077260832 758637955 /nfs/dbraw/zinc/63/79/55/758637955.db2.gz XUAQTWIYRBUNIX-IAOVAPTHSA-N 2 2 332.448 0.951 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001077260832 758637962 /nfs/dbraw/zinc/63/79/62/758637962.db2.gz XUAQTWIYRBUNIX-IAOVAPTHSA-N 2 2 332.448 0.951 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001077260832 758637968 /nfs/dbraw/zinc/63/79/68/758637968.db2.gz XUAQTWIYRBUNIX-IAOVAPTHSA-N 2 2 332.448 0.951 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001077260832 758637974 /nfs/dbraw/zinc/63/79/74/758637974.db2.gz XUAQTWIYRBUNIX-IAOVAPTHSA-N 2 2 332.448 0.951 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cnnn3CC)C2)CC1 ZINC001032205050 759610165 /nfs/dbraw/zinc/61/01/65/759610165.db2.gz NBJLLDCCLZOIBV-UHFFFAOYSA-N 2 2 344.463 0.191 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)CC1 ZINC001050761080 760797771 /nfs/dbraw/zinc/79/77/71/760797771.db2.gz FUQSHMMJWDQMDF-KRWDZBQOSA-N 2 2 331.460 0.655 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046994866 763532554 /nfs/dbraw/zinc/53/25/54/763532554.db2.gz HMFXIKPIYRIENT-GJZGRUSLSA-N 2 2 343.418 0.804 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994866 763532565 /nfs/dbraw/zinc/53/25/65/763532565.db2.gz HMFXIKPIYRIENT-GJZGRUSLSA-N 2 2 343.418 0.804 20 30 ECEDLP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046994866 763532569 /nfs/dbraw/zinc/53/25/69/763532569.db2.gz HMFXIKPIYRIENT-GJZGRUSLSA-N 2 2 343.418 0.804 20 30 ECEDLP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046994866 763532577 /nfs/dbraw/zinc/53/25/77/763532577.db2.gz HMFXIKPIYRIENT-GJZGRUSLSA-N 2 2 343.418 0.804 20 30 ECEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052118290 763932109 /nfs/dbraw/zinc/93/21/09/763932109.db2.gz BMJQKQIFEVEXAV-IAGOWNOFSA-N 2 2 333.480 0.603 20 30 ECEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052118290 763932114 /nfs/dbraw/zinc/93/21/14/763932114.db2.gz BMJQKQIFEVEXAV-IAGOWNOFSA-N 2 2 333.480 0.603 20 30 ECEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047322292 763991538 /nfs/dbraw/zinc/99/15/38/763991538.db2.gz NXFSCNNBJBALMN-BZSNNMDCSA-N 2 2 342.443 0.656 20 30 ECEDLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047322292 763991540 /nfs/dbraw/zinc/99/15/40/763991540.db2.gz NXFSCNNBJBALMN-BZSNNMDCSA-N 2 2 342.443 0.656 20 30 ECEDLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047322292 763991544 /nfs/dbraw/zinc/99/15/44/763991544.db2.gz NXFSCNNBJBALMN-BZSNNMDCSA-N 2 2 342.443 0.656 20 30 ECEDLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047322292 763991549 /nfs/dbraw/zinc/99/15/49/763991549.db2.gz NXFSCNNBJBALMN-BZSNNMDCSA-N 2 2 342.443 0.656 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](C[C@H](CC)OC)C[C@@H]1O ZINC001047415360 764274959 /nfs/dbraw/zinc/27/49/59/764274959.db2.gz VNWZFBFYGHMULW-QAETUUGQSA-N 2 2 337.464 0.013 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@H](CC)OC)C[C@@H]1O ZINC001047415360 764274964 /nfs/dbraw/zinc/27/49/64/764274964.db2.gz VNWZFBFYGHMULW-QAETUUGQSA-N 2 2 337.464 0.013 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@H](CC)OC)C[C@@H]1O ZINC001047415360 764274969 /nfs/dbraw/zinc/27/49/69/764274969.db2.gz VNWZFBFYGHMULW-QAETUUGQSA-N 2 2 337.464 0.013 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@H](CC)OC)C[C@@H]1O ZINC001047415360 764274980 /nfs/dbraw/zinc/27/49/80/764274980.db2.gz VNWZFBFYGHMULW-QAETUUGQSA-N 2 2 337.464 0.013 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001015296623 764324833 /nfs/dbraw/zinc/32/48/33/764324833.db2.gz XBZZARZFKVOBKQ-LSDHHAIUSA-N 2 2 331.420 0.169 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001015296623 764324843 /nfs/dbraw/zinc/32/48/43/764324843.db2.gz XBZZARZFKVOBKQ-LSDHHAIUSA-N 2 2 331.420 0.169 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047528382 764602547 /nfs/dbraw/zinc/60/25/47/764602547.db2.gz PYWMTYLCPKXKQO-PVAVHDDUSA-N 2 2 330.432 0.281 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047528382 764602552 /nfs/dbraw/zinc/60/25/52/764602552.db2.gz PYWMTYLCPKXKQO-PVAVHDDUSA-N 2 2 330.432 0.281 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)CCO2 ZINC001053347579 766010139 /nfs/dbraw/zinc/01/01/39/766010139.db2.gz LLQMGTPVQWNGCE-PQUAAJSLSA-N 2 2 347.459 0.339 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)CCO2 ZINC001053347579 766010145 /nfs/dbraw/zinc/01/01/45/766010145.db2.gz LLQMGTPVQWNGCE-PQUAAJSLSA-N 2 2 347.459 0.339 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC001046040217 766744938 /nfs/dbraw/zinc/74/49/38/766744938.db2.gz HCOXUHZLWKWIJQ-HNNXBMFYSA-N 2 2 347.463 0.754 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC001046040217 766744946 /nfs/dbraw/zinc/74/49/46/766744946.db2.gz HCOXUHZLWKWIJQ-HNNXBMFYSA-N 2 2 347.463 0.754 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC001046040227 766745477 /nfs/dbraw/zinc/74/54/77/766745477.db2.gz HHCAROBGSDWAIY-DLBZAZTESA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC001046040227 766745478 /nfs/dbraw/zinc/74/54/78/766745478.db2.gz HHCAROBGSDWAIY-DLBZAZTESA-N 2 2 343.475 0.850 20 30 ECEDLP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)[NH+]1CCCCCC1 ZINC001046068746 766864487 /nfs/dbraw/zinc/86/44/87/766864487.db2.gz SCNSNJPLVLXMRE-QZTJIDSGSA-N 2 2 347.507 0.993 20 30 ECEDLP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046077753 766909231 /nfs/dbraw/zinc/90/92/31/766909231.db2.gz YQWFSKWYHIFODE-INIZCTEOSA-N 2 2 331.464 0.757 20 30 ECEDLP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046077753 766909236 /nfs/dbraw/zinc/90/92/36/766909236.db2.gz YQWFSKWYHIFODE-INIZCTEOSA-N 2 2 331.464 0.757 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001046080282 766916827 /nfs/dbraw/zinc/91/68/27/766916827.db2.gz DZNVBLRSEIXNOX-MRXNPFEDSA-N 2 2 329.448 0.502 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001046080282 766916832 /nfs/dbraw/zinc/91/68/32/766916832.db2.gz DZNVBLRSEIXNOX-MRXNPFEDSA-N 2 2 329.448 0.502 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CO2 ZINC001053828692 766959574 /nfs/dbraw/zinc/95/95/74/766959574.db2.gz XTIKEUCXZSDVGD-DLBZAZTESA-N 2 2 333.476 0.947 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)CO2 ZINC001053828692 766959601 /nfs/dbraw/zinc/95/96/01/766959601.db2.gz XTIKEUCXZSDVGD-DLBZAZTESA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CCC3CC3)C2)C1 ZINC001053832644 766970747 /nfs/dbraw/zinc/97/07/47/766970747.db2.gz MRMTUHMIDJTYSV-IRXDYDNUSA-N 2 2 331.460 0.844 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CCC3CC3)C2)C1 ZINC001053832644 766970752 /nfs/dbraw/zinc/97/07/52/766970752.db2.gz MRMTUHMIDJTYSV-IRXDYDNUSA-N 2 2 331.460 0.844 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)noc2C)C1 ZINC001031740843 766986787 /nfs/dbraw/zinc/98/67/87/766986787.db2.gz LWFNCEITLDYJLQ-KRWDZBQOSA-N 2 2 330.432 0.937 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2c(C)noc2C)C1 ZINC001031740843 766986790 /nfs/dbraw/zinc/98/67/90/766986790.db2.gz LWFNCEITLDYJLQ-KRWDZBQOSA-N 2 2 330.432 0.937 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001020045835 772107367 /nfs/dbraw/zinc/10/73/67/772107367.db2.gz NCZJIULEMUMWDX-ULQDDVLXSA-N 2 2 328.416 0.626 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001020045835 772107369 /nfs/dbraw/zinc/10/73/69/772107369.db2.gz NCZJIULEMUMWDX-ULQDDVLXSA-N 2 2 328.416 0.626 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(CC)s2)C1 ZINC001020250627 772350751 /nfs/dbraw/zinc/35/07/51/772350751.db2.gz KBDQOMIPPMQVJN-IHRRRGAJSA-N 2 2 347.488 0.935 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(CC)s2)C1 ZINC001020250627 772350757 /nfs/dbraw/zinc/35/07/57/772350757.db2.gz KBDQOMIPPMQVJN-IHRRRGAJSA-N 2 2 347.488 0.935 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(OC)no2)C1 ZINC001020250937 772352239 /nfs/dbraw/zinc/35/22/39/772352239.db2.gz XFPVRTNZEFULQN-YDHLFZDLSA-N 2 2 332.404 0.518 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(OC)no2)C1 ZINC001020250937 772352246 /nfs/dbraw/zinc/35/22/46/772352246.db2.gz XFPVRTNZEFULQN-YDHLFZDLSA-N 2 2 332.404 0.518 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001045073819 774936846 /nfs/dbraw/zinc/93/68/46/774936846.db2.gz QRIARYNNZIGINX-IRXDYDNUSA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ncc(C)cn1 ZINC001045073819 774936849 /nfs/dbraw/zinc/93/68/49/774936849.db2.gz QRIARYNNZIGINX-IRXDYDNUSA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001045073576 774936857 /nfs/dbraw/zinc/93/68/57/774936857.db2.gz JYZQBVISOLDVOQ-GJZGRUSLSA-N 2 2 330.436 0.291 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001045073576 774936861 /nfs/dbraw/zinc/93/68/61/774936861.db2.gz JYZQBVISOLDVOQ-GJZGRUSLSA-N 2 2 330.436 0.291 20 30 ECEDLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077679412 781494042 /nfs/dbraw/zinc/49/40/42/781494042.db2.gz QSDDDWKSLKPBPX-ZTFGCOKTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077679412 781494044 /nfs/dbraw/zinc/49/40/44/781494044.db2.gz QSDDDWKSLKPBPX-ZTFGCOKTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077679412 781494048 /nfs/dbraw/zinc/49/40/48/781494048.db2.gz QSDDDWKSLKPBPX-ZTFGCOKTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077679412 781494051 /nfs/dbraw/zinc/49/40/51/781494051.db2.gz QSDDDWKSLKPBPX-ZTFGCOKTSA-N 2 2 342.443 0.561 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685210 781511236 /nfs/dbraw/zinc/51/12/36/781511236.db2.gz DVMBUNBXYJTNKP-HZPDHXFCSA-N 2 2 332.404 0.069 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077685210 781511240 /nfs/dbraw/zinc/51/12/40/781511240.db2.gz DVMBUNBXYJTNKP-HZPDHXFCSA-N 2 2 332.404 0.069 20 30 ECEDLP C=CC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070449921 784108641 /nfs/dbraw/zinc/10/86/41/784108641.db2.gz YEIZOJDTOREZHP-CABCVRRESA-N 2 2 346.479 0.867 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001070518149 784220180 /nfs/dbraw/zinc/22/01/80/784220180.db2.gz JZIDIKNAWWVOAE-GOEBONIOSA-N 2 2 326.404 0.224 20 30 ECEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001070963296 784243984 /nfs/dbraw/zinc/24/39/84/784243984.db2.gz KMIGDTLYZJIQNC-SJORKVTESA-N 2 2 348.491 0.697 20 30 ECEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001070963296 784243989 /nfs/dbraw/zinc/24/39/89/784243989.db2.gz KMIGDTLYZJIQNC-SJORKVTESA-N 2 2 348.491 0.697 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001070963296 784243992 /nfs/dbraw/zinc/24/39/92/784243992.db2.gz KMIGDTLYZJIQNC-SJORKVTESA-N 2 2 348.491 0.697 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001070963296 784243995 /nfs/dbraw/zinc/24/39/95/784243995.db2.gz KMIGDTLYZJIQNC-SJORKVTESA-N 2 2 348.491 0.697 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001071000236 784370543 /nfs/dbraw/zinc/37/05/43/784370543.db2.gz UTGFEPKGVUNZNV-UHFFFAOYSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001071000236 784370551 /nfs/dbraw/zinc/37/05/51/784370551.db2.gz UTGFEPKGVUNZNV-UHFFFAOYSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001071000236 784370554 /nfs/dbraw/zinc/37/05/54/784370554.db2.gz UTGFEPKGVUNZNV-UHFFFAOYSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001071000236 784370564 /nfs/dbraw/zinc/37/05/64/784370564.db2.gz UTGFEPKGVUNZNV-UHFFFAOYSA-N 2 2 348.491 0.392 20 30 ECEDLP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001071017226 784428514 /nfs/dbraw/zinc/42/85/14/784428514.db2.gz MGPYFHWIWUXSOZ-UHFFFAOYSA-N 2 2 333.436 0.487 20 30 ECEDLP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001071017226 784428520 /nfs/dbraw/zinc/42/85/20/784428520.db2.gz MGPYFHWIWUXSOZ-UHFFFAOYSA-N 2 2 333.436 0.487 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001071234148 784798586 /nfs/dbraw/zinc/79/85/86/784798586.db2.gz UMQMDXQCCIRHJE-KBXCAEBGSA-N 2 2 330.432 0.976 20 30 ECEDLP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001071234148 784798590 /nfs/dbraw/zinc/79/85/90/784798590.db2.gz UMQMDXQCCIRHJE-KBXCAEBGSA-N 2 2 330.432 0.976 20 30 ECEDLP C=CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C(=O)C1 ZINC001071258266 784861652 /nfs/dbraw/zinc/86/16/52/784861652.db2.gz BTBGVWOFDFIGJB-IAGOWNOFSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258266 784861660 /nfs/dbraw/zinc/86/16/60/784861660.db2.gz BTBGVWOFDFIGJB-IAGOWNOFSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258266 784861668 /nfs/dbraw/zinc/86/16/68/784861668.db2.gz BTBGVWOFDFIGJB-IAGOWNOFSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258266 784861677 /nfs/dbraw/zinc/86/16/77/784861677.db2.gz BTBGVWOFDFIGJB-IAGOWNOFSA-N 2 2 348.491 0.792 20 30 ECEDLP C#CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C(=O)C1 ZINC001071258969 784866208 /nfs/dbraw/zinc/86/62/08/784866208.db2.gz VKRAYVAICZRYEQ-DLBZAZTESA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258969 784866216 /nfs/dbraw/zinc/86/62/16/784866216.db2.gz VKRAYVAICZRYEQ-DLBZAZTESA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258969 784866233 /nfs/dbraw/zinc/86/62/33/784866233.db2.gz VKRAYVAICZRYEQ-DLBZAZTESA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258969 784866240 /nfs/dbraw/zinc/86/62/40/784866240.db2.gz VKRAYVAICZRYEQ-DLBZAZTESA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C(=O)C1 ZINC001071277369 784923399 /nfs/dbraw/zinc/92/33/99/784923399.db2.gz SDZLAIJBTXMHES-DLBZAZTESA-N 2 2 346.475 0.097 20 30 ECEDLP C#CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277369 784923406 /nfs/dbraw/zinc/92/34/06/784923406.db2.gz SDZLAIJBTXMHES-DLBZAZTESA-N 2 2 346.475 0.097 20 30 ECEDLP C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277369 784923412 /nfs/dbraw/zinc/92/34/12/784923412.db2.gz SDZLAIJBTXMHES-DLBZAZTESA-N 2 2 346.475 0.097 20 30 ECEDLP C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277369 784923417 /nfs/dbraw/zinc/92/34/17/784923417.db2.gz SDZLAIJBTXMHES-DLBZAZTESA-N 2 2 346.475 0.097 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1ccnn1C)C2 ZINC001072822562 788889601 /nfs/dbraw/zinc/88/96/01/788889601.db2.gz NTKAIXNIORWUEE-KRWDZBQOSA-N 2 2 341.459 0.552 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1ccnn1C)C2 ZINC001072822562 788889614 /nfs/dbraw/zinc/88/96/14/788889614.db2.gz NTKAIXNIORWUEE-KRWDZBQOSA-N 2 2 341.459 0.552 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1ccnn1C)C2 ZINC001072822562 788889626 /nfs/dbraw/zinc/88/96/26/788889626.db2.gz NTKAIXNIORWUEE-KRWDZBQOSA-N 2 2 341.459 0.552 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1ccnn1C)C2 ZINC001072822562 788889638 /nfs/dbraw/zinc/88/96/38/788889638.db2.gz NTKAIXNIORWUEE-KRWDZBQOSA-N 2 2 341.459 0.552 20 30 ECEDLP C=CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001267491900 837559069 /nfs/dbraw/zinc/55/90/69/837559069.db2.gz PNSWUBZVJQBNGH-CYBMUJFWSA-N 2 2 333.436 0.471 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001266353361 835754359 /nfs/dbraw/zinc/75/43/59/835754359.db2.gz ULGTYESTEJCYDS-QGZVFWFLSA-N 2 2 346.475 0.048 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001266353361 835754367 /nfs/dbraw/zinc/75/43/67/835754367.db2.gz ULGTYESTEJCYDS-QGZVFWFLSA-N 2 2 346.475 0.048 20 30 ECEDLP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+]1CC(=O)NCC#N)CC(C)(C)C ZINC001266483198 835883337 /nfs/dbraw/zinc/88/33/37/835883337.db2.gz QDUSPTQSBKHQFU-AWEZNQCLSA-N 2 2 337.468 0.185 20 30 ECEDLP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N)CC(C)(C)C ZINC001266483198 835883340 /nfs/dbraw/zinc/88/33/40/835883340.db2.gz QDUSPTQSBKHQFU-AWEZNQCLSA-N 2 2 337.468 0.185 20 30 ECEDLP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N)CC(C)(C)C ZINC001266483198 835883343 /nfs/dbraw/zinc/88/33/43/835883343.db2.gz QDUSPTQSBKHQFU-AWEZNQCLSA-N 2 2 337.468 0.185 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001266598203 836030364 /nfs/dbraw/zinc/03/03/64/836030364.db2.gz NYFCIJBLDYSTFC-KKUMJFAQSA-N 2 2 331.420 0.366 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001266598203 836030374 /nfs/dbraw/zinc/03/03/74/836030374.db2.gz NYFCIJBLDYSTFC-KKUMJFAQSA-N 2 2 331.420 0.366 20 30 ECEDLP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001266755566 836251453 /nfs/dbraw/zinc/25/14/53/836251453.db2.gz RFGHNNLJNILEAW-MRXNPFEDSA-N 2 2 332.448 0.831 20 30 ECEDLP COCC#CC[N@H+]1CCC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001266755566 836251468 /nfs/dbraw/zinc/25/14/68/836251468.db2.gz RFGHNNLJNILEAW-MRXNPFEDSA-N 2 2 332.448 0.831 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001266885102 836432176 /nfs/dbraw/zinc/43/21/76/836432176.db2.gz CAZXLGRTWPODRR-LSDHHAIUSA-N 2 2 333.436 0.545 20 30 ECEDLP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001267703054 838300980 /nfs/dbraw/zinc/30/09/80/838300980.db2.gz LHSPDVUOULGMGI-CQSZACIVSA-N 2 2 333.436 0.045 20 30 ECEDLP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001267703054 838300984 /nfs/dbraw/zinc/30/09/84/838300984.db2.gz LHSPDVUOULGMGI-CQSZACIVSA-N 2 2 333.436 0.045 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267768113 838507077 /nfs/dbraw/zinc/50/70/77/838507077.db2.gz MFQQERBSLMHPMA-IAGOWNOFSA-N 2 2 348.491 0.814 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267768113 838507078 /nfs/dbraw/zinc/50/70/78/838507078.db2.gz MFQQERBSLMHPMA-IAGOWNOFSA-N 2 2 348.491 0.814 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267768113 838507080 /nfs/dbraw/zinc/50/70/80/838507080.db2.gz MFQQERBSLMHPMA-IAGOWNOFSA-N 2 2 348.491 0.814 20 30 ECEDLP COCC#CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001267974085 838910143 /nfs/dbraw/zinc/91/01/43/838910143.db2.gz MHBUWPSMTPFULW-UHFFFAOYSA-N 2 2 344.459 0.927 20 30 ECEDLP COCC#CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001267974085 838910148 /nfs/dbraw/zinc/91/01/48/838910148.db2.gz MHBUWPSMTPFULW-UHFFFAOYSA-N 2 2 344.459 0.927 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001268066468 839252989 /nfs/dbraw/zinc/25/29/89/839252989.db2.gz AGEOZEDIRGOIQN-CABCVRRESA-N 2 2 346.479 0.962 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001268066468 839253002 /nfs/dbraw/zinc/25/30/02/839253002.db2.gz AGEOZEDIRGOIQN-CABCVRRESA-N 2 2 346.479 0.962 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ncnn1CCC ZINC001268066543 839253303 /nfs/dbraw/zinc/25/33/03/839253303.db2.gz AYZLZPWDMWOLLE-HOTGVXAUSA-N 2 2 346.479 0.722 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ncnn1CCC ZINC001268066543 839253316 /nfs/dbraw/zinc/25/33/16/839253316.db2.gz AYZLZPWDMWOLLE-HOTGVXAUSA-N 2 2 346.479 0.722 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nc(CC)no1 ZINC001268066849 839254730 /nfs/dbraw/zinc/25/47/30/839254730.db2.gz CJSYCXBEWNITOY-KGLIPLIRSA-N 2 2 333.436 0.666 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nc(CC)no1 ZINC001268066849 839254741 /nfs/dbraw/zinc/25/47/41/839254741.db2.gz CJSYCXBEWNITOY-KGLIPLIRSA-N 2 2 333.436 0.666 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CC1 ZINC000490618580 254880748 /nfs/dbraw/zinc/88/07/48/254880748.db2.gz XUZLRSXFSOYJEB-UHFFFAOYSA-N 2 2 329.448 0.410 20 30 ECEDLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cc(C#N)n(C)c1 ZINC000375960586 267053642 /nfs/dbraw/zinc/05/36/42/267053642.db2.gz JJIJIOFCEKAAMC-QAPCUYQASA-N 2 2 331.464 0.733 20 30 ECEDLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cc(C#N)n(C)c1 ZINC000375960586 267053644 /nfs/dbraw/zinc/05/36/44/267053644.db2.gz JJIJIOFCEKAAMC-QAPCUYQASA-N 2 2 331.464 0.733 20 30 ECEDLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000375960586 267053647 /nfs/dbraw/zinc/05/36/47/267053647.db2.gz JJIJIOFCEKAAMC-QAPCUYQASA-N 2 2 331.464 0.733 20 30 ECEDLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000375960586 267053648 /nfs/dbraw/zinc/05/36/48/267053648.db2.gz JJIJIOFCEKAAMC-QAPCUYQASA-N 2 2 331.464 0.733 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000336888623 268177481 /nfs/dbraw/zinc/17/74/81/268177481.db2.gz KGEMEMKLTMLGIS-INIZCTEOSA-N 2 2 341.415 0.839 20 30 ECEDLP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)[NH+]1CCOCC1 ZINC000329649235 289394354 /nfs/dbraw/zinc/39/43/54/289394354.db2.gz FFSCXPRPXDTSEC-BZUAXINKSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000330625599 300253335 /nfs/dbraw/zinc/25/33/35/300253335.db2.gz HSDDCGGHMUCMCO-IRXDYDNUSA-N 2 2 335.496 0.706 20 30 ECEDLP C[C@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000330625599 300253338 /nfs/dbraw/zinc/25/33/38/300253338.db2.gz HSDDCGGHMUCMCO-IRXDYDNUSA-N 2 2 335.496 0.706 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000057155244 436606404 /nfs/dbraw/zinc/60/64/04/436606404.db2.gz WGFNUCCWKWQPED-UHFFFAOYSA-N 2 2 342.443 0.880 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000272926059 436728481 /nfs/dbraw/zinc/72/84/81/436728481.db2.gz ULYJDKAUUWXRLT-UHFFFAOYSA-N 2 2 341.459 0.925 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000272926059 436728483 /nfs/dbraw/zinc/72/84/83/436728483.db2.gz ULYJDKAUUWXRLT-UHFFFAOYSA-N 2 2 341.459 0.925 20 30 ECEDLP C[C@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000262290535 436923363 /nfs/dbraw/zinc/92/33/63/436923363.db2.gz LCFXQSBKNFMKPL-DZGCQCFKSA-N 2 2 332.452 0.962 20 30 ECEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000283913306 437032999 /nfs/dbraw/zinc/03/29/99/437032999.db2.gz MPVYCGZVTPANPC-CQSZACIVSA-N 2 2 333.436 0.545 20 30 ECEDLP [NH2+]=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1cccc2c1CCCC2 ZINC000267312929 437317558 /nfs/dbraw/zinc/31/75/58/437317558.db2.gz OALOPAAKMLQZKE-HNNXBMFYSA-N 2 2 332.448 0.985 20 30 ECEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329704112 437403993 /nfs/dbraw/zinc/40/39/93/437403993.db2.gz IOOWUKXKOMVKGO-MCIONIFRSA-N 2 2 333.436 0.976 20 30 ECEDLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329620684 437393720 /nfs/dbraw/zinc/39/37/20/437393720.db2.gz RICPUYMEJDSLQM-OLZOCXBDSA-N 2 2 335.452 0.958 20 30 ECEDLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329620684 437393722 /nfs/dbraw/zinc/39/37/22/437393722.db2.gz RICPUYMEJDSLQM-OLZOCXBDSA-N 2 2 335.452 0.958 20 30 ECEDLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329620684 437393723 /nfs/dbraw/zinc/39/37/23/437393723.db2.gz RICPUYMEJDSLQM-OLZOCXBDSA-N 2 2 335.452 0.958 20 30 ECEDLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329620684 437393726 /nfs/dbraw/zinc/39/37/26/437393726.db2.gz RICPUYMEJDSLQM-OLZOCXBDSA-N 2 2 335.452 0.958 20 30 ECEDLP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000330214804 437470508 /nfs/dbraw/zinc/47/05/08/437470508.db2.gz GLNCAUHEBGZHFZ-OAGGEKHMSA-N 2 2 340.468 0.274 20 30 ECEDLP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1[NH+]1CCOCC1 ZINC000330214804 437470512 /nfs/dbraw/zinc/47/05/12/437470512.db2.gz GLNCAUHEBGZHFZ-OAGGEKHMSA-N 2 2 340.468 0.274 20 30 ECEDLP CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C[C@H](C)O ZINC000330243095 437472561 /nfs/dbraw/zinc/47/25/61/437472561.db2.gz CKAIMWNJJZVWLI-RRFJBIMHSA-N 2 2 335.452 0.889 20 30 ECEDLP CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C[C@H](C)O ZINC000330243095 437472563 /nfs/dbraw/zinc/47/25/63/437472563.db2.gz CKAIMWNJJZVWLI-RRFJBIMHSA-N 2 2 335.452 0.889 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330522646 437538223 /nfs/dbraw/zinc/53/82/23/437538223.db2.gz JRMTXFSULAQZCQ-ZACQAIPSSA-N 2 2 335.496 0.705 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330522646 437538231 /nfs/dbraw/zinc/53/82/31/437538231.db2.gz JRMTXFSULAQZCQ-ZACQAIPSSA-N 2 2 335.496 0.705 20 30 ECEDLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000330682603 437589308 /nfs/dbraw/zinc/58/93/08/437589308.db2.gz OBHYUDYYGMUXFG-HNNXBMFYSA-N 2 2 339.484 0.481 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424277781 437920531 /nfs/dbraw/zinc/92/05/31/437920531.db2.gz CKZMIWFETJHCQL-INIZCTEOSA-N 2 2 334.439 0.788 20 30 ECEDLP C=CCNC(=O)CN1CC[NH+](C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424277781 437920533 /nfs/dbraw/zinc/92/05/33/437920533.db2.gz CKZMIWFETJHCQL-INIZCTEOSA-N 2 2 334.439 0.788 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376865118 438296072 /nfs/dbraw/zinc/29/60/72/438296072.db2.gz UFFHHEWBHUMRJB-INIZCTEOSA-N 2 2 335.496 0.849 20 30 ECEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000451681512 438708374 /nfs/dbraw/zinc/70/83/74/438708374.db2.gz ONDMENYBWOZPDL-CABCVRRESA-N 2 2 325.453 0.537 20 30 ECEDLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595951026 438895674 /nfs/dbraw/zinc/89/56/74/438895674.db2.gz VVDJSWSIHBZKTE-ZWKOTPCHSA-N 2 2 343.475 0.940 20 30 ECEDLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595951026 438895678 /nfs/dbraw/zinc/89/56/78/438895678.db2.gz VVDJSWSIHBZKTE-ZWKOTPCHSA-N 2 2 343.475 0.940 20 30 ECEDLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000566123389 439010632 /nfs/dbraw/zinc/01/06/32/439010632.db2.gz IVRCLNNEGNFDOZ-QZTJIDSGSA-N 2 2 342.443 0.704 20 30 ECEDLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000566123389 439010637 /nfs/dbraw/zinc/01/06/37/439010637.db2.gz IVRCLNNEGNFDOZ-QZTJIDSGSA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000602895021 439154341 /nfs/dbraw/zinc/15/43/41/439154341.db2.gz ZZYOUFLWIDJNHQ-FUHWJXTLSA-N 2 2 333.432 0.686 20 30 ECEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000602895021 439154348 /nfs/dbraw/zinc/15/43/48/439154348.db2.gz ZZYOUFLWIDJNHQ-FUHWJXTLSA-N 2 2 333.432 0.686 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)CC1 ZINC000490933949 439312947 /nfs/dbraw/zinc/31/29/47/439312947.db2.gz GWKKCVJCXYFNMC-NVXWUHKLSA-N 2 2 327.428 0.918 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000582725926 439370814 /nfs/dbraw/zinc/37/08/14/439370814.db2.gz GWVDIFZLHFEIFH-DLBZAZTESA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000582725926 439370820 /nfs/dbraw/zinc/37/08/20/439370820.db2.gz GWVDIFZLHFEIFH-DLBZAZTESA-N 2 2 333.432 0.734 20 30 ECEDLP C[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)CC1 ZINC000528785018 439371084 /nfs/dbraw/zinc/37/10/84/439371084.db2.gz WTOOYUFNANKLLJ-UHFFFAOYSA-N 2 2 342.443 0.928 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC(=O)OC)C2)CC1 ZINC000491745435 439439904 /nfs/dbraw/zinc/43/99/04/439439904.db2.gz YROMNQJHHAAEID-OAHLLOKOSA-N 2 2 335.448 0.333 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC(=O)OC)C2)CC1 ZINC000491745435 439439906 /nfs/dbraw/zinc/43/99/06/439439906.db2.gz YROMNQJHHAAEID-OAHLLOKOSA-N 2 2 335.448 0.333 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000491786207 439452148 /nfs/dbraw/zinc/45/21/48/439452148.db2.gz UMHGNNQFUJVEAI-ZWKOTPCHSA-N 2 2 327.428 0.572 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000491786207 439452153 /nfs/dbraw/zinc/45/21/53/439452153.db2.gz UMHGNNQFUJVEAI-ZWKOTPCHSA-N 2 2 327.428 0.572 20 30 ECEDLP C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000644635803 440662684 /nfs/dbraw/zinc/66/26/84/440662684.db2.gz AUZAYYYYXRORDV-CQSZACIVSA-N 2 2 332.452 0.753 20 30 ECEDLP C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000644635803 440662691 /nfs/dbraw/zinc/66/26/91/440662691.db2.gz AUZAYYYYXRORDV-CQSZACIVSA-N 2 2 332.452 0.753 20 30 ECEDLP C=CCCn1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000668157159 547598903 /nfs/dbraw/zinc/59/89/03/547598903.db2.gz IURNVDPXPPXHGB-UHFFFAOYSA-N 2 2 346.479 0.840 20 30 ECEDLP CC(C)[N@H+]1CC(=NNC(=S)NCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000754254851 579414973 /nfs/dbraw/zinc/41/49/73/579414973.db2.gz QLMXATJSPQUIOF-CYBMUJFWSA-N 2 2 327.498 0.499 20 30 ECEDLP CC(C)[N@@H+]1CC(=NNC(=S)NCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000754254851 579414975 /nfs/dbraw/zinc/41/49/75/579414975.db2.gz QLMXATJSPQUIOF-CYBMUJFWSA-N 2 2 327.498 0.499 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000901013522 586682006 /nfs/dbraw/zinc/68/20/06/586682006.db2.gz ZRJVWWIWENFEFG-INIZCTEOSA-N 2 2 336.480 0.649 20 30 ECEDLP NC(=[NH+]OCC[C@H]1CCNC1=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902226934 586725843 /nfs/dbraw/zinc/72/58/43/586725843.db2.gz SPBSMXFMJHSKRZ-MRXNPFEDSA-N 2 2 346.431 0.682 20 30 ECEDLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(C#N)ccn1 ZINC000902871190 586760850 /nfs/dbraw/zinc/76/08/50/586760850.db2.gz JTIVOCNPRTWVHO-ZBFHGGJFSA-N 2 2 343.431 0.537 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849540105 589339876 /nfs/dbraw/zinc/33/98/76/589339876.db2.gz BKEVFFLXJIFZPL-SJORKVTESA-N 2 2 329.448 0.233 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849540105 589339878 /nfs/dbraw/zinc/33/98/78/589339878.db2.gz BKEVFFLXJIFZPL-SJORKVTESA-N 2 2 329.448 0.233 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](COC)c2cccc(OC)c2)CC1 ZINC000852446663 589497110 /nfs/dbraw/zinc/49/71/10/589497110.db2.gz QDJPDUKNCYFCIB-GOSISDBHSA-N 2 2 345.443 0.750 20 30 ECEDLP C#CC[C@H](CCOC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000858238630 589734542 /nfs/dbraw/zinc/73/45/42/589734542.db2.gz KVWUWSSSPASKCF-CVEARBPZSA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[C@H](CCOC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000858238630 589734544 /nfs/dbraw/zinc/73/45/44/589734544.db2.gz KVWUWSSSPASKCF-CVEARBPZSA-N 2 2 336.480 0.883 20 30 ECEDLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000872217591 590105235 /nfs/dbraw/zinc/10/52/35/590105235.db2.gz AMLADRBJDWKXNB-JKSUJKDBSA-N 2 2 333.432 0.733 20 30 ECEDLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000872217591 590105236 /nfs/dbraw/zinc/10/52/36/590105236.db2.gz AMLADRBJDWKXNB-JKSUJKDBSA-N 2 2 333.432 0.733 20 30 ECEDLP C[C@H]([C@H](C)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000876756398 590409483 /nfs/dbraw/zinc/40/94/83/590409483.db2.gz TWJNUBFLPQSMGY-PMUMKWKESA-N 2 2 342.443 0.970 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000876776394 590413739 /nfs/dbraw/zinc/41/37/39/590413739.db2.gz CJNJKXVGLNYMSB-UONOGXRCSA-N 2 2 342.871 0.611 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000884189910 590768077 /nfs/dbraw/zinc/76/80/77/590768077.db2.gz PJFFKOUGPHQRTE-ZNMIVQPWSA-N 2 2 325.453 0.917 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000884189910 590768081 /nfs/dbraw/zinc/76/80/81/590768081.db2.gz PJFFKOUGPHQRTE-ZNMIVQPWSA-N 2 2 325.453 0.917 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)CCC1 ZINC000886081143 590792940 /nfs/dbraw/zinc/79/29/40/590792940.db2.gz JJPNHCADJORAQE-CVEARBPZSA-N 2 2 334.464 0.845 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CCC1 ZINC000886081143 590792943 /nfs/dbraw/zinc/79/29/43/590792943.db2.gz JJPNHCADJORAQE-CVEARBPZSA-N 2 2 334.464 0.845 20 30 ECEDLP C#CCN(C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC[NH+](C)CC1 ZINC000886570877 590859818 /nfs/dbraw/zinc/85/98/18/590859818.db2.gz AGELAAKQNIIMII-MSOLQXFVSA-N 2 2 349.475 0.422 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)N1CCN(c2nc(N)[nH+]c(C3CC3)n2)CC1 ZINC000887621972 590982788 /nfs/dbraw/zinc/98/27/88/590982788.db2.gz DBPFZZQUQJZYBY-UHFFFAOYSA-N 2 2 345.451 0.488 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)N1CCN(c2nc(N)nc(C3CC3)[nH+]2)CC1 ZINC000887621972 590982792 /nfs/dbraw/zinc/98/27/92/590982792.db2.gz DBPFZZQUQJZYBY-UHFFFAOYSA-N 2 2 345.451 0.488 20 30 ECEDLP COC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000104170735 591053314 /nfs/dbraw/zinc/05/33/14/591053314.db2.gz XBSJCAAUSCFHEG-CQSZACIVSA-N 2 2 337.443 0.887 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)[C@H](C)C2)CC1 ZINC000948069377 611407669 /nfs/dbraw/zinc/40/76/69/611407669.db2.gz GWYBUUZIPZPRMO-GDBMZVCRSA-N 2 2 345.447 0.884 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)[C@H](C)C2)CC1 ZINC000948069377 611407673 /nfs/dbraw/zinc/40/76/73/611407673.db2.gz GWYBUUZIPZPRMO-GDBMZVCRSA-N 2 2 345.447 0.884 20 30 ECEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000933651795 608767617 /nfs/dbraw/zinc/76/76/17/608767617.db2.gz CAACPBAGUPAPJP-HNNXBMFYSA-N 2 2 335.448 0.877 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000938173051 609487185 /nfs/dbraw/zinc/48/71/85/609487185.db2.gz MFUZOLVTMLLZLO-HOTGVXAUSA-N 2 2 343.431 0.006 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000938173051 609487188 /nfs/dbraw/zinc/48/71/88/609487188.db2.gz MFUZOLVTMLLZLO-HOTGVXAUSA-N 2 2 343.431 0.006 20 30 ECEDLP C#CC[C@@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000920603666 609687768 /nfs/dbraw/zinc/68/77/68/609687768.db2.gz KLQMMFPNILSANF-INIZCTEOSA-N 2 2 336.480 0.620 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000918906297 610023533 /nfs/dbraw/zinc/02/35/33/610023533.db2.gz MJWSMPSONSOBKU-QGZVFWFLSA-N 3 2 347.507 0.552 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000941454013 610327140 /nfs/dbraw/zinc/32/71/40/610327140.db2.gz AMEDREMSLLURPA-UHFFFAOYSA-N 2 2 330.476 0.324 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000941675251 610448300 /nfs/dbraw/zinc/44/83/00/610448300.db2.gz VPYUJSFXXZILBR-SFHVURJKSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941675251 610448302 /nfs/dbraw/zinc/44/83/02/610448302.db2.gz VPYUJSFXXZILBR-SFHVURJKSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000941677833 610450257 /nfs/dbraw/zinc/45/02/57/610450257.db2.gz WSHBXOYVAYKYCK-GOSISDBHSA-N 2 2 332.492 0.568 20 30 ECEDLP C(#CC[N@@H+]1CCC[C@@H]1C1OCCO1)C[NH+]1CCC[C@@H]1C1OCCO1 ZINC000933899591 611758474 /nfs/dbraw/zinc/75/84/74/611758474.db2.gz CVQLRSGAXCLUKY-HZPDHXFCSA-N 2 2 336.432 0.664 20 30 ECEDLP C(#CC[N@H+]1CCC[C@@H]1C1OCCO1)C[NH+]1CCC[C@@H]1C1OCCO1 ZINC000933899591 611758475 /nfs/dbraw/zinc/75/84/75/611758475.db2.gz CVQLRSGAXCLUKY-HZPDHXFCSA-N 2 2 336.432 0.664 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1=O ZINC000981957207 751339854 /nfs/dbraw/zinc/33/98/54/751339854.db2.gz GDAKMBHMPAZVGL-IRXDYDNUSA-N 2 2 348.491 0.649 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1=O ZINC000981957207 751339859 /nfs/dbraw/zinc/33/98/59/751339859.db2.gz GDAKMBHMPAZVGL-IRXDYDNUSA-N 2 2 348.491 0.649 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1=O ZINC000981957207 751339863 /nfs/dbraw/zinc/33/98/63/751339863.db2.gz GDAKMBHMPAZVGL-IRXDYDNUSA-N 2 2 348.491 0.649 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1=O ZINC000981957207 751339868 /nfs/dbraw/zinc/33/98/68/751339868.db2.gz GDAKMBHMPAZVGL-IRXDYDNUSA-N 2 2 348.491 0.649 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnn(C)c2)C1 ZINC000971703222 734964523 /nfs/dbraw/zinc/96/45/23/734964523.db2.gz AOAMPVRZAWWYAL-SJORKVTESA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cnn(C)c2)C1 ZINC000971703222 734964525 /nfs/dbraw/zinc/96/45/25/734964525.db2.gz AOAMPVRZAWWYAL-SJORKVTESA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cnc(C)cn2)C1 ZINC000971703266 734964579 /nfs/dbraw/zinc/96/45/79/734964579.db2.gz BUYCDJZFXUBWHK-ROUUACIJSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cnc(C)cn2)C1 ZINC000971703266 734964582 /nfs/dbraw/zinc/96/45/82/734964582.db2.gz BUYCDJZFXUBWHK-ROUUACIJSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2snnc2C)C1 ZINC000971704002 734965621 /nfs/dbraw/zinc/96/56/21/734965621.db2.gz OZWZARZQHZBGIH-CABCVRRESA-N 2 2 347.488 0.977 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2snnc2C)C1 ZINC000971704002 734965622 /nfs/dbraw/zinc/96/56/22/734965622.db2.gz OZWZARZQHZBGIH-CABCVRRESA-N 2 2 347.488 0.977 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2snnc2C)C1 ZINC000971704002 734965623 /nfs/dbraw/zinc/96/56/23/734965623.db2.gz OZWZARZQHZBGIH-CABCVRRESA-N 2 2 347.488 0.977 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2snnc2C)C1 ZINC000971704002 734965624 /nfs/dbraw/zinc/96/56/24/734965624.db2.gz OZWZARZQHZBGIH-CABCVRRESA-N 2 2 347.488 0.977 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)C[N@H+](CC=C)CCO3)CC1 ZINC000972687015 737379609 /nfs/dbraw/zinc/37/96/09/737379609.db2.gz FBHSHTYKAYJIOW-LJQANCHMSA-N 2 2 331.460 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)C[N@@H+](CC=C)CCO3)CC1 ZINC000972687015 737379613 /nfs/dbraw/zinc/37/96/13/737379613.db2.gz FBHSHTYKAYJIOW-LJQANCHMSA-N 2 2 331.460 0.821 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nc(C)no2)C1 ZINC001024021820 737626422 /nfs/dbraw/zinc/62/64/22/737626422.db2.gz JTNCCEWEZDKBND-CVEARBPZSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nc(C)no2)C1 ZINC001024021820 737626424 /nfs/dbraw/zinc/62/64/24/737626424.db2.gz JTNCCEWEZDKBND-CVEARBPZSA-N 2 2 345.447 0.804 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104835969 740650229 /nfs/dbraw/zinc/65/02/29/740650229.db2.gz MGGFLTMMYDMLCE-ZIAGYGMSSA-N 2 2 333.436 0.329 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)nn1 ZINC001105240562 741533471 /nfs/dbraw/zinc/53/34/71/741533471.db2.gz RRMJEKRHZWCBJD-GDBMZVCRSA-N 2 2 342.447 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240562 741533474 /nfs/dbraw/zinc/53/34/74/741533474.db2.gz RRMJEKRHZWCBJD-GDBMZVCRSA-N 2 2 342.447 0.259 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nonc2C)C1 ZINC000999391208 744671558 /nfs/dbraw/zinc/67/15/58/744671558.db2.gz IXXCDSBDSOTAEA-ZBFHGGJFSA-N 2 2 331.420 0.556 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nonc2C)C1 ZINC000999391208 744671559 /nfs/dbraw/zinc/67/15/59/744671559.db2.gz IXXCDSBDSOTAEA-ZBFHGGJFSA-N 2 2 331.420 0.556 20 30 ECEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027502085 744836257 /nfs/dbraw/zinc/83/62/57/744836257.db2.gz NTBKAXJLCCVTLB-KURKYZTESA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027502085 744836260 /nfs/dbraw/zinc/83/62/60/744836260.db2.gz NTBKAXJLCCVTLB-KURKYZTESA-N 2 2 349.475 0.422 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167979205 744971745 /nfs/dbraw/zinc/97/17/45/744971745.db2.gz RJLBXVAMBBZGHV-OAHLLOKOSA-N 2 2 347.463 0.885 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167979205 744971752 /nfs/dbraw/zinc/97/17/52/744971752.db2.gz RJLBXVAMBBZGHV-OAHLLOKOSA-N 2 2 347.463 0.885 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnsn2)C1 ZINC000983900130 745473998 /nfs/dbraw/zinc/47/39/98/745473998.db2.gz FVGCJRTXNUYHHF-YDHLFZDLSA-N 2 2 333.461 0.620 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnsn2)C1 ZINC000983900130 745474001 /nfs/dbraw/zinc/47/40/01/745474001.db2.gz FVGCJRTXNUYHHF-YDHLFZDLSA-N 2 2 333.461 0.620 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(CC)no2)C1 ZINC000983902884 745480768 /nfs/dbraw/zinc/48/07/68/745480768.db2.gz ZGLCLZODPLHJKW-KKUMJFAQSA-N 2 2 345.447 0.714 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(CC)no2)C1 ZINC000983902884 745480770 /nfs/dbraw/zinc/48/07/70/745480770.db2.gz ZGLCLZODPLHJKW-KKUMJFAQSA-N 2 2 345.447 0.714 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001098723205 747717509 /nfs/dbraw/zinc/71/75/09/747717509.db2.gz VTHDVCQNYCOCRU-INIZCTEOSA-N 2 2 330.436 0.116 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001020980643 752396357 /nfs/dbraw/zinc/39/63/57/752396357.db2.gz OYUCDHHCCJVDJE-MGPQQGTHSA-N 2 2 331.420 0.284 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098680607 753582067 /nfs/dbraw/zinc/58/20/67/753582067.db2.gz IGEROBADPBKJNR-JKSUJKDBSA-N 2 2 330.436 0.115 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)[nH]3)C[C@H]2C)CC1 ZINC000989829329 754483766 /nfs/dbraw/zinc/48/37/66/754483766.db2.gz RNSSXVIJDRPSQR-CZUORRHYSA-N 2 2 344.463 0.537 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)nn1 ZINC001105377169 754500138 /nfs/dbraw/zinc/50/01/38/754500138.db2.gz RXVZDCDKUAWFJD-QGZVFWFLSA-N 2 2 344.463 0.649 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001105377169 754500143 /nfs/dbraw/zinc/50/01/43/754500143.db2.gz RXVZDCDKUAWFJD-QGZVFWFLSA-N 2 2 344.463 0.649 20 30 ECEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105655314 755205130 /nfs/dbraw/zinc/20/51/30/755205130.db2.gz HJIPZGAVISZVOK-RWQQGDIJSA-N 2 2 344.459 0.942 20 30 ECEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105673786 755804729 /nfs/dbraw/zinc/80/47/29/755804729.db2.gz PCJIMKNGJMKXHT-FPAYPSAMSA-N 2 2 344.459 0.873 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3coc(C)n3)C[C@@H]2C1 ZINC001048869623 757237560 /nfs/dbraw/zinc/23/75/60/757237560.db2.gz BHFXOCKLGUATQK-JZXOWHBKSA-N 2 2 342.443 0.971 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3coc(C)n3)C[C@@H]2C1 ZINC001048869623 757237562 /nfs/dbraw/zinc/23/75/62/757237562.db2.gz BHFXOCKLGUATQK-JZXOWHBKSA-N 2 2 342.443 0.971 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3coc(C)n3)C[C@@H]2C1 ZINC001048869623 757237566 /nfs/dbraw/zinc/23/75/66/757237566.db2.gz BHFXOCKLGUATQK-JZXOWHBKSA-N 2 2 342.443 0.971 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3coc(C)n3)C[C@@H]2C1 ZINC001048869623 757237570 /nfs/dbraw/zinc/23/75/70/757237570.db2.gz BHFXOCKLGUATQK-JZXOWHBKSA-N 2 2 342.443 0.971 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001077366450 758916238 /nfs/dbraw/zinc/91/62/38/758916238.db2.gz IHOAHRGTBPVKHR-HZPDHXFCSA-N 2 2 325.372 0.066 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001077366450 758916242 /nfs/dbraw/zinc/91/62/42/758916242.db2.gz IHOAHRGTBPVKHR-HZPDHXFCSA-N 2 2 325.372 0.066 20 30 ECEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051028020 761361750 /nfs/dbraw/zinc/36/17/50/761361750.db2.gz BPOISTOBZLNGOH-NDUQDZPOSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051028020 761361753 /nfs/dbraw/zinc/36/17/53/761361753.db2.gz BPOISTOBZLNGOH-NDUQDZPOSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051028020 761361764 /nfs/dbraw/zinc/36/17/64/761361764.db2.gz BPOISTOBZLNGOH-NDUQDZPOSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051028020 761361773 /nfs/dbraw/zinc/36/17/73/761361773.db2.gz BPOISTOBZLNGOH-NDUQDZPOSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001046901629 763347793 /nfs/dbraw/zinc/34/77/93/763347793.db2.gz VDMMTACZSSSYNX-KDOFPFPSSA-N 2 2 345.447 0.567 20 30 ECEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001014925066 763465987 /nfs/dbraw/zinc/46/59/87/763465987.db2.gz OBAYJDRBQSFJFE-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001014925066 763465993 /nfs/dbraw/zinc/46/59/93/763465993.db2.gz OBAYJDRBQSFJFE-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001014925066 763465999 /nfs/dbraw/zinc/46/59/99/763465999.db2.gz OBAYJDRBQSFJFE-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001014925066 763466005 /nfs/dbraw/zinc/46/60/05/763466005.db2.gz OBAYJDRBQSFJFE-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052044731 763680519 /nfs/dbraw/zinc/68/05/19/763680519.db2.gz KYWRJSPCSRVTTQ-ZWKOTPCHSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052044731 763680526 /nfs/dbraw/zinc/68/05/26/763680526.db2.gz KYWRJSPCSRVTTQ-ZWKOTPCHSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001047382321 764174516 /nfs/dbraw/zinc/17/45/16/764174516.db2.gz WQOMARHERZWNNT-HOTGVXAUSA-N 2 2 326.400 0.783 20 30 ECEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001047382321 764174521 /nfs/dbraw/zinc/17/45/21/764174521.db2.gz WQOMARHERZWNNT-HOTGVXAUSA-N 2 2 326.400 0.783 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001047415415 764274728 /nfs/dbraw/zinc/27/47/28/764274728.db2.gz WUPXSPOXCQAFCT-XSLAGTTESA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001047415415 764274735 /nfs/dbraw/zinc/27/47/35/764274735.db2.gz WUPXSPOXCQAFCT-XSLAGTTESA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001047415415 764274742 /nfs/dbraw/zinc/27/47/42/764274742.db2.gz WUPXSPOXCQAFCT-XSLAGTTESA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC[C@H]2CCOC2)C[C@@H]1O ZINC001047415415 764274752 /nfs/dbraw/zinc/27/47/52/764274752.db2.gz WUPXSPOXCQAFCT-XSLAGTTESA-N 2 2 349.475 0.014 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106068995 764297590 /nfs/dbraw/zinc/29/75/90/764297590.db2.gz URJRGLSHRPMLMY-QLFBSQMISA-N 2 2 347.463 0.717 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)CC1 ZINC001052456553 764537444 /nfs/dbraw/zinc/53/74/44/764537444.db2.gz HHGGVLPOXSEGDZ-AEFFLSMTSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccn(C)n2)CC1 ZINC001052456553 764537448 /nfs/dbraw/zinc/53/74/48/764537448.db2.gz HHGGVLPOXSEGDZ-AEFFLSMTSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccn(C)n2)CC1 ZINC001052456553 764537455 /nfs/dbraw/zinc/53/74/55/764537455.db2.gz HHGGVLPOXSEGDZ-AEFFLSMTSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccn(C)n2)CC1 ZINC001052456553 764537457 /nfs/dbraw/zinc/53/74/57/764537457.db2.gz HHGGVLPOXSEGDZ-AEFFLSMTSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098766836 764571824 /nfs/dbraw/zinc/57/18/24/764571824.db2.gz HGZVBEPZUUCJBC-GDBMZVCRSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766836 764571835 /nfs/dbraw/zinc/57/18/35/764571835.db2.gz HGZVBEPZUUCJBC-GDBMZVCRSA-N 2 2 330.436 0.116 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)C1=O ZINC001089041314 764867266 /nfs/dbraw/zinc/86/72/66/764867266.db2.gz OVPDGBYQQBYVCH-KBMXLJTQSA-N 2 2 345.447 0.557 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)C1=O ZINC001089041314 764867272 /nfs/dbraw/zinc/86/72/72/764867272.db2.gz OVPDGBYQQBYVCH-KBMXLJTQSA-N 2 2 345.447 0.557 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306523 766084596 /nfs/dbraw/zinc/08/45/96/766084596.db2.gz PPSFOMKNIBCOQH-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306523 766084601 /nfs/dbraw/zinc/08/46/01/766084601.db2.gz PPSFOMKNIBCOQH-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306523 766084604 /nfs/dbraw/zinc/08/46/04/766084604.db2.gz PPSFOMKNIBCOQH-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306523 766084610 /nfs/dbraw/zinc/08/46/10/766084610.db2.gz PPSFOMKNIBCOQH-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001045797329 766383552 /nfs/dbraw/zinc/38/35/52/766383552.db2.gz AQWLIDQCYNDCAT-IKGGRYGDSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001045797329 766383564 /nfs/dbraw/zinc/38/35/64/766383564.db2.gz AQWLIDQCYNDCAT-IKGGRYGDSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC001045797329 766383576 /nfs/dbraw/zinc/38/35/76/766383576.db2.gz AQWLIDQCYNDCAT-IKGGRYGDSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC001045797329 766383586 /nfs/dbraw/zinc/38/35/86/766383586.db2.gz AQWLIDQCYNDCAT-IKGGRYGDSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CC[NH+](CC#C)CC1)O2 ZINC001053699373 766617139 /nfs/dbraw/zinc/61/71/39/766617139.db2.gz DHBYQFLTKUTPKZ-SFHVURJKSA-N 2 2 343.471 0.705 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC3(C[NH+](CCOC)C3)O2)CC1 ZINC001053700383 766620112 /nfs/dbraw/zinc/62/01/12/766620112.db2.gz SWVGBENTMBUSBV-QGZVFWFLSA-N 2 2 349.475 0.328 20 30 ECEDLP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046036918 766729831 /nfs/dbraw/zinc/72/98/31/766729831.db2.gz PFJKFOJFWITLRO-IRXDYDNUSA-N 2 2 333.480 0.603 20 30 ECEDLP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046036918 766729834 /nfs/dbraw/zinc/72/98/34/766729834.db2.gz PFJKFOJFWITLRO-IRXDYDNUSA-N 2 2 333.480 0.603 20 30 ECEDLP CC1(C)CC[N@H+](CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046064839 766846912 /nfs/dbraw/zinc/84/69/12/766846912.db2.gz WESAPYNSJZSNRT-MRXNPFEDSA-N 2 2 333.480 0.460 20 30 ECEDLP CC1(C)CC[N@@H+](CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046064839 766846923 /nfs/dbraw/zinc/84/69/23/766846923.db2.gz WESAPYNSJZSNRT-MRXNPFEDSA-N 2 2 333.480 0.460 20 30 ECEDLP C#CCC[NH+]1CCN(S(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000913969780 766883011 /nfs/dbraw/zinc/88/30/11/766883011.db2.gz DFYZFPCFRXYXQM-INIZCTEOSA-N 2 2 325.478 0.443 20 30 ECEDLP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046077752 766908812 /nfs/dbraw/zinc/90/88/12/766908812.db2.gz YLMBXSUVBXTMHU-MRXNPFEDSA-N 2 2 331.464 0.757 20 30 ECEDLP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046077752 766908818 /nfs/dbraw/zinc/90/88/18/766908818.db2.gz YLMBXSUVBXTMHU-MRXNPFEDSA-N 2 2 331.464 0.757 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218008 767082485 /nfs/dbraw/zinc/08/24/85/767082485.db2.gz JAXNMSLHMFERFB-MJGOQNOKSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218008 767082492 /nfs/dbraw/zinc/08/24/92/767082492.db2.gz JAXNMSLHMFERFB-MJGOQNOKSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218008 767082500 /nfs/dbraw/zinc/08/25/00/767082500.db2.gz JAXNMSLHMFERFB-MJGOQNOKSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218008 767082509 /nfs/dbraw/zinc/08/25/09/767082509.db2.gz JAXNMSLHMFERFB-MJGOQNOKSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001055539244 769054350 /nfs/dbraw/zinc/05/43/50/769054350.db2.gz TWUZTNUCRLZPSW-UHFFFAOYSA-N 2 2 333.436 0.546 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC001055595492 769210603 /nfs/dbraw/zinc/21/06/03/769210603.db2.gz XFUSTQKRMJEDNX-KRWDZBQOSA-N 2 2 348.491 0.437 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC001055595492 769210609 /nfs/dbraw/zinc/21/06/09/769210609.db2.gz XFUSTQKRMJEDNX-KRWDZBQOSA-N 2 2 348.491 0.437 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001018391080 769275357 /nfs/dbraw/zinc/27/53/57/769275357.db2.gz BUFCRDCKYDFRLQ-DLBZAZTESA-N 2 2 348.491 0.507 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001018391080 769275363 /nfs/dbraw/zinc/27/53/63/769275363.db2.gz BUFCRDCKYDFRLQ-DLBZAZTESA-N 2 2 348.491 0.507 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2csnn2)C1 ZINC001018986288 770486768 /nfs/dbraw/zinc/48/67/68/770486768.db2.gz XNTBCCHDYAEUHB-IPYPFGDCSA-N 2 2 333.461 0.887 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2csnn2)C1 ZINC001018986288 770486771 /nfs/dbraw/zinc/48/67/71/770486771.db2.gz XNTBCCHDYAEUHB-IPYPFGDCSA-N 2 2 333.461 0.887 20 30 ECEDLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106874425 770502608 /nfs/dbraw/zinc/50/26/08/770502608.db2.gz HRHZUEUZITZRFE-CHWSQXEVSA-N 2 2 346.435 0.011 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001099345120 771338183 /nfs/dbraw/zinc/33/81/83/771338183.db2.gz XFEPYYRGICKRCR-JHJVBQTASA-N 2 2 333.354 0.319 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001099345120 771338188 /nfs/dbraw/zinc/33/81/88/771338188.db2.gz XFEPYYRGICKRCR-JHJVBQTASA-N 2 2 333.354 0.319 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001019707559 771723322 /nfs/dbraw/zinc/72/33/22/771723322.db2.gz KXKTWJMSHHNRMP-KBPBESRZSA-N 2 2 331.420 0.238 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ncc(C)cn3)C2)CC1 ZINC001019813364 771828032 /nfs/dbraw/zinc/82/80/32/771828032.db2.gz BIPSFBPWXDJGDR-KRWDZBQOSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C)n2CC)C1 ZINC001020250370 772350157 /nfs/dbraw/zinc/35/01/57/772350157.db2.gz DPMQUUOSIXFEMB-JYJNAYRXSA-N 2 2 344.463 0.441 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C)n2CC)C1 ZINC001020250370 772350162 /nfs/dbraw/zinc/35/01/62/772350162.db2.gz DPMQUUOSIXFEMB-JYJNAYRXSA-N 2 2 344.463 0.441 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nonc1C ZINC001045073297 774935800 /nfs/dbraw/zinc/93/58/00/774935800.db2.gz BRVGEBIGLCCLMY-HOCLYGCPSA-N 2 2 331.420 0.556 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nonc1C ZINC001045073297 774935803 /nfs/dbraw/zinc/93/58/03/774935803.db2.gz BRVGEBIGLCCLMY-HOCLYGCPSA-N 2 2 331.420 0.556 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001045290112 775328618 /nfs/dbraw/zinc/32/86/18/775328618.db2.gz FHZVMLKQNHZSRD-LSDHHAIUSA-N 2 2 345.447 0.628 20 30 ECEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077676966 781484766 /nfs/dbraw/zinc/48/47/66/781484766.db2.gz RDEWFYXTZJHBPA-ZTFGCOKTSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077676966 781484769 /nfs/dbraw/zinc/48/47/69/781484769.db2.gz RDEWFYXTZJHBPA-ZTFGCOKTSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077676966 781484771 /nfs/dbraw/zinc/48/47/71/781484771.db2.gz RDEWFYXTZJHBPA-ZTFGCOKTSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077676966 781484775 /nfs/dbraw/zinc/48/47/75/781484775.db2.gz RDEWFYXTZJHBPA-ZTFGCOKTSA-N 2 2 342.443 0.704 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001071000225 784370757 /nfs/dbraw/zinc/37/07/57/784370757.db2.gz TWGROTLRZORAHL-INIZCTEOSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001071000225 784370768 /nfs/dbraw/zinc/37/07/68/784370768.db2.gz TWGROTLRZORAHL-INIZCTEOSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001071000225 784370777 /nfs/dbraw/zinc/37/07/77/784370777.db2.gz TWGROTLRZORAHL-INIZCTEOSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001071000225 784370788 /nfs/dbraw/zinc/37/07/88/784370788.db2.gz TWGROTLRZORAHL-INIZCTEOSA-N 2 2 334.464 0.002 20 30 ECEDLP C=CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC001070606225 784427821 /nfs/dbraw/zinc/42/78/21/784427821.db2.gz SRAWYMZUZVNCHQ-LSDHHAIUSA-N 2 2 344.419 0.994 20 30 ECEDLP C=CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC001070606225 784427830 /nfs/dbraw/zinc/42/78/30/784427830.db2.gz SRAWYMZUZVNCHQ-LSDHHAIUSA-N 2 2 344.419 0.994 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)C1=O ZINC001074918395 788550824 /nfs/dbraw/zinc/55/08/24/788550824.db2.gz MEYKZANNZWKFND-QEJZJMRPSA-N 2 2 331.420 0.318 20 30 ECEDLP CCCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267495697 837566170 /nfs/dbraw/zinc/56/61/70/837566170.db2.gz FUSCNJFQQPOABT-HNNXBMFYSA-N 2 2 346.435 0.144 20 30 ECEDLP CCCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267495697 837566174 /nfs/dbraw/zinc/56/61/74/837566174.db2.gz FUSCNJFQQPOABT-HNNXBMFYSA-N 2 2 346.435 0.144 20 30 ECEDLP C=CCN1CC[NH+](CCN(C)C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001267575330 837825765 /nfs/dbraw/zinc/82/57/65/837825765.db2.gz BCEMRZPZVMYZRL-UHFFFAOYSA-N 2 2 338.496 0.359 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC(=O)N2CCCCC2)CC1 ZINC001266362264 835773924 /nfs/dbraw/zinc/77/39/24/835773924.db2.gz AUTWHEGVEGEQMT-UHFFFAOYSA-N 2 2 348.491 0.392 20 30 ECEDLP C=CCNC(=O)C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001266614304 836048484 /nfs/dbraw/zinc/04/84/84/836048484.db2.gz ZXKVVJKYKWYXTL-IAGOWNOFSA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001266614304 836048493 /nfs/dbraw/zinc/04/84/93/836048493.db2.gz ZXKVVJKYKWYXTL-IAGOWNOFSA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001266614304 836048502 /nfs/dbraw/zinc/04/85/02/836048502.db2.gz ZXKVVJKYKWYXTL-IAGOWNOFSA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001266614304 836048512 /nfs/dbraw/zinc/04/85/12/836048512.db2.gz ZXKVVJKYKWYXTL-IAGOWNOFSA-N 2 2 348.491 0.886 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)COC ZINC001266844759 836370759 /nfs/dbraw/zinc/37/07/59/836370759.db2.gz PLMBKWXEABBARJ-BBWFWOEESA-N 2 2 337.464 0.062 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC ZINC001266844759 836370765 /nfs/dbraw/zinc/37/07/65/836370765.db2.gz PLMBKWXEABBARJ-BBWFWOEESA-N 2 2 337.464 0.062 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1C[C@@H](O)COC ZINC001266844759 836370772 /nfs/dbraw/zinc/37/07/72/836370772.db2.gz PLMBKWXEABBARJ-BBWFWOEESA-N 2 2 337.464 0.062 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1C[C@@H](O)COC ZINC001266844759 836370775 /nfs/dbraw/zinc/37/07/75/836370775.db2.gz PLMBKWXEABBARJ-BBWFWOEESA-N 2 2 337.464 0.062 20 30 ECEDLP C[NH+]1CCC(CC(=O)NC[C@H]2CCCC[N@@H+]2CC(=O)NCC#N)CC1 ZINC001266856679 836392624 /nfs/dbraw/zinc/39/26/24/836392624.db2.gz WIYMBHKVMSXPDK-MRXNPFEDSA-N 2 2 349.479 0.329 20 30 ECEDLP C[NH+]1CCC(CC(=O)NC[C@H]2CCCC[N@H+]2CC(=O)NCC#N)CC1 ZINC001266856679 836392636 /nfs/dbraw/zinc/39/26/36/836392636.db2.gz WIYMBHKVMSXPDK-MRXNPFEDSA-N 2 2 349.479 0.329 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001267208740 836993956 /nfs/dbraw/zinc/99/39/56/836993956.db2.gz WJBZJPAJINZUQB-KBPBESRZSA-N 2 2 347.463 0.860 20 30 ECEDLP CCC[N@@H+](CC#CCOC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267315682 837191007 /nfs/dbraw/zinc/19/10/07/837191007.db2.gz ROTWVPDSKFEMFS-MRXNPFEDSA-N 2 2 332.448 0.924 20 30 ECEDLP CCC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267315682 837191012 /nfs/dbraw/zinc/19/10/12/837191012.db2.gz ROTWVPDSKFEMFS-MRXNPFEDSA-N 2 2 332.448 0.924 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001267326667 837205229 /nfs/dbraw/zinc/20/52/29/837205229.db2.gz XXWZOXJHSPHDID-DOTOQJQBSA-N 2 2 348.491 0.578 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001267326667 837205236 /nfs/dbraw/zinc/20/52/36/837205236.db2.gz XXWZOXJHSPHDID-DOTOQJQBSA-N 2 2 348.491 0.578 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001267326667 837205244 /nfs/dbraw/zinc/20/52/44/837205244.db2.gz XXWZOXJHSPHDID-DOTOQJQBSA-N 2 2 348.491 0.578 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001267326667 837205249 /nfs/dbraw/zinc/20/52/49/837205249.db2.gz XXWZOXJHSPHDID-DOTOQJQBSA-N 2 2 348.491 0.578 20 30 ECEDLP C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001267604200 837934572 /nfs/dbraw/zinc/93/45/72/837934572.db2.gz KUBQPIHOGGPPHN-UHFFFAOYSA-N 2 2 347.463 0.435 20 30 ECEDLP C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001267604200 837934574 /nfs/dbraw/zinc/93/45/74/837934574.db2.gz KUBQPIHOGGPPHN-UHFFFAOYSA-N 2 2 347.463 0.435 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267632691 838095647 /nfs/dbraw/zinc/09/56/47/838095647.db2.gz ROEGQJNSLHCFBI-SJORKVTESA-N 2 2 348.491 0.437 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267632691 838095659 /nfs/dbraw/zinc/09/56/59/838095659.db2.gz ROEGQJNSLHCFBI-SJORKVTESA-N 2 2 348.491 0.437 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001268063263 839248487 /nfs/dbraw/zinc/24/84/87/839248487.db2.gz LWKZAJQCHAUKIS-ZDUSSCGKSA-N 2 2 343.431 0.995 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(CC)no1 ZINC001268066847 839253167 /nfs/dbraw/zinc/25/31/67/839253167.db2.gz CJSYCXBEWNITOY-KBPBESRZSA-N 2 2 333.436 0.666 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(CC)no1 ZINC001268066847 839253173 /nfs/dbraw/zinc/25/31/73/839253173.db2.gz CJSYCXBEWNITOY-KBPBESRZSA-N 2 2 333.436 0.666 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372839658 285037580 /nfs/dbraw/zinc/03/75/80/285037580.db2.gz QBTDBBSUJXAUGR-MSOLQXFVSA-N 2 2 349.523 0.954 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372839658 285037582 /nfs/dbraw/zinc/03/75/82/285037582.db2.gz QBTDBBSUJXAUGR-MSOLQXFVSA-N 2 2 349.523 0.954 20 30 ECEDLP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262746953 254510225 /nfs/dbraw/zinc/51/02/25/254510225.db2.gz AQAUMDJAEPNRAN-CZUORRHYSA-N 3 2 325.526 0.825 20 30 ECEDLP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262746953 254510227 /nfs/dbraw/zinc/51/02/27/254510227.db2.gz AQAUMDJAEPNRAN-CZUORRHYSA-N 3 2 325.526 0.825 20 30 ECEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC(C(N)=O)=NO3)CC2)cc1 ZINC000372773011 268064640 /nfs/dbraw/zinc/06/46/40/268064640.db2.gz PFLQQFDPRRFKII-INIZCTEOSA-N 2 2 341.415 0.742 20 30 ECEDLP N#Cc1ccc2ncc(C[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)n2c1 ZINC000344206583 268225000 /nfs/dbraw/zinc/22/50/00/268225000.db2.gz GCUBQFXIKFMWSP-OAHLLOKOSA-N 2 2 326.404 0.635 20 30 ECEDLP COc1cc[nH+]c(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)c1 ZINC000092796180 436476388 /nfs/dbraw/zinc/47/63/88/436476388.db2.gz MPZNZXZTQKCWKO-UHFFFAOYSA-N 2 2 331.420 0.974 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109790108 436625798 /nfs/dbraw/zinc/62/57/98/436625798.db2.gz GGFYORDADBDTOC-HNNXBMFYSA-N 2 2 336.480 0.553 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)NC[C@](C)(O)c1cc(C)oc1C ZINC000262338317 436926416 /nfs/dbraw/zinc/92/64/16/436926416.db2.gz FVLXSLNRABVVKS-YOEHRIQHSA-N 2 2 338.452 0.600 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)NC[C@](C)(O)c1cc(C)oc1C ZINC000262338317 436926420 /nfs/dbraw/zinc/92/64/20/436926420.db2.gz FVLXSLNRABVVKS-YOEHRIQHSA-N 2 2 338.452 0.600 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261939862 436898532 /nfs/dbraw/zinc/89/85/32/436898532.db2.gz DHGSVULMPCDXPJ-CABCVRRESA-N 2 2 333.436 0.441 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261939862 436898537 /nfs/dbraw/zinc/89/85/37/436898537.db2.gz DHGSVULMPCDXPJ-CABCVRRESA-N 2 2 333.436 0.441 20 30 ECEDLP C[NH+]=C(NCCS(C)(=O)=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261996353 436900710 /nfs/dbraw/zinc/90/07/10/436900710.db2.gz SNIKABUSFAKEQE-CHWSQXEVSA-N 2 2 327.454 0.386 20 30 ECEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCN(C(C)=O)CC1 ZINC000263257539 436959193 /nfs/dbraw/zinc/95/91/93/436959193.db2.gz RIAXJLINUGUZEG-UHFFFAOYSA-N 2 2 332.452 0.501 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180953325 437306242 /nfs/dbraw/zinc/30/62/42/437306242.db2.gz SVYSGVBJTBAZOG-AWEZNQCLSA-N 2 2 339.484 0.345 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180953325 437306246 /nfs/dbraw/zinc/30/62/46/437306246.db2.gz SVYSGVBJTBAZOG-AWEZNQCLSA-N 2 2 339.484 0.345 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180953325 437306248 /nfs/dbraw/zinc/30/62/48/437306248.db2.gz SVYSGVBJTBAZOG-AWEZNQCLSA-N 2 2 339.484 0.345 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180953325 437306253 /nfs/dbraw/zinc/30/62/53/437306253.db2.gz SVYSGVBJTBAZOG-AWEZNQCLSA-N 2 2 339.484 0.345 20 30 ECEDLP C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH+]1CCOCC1 ZINC000330278807 437478314 /nfs/dbraw/zinc/47/83/14/437478314.db2.gz QCJMXCPNETZAJB-RBSFLKMASA-N 2 2 333.436 0.764 20 30 ECEDLP CN(C)C(=O)CC[NH+]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330278336 437478321 /nfs/dbraw/zinc/47/83/21/437478321.db2.gz PNCJWDUBXAVHBP-AWEZNQCLSA-N 2 2 348.451 0.208 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330860139 437634609 /nfs/dbraw/zinc/63/46/09/437634609.db2.gz VXCZSZGTOCWCDW-CVEARBPZSA-N 2 2 335.496 0.847 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330860139 437634614 /nfs/dbraw/zinc/63/46/14/437634614.db2.gz VXCZSZGTOCWCDW-CVEARBPZSA-N 2 2 335.496 0.847 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330860140 437635533 /nfs/dbraw/zinc/63/55/33/437635533.db2.gz VXCZSZGTOCWCDW-HOTGVXAUSA-N 2 2 335.496 0.847 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330860140 437635539 /nfs/dbraw/zinc/63/55/39/437635539.db2.gz VXCZSZGTOCWCDW-HOTGVXAUSA-N 2 2 335.496 0.847 20 30 ECEDLP C=CCn1cc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)nn1 ZINC000425725727 438038532 /nfs/dbraw/zinc/03/85/32/438038532.db2.gz NMQLISGMCFCDPV-UHFFFAOYSA-N 2 2 335.456 0.289 20 30 ECEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)cc1 ZINC000418527295 438158054 /nfs/dbraw/zinc/15/80/54/438158054.db2.gz SQISYLCHEUIBRO-UHFFFAOYSA-N 2 2 337.374 0.979 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2C(=O)OCC)CC1 ZINC000359446642 438438354 /nfs/dbraw/zinc/43/83/54/438438354.db2.gz ZQGDYBRHDYRXHE-UHFFFAOYSA-N 2 2 332.404 0.683 20 30 ECEDLP C[N@H+](CCC#N)C[C@@H](O)CNc1cccc(C[NH+]2CC[C@@H](O)C2)c1 ZINC000575862669 438757280 /nfs/dbraw/zinc/75/72/80/438757280.db2.gz IXPYZLZOXLHRKQ-MSOLQXFVSA-N 2 2 332.448 0.871 20 30 ECEDLP C[N@@H+](CCC#N)C[C@@H](O)CNc1cccc(C[NH+]2CC[C@@H](O)C2)c1 ZINC000575862669 438757281 /nfs/dbraw/zinc/75/72/81/438757281.db2.gz IXPYZLZOXLHRKQ-MSOLQXFVSA-N 2 2 332.448 0.871 20 30 ECEDLP C[NH+](CCC#N)C[C@@H](O)CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000575862669 438757282 /nfs/dbraw/zinc/75/72/82/438757282.db2.gz IXPYZLZOXLHRKQ-MSOLQXFVSA-N 2 2 332.448 0.871 20 30 ECEDLP C[NH+](CCC#N)C[C@@H](O)CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000575862669 438757284 /nfs/dbraw/zinc/75/72/84/438757284.db2.gz IXPYZLZOXLHRKQ-MSOLQXFVSA-N 2 2 332.448 0.871 20 30 ECEDLP C[C@H]1C[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)N1CC#N ZINC000602855754 439144009 /nfs/dbraw/zinc/14/40/09/439144009.db2.gz ILFSRWSDWFSUCY-GJZGRUSLSA-N 2 2 333.480 0.648 20 30 ECEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000602875839 439149445 /nfs/dbraw/zinc/14/94/45/439149445.db2.gz AUMDJJIGNHWABD-SJLPKXTDSA-N 2 2 333.432 0.686 20 30 ECEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000602875839 439149449 /nfs/dbraw/zinc/14/94/49/439149449.db2.gz AUMDJJIGNHWABD-SJLPKXTDSA-N 2 2 333.432 0.686 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000490933566 439312878 /nfs/dbraw/zinc/31/28/78/439312878.db2.gz DSQAMHZGGZZTFE-OWJWWREXSA-N 2 2 347.484 0.852 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000490933243 439313696 /nfs/dbraw/zinc/31/36/96/439313696.db2.gz DEXHEGXACPYWRT-HNNXBMFYSA-N 2 2 336.480 0.437 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000490933243 439313698 /nfs/dbraw/zinc/31/36/98/439313698.db2.gz DEXHEGXACPYWRT-HNNXBMFYSA-N 2 2 336.480 0.437 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)c2ccc(OC)cc2)CC1 ZINC000490778780 439297610 /nfs/dbraw/zinc/29/76/10/439297610.db2.gz LBSVOAXISRDCKJ-UHFFFAOYSA-N 2 2 330.388 0.110 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)CCC)C2)CC1 ZINC000490780221 439298484 /nfs/dbraw/zinc/29/84/84/439298484.db2.gz GQTMRQATHPXRGB-QGZVFWFLSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)CCC)C2)CC1 ZINC000490780221 439298490 /nfs/dbraw/zinc/29/84/90/439298490.db2.gz GQTMRQATHPXRGB-QGZVFWFLSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000491617501 439412432 /nfs/dbraw/zinc/41/24/32/439412432.db2.gz CSQKYEIHIXVYJZ-MRXNPFEDSA-N 2 2 348.491 0.377 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000491617501 439412437 /nfs/dbraw/zinc/41/24/37/439412437.db2.gz CSQKYEIHIXVYJZ-MRXNPFEDSA-N 2 2 348.491 0.377 20 30 ECEDLP C#CCNC(=O)CC[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000491712456 439433488 /nfs/dbraw/zinc/43/34/88/439433488.db2.gz YIBOMCNOVLIZKY-UHFFFAOYSA-N 2 2 328.460 0.928 20 30 ECEDLP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000594440582 439560266 /nfs/dbraw/zinc/56/02/66/439560266.db2.gz GDRZIJCNSSVJQL-HNNXBMFYSA-N 2 2 331.420 0.946 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCn3cc[nH+]c3C2)nc1 ZINC000572596191 439595769 /nfs/dbraw/zinc/59/57/69/439595769.db2.gz OLVUMSPPKFZVQT-CYBMUJFWSA-N 2 2 331.401 0.528 20 30 ECEDLP Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C#N ZINC000595126401 439659282 /nfs/dbraw/zinc/65/92/82/439659282.db2.gz WEDSSMBIONZXBJ-UHFFFAOYSA-N 2 2 345.447 0.805 20 30 ECEDLP Cc1cccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C#N ZINC000595126401 439659284 /nfs/dbraw/zinc/65/92/84/439659284.db2.gz WEDSSMBIONZXBJ-UHFFFAOYSA-N 2 2 345.447 0.805 20 30 ECEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000329346801 546021190 /nfs/dbraw/zinc/02/11/90/546021190.db2.gz DCBQFZURPGGIBI-OAHLLOKOSA-N 2 2 334.468 0.511 20 30 ECEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000329346801 546021196 /nfs/dbraw/zinc/02/11/96/546021196.db2.gz DCBQFZURPGGIBI-OAHLLOKOSA-N 2 2 334.468 0.511 20 30 ECEDLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619613035 546347961 /nfs/dbraw/zinc/34/79/61/546347961.db2.gz MDMMEXCWGMXQFK-DZGCQCFKSA-N 2 2 345.451 0.338 20 30 ECEDLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619613035 546347962 /nfs/dbraw/zinc/34/79/62/546347962.db2.gz MDMMEXCWGMXQFK-DZGCQCFKSA-N 2 2 345.451 0.338 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)NCC(C)C)CC2)CC1 ZINC000748817016 579329294 /nfs/dbraw/zinc/32/92/94/579329294.db2.gz XMHPPWQBJRGULD-UHFFFAOYSA-N 2 2 348.491 0.248 20 30 ECEDLP C#C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000775788663 579271247 /nfs/dbraw/zinc/27/12/47/579271247.db2.gz ITQNDNOZJGRBTK-IRXDYDNUSA-N 2 2 342.443 0.891 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000778325227 579308258 /nfs/dbraw/zinc/30/82/58/579308258.db2.gz HOERMQSZDFCYNE-SJORKVTESA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000778325227 579308259 /nfs/dbraw/zinc/30/82/59/579308259.db2.gz HOERMQSZDFCYNE-SJORKVTESA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896180691 586225348 /nfs/dbraw/zinc/22/53/48/586225348.db2.gz FDLPCWISANSFLZ-HNNXBMFYSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896180691 586225349 /nfs/dbraw/zinc/22/53/49/586225349.db2.gz FDLPCWISANSFLZ-HNNXBMFYSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000896180691 586225351 /nfs/dbraw/zinc/22/53/51/586225351.db2.gz FDLPCWISANSFLZ-HNNXBMFYSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000896180691 586225353 /nfs/dbraw/zinc/22/53/53/586225353.db2.gz FDLPCWISANSFLZ-HNNXBMFYSA-N 2 2 334.464 0.143 20 30 ECEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2nc(C#N)cs2)CC1 ZINC000893865072 586364522 /nfs/dbraw/zinc/36/45/22/586364522.db2.gz GHFJZMKPRZFYCL-UHFFFAOYSA-N 2 2 336.465 0.840 20 30 ECEDLP NC(=[NH+]OCCO[C@@H]1CCOC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902703431 586754977 /nfs/dbraw/zinc/75/49/77/586754977.db2.gz KJXMHBFSTPWBTD-QGZVFWFLSA-N 2 2 349.431 0.961 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000906578441 586956799 /nfs/dbraw/zinc/95/67/99/586956799.db2.gz AAPICPANAVVNJH-QGZVFWFLSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906578441 586956801 /nfs/dbraw/zinc/95/68/01/586956801.db2.gz AAPICPANAVVNJH-QGZVFWFLSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000906578441 586956802 /nfs/dbraw/zinc/95/68/02/586956802.db2.gz AAPICPANAVVNJH-QGZVFWFLSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000906578441 586956803 /nfs/dbraw/zinc/95/68/03/586956803.db2.gz AAPICPANAVVNJH-QGZVFWFLSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)CC1 ZINC000847019915 589233225 /nfs/dbraw/zinc/23/32/25/589233225.db2.gz YVMYKRHWINEPQQ-VQIMIIECSA-N 2 2 347.459 0.429 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)CC1 ZINC000847019915 589233226 /nfs/dbraw/zinc/23/32/26/589233226.db2.gz YVMYKRHWINEPQQ-VQIMIIECSA-N 2 2 347.459 0.429 20 30 ECEDLP C#Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000850573382 589369390 /nfs/dbraw/zinc/36/93/90/589369390.db2.gz YZLHNHXAWRUQSG-HNNXBMFYSA-N 2 2 344.459 0.995 20 30 ECEDLP C#Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000850573382 589369391 /nfs/dbraw/zinc/36/93/91/589369391.db2.gz YZLHNHXAWRUQSG-HNNXBMFYSA-N 2 2 344.459 0.995 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2[C@@H](C)CC(C(=O)OC)C[C@@H]2C)CC1 ZINC000860188312 589751329 /nfs/dbraw/zinc/75/13/29/589751329.db2.gz LPLIQTXMRSBYBA-GJZGRUSLSA-N 2 2 335.448 0.426 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000879376813 590309221 /nfs/dbraw/zinc/30/92/21/590309221.db2.gz JUBCHPZMWSWYLI-CYBMUJFWSA-N 2 2 342.399 0.961 20 30 ECEDLP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(C#N)C[NH+](C)C ZINC000875705008 590322948 /nfs/dbraw/zinc/32/29/48/590322948.db2.gz KGRXSEODCQBPQW-LRDDRELGSA-N 2 2 341.456 0.401 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591923 590326696 /nfs/dbraw/zinc/32/66/96/590326696.db2.gz AWTFGFGQEBWUAZ-MRXNPFEDSA-N 2 2 335.496 0.706 20 30 ECEDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1CCN(c2ccccc2C#N)CC1 ZINC000877176110 590443095 /nfs/dbraw/zinc/44/30/95/590443095.db2.gz PGHPOBNOLAYOOH-MRXNPFEDSA-N 2 2 329.448 0.922 20 30 ECEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C2 ZINC000884197532 590770399 /nfs/dbraw/zinc/77/03/99/590770399.db2.gz WKEJPXQDSNGYGU-GARNVTTQSA-N 2 2 332.448 0.449 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000884393206 590819005 /nfs/dbraw/zinc/81/90/05/590819005.db2.gz XFPVPPMTZMOKAR-GJZGRUSLSA-N 2 2 339.436 0.146 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884433467 590826839 /nfs/dbraw/zinc/82/68/39/590826839.db2.gz JYDKZQRZMNIZCP-DCAQKATOSA-N 2 2 337.342 0.419 20 30 ECEDLP C#CCN1CCC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000886661186 590870083 /nfs/dbraw/zinc/87/00/83/590870083.db2.gz OTUVWGKLXDEEHS-LJQANCHMSA-N 2 2 334.508 0.470 20 30 ECEDLP C#CCN1CCC[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000886661186 590870087 /nfs/dbraw/zinc/87/00/87/590870087.db2.gz OTUVWGKLXDEEHS-LJQANCHMSA-N 2 2 334.508 0.470 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130686 590946576 /nfs/dbraw/zinc/94/65/76/590946576.db2.gz IZZDPSLGUIXHIV-ZIAGYGMSSA-N 2 2 331.420 0.992 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130686 590946577 /nfs/dbraw/zinc/94/65/77/590946577.db2.gz IZZDPSLGUIXHIV-ZIAGYGMSSA-N 2 2 331.420 0.992 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000887668007 590990012 /nfs/dbraw/zinc/99/00/12/590990012.db2.gz HMMVVFSRVWTHMK-MSOLQXFVSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000887668007 590990014 /nfs/dbraw/zinc/99/00/14/590990014.db2.gz HMMVVFSRVWTHMK-MSOLQXFVSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000887668007 590990016 /nfs/dbraw/zinc/99/00/16/590990016.db2.gz HMMVVFSRVWTHMK-MSOLQXFVSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000887668007 590990017 /nfs/dbraw/zinc/99/00/17/590990017.db2.gz HMMVVFSRVWTHMK-MSOLQXFVSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000890360972 591150797 /nfs/dbraw/zinc/15/07/97/591150797.db2.gz HFHJYXLKPGMFTR-GOSISDBHSA-N 2 2 348.491 0.838 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000890360972 591150799 /nfs/dbraw/zinc/15/07/99/591150799.db2.gz HFHJYXLKPGMFTR-GOSISDBHSA-N 2 2 348.491 0.838 20 30 ECEDLP C[C@H](CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C)[NH+](C)C ZINC000912505688 609962689 /nfs/dbraw/zinc/96/26/89/609962689.db2.gz DMFPOZNALCSXFA-OAHLLOKOSA-N 3 2 327.517 0.993 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456528 610318708 /nfs/dbraw/zinc/31/87/08/610318708.db2.gz QUFXYFMBVYMJRS-WMZOPIPTSA-N 2 2 330.476 0.465 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456528 610318710 /nfs/dbraw/zinc/31/87/10/610318710.db2.gz QUFXYFMBVYMJRS-WMZOPIPTSA-N 2 2 330.476 0.465 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000941677127 610450046 /nfs/dbraw/zinc/45/00/46/610450046.db2.gz LODGYZISVOYKGT-LJQANCHMSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC000941410102 610723138 /nfs/dbraw/zinc/72/31/38/610723138.db2.gz AOLWGVNCLSYARE-UHFFFAOYSA-N 2 2 332.492 0.713 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[NH+](CC(C)C)CC1 ZINC000087193626 612509062 /nfs/dbraw/zinc/50/90/62/612509062.db2.gz XVIIHFMICDYTMI-UHFFFAOYSA-N 3 2 335.500 0.835 20 30 ECEDLP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428414 731794883 /nfs/dbraw/zinc/79/48/83/731794883.db2.gz UPAIFJWTJVAEIT-QGPMSJSTSA-N 2 2 344.459 0.840 20 30 ECEDLP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428414 731794886 /nfs/dbraw/zinc/79/48/86/731794886.db2.gz UPAIFJWTJVAEIT-QGPMSJSTSA-N 2 2 344.459 0.840 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C2)C1=O ZINC000969436325 731877857 /nfs/dbraw/zinc/87/78/57/731877857.db2.gz DIFBWZXZOVWWNA-CABCVRRESA-N 2 2 345.447 0.330 20 30 ECEDLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000969439576 731879291 /nfs/dbraw/zinc/87/92/91/731879291.db2.gz BXQFRVMRJDMZER-KBXCAEBGSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000969439576 731879297 /nfs/dbraw/zinc/87/92/97/731879297.db2.gz BXQFRVMRJDMZER-KBXCAEBGSA-N 2 2 342.443 0.825 20 30 ECEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000970215346 733207104 /nfs/dbraw/zinc/20/71/04/733207104.db2.gz XWULOAWTKKGCFI-YJBOKZPZSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000970215346 733207107 /nfs/dbraw/zinc/20/71/07/733207107.db2.gz XWULOAWTKKGCFI-YJBOKZPZSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ncc(C)cn3)C2)CC1 ZINC000970791885 733943040 /nfs/dbraw/zinc/94/30/40/733943040.db2.gz BIPSFBPWXDJGDR-QGZVFWFLSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)[nH]3)C2)CC1 ZINC000970792745 733943553 /nfs/dbraw/zinc/94/35/53/733943553.db2.gz UILNPERWABJDBF-OAHLLOKOSA-N 2 2 330.436 0.149 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC000972040943 735546812 /nfs/dbraw/zinc/54/68/12/735546812.db2.gz VOOVXBMQGCIHRR-CVEARBPZSA-N 2 2 345.447 0.593 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC000972040943 735546814 /nfs/dbraw/zinc/54/68/14/735546814.db2.gz VOOVXBMQGCIHRR-CVEARBPZSA-N 2 2 345.447 0.593 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001023424124 736807285 /nfs/dbraw/zinc/80/72/85/736807285.db2.gz OLFFTBVGEYZWOB-HOTGVXAUSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001023424124 736807287 /nfs/dbraw/zinc/80/72/87/736807287.db2.gz OLFFTBVGEYZWOB-HOTGVXAUSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001023424124 736807289 /nfs/dbraw/zinc/80/72/89/736807289.db2.gz OLFFTBVGEYZWOB-HOTGVXAUSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001023424124 736807293 /nfs/dbraw/zinc/80/72/93/736807293.db2.gz OLFFTBVGEYZWOB-HOTGVXAUSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972599464 737056862 /nfs/dbraw/zinc/05/68/62/737056862.db2.gz QOKOGGPNUGZECP-SFHVURJKSA-N 2 2 335.448 0.035 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972599464 737056865 /nfs/dbraw/zinc/05/68/65/737056865.db2.gz QOKOGGPNUGZECP-SFHVURJKSA-N 2 2 335.448 0.035 20 30 ECEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C[C@@H](C)O2 ZINC001098578463 737070630 /nfs/dbraw/zinc/07/06/30/737070630.db2.gz VGQYGVHECGBGMQ-IAGOWNOFSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C[C@@H](C)O2 ZINC001098578463 737070631 /nfs/dbraw/zinc/07/06/31/737070631.db2.gz VGQYGVHECGBGMQ-IAGOWNOFSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnon3)C2)CC1 ZINC001023762085 737326467 /nfs/dbraw/zinc/32/64/67/737326467.db2.gz QYBURWQHJRFWIS-HNNXBMFYSA-N 2 2 345.447 0.743 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cnon3)C2)CC1 ZINC001023762085 737326472 /nfs/dbraw/zinc/32/64/72/737326472.db2.gz QYBURWQHJRFWIS-HNNXBMFYSA-N 2 2 345.447 0.743 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC001105259795 741586539 /nfs/dbraw/zinc/58/65/39/741586539.db2.gz MVEGPXBBQKBBBJ-MRXNPFEDSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105259795 741586542 /nfs/dbraw/zinc/58/65/42/741586542.db2.gz MVEGPXBBQKBBBJ-MRXNPFEDSA-N 2 2 344.463 0.647 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)c3occc3C[NH+](C)C)C2)nn1 ZINC001105313631 741740271 /nfs/dbraw/zinc/74/02/71/741740271.db2.gz FPVPNTNRPDMTGE-UHFFFAOYSA-N 2 2 344.419 0.905 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001026981423 742247127 /nfs/dbraw/zinc/24/71/27/742247127.db2.gz OZVNUBYGMHHNSQ-CVEARBPZSA-N 2 2 345.447 0.498 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCn3cc[nH+]c3)C2)nn1 ZINC001105381314 743458247 /nfs/dbraw/zinc/45/82/47/743458247.db2.gz XHKAXFRRFCBGKQ-UHFFFAOYSA-N 2 2 329.408 0.614 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC000999686943 744840168 /nfs/dbraw/zinc/84/01/68/744840168.db2.gz BLYMFMQORVUAHC-ZBCRRDGASA-N 2 2 345.447 0.329 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1=O ZINC001167979776 744976405 /nfs/dbraw/zinc/97/64/05/744976405.db2.gz XDBFYNLCKDJLLY-UKRRQHHQSA-N 2 2 333.436 0.471 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1=O ZINC001167979776 744976408 /nfs/dbraw/zinc/97/64/08/744976408.db2.gz XDBFYNLCKDJLLY-UKRRQHHQSA-N 2 2 333.436 0.471 20 30 ECEDLP CC#CC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001168255002 752006337 /nfs/dbraw/zinc/00/63/37/752006337.db2.gz BAWQJGUBCZSRRG-QGZVFWFLSA-N 2 2 333.476 0.997 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2CC)C1=O ZINC001087829586 746438758 /nfs/dbraw/zinc/43/87/58/746438758.db2.gz LZQXUMLIHXWVQG-GVDBMIGSSA-N 2 2 348.491 0.838 20 30 ECEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920398 746662001 /nfs/dbraw/zinc/66/20/01/746662001.db2.gz NLOSFPLROUXCBI-ILXRZTDVSA-N 2 2 327.856 0.850 20 30 ECEDLP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920398 746662004 /nfs/dbraw/zinc/66/20/04/746662004.db2.gz NLOSFPLROUXCBI-ILXRZTDVSA-N 2 2 327.856 0.850 20 30 ECEDLP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920398 746662007 /nfs/dbraw/zinc/66/20/07/746662007.db2.gz NLOSFPLROUXCBI-ILXRZTDVSA-N 2 2 327.856 0.850 20 30 ECEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920398 746662009 /nfs/dbraw/zinc/66/20/09/746662009.db2.gz NLOSFPLROUXCBI-ILXRZTDVSA-N 2 2 327.856 0.850 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)C1=O ZINC001004150718 749264269 /nfs/dbraw/zinc/26/42/69/749264269.db2.gz BCNOUSGXSHDYQU-INIZCTEOSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC000980268412 749278309 /nfs/dbraw/zinc/27/83/09/749278309.db2.gz GRZGUTIVVRHNAQ-ZBFHGGJFSA-N 2 2 345.447 0.580 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC000980268412 749278312 /nfs/dbraw/zinc/27/83/12/749278312.db2.gz GRZGUTIVVRHNAQ-ZBFHGGJFSA-N 2 2 345.447 0.580 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC001004208450 749318015 /nfs/dbraw/zinc/31/80/15/749318015.db2.gz PIBNXLXZCWZLDC-UHFFFAOYSA-N 2 2 343.475 0.846 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262764583 749678486 /nfs/dbraw/zinc/67/84/86/749678486.db2.gz FQFPJIUCXHXIBI-UONOGXRCSA-N 3 2 325.526 0.825 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262764583 749678490 /nfs/dbraw/zinc/67/84/90/749678490.db2.gz FQFPJIUCXHXIBI-UONOGXRCSA-N 3 2 325.526 0.825 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)Cc3c[nH+]c[nH]3)CC2)C1=O ZINC001006058528 750973305 /nfs/dbraw/zinc/97/33/05/750973305.db2.gz AVKPAMICGBQHNN-INIZCTEOSA-N 2 2 345.447 0.662 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nc(C)no3)[C@@H]2C)CC1 ZINC000987576146 750991771 /nfs/dbraw/zinc/99/17/71/750991771.db2.gz NKBVTIRUIGRFTJ-BBRMVZONSA-N 2 2 345.447 0.802 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001028333968 752412399 /nfs/dbraw/zinc/41/23/99/752412399.db2.gz TZROWDDNWZZRCN-SFHVURJKSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001028333968 752412404 /nfs/dbraw/zinc/41/24/04/752412404.db2.gz TZROWDDNWZZRCN-SFHVURJKSA-N 2 2 343.475 0.846 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001098649052 753632713 /nfs/dbraw/zinc/63/27/13/753632713.db2.gz KANVNUAHFSBEHN-CVEARBPZSA-N 2 2 348.451 0.048 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001098649052 753632715 /nfs/dbraw/zinc/63/27/15/753632715.db2.gz KANVNUAHFSBEHN-CVEARBPZSA-N 2 2 348.451 0.048 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001098649053 753632996 /nfs/dbraw/zinc/63/29/96/753632996.db2.gz KANVNUAHFSBEHN-HOTGVXAUSA-N 2 2 348.451 0.048 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001098649053 753633000 /nfs/dbraw/zinc/63/30/00/753633000.db2.gz KANVNUAHFSBEHN-HOTGVXAUSA-N 2 2 348.451 0.048 20 30 ECEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105660997 755324727 /nfs/dbraw/zinc/32/47/27/755324727.db2.gz CFKUCICBQMFSTQ-LTDCPUDJSA-N 2 2 344.459 0.942 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996082652 756936519 /nfs/dbraw/zinc/93/65/19/756936519.db2.gz COTCCRKNVQRMFA-DLBZAZTESA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996082652 756936522 /nfs/dbraw/zinc/93/65/22/756936522.db2.gz COTCCRKNVQRMFA-DLBZAZTESA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996082659 756936917 /nfs/dbraw/zinc/93/69/17/756936917.db2.gz COTCCRKNVQRMFA-SJORKVTESA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996082659 756936921 /nfs/dbraw/zinc/93/69/21/756936921.db2.gz COTCCRKNVQRMFA-SJORKVTESA-N 2 2 333.476 0.947 20 30 ECEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001048952951 757499106 /nfs/dbraw/zinc/49/91/06/757499106.db2.gz SUTMJVLFXCYZPL-XDNAFOTISA-N 2 2 349.475 0.442 20 30 ECEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)C[C@H]2C1 ZINC001048952951 757499113 /nfs/dbraw/zinc/49/91/13/757499113.db2.gz SUTMJVLFXCYZPL-XDNAFOTISA-N 2 2 349.475 0.442 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(CC)n2C)C1 ZINC001022221159 758443311 /nfs/dbraw/zinc/44/33/11/758443311.db2.gz YPVKDPAUPPGOBG-ZNMIVQPWSA-N 2 2 344.463 0.212 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(CC)n2C)C1 ZINC001022221159 758443319 /nfs/dbraw/zinc/44/33/19/758443319.db2.gz YPVKDPAUPPGOBG-ZNMIVQPWSA-N 2 2 344.463 0.212 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107076308 759791746 /nfs/dbraw/zinc/79/17/46/759791746.db2.gz PKAXDMFXXKOSNW-IAGOWNOFSA-N 2 2 332.448 0.997 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106226016 767971090 /nfs/dbraw/zinc/97/10/90/767971090.db2.gz OLZIWEJQXSYKQX-QLFBSQMISA-N 2 2 345.447 0.164 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106226016 767971093 /nfs/dbraw/zinc/97/10/93/767971093.db2.gz OLZIWEJQXSYKQX-QLFBSQMISA-N 2 2 345.447 0.164 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001030025631 760724843 /nfs/dbraw/zinc/72/48/43/760724843.db2.gz FLCCMWMHGCYTPQ-OAGGEKHMSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001030025631 760724846 /nfs/dbraw/zinc/72/48/46/760724846.db2.gz FLCCMWMHGCYTPQ-OAGGEKHMSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001030025631 760724850 /nfs/dbraw/zinc/72/48/50/760724850.db2.gz FLCCMWMHGCYTPQ-OAGGEKHMSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001030025631 760724855 /nfs/dbraw/zinc/72/48/55/760724855.db2.gz FLCCMWMHGCYTPQ-OAGGEKHMSA-N 2 2 334.464 0.448 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995926134 760788765 /nfs/dbraw/zinc/78/87/65/760788765.db2.gz TZFFAQWBFQTCNG-HOTGVXAUSA-N 2 2 344.463 0.239 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995926134 760788772 /nfs/dbraw/zinc/78/87/72/760788772.db2.gz TZFFAQWBFQTCNG-HOTGVXAUSA-N 2 2 344.463 0.239 20 30 ECEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001050921167 761147011 /nfs/dbraw/zinc/14/70/11/761147011.db2.gz PPLXTFGCAAQRIA-HNNXBMFYSA-N 2 2 335.452 0.451 20 30 ECEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001050921167 761147013 /nfs/dbraw/zinc/14/70/13/761147013.db2.gz PPLXTFGCAAQRIA-HNNXBMFYSA-N 2 2 335.452 0.451 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001051157883 761582488 /nfs/dbraw/zinc/58/24/88/761582488.db2.gz BIVAYYYLGUTVLG-QGZVFWFLSA-N 2 2 349.479 0.842 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001051157883 761582494 /nfs/dbraw/zinc/58/24/94/761582494.db2.gz BIVAYYYLGUTVLG-QGZVFWFLSA-N 2 2 349.479 0.842 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@]2(C)CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001046905329 763355504 /nfs/dbraw/zinc/35/55/04/763355504.db2.gz CXKIJISDKFCGKC-QAPCUYQASA-N 2 2 345.447 0.498 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000940551068 763412224 /nfs/dbraw/zinc/41/22/24/763412224.db2.gz LCOKMZYFHIMZIC-CVEARBPZSA-N 2 2 343.431 0.006 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000940551068 763412235 /nfs/dbraw/zinc/41/22/35/763412235.db2.gz LCOKMZYFHIMZIC-CVEARBPZSA-N 2 2 343.431 0.006 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046994868 763532657 /nfs/dbraw/zinc/53/26/57/763532657.db2.gz HMFXIKPIYRIENT-HUUCEWRRSA-N 2 2 343.418 0.804 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994868 763532663 /nfs/dbraw/zinc/53/26/63/763532663.db2.gz HMFXIKPIYRIENT-HUUCEWRRSA-N 2 2 343.418 0.804 20 30 ECEDLP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046994868 763532670 /nfs/dbraw/zinc/53/26/70/763532670.db2.gz HMFXIKPIYRIENT-HUUCEWRRSA-N 2 2 343.418 0.804 20 30 ECEDLP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046994868 763532676 /nfs/dbraw/zinc/53/26/76/763532676.db2.gz HMFXIKPIYRIENT-HUUCEWRRSA-N 2 2 343.418 0.804 20 30 ECEDLP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001052000068 763556587 /nfs/dbraw/zinc/55/65/87/763556587.db2.gz KXTKDMPCHRGIHL-SJORKVTESA-N 2 2 336.480 0.112 20 30 ECEDLP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001052000068 763556589 /nfs/dbraw/zinc/55/65/89/763556589.db2.gz KXTKDMPCHRGIHL-SJORKVTESA-N 2 2 336.480 0.112 20 30 ECEDLP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001052001751 763560159 /nfs/dbraw/zinc/56/01/59/763560159.db2.gz XYHVSLQPPYVHJP-DLBZAZTESA-N 2 2 336.480 0.112 20 30 ECEDLP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001052001751 763560167 /nfs/dbraw/zinc/56/01/67/763560167.db2.gz XYHVSLQPPYVHJP-DLBZAZTESA-N 2 2 336.480 0.112 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052026779 763619812 /nfs/dbraw/zinc/61/98/12/763619812.db2.gz SYKVGVWEKMEHKG-SJORKVTESA-N 2 2 333.480 0.601 20 30 ECEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052026779 763619820 /nfs/dbraw/zinc/61/98/20/763619820.db2.gz SYKVGVWEKMEHKG-SJORKVTESA-N 2 2 333.480 0.601 20 30 ECEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052035628 763643909 /nfs/dbraw/zinc/64/39/09/763643909.db2.gz LWNLRTOVNQYCQE-SJORKVTESA-N 2 2 333.480 0.603 20 30 ECEDLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052035628 763643915 /nfs/dbraw/zinc/64/39/15/763643915.db2.gz LWNLRTOVNQYCQE-SJORKVTESA-N 2 2 333.480 0.603 20 30 ECEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001052091378 763831557 /nfs/dbraw/zinc/83/15/57/763831557.db2.gz BJTCWLDRDWKAGJ-IBGZPJMESA-N 2 2 346.519 0.960 20 30 ECEDLP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001052109214 763895101 /nfs/dbraw/zinc/89/51/01/763895101.db2.gz YMCWEFNYWFMWAB-MRXNPFEDSA-N 2 2 331.464 0.757 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001047415356 764275493 /nfs/dbraw/zinc/27/54/93/764275493.db2.gz VLDXHKHFYZILRY-XSLAGTTESA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001047415356 764275498 /nfs/dbraw/zinc/27/54/98/764275498.db2.gz VLDXHKHFYZILRY-XSLAGTTESA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001047415356 764275503 /nfs/dbraw/zinc/27/55/03/764275503.db2.gz VLDXHKHFYZILRY-XSLAGTTESA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@@H]2CCCOC2)C[C@@H]1O ZINC001047415356 764275508 /nfs/dbraw/zinc/27/55/08/764275508.db2.gz VLDXHKHFYZILRY-XSLAGTTESA-N 2 2 349.475 0.014 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)nn1 ZINC001098766178 764481238 /nfs/dbraw/zinc/48/12/38/764481238.db2.gz ACGWJGKGYIKMII-OAHLLOKOSA-N 2 2 343.435 0.693 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3CC)C2)CC1 ZINC001016335231 766138910 /nfs/dbraw/zinc/13/89/10/766138910.db2.gz CAQJJZRDHNFKNJ-MRXNPFEDSA-N 2 2 344.463 0.334 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3CC)C2)CC1 ZINC001016335231 766138911 /nfs/dbraw/zinc/13/89/11/766138911.db2.gz CAQJJZRDHNFKNJ-MRXNPFEDSA-N 2 2 344.463 0.334 20 30 ECEDLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC[N@@H+]1C ZINC001046032238 766704926 /nfs/dbraw/zinc/70/49/26/766704926.db2.gz HAOIMJYQCIWUQD-IXDOHACOSA-N 2 2 333.480 0.459 20 30 ECEDLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC[N@H+]1C ZINC001046032238 766704928 /nfs/dbraw/zinc/70/49/28/766704928.db2.gz HAOIMJYQCIWUQD-IXDOHACOSA-N 2 2 333.480 0.459 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC001046040757 766749528 /nfs/dbraw/zinc/74/95/28/766749528.db2.gz KPMXJSHOSUGCLL-DLBZAZTESA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC001046040757 766749533 /nfs/dbraw/zinc/74/95/33/766749533.db2.gz KPMXJSHOSUGCLL-DLBZAZTESA-N 2 2 343.475 0.850 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001046065539 766849072 /nfs/dbraw/zinc/84/90/72/766849072.db2.gz APGRHVDYVHMWQB-IAGOWNOFSA-N 2 2 329.448 0.686 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001046065539 766849082 /nfs/dbraw/zinc/84/90/82/766849082.db2.gz APGRHVDYVHMWQB-IAGOWNOFSA-N 2 2 329.448 0.686 20 30 ECEDLP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046506052 767268240 /nfs/dbraw/zinc/26/82/40/767268240.db2.gz OBQGFLWDGLDBIP-AOIWGVFYSA-N 2 2 349.475 0.470 20 30 ECEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046506052 767268242 /nfs/dbraw/zinc/26/82/42/767268242.db2.gz OBQGFLWDGLDBIP-AOIWGVFYSA-N 2 2 349.475 0.470 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC[NH+](CC#C)CC1)CO2 ZINC001054015628 767605085 /nfs/dbraw/zinc/60/50/85/767605085.db2.gz MBOFLAPSCCPGSY-QGZVFWFLSA-N 2 2 329.444 0.314 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001045073908 774936691 /nfs/dbraw/zinc/93/66/91/774936691.db2.gz SNNJXRSMQGBWHK-GJZGRUSLSA-N 2 2 331.420 0.556 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001045073908 774936694 /nfs/dbraw/zinc/93/66/94/774936694.db2.gz SNNJXRSMQGBWHK-GJZGRUSLSA-N 2 2 331.420 0.556 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cnn(C)c2)C[C@H]1C ZINC001079878340 777011727 /nfs/dbraw/zinc/01/17/27/777011727.db2.gz TWBNIFHQNGQDMT-OIISXLGYSA-N 2 2 329.448 0.454 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cnn(C)c2)C[C@H]1C ZINC001079878340 777011732 /nfs/dbraw/zinc/01/17/32/777011732.db2.gz TWBNIFHQNGQDMT-OIISXLGYSA-N 2 2 329.448 0.454 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1C ZINC001079878340 777011738 /nfs/dbraw/zinc/01/17/38/777011738.db2.gz TWBNIFHQNGQDMT-OIISXLGYSA-N 2 2 329.448 0.454 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cnn(C)c2)C[C@H]1C ZINC001079878340 777011742 /nfs/dbraw/zinc/01/17/42/777011742.db2.gz TWBNIFHQNGQDMT-OIISXLGYSA-N 2 2 329.448 0.454 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079176758 780854101 /nfs/dbraw/zinc/85/41/01/780854101.db2.gz PTRVEUQROYTNCO-RCCFBDPRSA-N 2 2 345.418 0.674 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079176758 780854112 /nfs/dbraw/zinc/85/41/12/780854112.db2.gz PTRVEUQROYTNCO-RCCFBDPRSA-N 2 2 345.418 0.674 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001070963272 784242324 /nfs/dbraw/zinc/24/23/24/784242324.db2.gz JZRQNDJYALVZCK-QGZVFWFLSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001070963272 784242332 /nfs/dbraw/zinc/24/23/32/784242332.db2.gz JZRQNDJYALVZCK-QGZVFWFLSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001070963272 784242338 /nfs/dbraw/zinc/24/23/38/784242338.db2.gz JZRQNDJYALVZCK-QGZVFWFLSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001070963272 784242343 /nfs/dbraw/zinc/24/23/43/784242343.db2.gz JZRQNDJYALVZCK-QGZVFWFLSA-N 2 2 348.491 0.533 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001070998748 784365430 /nfs/dbraw/zinc/36/54/30/784365430.db2.gz QYIXNYPQBGPBAS-INIZCTEOSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001070998748 784365442 /nfs/dbraw/zinc/36/54/42/784365442.db2.gz QYIXNYPQBGPBAS-INIZCTEOSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001070998748 784365456 /nfs/dbraw/zinc/36/54/56/784365456.db2.gz QYIXNYPQBGPBAS-INIZCTEOSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001070998748 784365465 /nfs/dbraw/zinc/36/54/65/784365465.db2.gz QYIXNYPQBGPBAS-INIZCTEOSA-N 2 2 336.480 0.697 20 30 ECEDLP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071226093 784784090 /nfs/dbraw/zinc/78/40/90/784784090.db2.gz UZDUMTDLHHVMSF-QAPCUYQASA-N 2 2 330.432 0.678 20 30 ECEDLP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071226093 784784097 /nfs/dbraw/zinc/78/40/97/784784097.db2.gz UZDUMTDLHHVMSF-QAPCUYQASA-N 2 2 330.432 0.678 20 30 ECEDLP C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)C(=O)C1 ZINC001071272353 784906077 /nfs/dbraw/zinc/90/60/77/784906077.db2.gz MLYRUEODBVJTIB-SJORKVTESA-N 2 2 348.491 0.485 20 30 ECEDLP C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)C(=O)C1 ZINC001071272353 784906086 /nfs/dbraw/zinc/90/60/86/784906086.db2.gz MLYRUEODBVJTIB-SJORKVTESA-N 2 2 348.491 0.485 20 30 ECEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001074361277 786755278 /nfs/dbraw/zinc/75/52/78/786755278.db2.gz ZMXFUNRDEZTAGH-DLBZAZTESA-N 2 2 337.464 0.587 20 30 ECEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001074361277 786755283 /nfs/dbraw/zinc/75/52/83/786755283.db2.gz ZMXFUNRDEZTAGH-DLBZAZTESA-N 2 2 337.464 0.587 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001075397927 789325132 /nfs/dbraw/zinc/32/51/32/789325132.db2.gz UKLNABLLJRCGPL-AEFFLSMTSA-N 2 2 344.459 0.972 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266308597 835674630 /nfs/dbraw/zinc/67/46/30/835674630.db2.gz YLXFBRTYFISKRD-HZPDHXFCSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266308597 835674632 /nfs/dbraw/zinc/67/46/32/835674632.db2.gz YLXFBRTYFISKRD-HZPDHXFCSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266308597 835674637 /nfs/dbraw/zinc/67/46/37/835674637.db2.gz YLXFBRTYFISKRD-HZPDHXFCSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266308597 835674639 /nfs/dbraw/zinc/67/46/39/835674639.db2.gz YLXFBRTYFISKRD-HZPDHXFCSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001266333587 835716507 /nfs/dbraw/zinc/71/65/07/835716507.db2.gz QDPDZJUDLZNFGP-LSDHHAIUSA-N 2 2 331.420 0.251 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001266333587 835716509 /nfs/dbraw/zinc/71/65/09/835716509.db2.gz QDPDZJUDLZNFGP-LSDHHAIUSA-N 2 2 331.420 0.251 20 30 ECEDLP C=CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001266614305 836048059 /nfs/dbraw/zinc/04/80/59/836048059.db2.gz ZXKVVJKYKWYXTL-IRXDYDNUSA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001266614305 836048072 /nfs/dbraw/zinc/04/80/72/836048072.db2.gz ZXKVVJKYKWYXTL-IRXDYDNUSA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001266614305 836048085 /nfs/dbraw/zinc/04/80/85/836048085.db2.gz ZXKVVJKYKWYXTL-IRXDYDNUSA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001266614305 836048096 /nfs/dbraw/zinc/04/80/96/836048096.db2.gz ZXKVVJKYKWYXTL-IRXDYDNUSA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001267053475 836687655 /nfs/dbraw/zinc/68/76/55/836687655.db2.gz PIDOVVYSXZHXAS-HUUCEWRRSA-N 2 2 333.436 0.402 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001267280744 837128777 /nfs/dbraw/zinc/12/87/77/837128777.db2.gz GGVLMUQDZKQEME-ZBFHGGJFSA-N 2 2 345.447 0.071 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001267280744 837128780 /nfs/dbraw/zinc/12/87/80/837128780.db2.gz GGVLMUQDZKQEME-ZBFHGGJFSA-N 2 2 345.447 0.071 20 30 ECEDLP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267708366 838315882 /nfs/dbraw/zinc/31/58/82/838315882.db2.gz IAGYEGIWHBWYLU-PVAVHDDUSA-N 2 2 330.432 0.933 20 30 ECEDLP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267708366 838315887 /nfs/dbraw/zinc/31/58/87/838315887.db2.gz IAGYEGIWHBWYLU-PVAVHDDUSA-N 2 2 330.432 0.933 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001267715379 838353985 /nfs/dbraw/zinc/35/39/85/838353985.db2.gz BCDXIEKVUVWDMY-JYJNAYRXSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001267715379 838353993 /nfs/dbraw/zinc/35/39/93/838353993.db2.gz BCDXIEKVUVWDMY-JYJNAYRXSA-N 2 2 336.480 0.694 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ncnn1CC ZINC001267804707 838583757 /nfs/dbraw/zinc/58/37/57/838583757.db2.gz AAMZJXWYYFYHHI-GJZGRUSLSA-N 2 2 332.452 0.380 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ncnn1CC ZINC001267804707 838583761 /nfs/dbraw/zinc/58/37/61/838583761.db2.gz AAMZJXWYYFYHHI-GJZGRUSLSA-N 2 2 332.452 0.380 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001267842679 838640461 /nfs/dbraw/zinc/64/04/61/838640461.db2.gz AWUYJQUGGBBVGX-CYBMUJFWSA-N 2 2 333.436 0.662 20 30 ECEDLP COCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000328876315 285008969 /nfs/dbraw/zinc/00/89/69/285008969.db2.gz KCPPWEMUPWYMIX-CVEARBPZSA-N 2 2 340.468 0.416 20 30 ECEDLP COCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000328876315 285008972 /nfs/dbraw/zinc/00/89/72/285008972.db2.gz KCPPWEMUPWYMIX-CVEARBPZSA-N 2 2 340.468 0.416 20 30 ECEDLP NC(=[NH+]OC[C@H]1CNC(=O)O1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000495583394 255021696 /nfs/dbraw/zinc/02/16/96/255021696.db2.gz MRUDTWHVTVHICV-CQSZACIVSA-N 2 2 334.376 0.264 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000528560006 270008122 /nfs/dbraw/zinc/00/81/22/270008122.db2.gz FUROZHSQFHNCEV-MSOLQXFVSA-N 2 2 345.443 0.829 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000528560006 270008123 /nfs/dbraw/zinc/00/81/23/270008123.db2.gz FUROZHSQFHNCEV-MSOLQXFVSA-N 2 2 345.443 0.829 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231171 436629920 /nfs/dbraw/zinc/62/99/20/436629920.db2.gz FPYSFXHRBGKFIY-DLBZAZTESA-N 2 2 335.496 0.849 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231171 436629921 /nfs/dbraw/zinc/62/99/21/436629921.db2.gz FPYSFXHRBGKFIY-DLBZAZTESA-N 2 2 335.496 0.849 20 30 ECEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000246224825 436775477 /nfs/dbraw/zinc/77/54/77/436775477.db2.gz ZWCWXKHBQNYXGF-QZTJIDSGSA-N 2 2 349.523 0.952 20 30 ECEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000246224825 436775482 /nfs/dbraw/zinc/77/54/82/436775482.db2.gz ZWCWXKHBQNYXGF-QZTJIDSGSA-N 2 2 349.523 0.952 20 30 ECEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000246224825 436775485 /nfs/dbraw/zinc/77/54/85/436775485.db2.gz ZWCWXKHBQNYXGF-QZTJIDSGSA-N 2 2 349.523 0.952 20 30 ECEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000246224825 436775488 /nfs/dbraw/zinc/77/54/88/436775488.db2.gz ZWCWXKHBQNYXGF-QZTJIDSGSA-N 2 2 349.523 0.952 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)c2ccc3c(c2)CCO3)CC1 ZINC000158168330 436840626 /nfs/dbraw/zinc/84/06/26/436840626.db2.gz GTNWXRNRBDOWDO-UHFFFAOYSA-N 2 2 342.399 0.036 20 30 ECEDLP C=CCOCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000293011227 436841424 /nfs/dbraw/zinc/84/14/24/436841424.db2.gz HLZGZFQKQIWMNN-UHFFFAOYSA-N 2 2 333.436 0.638 20 30 ECEDLP CCS(=O)(=O)CCNC(=[NH+]C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160003534 436866280 /nfs/dbraw/zinc/86/62/80/436866280.db2.gz PPJCHXRBBQEIND-KBPBESRZSA-N 2 2 341.481 0.776 20 30 ECEDLP CCC(=O)N1CC[C@H](NC(NCc2cn3c([nH+]2)CCCC3)=[NH+]C)C1 ZINC000262010054 436901481 /nfs/dbraw/zinc/90/14/81/436901481.db2.gz WKMAWDPZLQQKPB-ZDUSSCGKSA-N 2 2 332.452 0.895 20 30 ECEDLP N#Cc1cccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000172697730 437025704 /nfs/dbraw/zinc/02/57/04/437025704.db2.gz JATSSEPBJWESIV-QGZVFWFLSA-N 2 2 328.416 0.581 20 30 ECEDLP CN(CC[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](C)CC1 ZINC000177380551 437181712 /nfs/dbraw/zinc/18/17/12/437181712.db2.gz BQORYHZZYWCXBO-SFHVURJKSA-N 2 2 335.496 0.753 20 30 ECEDLP CN(CC[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](C)CC1 ZINC000177380551 437181716 /nfs/dbraw/zinc/18/17/16/437181716.db2.gz BQORYHZZYWCXBO-SFHVURJKSA-N 2 2 335.496 0.753 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000177380551 437181722 /nfs/dbraw/zinc/18/17/22/437181722.db2.gz BQORYHZZYWCXBO-SFHVURJKSA-N 2 2 335.496 0.753 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000177380551 437181726 /nfs/dbraw/zinc/18/17/26/437181726.db2.gz BQORYHZZYWCXBO-SFHVURJKSA-N 2 2 335.496 0.753 20 30 ECEDLP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)[NH+]1CCOCC1 ZINC000328889880 437278262 /nfs/dbraw/zinc/27/82/62/437278262.db2.gz RGMJHLHFWSIGLT-JJXSEGSLSA-N 2 2 340.468 0.415 20 30 ECEDLP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+]1CCOCC1 ZINC000328889880 437278265 /nfs/dbraw/zinc/27/82/65/437278265.db2.gz RGMJHLHFWSIGLT-JJXSEGSLSA-N 2 2 340.468 0.415 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000343776502 437653005 /nfs/dbraw/zinc/65/30/05/437653005.db2.gz YWIZQGSDMXYZPB-UHFFFAOYSA-N 2 2 345.447 0.882 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000343776502 437653010 /nfs/dbraw/zinc/65/30/10/437653010.db2.gz YWIZQGSDMXYZPB-UHFFFAOYSA-N 2 2 345.447 0.882 20 30 ECEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000343894832 437684560 /nfs/dbraw/zinc/68/45/60/437684560.db2.gz SRIVZWJCYUBWPA-UHFFFAOYSA-N 2 2 333.436 0.535 20 30 ECEDLP C[N@@H+]1CCN(C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C(=O)C1 ZINC000374727913 438225352 /nfs/dbraw/zinc/22/53/52/438225352.db2.gz CFLLGCYOCAISKI-SFHVURJKSA-N 2 2 342.443 0.830 20 30 ECEDLP C[N@H+]1CCN(C2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C(=O)C1 ZINC000374727913 438225357 /nfs/dbraw/zinc/22/53/57/438225357.db2.gz CFLLGCYOCAISKI-SFHVURJKSA-N 2 2 342.443 0.830 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378426552 438385736 /nfs/dbraw/zinc/38/57/36/438385736.db2.gz HYGBMWVAHHRDDK-HNNXBMFYSA-N 2 2 337.468 0.099 20 30 ECEDLP C=CCNC(=O)NC(=O)CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378426552 438385739 /nfs/dbraw/zinc/38/57/39/438385739.db2.gz HYGBMWVAHHRDDK-HNNXBMFYSA-N 2 2 337.468 0.099 20 30 ECEDLP C=CCNC(=O)NC(=O)CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378426552 438385742 /nfs/dbraw/zinc/38/57/42/438385742.db2.gz HYGBMWVAHHRDDK-HNNXBMFYSA-N 2 2 337.468 0.099 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000369127018 438428064 /nfs/dbraw/zinc/42/80/64/438428064.db2.gz SXHSSGNGINSRKZ-INIZCTEOSA-N 2 2 348.491 0.391 20 30 ECEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000576822338 438800205 /nfs/dbraw/zinc/80/02/05/438800205.db2.gz BXHFMVDTGQHIFU-ROUUACIJSA-N 2 2 347.459 0.929 20 30 ECEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000576822338 438800208 /nfs/dbraw/zinc/80/02/08/438800208.db2.gz BXHFMVDTGQHIFU-ROUUACIJSA-N 2 2 347.459 0.929 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906766 438885333 /nfs/dbraw/zinc/88/53/33/438885333.db2.gz NIVUZZQWYNPEMS-ZIAGYGMSSA-N 2 2 326.441 0.429 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906766 438885337 /nfs/dbraw/zinc/88/53/37/438885337.db2.gz NIVUZZQWYNPEMS-ZIAGYGMSSA-N 2 2 326.441 0.429 20 30 ECEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000580553222 439103782 /nfs/dbraw/zinc/10/37/82/439103782.db2.gz XOJLCQKNPCCARF-IRXDYDNUSA-N 2 2 333.432 0.998 20 30 ECEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000580553222 439103785 /nfs/dbraw/zinc/10/37/85/439103785.db2.gz XOJLCQKNPCCARF-IRXDYDNUSA-N 2 2 333.432 0.998 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000490760461 439295193 /nfs/dbraw/zinc/29/51/93/439295193.db2.gz LTIGPZHUKOCWRR-MRXNPFEDSA-N 2 2 343.427 0.536 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000490760461 439295197 /nfs/dbraw/zinc/29/51/97/439295197.db2.gz LTIGPZHUKOCWRR-MRXNPFEDSA-N 2 2 343.427 0.536 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2OC)CC1 ZINC000490761750 439296390 /nfs/dbraw/zinc/29/63/90/439296390.db2.gz WJWDRKCYXAWICY-UHFFFAOYSA-N 2 2 329.444 0.947 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2OC)CC1 ZINC000490761750 439296393 /nfs/dbraw/zinc/29/63/93/439296393.db2.gz WJWDRKCYXAWICY-UHFFFAOYSA-N 2 2 329.444 0.947 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(CO)CCOc3ccccc32)CC1 ZINC000491671487 439423312 /nfs/dbraw/zinc/42/33/12/439423312.db2.gz FUHCUESJMCBLAU-IBGZPJMESA-N 2 2 343.427 0.024 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2CCC(=O)NC)CC1 ZINC000491707869 439433578 /nfs/dbraw/zinc/43/35/78/439433578.db2.gz PCPQAIYYGKGLBG-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CCC(=O)NC)CC1 ZINC000491707869 439433584 /nfs/dbraw/zinc/43/35/84/439433584.db2.gz PCPQAIYYGKGLBG-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000491820792 439457165 /nfs/dbraw/zinc/45/71/65/439457165.db2.gz SQWAHJIHUSYBOX-IBGZPJMESA-N 2 2 349.475 0.818 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000491820792 439457167 /nfs/dbraw/zinc/45/71/67/439457167.db2.gz SQWAHJIHUSYBOX-IBGZPJMESA-N 2 2 349.475 0.818 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CCN(CC#N)CC3)C2)CC1 ZINC000609639795 439583258 /nfs/dbraw/zinc/58/32/58/439583258.db2.gz FFHKLKUESKGEMN-INIZCTEOSA-N 2 2 348.495 0.442 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CCN(CC#N)CC3)C2)CC1 ZINC000609639795 439583262 /nfs/dbraw/zinc/58/32/62/439583262.db2.gz FFHKLKUESKGEMN-INIZCTEOSA-N 2 2 348.495 0.442 20 30 ECEDLP C=CCNC(=O)CN1CC[NH+](C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000649411296 440494733 /nfs/dbraw/zinc/49/47/33/440494733.db2.gz FGNZQSKNHYLHGZ-KRWDZBQOSA-N 2 2 346.475 0.657 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000649411296 440494743 /nfs/dbraw/zinc/49/47/43/440494743.db2.gz FGNZQSKNHYLHGZ-KRWDZBQOSA-N 2 2 346.475 0.657 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C[C@@H](O)C[N@H+](C)Cc2ccccc2)nn1 ZINC000641215147 441076854 /nfs/dbraw/zinc/07/68/54/441076854.db2.gz NYSYVYHXKQPDNJ-SFHVURJKSA-N 2 2 327.432 0.884 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)nn1 ZINC000641215147 441076859 /nfs/dbraw/zinc/07/68/59/441076859.db2.gz NYSYVYHXKQPDNJ-SFHVURJKSA-N 2 2 327.432 0.884 20 30 ECEDLP C[NH+]1CCN(c2ncc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)cn2)CC1 ZINC000755813666 579439478 /nfs/dbraw/zinc/43/94/78/579439478.db2.gz GAMJPFTYSGHFMJ-HUUCEWRRSA-N 2 2 342.451 0.422 20 30 ECEDLP N#Cc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)nc1 ZINC000783301269 578741061 /nfs/dbraw/zinc/74/10/61/578741061.db2.gz ULZKFURWKLILEM-UHFFFAOYSA-N 2 2 329.448 0.839 20 30 ECEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)nc1 ZINC000783301269 578741062 /nfs/dbraw/zinc/74/10/62/578741062.db2.gz ULZKFURWKLILEM-UHFFFAOYSA-N 2 2 329.448 0.839 20 30 ECEDLP C[C@@H]1C[NH+]=C(NN=Cc2ccc(C=NNC3=[NH+]C[C@H](C)N3)cc2)N1 ZINC000779791418 579320882 /nfs/dbraw/zinc/32/08/82/579320882.db2.gz CLYDTRXFIXAJPC-TXEJJXNPSA-N 2 2 326.408 0.229 20 30 ECEDLP CN(C)S(=O)(=O)CCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000747838452 579855086 /nfs/dbraw/zinc/85/50/86/579855086.db2.gz CGPCNVNBJDZGOM-UHFFFAOYSA-N 2 2 342.465 0.667 20 30 ECEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC#C[C@H]2CCCCO2)CC1 ZINC000893866311 586364860 /nfs/dbraw/zinc/36/48/60/586364860.db2.gz KQKNPKSYXDJGBE-QGZVFWFLSA-N 2 2 336.480 0.884 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(C#CCO)c3)C2)CC1 ZINC000900672265 586654235 /nfs/dbraw/zinc/65/42/35/586654235.db2.gz BBSQNWZJDJINBL-SFHVURJKSA-N 2 2 341.455 0.929 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(C#CCO)c3)C2)CC1 ZINC000900672265 586654236 /nfs/dbraw/zinc/65/42/36/586654236.db2.gz BBSQNWZJDJINBL-SFHVURJKSA-N 2 2 341.455 0.929 20 30 ECEDLP NC(=[NH+]OCCO[C@H]1CCOC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902703430 586755069 /nfs/dbraw/zinc/75/50/69/586755069.db2.gz KJXMHBFSTPWBTD-KRWDZBQOSA-N 2 2 349.431 0.961 20 30 ECEDLP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)cc2)CC1 ZINC000844195699 589102329 /nfs/dbraw/zinc/10/23/29/589102329.db2.gz YCBVOZGFPGKZCI-SJORKVTESA-N 2 2 327.432 0.275 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000888683280 590344915 /nfs/dbraw/zinc/34/49/15/590344915.db2.gz CPEXAZPHQFAXTJ-MRXNPFEDSA-N 3 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000888683280 590344918 /nfs/dbraw/zinc/34/49/18/590344918.db2.gz CPEXAZPHQFAXTJ-MRXNPFEDSA-N 3 2 335.496 0.409 20 30 ECEDLP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](CCc2cnccn2)CC1 ZINC000877220844 590445843 /nfs/dbraw/zinc/44/58/43/590445843.db2.gz KRYZTDZBEVLRNK-UHFFFAOYSA-N 2 2 327.432 0.166 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000884183797 590765999 /nfs/dbraw/zinc/76/59/99/590765999.db2.gz XMRMCGMZZRCPEN-MCIONIFRSA-N 2 2 327.425 0.049 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)CC1 ZINC000886799317 590883796 /nfs/dbraw/zinc/88/37/96/590883796.db2.gz PNVYGVNPIFFDDK-CQSZACIVSA-N 2 2 333.354 0.011 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)CC1 ZINC000886799317 590883797 /nfs/dbraw/zinc/88/37/97/590883797.db2.gz PNVYGVNPIFFDDK-CQSZACIVSA-N 2 2 333.354 0.011 20 30 ECEDLP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000949326195 608635748 /nfs/dbraw/zinc/63/57/48/608635748.db2.gz HDBGJOKUKKONNL-MRXNPFEDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000949326195 608635752 /nfs/dbraw/zinc/63/57/52/608635752.db2.gz HDBGJOKUKKONNL-MRXNPFEDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC000949326195 608635759 /nfs/dbraw/zinc/63/57/59/608635759.db2.gz HDBGJOKUKKONNL-MRXNPFEDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC000949326195 608635764 /nfs/dbraw/zinc/63/57/64/608635764.db2.gz HDBGJOKUKKONNL-MRXNPFEDSA-N 2 2 337.464 0.587 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)C1 ZINC000941636846 610422984 /nfs/dbraw/zinc/42/29/84/610422984.db2.gz WFTWUQCGCDVNEB-ROUUACIJSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000942514986 610494647 /nfs/dbraw/zinc/49/46/47/610494647.db2.gz MAIVPRZKEOZWAR-OAHLLOKOSA-N 2 2 343.431 0.015 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC000981957208 751340094 /nfs/dbraw/zinc/34/00/94/751340094.db2.gz GDAKMBHMPAZVGL-SJORKVTESA-N 2 2 348.491 0.649 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC000981957208 751340100 /nfs/dbraw/zinc/34/01/00/751340100.db2.gz GDAKMBHMPAZVGL-SJORKVTESA-N 2 2 348.491 0.649 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1=O ZINC000981957208 751340105 /nfs/dbraw/zinc/34/01/05/751340105.db2.gz GDAKMBHMPAZVGL-SJORKVTESA-N 2 2 348.491 0.649 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1=O ZINC000981957208 751340110 /nfs/dbraw/zinc/34/01/10/751340110.db2.gz GDAKMBHMPAZVGL-SJORKVTESA-N 2 2 348.491 0.649 20 30 ECEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000970198463 733180739 /nfs/dbraw/zinc/18/07/39/733180739.db2.gz LBYFBPOFFGLZFL-OIISXLGYSA-N 2 2 337.464 0.489 20 30 ECEDLP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422087 734211001 /nfs/dbraw/zinc/21/10/01/734211001.db2.gz IDEYSTQYGBDZQF-CQSZACIVSA-N 2 2 345.447 0.214 20 30 ECEDLP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422087 734211004 /nfs/dbraw/zinc/21/10/04/734211004.db2.gz IDEYSTQYGBDZQF-CQSZACIVSA-N 2 2 345.447 0.214 20 30 ECEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000261726224 734285016 /nfs/dbraw/zinc/28/50/16/734285016.db2.gz CPNJBZMUNALOFC-UHFFFAOYSA-N 2 2 333.436 0.709 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC000971703712 734965059 /nfs/dbraw/zinc/96/50/59/734965059.db2.gz MBGSIHDICTYCPY-IRXDYDNUSA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC000971703712 734965062 /nfs/dbraw/zinc/96/50/62/734965062.db2.gz MBGSIHDICTYCPY-IRXDYDNUSA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ccn(C)n2)C1 ZINC000971703712 734965065 /nfs/dbraw/zinc/96/50/65/734965065.db2.gz MBGSIHDICTYCPY-IRXDYDNUSA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2ccn(C)n2)C1 ZINC000971703712 734965066 /nfs/dbraw/zinc/96/50/66/734965066.db2.gz MBGSIHDICTYCPY-IRXDYDNUSA-N 2 2 329.448 0.550 20 30 ECEDLP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972432153 736182822 /nfs/dbraw/zinc/18/28/22/736182822.db2.gz YUOXOZVXGHHOPD-NUJGCVRESA-N 2 2 337.464 0.585 20 30 ECEDLP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972432153 736182825 /nfs/dbraw/zinc/18/28/25/736182825.db2.gz YUOXOZVXGHHOPD-NUJGCVRESA-N 2 2 337.464 0.585 20 30 ECEDLP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972432153 736182829 /nfs/dbraw/zinc/18/28/29/736182829.db2.gz YUOXOZVXGHHOPD-NUJGCVRESA-N 2 2 337.464 0.585 20 30 ECEDLP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972432153 736182830 /nfs/dbraw/zinc/18/28/30/736182830.db2.gz YUOXOZVXGHHOPD-NUJGCVRESA-N 2 2 337.464 0.585 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972520762 736550196 /nfs/dbraw/zinc/55/01/96/736550196.db2.gz SXAQLSJPSPKEHV-MJGOQNOKSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972520762 736550197 /nfs/dbraw/zinc/55/01/97/736550197.db2.gz SXAQLSJPSPKEHV-MJGOQNOKSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972520762 736550198 /nfs/dbraw/zinc/55/01/98/736550198.db2.gz SXAQLSJPSPKEHV-MJGOQNOKSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972520762 736550199 /nfs/dbraw/zinc/55/01/99/736550199.db2.gz SXAQLSJPSPKEHV-MJGOQNOKSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023502916 736928369 /nfs/dbraw/zinc/92/83/69/736928369.db2.gz KAWIXEXUZBGLJI-KSZLIROESA-N 2 2 349.475 0.328 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023502916 736928377 /nfs/dbraw/zinc/92/83/77/736928377.db2.gz KAWIXEXUZBGLJI-KSZLIROESA-N 2 2 349.475 0.328 20 30 ECEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C[C@H](C)O2 ZINC001098578462 737070225 /nfs/dbraw/zinc/07/02/25/737070225.db2.gz VGQYGVHECGBGMQ-DLBZAZTESA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nncs2)C1 ZINC001024022511 737627839 /nfs/dbraw/zinc/62/78/39/737627839.db2.gz ZXYWPOBVENTGEB-GJZGRUSLSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nncs2)C1 ZINC001024022511 737627840 /nfs/dbraw/zinc/62/78/40/737627840.db2.gz ZXYWPOBVENTGEB-GJZGRUSLSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000973366126 739150517 /nfs/dbraw/zinc/15/05/17/739150517.db2.gz ZCQDWJQZFIAPAO-SHTZXODSSA-N 2 2 343.431 0.061 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](C)OC2(CC[NH+](CC#C)CC2)C1 ZINC001098604771 740171232 /nfs/dbraw/zinc/17/12/32/740171232.db2.gz ACVFSBPLHLBAFQ-ROUUACIJSA-N 2 2 343.471 0.799 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C)OC2(CC[NH+](CC#C)CC2)C1 ZINC001098604771 740171236 /nfs/dbraw/zinc/17/12/36/740171236.db2.gz ACVFSBPLHLBAFQ-ROUUACIJSA-N 2 2 343.471 0.799 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105105541 741362381 /nfs/dbraw/zinc/36/23/81/741362381.db2.gz VNZRGGIGXXHMHH-BZUAXINKSA-N 2 2 347.463 0.648 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105240616 741534100 /nfs/dbraw/zinc/53/41/00/741534100.db2.gz UMUIEVAZACSZJN-KRWDZBQOSA-N 2 2 344.463 0.647 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC001105240616 741534104 /nfs/dbraw/zinc/53/41/04/741534104.db2.gz UMUIEVAZACSZJN-KRWDZBQOSA-N 2 2 344.463 0.647 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001026879886 742016583 /nfs/dbraw/zinc/01/65/83/742016583.db2.gz DIDKRRRLVWKHKD-HOCLYGCPSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001026879886 742016589 /nfs/dbraw/zinc/01/65/89/742016589.db2.gz DIDKRRRLVWKHKD-HOCLYGCPSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001167895147 751771565 /nfs/dbraw/zinc/77/15/65/751771565.db2.gz WBDUGEOOJXLLBJ-UHFFFAOYSA-N 2 2 333.436 0.439 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112536006 745299442 /nfs/dbraw/zinc/29/94/42/745299442.db2.gz LRJXHWCNTYQCLS-KSSFIOAISA-N 2 2 345.447 0.473 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH+]ccc3N(C)C)C2)nn1 ZINC001105360771 752004853 /nfs/dbraw/zinc/00/48/53/752004853.db2.gz HJFCTMWNVLTXEF-UHFFFAOYSA-N 2 2 339.403 0.159 20 30 ECEDLP CN(C)C(=O)CNC(NC1CCN(c2cccc[nH+]2)CC1)=[NH+]C1CC1 ZINC000262241665 746577501 /nfs/dbraw/zinc/57/75/01/746577501.db2.gz AFFMCPFQEWNNJM-UHFFFAOYSA-N 2 2 344.463 0.836 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001098711456 746763510 /nfs/dbraw/zinc/76/35/10/746763510.db2.gz VDYGOCPKQIJHRY-MRXNPFEDSA-N 2 2 332.452 0.506 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nnc(C)o2)C1 ZINC001029758477 748272218 /nfs/dbraw/zinc/27/22/18/748272218.db2.gz ZBKUSNXORININZ-CVEARBPZSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2nnc(C)o2)C1 ZINC001029758477 748272223 /nfs/dbraw/zinc/27/22/23/748272223.db2.gz ZBKUSNXORININZ-CVEARBPZSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2nnc(C)o2)C1 ZINC001029758477 748272228 /nfs/dbraw/zinc/27/22/28/748272228.db2.gz ZBKUSNXORININZ-CVEARBPZSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2nnc(C)o2)C1 ZINC001029758477 748272231 /nfs/dbraw/zinc/27/22/31/748272231.db2.gz ZBKUSNXORININZ-CVEARBPZSA-N 2 2 345.447 0.756 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC000980268409 749278918 /nfs/dbraw/zinc/27/89/18/749278918.db2.gz GRZGUTIVVRHNAQ-HOCLYGCPSA-N 2 2 345.447 0.580 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC000980268409 749278922 /nfs/dbraw/zinc/27/89/22/749278922.db2.gz GRZGUTIVVRHNAQ-HOCLYGCPSA-N 2 2 345.447 0.580 20 30 ECEDLP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262746954 749621336 /nfs/dbraw/zinc/62/13/36/749621336.db2.gz AQAUMDJAEPNRAN-XJKSGUPXSA-N 3 2 325.526 0.825 20 30 ECEDLP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262746954 749621345 /nfs/dbraw/zinc/62/13/45/749621345.db2.gz AQAUMDJAEPNRAN-XJKSGUPXSA-N 2 2 325.526 0.825 20 30 ECEDLP C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262746954 749621351 /nfs/dbraw/zinc/62/13/51/749621351.db2.gz AQAUMDJAEPNRAN-XJKSGUPXSA-N 2 2 325.526 0.825 20 30 ECEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001212070916 752470466 /nfs/dbraw/zinc/47/04/66/752470466.db2.gz CPHVSCDUOJTYKV-BRWVUGGUSA-N 2 2 339.480 0.879 20 30 ECEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001212070916 752470472 /nfs/dbraw/zinc/47/04/72/752470472.db2.gz CPHVSCDUOJTYKV-BRWVUGGUSA-N 2 2 339.480 0.879 20 30 ECEDLP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001212070916 752470480 /nfs/dbraw/zinc/47/04/80/752470480.db2.gz CPHVSCDUOJTYKV-BRWVUGGUSA-N 2 2 339.480 0.879 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001007952623 753121721 /nfs/dbraw/zinc/12/17/21/753121721.db2.gz MYTCNJOXZUQSIH-HZPDHXFCSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001007952623 753121722 /nfs/dbraw/zinc/12/17/22/753121722.db2.gz MYTCNJOXZUQSIH-HZPDHXFCSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001167942327 754008905 /nfs/dbraw/zinc/00/89/05/754008905.db2.gz JWMDYPKGXIHZCB-UHFFFAOYSA-N 2 2 347.463 0.531 20 30 ECEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105656813 755207463 /nfs/dbraw/zinc/20/74/63/755207463.db2.gz UEYXKWZXHSKOFK-PSBWJHGTSA-N 2 2 344.459 0.942 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC001083535683 755975003 /nfs/dbraw/zinc/97/50/03/755975003.db2.gz FWUSJFRTEICHBR-SQNIBIBYSA-N 2 2 327.428 0.446 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1O ZINC001083535683 755975007 /nfs/dbraw/zinc/97/50/07/755975007.db2.gz FWUSJFRTEICHBR-SQNIBIBYSA-N 2 2 327.428 0.446 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1O ZINC001083535683 755975011 /nfs/dbraw/zinc/97/50/11/755975011.db2.gz FWUSJFRTEICHBR-SQNIBIBYSA-N 2 2 327.428 0.446 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1O ZINC001083535683 755975015 /nfs/dbraw/zinc/97/50/15/755975015.db2.gz FWUSJFRTEICHBR-SQNIBIBYSA-N 2 2 327.428 0.446 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436671 756135095 /nfs/dbraw/zinc/13/50/95/756135095.db2.gz RFJYUWKHCHEHIZ-IAGOWNOFSA-N 2 2 328.416 0.579 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436671 756135098 /nfs/dbraw/zinc/13/50/98/756135098.db2.gz RFJYUWKHCHEHIZ-IAGOWNOFSA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436671 756135100 /nfs/dbraw/zinc/13/51/00/756135100.db2.gz RFJYUWKHCHEHIZ-IAGOWNOFSA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436671 756135102 /nfs/dbraw/zinc/13/51/02/756135102.db2.gz RFJYUWKHCHEHIZ-IAGOWNOFSA-N 2 2 328.416 0.579 20 30 ECEDLP C=CC[NH+]1CC(n2cc(CNC(=O)CC[C@H]3CCC[N@H+]3C)nn2)C1 ZINC001107180432 757301186 /nfs/dbraw/zinc/30/11/86/757301186.db2.gz RLPIJHXUDIJBSA-OAHLLOKOSA-N 2 2 332.452 0.811 20 30 ECEDLP C=CC[NH+]1CC(n2cc(CNC(=O)CC[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107180432 757301193 /nfs/dbraw/zinc/30/11/93/757301193.db2.gz RLPIJHXUDIJBSA-OAHLLOKOSA-N 2 2 332.452 0.811 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)CC[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC001107180546 757301229 /nfs/dbraw/zinc/30/12/29/757301229.db2.gz YOJYMCBWIZNJAN-INIZCTEOSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107180546 757301242 /nfs/dbraw/zinc/30/12/42/757301242.db2.gz YOJYMCBWIZNJAN-INIZCTEOSA-N 2 2 344.463 0.649 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)C1=O ZINC000996457230 757731681 /nfs/dbraw/zinc/73/16/81/757731681.db2.gz OFZUXYZBYWUWRK-KBPBESRZSA-N 2 2 345.447 0.566 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)CC3CC[NH+](C)CC3)nn2)C1 ZINC001107217670 757824193 /nfs/dbraw/zinc/82/41/93/757824193.db2.gz VBMMWZSUTXFFNO-UHFFFAOYSA-N 2 2 344.463 0.506 20 30 ECEDLP C=CCC[NH+]1CC(n2cc(CNC(=O)Cn3cc[nH+]c3C)nn2)C1 ZINC001107236352 758026938 /nfs/dbraw/zinc/02/69/38/758026938.db2.gz WTPPDYNHHJOKPY-UHFFFAOYSA-N 2 2 329.408 0.532 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1 ZINC001021927965 758074618 /nfs/dbraw/zinc/07/46/18/758074618.db2.gz KDGMCLWQVRELLL-HLLBOEOZSA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1 ZINC001021927965 758074627 /nfs/dbraw/zinc/07/46/27/758074627.db2.gz KDGMCLWQVRELLL-HLLBOEOZSA-N 2 2 346.406 0.765 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnc(CC)[nH]2)C1 ZINC001022220422 758439327 /nfs/dbraw/zinc/43/93/27/758439327.db2.gz CCWATJOFDWSTNJ-KBXIAJHMSA-N 2 2 344.463 0.763 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnc(CC)[nH]2)C1 ZINC001022220422 758439333 /nfs/dbraw/zinc/43/93/33/758439333.db2.gz CCWATJOFDWSTNJ-KBXIAJHMSA-N 2 2 344.463 0.763 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cc(C)no3)C2)CC1 ZINC001032204641 759602490 /nfs/dbraw/zinc/60/24/90/759602490.db2.gz AXDGVAWXHOWRFT-UHFFFAOYSA-N 2 2 330.432 0.876 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cc(OC)no3)C2)CC1 ZINC001032207409 759642494 /nfs/dbraw/zinc/64/24/94/759642494.db2.gz QBEJMYJUECPQSI-UHFFFAOYSA-N 2 2 346.431 0.576 20 30 ECEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)cc2C1 ZINC001054269932 767885250 /nfs/dbraw/zinc/88/52/50/767885250.db2.gz VOUBPCILQBPEJG-RDTXWAMCSA-N 2 2 327.428 0.971 20 30 ECEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)cc2C1 ZINC001054269932 767885257 /nfs/dbraw/zinc/88/52/57/767885257.db2.gz VOUBPCILQBPEJG-RDTXWAMCSA-N 2 2 327.428 0.971 20 30 ECEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)cc2C1 ZINC001054269932 767885265 /nfs/dbraw/zinc/88/52/65/767885265.db2.gz VOUBPCILQBPEJG-RDTXWAMCSA-N 2 2 327.428 0.971 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2C[C@@H](C)OC)CC1 ZINC001051256084 761776083 /nfs/dbraw/zinc/77/60/83/761776083.db2.gz UOZLRSVTEDHMTL-WBVHZDCISA-N 2 2 337.464 0.184 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2C[C@@H](C)OC)CC1 ZINC001051256084 761776092 /nfs/dbraw/zinc/77/60/92/761776092.db2.gz UOZLRSVTEDHMTL-WBVHZDCISA-N 2 2 337.464 0.184 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001014777529 763137601 /nfs/dbraw/zinc/13/76/01/763137601.db2.gz YBEUPZHCJPZHKZ-MOPGFXCFSA-N 2 2 341.455 0.967 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001014777529 763137608 /nfs/dbraw/zinc/13/76/08/763137608.db2.gz YBEUPZHCJPZHKZ-MOPGFXCFSA-N 2 2 341.455 0.967 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001014777529 763137618 /nfs/dbraw/zinc/13/76/18/763137618.db2.gz YBEUPZHCJPZHKZ-MOPGFXCFSA-N 2 2 341.455 0.967 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001014777529 763137624 /nfs/dbraw/zinc/13/76/24/763137624.db2.gz YBEUPZHCJPZHKZ-MOPGFXCFSA-N 2 2 341.455 0.967 20 30 ECEDLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(=O)NCC#N ZINC001098976991 763234781 /nfs/dbraw/zinc/23/47/81/763234781.db2.gz YNFIMUQHHXRYDY-CABCVRRESA-N 2 2 349.479 0.327 20 30 ECEDLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CC(=O)NCC#N ZINC001098976991 763234789 /nfs/dbraw/zinc/23/47/89/763234789.db2.gz YNFIMUQHHXRYDY-CABCVRRESA-N 2 2 349.479 0.327 20 30 ECEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=O)NCC#N ZINC001098976991 763234795 /nfs/dbraw/zinc/23/47/95/763234795.db2.gz YNFIMUQHHXRYDY-CABCVRRESA-N 2 2 349.479 0.327 20 30 ECEDLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=O)NCC#N ZINC001098976991 763234802 /nfs/dbraw/zinc/23/48/02/763234802.db2.gz YNFIMUQHHXRYDY-CABCVRRESA-N 2 2 349.479 0.327 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052026248 763618421 /nfs/dbraw/zinc/61/84/21/763618421.db2.gz COWCPWHBFAIJLI-QZTJIDSGSA-N 2 2 330.476 0.180 20 30 ECEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052028933 763625252 /nfs/dbraw/zinc/62/52/52/763625252.db2.gz VAMMDMPJKUNOPQ-RBUKOAKNSA-N 2 2 344.503 0.570 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CC=C)CC2)C1 ZINC001052037288 763654069 /nfs/dbraw/zinc/65/40/69/763654069.db2.gz JWDAABBWNQCLEN-ROUUACIJSA-N 2 2 330.476 0.489 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CC=C)CC2)C1 ZINC001052037288 763654071 /nfs/dbraw/zinc/65/40/71/763654071.db2.gz JWDAABBWNQCLEN-ROUUACIJSA-N 2 2 330.476 0.489 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081452 763799300 /nfs/dbraw/zinc/79/93/00/763799300.db2.gz BQHNFTIKSOFSMF-MSOLQXFVSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081452 763799305 /nfs/dbraw/zinc/79/93/05/763799305.db2.gz BQHNFTIKSOFSMF-MSOLQXFVSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081452 763799310 /nfs/dbraw/zinc/79/93/10/763799310.db2.gz BQHNFTIKSOFSMF-MSOLQXFVSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081452 763799313 /nfs/dbraw/zinc/79/93/13/763799313.db2.gz BQHNFTIKSOFSMF-MSOLQXFVSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107935 763888401 /nfs/dbraw/zinc/88/84/01/763888401.db2.gz IAOFESISDZHWLF-MSOLQXFVSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107935 763888410 /nfs/dbraw/zinc/88/84/10/763888410.db2.gz IAOFESISDZHWLF-MSOLQXFVSA-N 2 2 332.492 0.570 20 30 ECEDLP C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117079 763926429 /nfs/dbraw/zinc/92/64/29/763926429.db2.gz FSMOXGQLKRUJRS-JKSUJKDBSA-N 2 2 340.899 0.909 20 30 ECEDLP C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117079 763926438 /nfs/dbraw/zinc/92/64/38/763926438.db2.gz FSMOXGQLKRUJRS-JKSUJKDBSA-N 2 2 340.899 0.909 20 30 ECEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052118292 763931470 /nfs/dbraw/zinc/93/14/70/763931470.db2.gz BMJQKQIFEVEXAV-SJORKVTESA-N 2 2 333.480 0.603 20 30 ECEDLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052118292 763931477 /nfs/dbraw/zinc/93/14/77/763931477.db2.gz BMJQKQIFEVEXAV-SJORKVTESA-N 2 2 333.480 0.603 20 30 ECEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052118291 763932254 /nfs/dbraw/zinc/93/22/54/763932254.db2.gz BMJQKQIFEVEXAV-IRXDYDNUSA-N 2 2 333.480 0.603 20 30 ECEDLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052118291 763932263 /nfs/dbraw/zinc/93/22/63/763932263.db2.gz BMJQKQIFEVEXAV-IRXDYDNUSA-N 2 2 333.480 0.603 20 30 ECEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001047388104 764186238 /nfs/dbraw/zinc/18/62/38/764186238.db2.gz CXLOOXZHNIMGTK-IKGGRYGDSA-N 2 2 347.463 0.870 20 30 ECEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001047388104 764186245 /nfs/dbraw/zinc/18/62/45/764186245.db2.gz CXLOOXZHNIMGTK-IKGGRYGDSA-N 2 2 347.463 0.870 20 30 ECEDLP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001047388104 764186251 /nfs/dbraw/zinc/18/62/51/764186251.db2.gz CXLOOXZHNIMGTK-IKGGRYGDSA-N 2 2 347.463 0.870 20 30 ECEDLP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001047388104 764186261 /nfs/dbraw/zinc/18/62/61/764186261.db2.gz CXLOOXZHNIMGTK-IKGGRYGDSA-N 2 2 347.463 0.870 20 30 ECEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083778242 764244996 /nfs/dbraw/zinc/24/49/96/764244996.db2.gz GMDWAWKWWPWAKW-OLMNPRSZSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083778242 764244998 /nfs/dbraw/zinc/24/49/98/764244998.db2.gz GMDWAWKWWPWAKW-OLMNPRSZSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083778242 764245001 /nfs/dbraw/zinc/24/50/01/764245001.db2.gz GMDWAWKWWPWAKW-OLMNPRSZSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083778242 764245005 /nfs/dbraw/zinc/24/50/05/764245005.db2.gz GMDWAWKWWPWAKW-OLMNPRSZSA-N 2 2 342.443 0.704 20 30 ECEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107011536 764664680 /nfs/dbraw/zinc/66/46/80/764664680.db2.gz GHRNCKNAWNJIJO-KBAYOESNSA-N 2 2 333.476 0.805 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001015901108 765516122 /nfs/dbraw/zinc/51/61/22/765516122.db2.gz ZAVYZJSMGNWZLA-DLBZAZTESA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001015901108 765516125 /nfs/dbraw/zinc/51/61/25/765516125.db2.gz ZAVYZJSMGNWZLA-DLBZAZTESA-N 2 2 348.491 0.696 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)O2 ZINC001053617738 766443144 /nfs/dbraw/zinc/44/31/44/766443144.db2.gz GDENQPCPKXNQJH-BZUAXINKSA-N 2 2 337.464 0.631 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)O2 ZINC001053617738 766443152 /nfs/dbraw/zinc/44/31/52/766443152.db2.gz GDENQPCPKXNQJH-BZUAXINKSA-N 2 2 337.464 0.631 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1)O2 ZINC001053649515 766511178 /nfs/dbraw/zinc/51/11/78/766511178.db2.gz OBEBNCHXRLNDFV-IAGOWNOFSA-N 2 2 349.475 0.469 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649515 766511182 /nfs/dbraw/zinc/51/11/82/766511182.db2.gz OBEBNCHXRLNDFV-IAGOWNOFSA-N 2 2 349.475 0.469 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)O2 ZINC001053675459 766558147 /nfs/dbraw/zinc/55/81/47/766558147.db2.gz NTTUDKRMXPMCDW-MRXNPFEDSA-N 2 2 347.463 0.594 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046046786 766775709 /nfs/dbraw/zinc/77/57/09/766775709.db2.gz DJIPDCHOIDDDDG-QGZVFWFLSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046046786 766775715 /nfs/dbraw/zinc/77/57/15/766775715.db2.gz DJIPDCHOIDDDDG-QGZVFWFLSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046069667 766870286 /nfs/dbraw/zinc/87/02/86/766870286.db2.gz JRAPZQLCWWLIOM-FUHWJXTLSA-N 2 2 343.475 0.830 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046069667 766870296 /nfs/dbraw/zinc/87/02/96/766870296.db2.gz JRAPZQLCWWLIOM-FUHWJXTLSA-N 2 2 343.475 0.830 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046069667 766870307 /nfs/dbraw/zinc/87/03/07/766870307.db2.gz JRAPZQLCWWLIOM-FUHWJXTLSA-N 2 2 343.475 0.830 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046069667 766870317 /nfs/dbraw/zinc/87/03/17/766870317.db2.gz JRAPZQLCWWLIOM-FUHWJXTLSA-N 2 2 343.475 0.830 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001046080281 766916627 /nfs/dbraw/zinc/91/66/27/766916627.db2.gz DZNVBLRSEIXNOX-INIZCTEOSA-N 2 2 329.448 0.502 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001046080281 766916633 /nfs/dbraw/zinc/91/66/33/766916633.db2.gz DZNVBLRSEIXNOX-INIZCTEOSA-N 2 2 329.448 0.502 20 30 ECEDLP N#CCN1CC[C@H]([NH+]2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001046085669 766927127 /nfs/dbraw/zinc/92/71/27/766927127.db2.gz IRHLNURMYAWOMP-KRWDZBQOSA-N 2 2 333.480 0.604 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCn2cc(Cl)cn2)C1 ZINC001031741238 766989469 /nfs/dbraw/zinc/98/94/69/766989469.db2.gz UEUIJGFNFBSSRH-INIZCTEOSA-N 2 2 349.866 0.682 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCn2cc(Cl)cn2)C1 ZINC001031741238 766989476 /nfs/dbraw/zinc/98/94/76/766989476.db2.gz UEUIJGFNFBSSRH-INIZCTEOSA-N 2 2 349.866 0.682 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875456 767111909 /nfs/dbraw/zinc/11/19/09/767111909.db2.gz DADCHQDQHAZMOX-NDUQDZPOSA-N 2 2 347.459 0.385 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875456 767111912 /nfs/dbraw/zinc/11/19/12/767111912.db2.gz DADCHQDQHAZMOX-NDUQDZPOSA-N 2 2 347.459 0.385 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001031777211 767187172 /nfs/dbraw/zinc/18/71/72/767187172.db2.gz YRRXJTNOFFLWIH-HOTGVXAUSA-N 2 2 334.464 0.306 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001031777211 767187173 /nfs/dbraw/zinc/18/71/73/767187173.db2.gz YRRXJTNOFFLWIH-HOTGVXAUSA-N 2 2 334.464 0.306 20 30 ECEDLP C#CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001054043785 767642510 /nfs/dbraw/zinc/64/25/10/767642510.db2.gz KEJJETMAUDQVGZ-ATZDWAIDSA-N 2 2 341.455 0.882 20 30 ECEDLP C#CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001054043785 767642514 /nfs/dbraw/zinc/64/25/14/767642514.db2.gz KEJJETMAUDQVGZ-ATZDWAIDSA-N 2 2 341.455 0.882 20 30 ECEDLP C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001054043785 767642518 /nfs/dbraw/zinc/64/25/18/767642518.db2.gz KEJJETMAUDQVGZ-ATZDWAIDSA-N 2 2 341.455 0.882 20 30 ECEDLP C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001054043785 767642519 /nfs/dbraw/zinc/64/25/19/767642519.db2.gz KEJJETMAUDQVGZ-ATZDWAIDSA-N 2 2 341.455 0.882 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(CC)no2)C1 ZINC001018985427 770482336 /nfs/dbraw/zinc/48/23/36/770482336.db2.gz RWTXPFCECMHZTP-KKUMJFAQSA-N 2 2 345.447 0.981 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nc(CC)no2)C1 ZINC001018985427 770482338 /nfs/dbraw/zinc/48/23/38/770482338.db2.gz RWTXPFCECMHZTP-KKUMJFAQSA-N 2 2 345.447 0.981 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001018985874 770483644 /nfs/dbraw/zinc/48/36/44/770483644.db2.gz JXMQGZRIJSQOJZ-GJZGRUSLSA-N 2 2 348.426 0.036 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2CCF)C1 ZINC001018985874 770483651 /nfs/dbraw/zinc/48/36/51/770483651.db2.gz JXMQGZRIJSQOJZ-GJZGRUSLSA-N 2 2 348.426 0.036 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1 ZINC001018986075 770484995 /nfs/dbraw/zinc/48/49/95/770484995.db2.gz QQGVPBIKQPYZDL-GJZGRUSLSA-N 2 2 344.463 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1 ZINC001018986075 770485006 /nfs/dbraw/zinc/48/50/06/770485006.db2.gz QQGVPBIKQPYZDL-GJZGRUSLSA-N 2 2 344.463 0.716 20 30 ECEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102491 790613243 /nfs/dbraw/zinc/61/32/43/790613243.db2.gz NQKFLLSQURGAEY-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102491 790613252 /nfs/dbraw/zinc/61/32/52/790613252.db2.gz NQKFLLSQURGAEY-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102491 790613258 /nfs/dbraw/zinc/61/32/58/790613258.db2.gz NQKFLLSQURGAEY-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102491 790613267 /nfs/dbraw/zinc/61/32/67/790613267.db2.gz NQKFLLSQURGAEY-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077679039 781491910 /nfs/dbraw/zinc/49/19/10/781491910.db2.gz FKUHBSPSGDMEDI-BMGDILEWSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077679039 781491921 /nfs/dbraw/zinc/49/19/21/781491921.db2.gz FKUHBSPSGDMEDI-BMGDILEWSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077679039 781491927 /nfs/dbraw/zinc/49/19/27/781491927.db2.gz FKUHBSPSGDMEDI-BMGDILEWSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077679039 781491936 /nfs/dbraw/zinc/49/19/36/781491936.db2.gz FKUHBSPSGDMEDI-BMGDILEWSA-N 2 2 342.443 0.561 20 30 ECEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2c1nnc(C)[nH]1 ZINC001070445664 784098178 /nfs/dbraw/zinc/09/81/78/784098178.db2.gz HTCIZGOKIMBJST-LSDHHAIUSA-N 2 2 344.463 0.314 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCC=C)CC1 ZINC001070970388 784268784 /nfs/dbraw/zinc/26/87/84/784268784.db2.gz BXHXTRMPRIMAKL-KRWDZBQOSA-N 2 2 346.475 0.311 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CCC=C)CC1 ZINC001070970388 784268789 /nfs/dbraw/zinc/26/87/89/784268789.db2.gz BXHXTRMPRIMAKL-KRWDZBQOSA-N 2 2 346.475 0.311 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[NH+](CCC=C)CC1 ZINC001070970388 784268794 /nfs/dbraw/zinc/26/87/94/784268794.db2.gz BXHXTRMPRIMAKL-KRWDZBQOSA-N 2 2 346.475 0.311 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[NH+](CCC=C)CC1 ZINC001070970388 784268802 /nfs/dbraw/zinc/26/88/02/784268802.db2.gz BXHXTRMPRIMAKL-KRWDZBQOSA-N 2 2 346.475 0.311 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[NH+](CC2CC2)CC1 ZINC001070970743 784270656 /nfs/dbraw/zinc/27/06/56/784270656.db2.gz VGGCRLIMNHNXBQ-KRWDZBQOSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[NH+](CC2CC2)CC1 ZINC001070970743 784270662 /nfs/dbraw/zinc/27/06/62/784270662.db2.gz VGGCRLIMNHNXBQ-KRWDZBQOSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CC2CC2)CC1 ZINC001070970743 784270668 /nfs/dbraw/zinc/27/06/68/784270668.db2.gz VGGCRLIMNHNXBQ-KRWDZBQOSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CC2CC2)CC1 ZINC001070970743 784270671 /nfs/dbraw/zinc/27/06/71/784270671.db2.gz VGGCRLIMNHNXBQ-KRWDZBQOSA-N 2 2 346.475 0.145 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001070998749 784365174 /nfs/dbraw/zinc/36/51/74/784365174.db2.gz QYIXNYPQBGPBAS-MRXNPFEDSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001070998749 784365188 /nfs/dbraw/zinc/36/51/88/784365188.db2.gz QYIXNYPQBGPBAS-MRXNPFEDSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001070998749 784365199 /nfs/dbraw/zinc/36/51/99/784365199.db2.gz QYIXNYPQBGPBAS-MRXNPFEDSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001070998749 784365209 /nfs/dbraw/zinc/36/52/09/784365209.db2.gz QYIXNYPQBGPBAS-MRXNPFEDSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001070632415 784466254 /nfs/dbraw/zinc/46/62/54/784466254.db2.gz XHJMFGCWDOWOSU-INMHGKMJSA-N 2 2 347.463 0.211 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001070632415 784466257 /nfs/dbraw/zinc/46/62/57/784466257.db2.gz XHJMFGCWDOWOSU-INMHGKMJSA-N 2 2 347.463 0.211 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001070710525 784579603 /nfs/dbraw/zinc/57/96/03/784579603.db2.gz FKYNJLWYJJWWPV-HZPDHXFCSA-N 2 2 342.447 0.856 20 30 ECEDLP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@H](C)O2 ZINC001071195146 784712398 /nfs/dbraw/zinc/71/23/98/784712398.db2.gz SIZBPUNBGJQWMH-FUHWJXTLSA-N 2 2 330.432 0.988 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@H](C)O2 ZINC001071195146 784712404 /nfs/dbraw/zinc/71/24/04/784712404.db2.gz SIZBPUNBGJQWMH-FUHWJXTLSA-N 2 2 330.432 0.988 20 30 ECEDLP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)O2 ZINC001071234309 784800303 /nfs/dbraw/zinc/80/03/03/784800303.db2.gz WZNROJCWSYWMHM-KDOFPFPSSA-N 2 2 330.432 0.976 20 30 ECEDLP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)O2 ZINC001071234309 784800312 /nfs/dbraw/zinc/80/03/12/784800312.db2.gz WZNROJCWSYWMHM-KDOFPFPSSA-N 2 2 330.432 0.976 20 30 ECEDLP C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C(=O)C1 ZINC001071267611 784893636 /nfs/dbraw/zinc/89/36/36/784893636.db2.gz MLYRUEODBVJTIB-IAGOWNOFSA-N 2 2 348.491 0.485 20 30 ECEDLP C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C(=O)C1 ZINC001071267611 784893644 /nfs/dbraw/zinc/89/36/44/784893644.db2.gz MLYRUEODBVJTIB-IAGOWNOFSA-N 2 2 348.491 0.485 20 30 ECEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764628 787157512 /nfs/dbraw/zinc/15/75/12/787157512.db2.gz IXQCICWISFQTCX-RDJZCZTQSA-N 2 2 330.432 0.594 20 30 ECEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764628 787157515 /nfs/dbraw/zinc/15/75/15/787157515.db2.gz IXQCICWISFQTCX-RDJZCZTQSA-N 2 2 330.432 0.594 20 30 ECEDLP C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001075397928 789324343 /nfs/dbraw/zinc/32/43/43/789324343.db2.gz UKLNABLLJRCGPL-FUHWJXTLSA-N 2 2 344.459 0.972 20 30 ECEDLP C#CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001075417587 789346619 /nfs/dbraw/zinc/34/66/19/789346619.db2.gz LDVJOXLMIXDOKE-AEFFLSMTSA-N 2 2 330.432 0.892 20 30 ECEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073447437 789853587 /nfs/dbraw/zinc/85/35/87/789853587.db2.gz SJJSCGKQAXOXID-AWEZNQCLSA-N 2 2 327.856 0.994 20 30 ECEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073447437 789853595 /nfs/dbraw/zinc/85/35/95/789853595.db2.gz SJJSCGKQAXOXID-AWEZNQCLSA-N 2 2 327.856 0.994 20 30 ECEDLP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447437 789853604 /nfs/dbraw/zinc/85/36/04/789853604.db2.gz SJJSCGKQAXOXID-AWEZNQCLSA-N 2 2 327.856 0.994 20 30 ECEDLP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447437 789853611 /nfs/dbraw/zinc/85/36/11/789853611.db2.gz SJJSCGKQAXOXID-AWEZNQCLSA-N 2 2 327.856 0.994 20 30 ECEDLP CC#CCN1CC[NH+](CCN(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001267573293 837815785 /nfs/dbraw/zinc/81/57/85/837815785.db2.gz NUFDLXPEFZMYHI-UHFFFAOYSA-N 2 2 346.519 0.962 20 30 ECEDLP C=C(C)C[NH+]1CCN(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001266287932 835630158 /nfs/dbraw/zinc/63/01/58/835630158.db2.gz LFOAGQDOAFPOGT-UHFFFAOYSA-N 2 2 335.452 0.660 20 30 ECEDLP C#CCNC(=O)C[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001266418974 835823775 /nfs/dbraw/zinc/82/37/75/835823775.db2.gz VFBFVJNBLHZNFC-CQSZACIVSA-N 2 2 339.399 0.182 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266820860 836346129 /nfs/dbraw/zinc/34/61/29/836346129.db2.gz SFPSHGTWTDCOJW-LSDHHAIUSA-N 2 2 347.463 0.780 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001266860103 836400164 /nfs/dbraw/zinc/40/01/64/836400164.db2.gz XIPXABKIZXXZPX-CVEARBPZSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001266860103 836400174 /nfs/dbraw/zinc/40/01/74/836400174.db2.gz XIPXABKIZXXZPX-CVEARBPZSA-N 2 2 345.447 0.641 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001266915744 836474256 /nfs/dbraw/zinc/47/42/56/836474256.db2.gz DSIZKQPUHWQWOV-WLYUNCDWSA-N 2 2 345.447 0.416 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC001266993647 836577693 /nfs/dbraw/zinc/57/76/93/836577693.db2.gz BMNZDMSOTQDZRM-CYBMUJFWSA-N 2 2 345.447 0.887 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001267134217 836833659 /nfs/dbraw/zinc/83/36/59/836833659.db2.gz DULXJJDJSKFVEL-ZFWWWQNUSA-N 2 2 347.463 0.549 20 30 ECEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001267195917 836963093 /nfs/dbraw/zinc/96/30/93/836963093.db2.gz SVIVFKLGUCTJLR-INIZCTEOSA-N 2 2 348.491 0.438 20 30 ECEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001267195917 836963099 /nfs/dbraw/zinc/96/30/99/836963099.db2.gz SVIVFKLGUCTJLR-INIZCTEOSA-N 2 2 348.491 0.438 20 30 ECEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001267195917 836963103 /nfs/dbraw/zinc/96/31/03/836963103.db2.gz SVIVFKLGUCTJLR-INIZCTEOSA-N 2 2 348.491 0.438 20 30 ECEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001267195917 836963110 /nfs/dbraw/zinc/96/31/10/836963110.db2.gz SVIVFKLGUCTJLR-INIZCTEOSA-N 2 2 348.491 0.438 20 30 ECEDLP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CC(=O)NCC#N)CCCCC1 ZINC001267209646 836996135 /nfs/dbraw/zinc/99/61/35/836996135.db2.gz HDKISZWPASNLJD-UHFFFAOYSA-N 2 2 337.468 0.186 20 30 ECEDLP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)CC(=O)NCC#N)CCCCC1 ZINC001267209646 836996144 /nfs/dbraw/zinc/99/61/44/836996144.db2.gz HDKISZWPASNLJD-UHFFFAOYSA-N 2 2 337.468 0.186 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267689351 838258546 /nfs/dbraw/zinc/25/85/46/838258546.db2.gz DFXRQWVIYPAAKV-UONOGXRCSA-N 2 2 333.436 0.423 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267689351 838258555 /nfs/dbraw/zinc/25/85/55/838258555.db2.gz DFXRQWVIYPAAKV-UONOGXRCSA-N 2 2 333.436 0.423 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267697119 838289811 /nfs/dbraw/zinc/28/98/11/838289811.db2.gz OVPVMCAVJNOLBU-ZIAGYGMSSA-N 2 2 333.436 0.423 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267697119 838289819 /nfs/dbraw/zinc/28/98/19/838289819.db2.gz OVPVMCAVJNOLBU-ZIAGYGMSSA-N 2 2 333.436 0.423 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC001267743972 838446316 /nfs/dbraw/zinc/44/63/16/838446316.db2.gz CFZVQJTVCHQZGO-RDBSUJKOSA-N 2 2 347.381 0.588 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC001267743972 838446319 /nfs/dbraw/zinc/44/63/19/838446319.db2.gz CFZVQJTVCHQZGO-RDBSUJKOSA-N 2 2 347.381 0.588 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)CC(F)(F)F)C1 ZINC001267743972 838446322 /nfs/dbraw/zinc/44/63/22/838446322.db2.gz CFZVQJTVCHQZGO-RDBSUJKOSA-N 2 2 347.381 0.588 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)CC(F)(F)F)C1 ZINC001267743972 838446324 /nfs/dbraw/zinc/44/63/24/838446324.db2.gz CFZVQJTVCHQZGO-RDBSUJKOSA-N 2 2 347.381 0.588 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267748351 838456997 /nfs/dbraw/zinc/45/69/97/838456997.db2.gz WNEJGZGLOGXDLL-JKSUJKDBSA-N 2 2 330.432 0.594 20 30 ECEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267748351 838457000 /nfs/dbraw/zinc/45/70/00/838457000.db2.gz WNEJGZGLOGXDLL-JKSUJKDBSA-N 2 2 330.432 0.594 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267761953 838490681 /nfs/dbraw/zinc/49/06/81/838490681.db2.gz MGPGTGRJGRZDRD-HOTGVXAUSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267761953 838490687 /nfs/dbraw/zinc/49/06/87/838490687.db2.gz MGPGTGRJGRZDRD-HOTGVXAUSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267761953 838490695 /nfs/dbraw/zinc/49/06/95/838490695.db2.gz MGPGTGRJGRZDRD-HOTGVXAUSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267761953 838490702 /nfs/dbraw/zinc/49/07/02/838490702.db2.gz MGPGTGRJGRZDRD-HOTGVXAUSA-N 2 2 336.480 0.694 20 30 ECEDLP C[C@H](CC(=O)NC1(C[NH2+]CC(=O)NCC#N)CCCC1)n1cc[nH+]c1 ZINC001267843734 838642104 /nfs/dbraw/zinc/64/21/04/838642104.db2.gz LIZVODLFTGOXII-CQSZACIVSA-N 2 2 346.435 0.493 20 30 ECEDLP C[C@H]1CCCC[C@]1(C[NH2+]CC(=O)NCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001267873486 838669556 /nfs/dbraw/zinc/66/95/56/838669556.db2.gz XUFWFZDVTBEBLL-WMLDXEAASA-N 2 2 346.435 0.178 20 30 ECEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)CC1 ZINC000366393378 266148121 /nfs/dbraw/zinc/14/81/21/266148121.db2.gz RAOSNRLBBTVOEY-AWEZNQCLSA-N 2 2 345.451 0.339 20 30 ECEDLP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000174876485 290056504 /nfs/dbraw/zinc/05/65/04/290056504.db2.gz CXOGGBXLMWHUKO-PKOBYXMFSA-N 2 2 347.507 0.897 20 30 ECEDLP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000174876485 290056507 /nfs/dbraw/zinc/05/65/07/290056507.db2.gz CXOGGBXLMWHUKO-PKOBYXMFSA-N 2 2 347.507 0.897 20 30 ECEDLP COCC[N@H+](CCC#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000072689588 436052759 /nfs/dbraw/zinc/05/27/59/436052759.db2.gz WATVRMOQPZLMRF-UHFFFAOYSA-N 2 2 345.447 0.982 20 30 ECEDLP COCC[N@@H+](CCC#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000072689588 436052764 /nfs/dbraw/zinc/05/27/64/436052764.db2.gz WATVRMOQPZLMRF-UHFFFAOYSA-N 2 2 345.447 0.982 20 30 ECEDLP CCc1nsc(N2CCN(C(NCCn3cc[nH+]c3)=[NH+]C)CC2)n1 ZINC000261780351 436889042 /nfs/dbraw/zinc/88/90/42/436889042.db2.gz PDZGROHRBNKTOI-UHFFFAOYSA-N 2 2 348.480 0.695 20 30 ECEDLP CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC000328820128 437266470 /nfs/dbraw/zinc/26/64/70/437266470.db2.gz PXFOKLCUWRBDPI-AWEZNQCLSA-N 2 2 342.509 0.934 20 30 ECEDLP CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC000328820128 437266473 /nfs/dbraw/zinc/26/64/73/437266473.db2.gz PXFOKLCUWRBDPI-AWEZNQCLSA-N 2 2 342.509 0.934 20 30 ECEDLP CCNC(=O)C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000328820128 437266477 /nfs/dbraw/zinc/26/64/77/437266477.db2.gz PXFOKLCUWRBDPI-AWEZNQCLSA-N 2 2 342.509 0.934 20 30 ECEDLP CCNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000328820128 437266479 /nfs/dbraw/zinc/26/64/79/437266479.db2.gz PXFOKLCUWRBDPI-AWEZNQCLSA-N 2 2 342.509 0.934 20 30 ECEDLP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000329707433 437402828 /nfs/dbraw/zinc/40/28/28/437402828.db2.gz KMUWTGBCEKQLGH-OWCLPIDISA-N 2 2 340.468 0.416 20 30 ECEDLP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000329707433 437402832 /nfs/dbraw/zinc/40/28/32/437402832.db2.gz KMUWTGBCEKQLGH-OWCLPIDISA-N 2 2 340.468 0.416 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CCN(C([O-])=[NH+][C@H]3CCc4[nH]c[nH+]c4C3)C2)CC1 ZINC000329574345 437385284 /nfs/dbraw/zinc/38/52/84/437385284.db2.gz ARHKRSDDJSNTAE-LSDHHAIUSA-N 2 2 346.479 0.893 20 30 ECEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NCC[NH+]3CCOC(C)(C)C3)C[C@H]21 ZINC000329952969 437436811 /nfs/dbraw/zinc/43/68/11/437436811.db2.gz NOAJAQUNFCWCOH-ZIAGYGMSSA-N 2 2 326.441 0.026 20 30 ECEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NCC[NH+]3CCOC(C)(C)C3)C[C@H]21 ZINC000329952969 437436815 /nfs/dbraw/zinc/43/68/15/437436815.db2.gz NOAJAQUNFCWCOH-ZIAGYGMSSA-N 2 2 326.441 0.026 20 30 ECEDLP C[NH+]1CCO[C@@H]2CN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)C[C@H]21 ZINC000329952969 437436816 /nfs/dbraw/zinc/43/68/16/437436816.db2.gz NOAJAQUNFCWCOH-ZIAGYGMSSA-N 2 2 326.441 0.026 20 30 ECEDLP C[NH+]1CCO[C@@H]2CN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)C[C@H]21 ZINC000329952969 437436817 /nfs/dbraw/zinc/43/68/17/437436817.db2.gz NOAJAQUNFCWCOH-ZIAGYGMSSA-N 2 2 326.441 0.026 20 30 ECEDLP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423727626 437817428 /nfs/dbraw/zinc/81/74/28/437817428.db2.gz VKFVHHBWGZORJE-CQSZACIVSA-N 2 2 343.431 0.008 20 30 ECEDLP CC(=O)N1CCC[NH+](CC#CC[N@H+]2CCCN(C(C)=O)CC2)CC1 ZINC000372980149 438121822 /nfs/dbraw/zinc/12/18/22/438121822.db2.gz NFICHQVVJXGFDN-UHFFFAOYSA-N 2 2 334.464 0.098 20 30 ECEDLP CC(=O)N1CCC[NH+](CC#CC[N@@H+]2CCCN(C(C)=O)CC2)CC1 ZINC000372980149 438121828 /nfs/dbraw/zinc/12/18/28/438121828.db2.gz NFICHQVVJXGFDN-UHFFFAOYSA-N 2 2 334.464 0.098 20 30 ECEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000576822336 438800482 /nfs/dbraw/zinc/80/04/82/438800482.db2.gz BXHFMVDTGQHIFU-MSOLQXFVSA-N 2 2 347.459 0.929 20 30 ECEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000576822336 438800484 /nfs/dbraw/zinc/80/04/84/438800484.db2.gz BXHFMVDTGQHIFU-MSOLQXFVSA-N 2 2 347.459 0.929 20 30 ECEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000563882087 438868789 /nfs/dbraw/zinc/86/87/89/438868789.db2.gz WLZNVGXDMQQSTP-SFHVURJKSA-N 2 2 331.464 0.842 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@](O)(CC#N)C3)C2)CC1 ZINC000591960051 439122609 /nfs/dbraw/zinc/12/26/09/439122609.db2.gz RPKMCLMPCBIXLG-YOEHRIQHSA-N 2 2 335.452 0.215 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@](O)(CC#N)C3)C2)CC1 ZINC000591960051 439122614 /nfs/dbraw/zinc/12/26/14/439122614.db2.gz RPKMCLMPCBIXLG-YOEHRIQHSA-N 2 2 335.452 0.215 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC000491127902 439337180 /nfs/dbraw/zinc/33/71/80/439337180.db2.gz YDAFURPDONTKQD-OAHLLOKOSA-N 2 2 347.381 0.543 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC000491127902 439337184 /nfs/dbraw/zinc/33/71/84/439337184.db2.gz YDAFURPDONTKQD-OAHLLOKOSA-N 2 2 347.381 0.543 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CON=C(N)C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000490763747 439296795 /nfs/dbraw/zinc/29/67/95/439296795.db2.gz VLSVVGMRQJIVTE-HNNXBMFYSA-N 2 2 335.452 0.137 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CON=C(N)C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000490763747 439296800 /nfs/dbraw/zinc/29/68/00/439296800.db2.gz VLSVVGMRQJIVTE-HNNXBMFYSA-N 2 2 335.452 0.137 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(OCCCOC)CC2)CC1 ZINC000490778624 439297504 /nfs/dbraw/zinc/29/75/04/439297504.db2.gz HVGAMCBMUBPKTP-UHFFFAOYSA-N 2 2 337.464 0.281 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)CCc2ccccc2)CC1 ZINC000491689454 439427962 /nfs/dbraw/zinc/42/79/62/439427962.db2.gz ABBDOYVTOVKWEU-UHFFFAOYSA-N 2 2 328.416 0.895 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000491746466 439439990 /nfs/dbraw/zinc/43/99/90/439439990.db2.gz LNFLPPMCPRSABY-KRWDZBQOSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000491746466 439439995 /nfs/dbraw/zinc/43/99/95/439439995.db2.gz LNFLPPMCPRSABY-KRWDZBQOSA-N 2 2 332.492 0.570 20 30 ECEDLP C=CCc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc(OC)c1O ZINC000571344596 439496864 /nfs/dbraw/zinc/49/68/64/439496864.db2.gz VLTNOQVVFFXVRM-HUUCEWRRSA-N 2 2 331.416 0.873 20 30 ECEDLP C=CCc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc(OC)c1O ZINC000571344596 439496868 /nfs/dbraw/zinc/49/68/68/439496868.db2.gz VLTNOQVVFFXVRM-HUUCEWRRSA-N 2 2 331.416 0.873 20 30 ECEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000609537708 439575036 /nfs/dbraw/zinc/57/50/36/439575036.db2.gz CVUSQZMFTUQKQE-DLBZAZTESA-N 2 2 335.496 0.705 20 30 ECEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000595109163 439654048 /nfs/dbraw/zinc/65/40/48/439654048.db2.gz VARNFZCYJXCNAO-AWEZNQCLSA-N 2 2 345.447 0.885 20 30 ECEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(C#N)c1 ZINC000595109163 439654054 /nfs/dbraw/zinc/65/40/54/439654054.db2.gz VARNFZCYJXCNAO-AWEZNQCLSA-N 2 2 345.447 0.885 20 30 ECEDLP Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000595124052 439657017 /nfs/dbraw/zinc/65/70/17/439657017.db2.gz DNXSLVBZZKPSPL-UHFFFAOYSA-N 2 2 345.447 0.805 20 30 ECEDLP Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000595124052 439657020 /nfs/dbraw/zinc/65/70/20/439657020.db2.gz DNXSLVBZZKPSPL-UHFFFAOYSA-N 2 2 345.447 0.805 20 30 ECEDLP N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2=O)cc1 ZINC000600732698 439698006 /nfs/dbraw/zinc/69/80/06/439698006.db2.gz DEOXHVNHCMLHCZ-MSOLQXFVSA-N 2 2 342.443 0.705 20 30 ECEDLP C=CC[NH+]1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000729942397 578301695 /nfs/dbraw/zinc/30/16/95/578301695.db2.gz MUSGZVMRKFTVEC-UHFFFAOYSA-N 2 2 326.510 0.823 20 30 ECEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCCOCC(F)(F)F)cn2)CC1 ZINC000765595071 579069807 /nfs/dbraw/zinc/06/98/07/579069807.db2.gz CUZPPTWAOQKSGY-UHFFFAOYSA-N 2 2 346.357 0.731 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000767184803 579103014 /nfs/dbraw/zinc/10/30/14/579103014.db2.gz VTXZLRKUKDFGCX-UHFFFAOYSA-N 2 2 327.432 0.224 20 30 ECEDLP CN(CCC#N)c1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000742718688 579791586 /nfs/dbraw/zinc/79/15/86/579791586.db2.gz VRJCDXGEYSPJMI-UHFFFAOYSA-N 2 2 329.448 0.900 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)CC1 ZINC000852092083 589443176 /nfs/dbraw/zinc/44/31/76/589443176.db2.gz NASONGKZRLFZEZ-SFHVURJKSA-N 2 2 344.459 0.508 20 30 ECEDLP O=C(C#CC1CC[NH2+]CC1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000852858264 589518580 /nfs/dbraw/zinc/51/85/80/589518580.db2.gz WNXAXLDMUIZUDO-UHFFFAOYSA-N 2 2 328.416 0.537 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000863497730 590018014 /nfs/dbraw/zinc/01/80/14/590018014.db2.gz DJDSLZAFSDEZPG-MSOLQXFVSA-N 2 2 342.443 0.496 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000863497730 590018016 /nfs/dbraw/zinc/01/80/16/590018016.db2.gz DJDSLZAFSDEZPG-MSOLQXFVSA-N 2 2 342.443 0.496 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000863497730 590018019 /nfs/dbraw/zinc/01/80/19/590018019.db2.gz DJDSLZAFSDEZPG-MSOLQXFVSA-N 2 2 342.443 0.496 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000863497730 590018020 /nfs/dbraw/zinc/01/80/20/590018020.db2.gz DJDSLZAFSDEZPG-MSOLQXFVSA-N 2 2 342.443 0.496 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000884177368 590763526 /nfs/dbraw/zinc/76/35/26/590763526.db2.gz HSRFVGCIYJUKDJ-RYUDHWBXSA-N 2 2 325.434 0.914 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884185778 590766292 /nfs/dbraw/zinc/76/62/92/590766292.db2.gz HELMUXZDAJTWGB-GJZGRUSLSA-N 2 2 339.436 0.193 20 30 ECEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C2 ZINC000884211017 590776919 /nfs/dbraw/zinc/77/69/19/590776919.db2.gz QINIIYHJWAHFHJ-ISXWCOSWSA-N 2 2 346.475 0.839 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000884220561 590780485 /nfs/dbraw/zinc/78/04/85/590780485.db2.gz WQDONZRTYXRXFM-SOUVJXGZSA-N 2 2 339.436 0.193 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000890360764 591150737 /nfs/dbraw/zinc/15/07/37/591150737.db2.gz BCVWSKBLVPBDKJ-QZTJIDSGSA-N 2 2 348.491 0.980 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000890360764 591150741 /nfs/dbraw/zinc/15/07/41/591150741.db2.gz BCVWSKBLVPBDKJ-QZTJIDSGSA-N 2 2 348.491 0.980 20 30 ECEDLP C[NH+]1CCN(N=Cc2ccc(C=NN3CC[NH+](C)CC3)cc2)CC1 ZINC000916249255 609935891 /nfs/dbraw/zinc/93/58/91/609935891.db2.gz XOZNAXBTCZSARS-UHFFFAOYSA-N 2 2 328.464 0.849 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC000941462830 610321348 /nfs/dbraw/zinc/32/13/48/610321348.db2.gz HJSFMAUJQHATGZ-MRXNPFEDSA-N 2 2 341.459 0.297 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603196 610403399 /nfs/dbraw/zinc/40/33/99/610403399.db2.gz GEDUFDIEJGDJGH-WMZOPIPTSA-N 2 2 330.476 0.465 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603196 610403402 /nfs/dbraw/zinc/40/34/02/610403402.db2.gz GEDUFDIEJGDJGH-WMZOPIPTSA-N 2 2 330.476 0.465 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCc3c[nH+]cn3C1)CCO2 ZINC000949125875 611863174 /nfs/dbraw/zinc/86/31/74/611863174.db2.gz BDKFVTCGGLLVOA-INIZCTEOSA-N 2 2 342.443 0.772 20 30 ECEDLP C#CCC[N@@H+]1CCOC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000949429685 611977062 /nfs/dbraw/zinc/97/70/62/611977062.db2.gz BQCWCVPXVRHRBL-UHFFFAOYSA-N 2 2 330.432 0.990 20 30 ECEDLP C#CCC[N@H+]1CCOC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000949429685 611977064 /nfs/dbraw/zinc/97/70/64/611977064.db2.gz BQCWCVPXVRHRBL-UHFFFAOYSA-N 2 2 330.432 0.990 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnon1 ZINC001024987835 738462398 /nfs/dbraw/zinc/46/23/98/738462398.db2.gz WKEMAOSVKWIJKT-HOTGVXAUSA-N 2 2 331.420 0.638 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnon1 ZINC001024987835 738462399 /nfs/dbraw/zinc/46/23/99/738462399.db2.gz WKEMAOSVKWIJKT-HOTGVXAUSA-N 2 2 331.420 0.638 20 30 ECEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC001098521074 731594290 /nfs/dbraw/zinc/59/42/90/731594290.db2.gz QLQJMOGTDUTMEM-UHFFFAOYSA-N 2 2 349.475 0.160 20 30 ECEDLP C#CC[N@H+](CCO)C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC001098521074 731594292 /nfs/dbraw/zinc/59/42/92/731594292.db2.gz QLQJMOGTDUTMEM-UHFFFAOYSA-N 2 2 349.475 0.160 20 30 ECEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001041838672 782317045 /nfs/dbraw/zinc/31/70/45/782317045.db2.gz CVICXNAYAGYTEN-PKOBYXMFSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001041838672 782317052 /nfs/dbraw/zinc/31/70/52/782317052.db2.gz CVICXNAYAGYTEN-PKOBYXMFSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C)no3)C2)CC1 ZINC000970792269 733943215 /nfs/dbraw/zinc/94/32/15/733943215.db2.gz HQESGTRNEMJDDK-OAHLLOKOSA-N 2 2 331.420 0.414 20 30 ECEDLP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001167348625 733962893 /nfs/dbraw/zinc/96/28/93/733962893.db2.gz OGWONZBRZQAUFT-OAHLLOKOSA-N 2 2 345.447 0.460 20 30 ECEDLP C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971271047 734414623 /nfs/dbraw/zinc/41/46/23/734414623.db2.gz JNPIWEYQPFNYCH-XJKSGUPXSA-N 2 2 348.472 0.983 20 30 ECEDLP C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971271047 734414625 /nfs/dbraw/zinc/41/46/25/734414625.db2.gz JNPIWEYQPFNYCH-XJKSGUPXSA-N 2 2 348.472 0.983 20 30 ECEDLP C[NH+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971271047 734414628 /nfs/dbraw/zinc/41/46/28/734414628.db2.gz JNPIWEYQPFNYCH-XJKSGUPXSA-N 2 2 348.472 0.983 20 30 ECEDLP C[NH+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971271047 734414631 /nfs/dbraw/zinc/41/46/31/734414631.db2.gz JNPIWEYQPFNYCH-XJKSGUPXSA-N 2 2 348.472 0.983 20 30 ECEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C[C@H](C)O2 ZINC001098577827 737005672 /nfs/dbraw/zinc/00/56/72/737005672.db2.gz IPEYSFWSEDNAQM-JKSUJKDBSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C[C@H](C)O2 ZINC001098577827 737005674 /nfs/dbraw/zinc/00/56/74/737005674.db2.gz IPEYSFWSEDNAQM-JKSUJKDBSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001024217383 737824914 /nfs/dbraw/zinc/82/49/14/737824914.db2.gz YGCLCOPYSNVIMB-CABCVRRESA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104732289 739569073 /nfs/dbraw/zinc/56/90/73/739569073.db2.gz RQOVFODDJZORTR-QLFBSQMISA-N 2 2 347.463 0.717 20 30 ECEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006119 790305882 /nfs/dbraw/zinc/30/58/82/790305882.db2.gz DRCIQIZWJSIUCM-BBWFWOEESA-N 2 2 344.463 0.375 20 30 ECEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006119 790305887 /nfs/dbraw/zinc/30/58/87/790305887.db2.gz DRCIQIZWJSIUCM-BBWFWOEESA-N 2 2 344.463 0.375 20 30 ECEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006119 790305891 /nfs/dbraw/zinc/30/58/91/790305891.db2.gz DRCIQIZWJSIUCM-BBWFWOEESA-N 2 2 344.463 0.375 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006119 790305896 /nfs/dbraw/zinc/30/58/96/790305896.db2.gz DRCIQIZWJSIUCM-BBWFWOEESA-N 2 2 344.463 0.375 20 30 ECEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)CCc3[nH]cc[nH+]3)C2)nn1 ZINC001105223854 741501553 /nfs/dbraw/zinc/50/15/53/741501553.db2.gz LRWZGBSNNZJGBE-UHFFFAOYSA-N 2 2 327.392 0.130 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268319 741610142 /nfs/dbraw/zinc/61/01/42/741610142.db2.gz JONDGFCIGJNSIY-CZUORRHYSA-N 2 2 348.451 0.046 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC000983390736 742929305 /nfs/dbraw/zinc/92/93/05/742929305.db2.gz DMHVLBMYVRJQQS-ZTFGCOKTSA-N 2 2 342.443 0.873 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC000983390736 742929308 /nfs/dbraw/zinc/92/93/08/742929308.db2.gz DMHVLBMYVRJQQS-ZTFGCOKTSA-N 2 2 342.443 0.873 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)[nH]2)CC1 ZINC000997832340 743842683 /nfs/dbraw/zinc/84/26/83/743842683.db2.gz QXNHUUWZGWMJKW-INIZCTEOSA-N 2 2 344.463 0.539 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)[nH]2)CC1 ZINC000997832340 743842688 /nfs/dbraw/zinc/84/26/88/743842688.db2.gz QXNHUUWZGWMJKW-INIZCTEOSA-N 2 2 344.463 0.539 20 30 ECEDLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000998586218 744244081 /nfs/dbraw/zinc/24/40/81/744244081.db2.gz OQUDKPRLMSXIER-ABHNRTSZSA-N 2 2 342.443 0.968 20 30 ECEDLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000998586218 744244085 /nfs/dbraw/zinc/24/40/85/744244085.db2.gz OQUDKPRLMSXIER-ABHNRTSZSA-N 2 2 342.443 0.968 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000998923248 744407837 /nfs/dbraw/zinc/40/78/37/744407837.db2.gz PUQXYBWKRVKNSF-GPANFISMSA-N 2 2 327.432 0.653 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncccn2)C1 ZINC000998923248 744407839 /nfs/dbraw/zinc/40/78/39/744407839.db2.gz PUQXYBWKRVKNSF-GPANFISMSA-N 2 2 327.432 0.653 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC000999046411 744483696 /nfs/dbraw/zinc/48/36/96/744483696.db2.gz SNVRZRYLWRQSFI-CABCVRRESA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H]2CCCNC2=O)CC1 ZINC001000791068 745767988 /nfs/dbraw/zinc/76/79/88/745767988.db2.gz LZBCBDRZHPMAQB-IRXDYDNUSA-N 2 2 344.459 0.111 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+]([C@H]2CCCNC2=O)CC1 ZINC001000791068 745767991 /nfs/dbraw/zinc/76/79/91/745767991.db2.gz LZBCBDRZHPMAQB-IRXDYDNUSA-N 2 2 344.459 0.111 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001000791068 745767994 /nfs/dbraw/zinc/76/79/94/745767994.db2.gz LZBCBDRZHPMAQB-IRXDYDNUSA-N 2 2 344.459 0.111 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC001000791068 745767996 /nfs/dbraw/zinc/76/79/96/745767996.db2.gz LZBCBDRZHPMAQB-IRXDYDNUSA-N 2 2 344.459 0.111 20 30 ECEDLP C#CC[NH+]1CCC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001001682525 746596723 /nfs/dbraw/zinc/59/67/23/746596723.db2.gz BKYCGOLKZQBPJJ-GOSISDBHSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[NH+]1CCC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001001682525 746596726 /nfs/dbraw/zinc/59/67/26/746596726.db2.gz BKYCGOLKZQBPJJ-GOSISDBHSA-N 2 2 333.476 0.949 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001027702236 746915660 /nfs/dbraw/zinc/91/56/60/746915660.db2.gz YNEUSYDCJQATNN-JKSUJKDBSA-N 2 2 345.447 0.593 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001027702236 746915665 /nfs/dbraw/zinc/91/56/65/746915665.db2.gz YNEUSYDCJQATNN-JKSUJKDBSA-N 2 2 345.447 0.593 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208629 747749383 /nfs/dbraw/zinc/74/93/83/747749383.db2.gz KEWXDJTVMYTXBV-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208629 747749384 /nfs/dbraw/zinc/74/93/84/747749384.db2.gz KEWXDJTVMYTXBV-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2nncn2C)CC1 ZINC000985476519 748218944 /nfs/dbraw/zinc/21/89/44/748218944.db2.gz UVCHWHNRWFJZGF-INIZCTEOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2nncn2C)CC1 ZINC000985476519 748218948 /nfs/dbraw/zinc/21/89/48/748218948.db2.gz UVCHWHNRWFJZGF-INIZCTEOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2nncn2C)CC1 ZINC000985476519 748218954 /nfs/dbraw/zinc/21/89/54/748218954.db2.gz UVCHWHNRWFJZGF-INIZCTEOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2nncn2C)CC1 ZINC000985476519 748218960 /nfs/dbraw/zinc/21/89/60/748218960.db2.gz UVCHWHNRWFJZGF-INIZCTEOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nonc2C)C1 ZINC001029757975 748269080 /nfs/dbraw/zinc/26/90/80/748269080.db2.gz NBBYNAHFNHQWBO-WBVHZDCISA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2nonc2C)C1 ZINC001029757975 748269084 /nfs/dbraw/zinc/26/90/84/748269084.db2.gz NBBYNAHFNHQWBO-WBVHZDCISA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2nonc2C)C1 ZINC001029757975 748269086 /nfs/dbraw/zinc/26/90/86/748269086.db2.gz NBBYNAHFNHQWBO-WBVHZDCISA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2nonc2C)C1 ZINC001029757975 748269090 /nfs/dbraw/zinc/26/90/90/748269090.db2.gz NBBYNAHFNHQWBO-WBVHZDCISA-N 2 2 345.447 0.756 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC000980410234 749514698 /nfs/dbraw/zinc/51/46/98/749514698.db2.gz ZRNYBIPNMUBLHK-CVEARBPZSA-N 2 2 345.447 0.511 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC000980410234 749514701 /nfs/dbraw/zinc/51/47/01/749514701.db2.gz ZRNYBIPNMUBLHK-CVEARBPZSA-N 2 2 345.447 0.511 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC000980539432 749709757 /nfs/dbraw/zinc/70/97/57/749709757.db2.gz QWQXTLBLMMRSMV-GJZGRUSLSA-N 2 2 331.420 0.203 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC000980539432 749709768 /nfs/dbraw/zinc/70/97/68/749709768.db2.gz QWQXTLBLMMRSMV-GJZGRUSLSA-N 2 2 331.420 0.203 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1CCc2nc(C)nn2C1 ZINC000262786702 749752087 /nfs/dbraw/zinc/75/20/87/749752087.db2.gz MQALFEBBTKTWRJ-CYBMUJFWSA-N 2 2 337.497 0.115 20 30 ECEDLP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262819299 749848084 /nfs/dbraw/zinc/84/80/84/749848084.db2.gz WRXKIOJXNBNMKA-DOTOQJQBSA-N 3 2 337.537 0.945 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001028465464 752754386 /nfs/dbraw/zinc/75/43/86/752754386.db2.gz LATJIZRDVUWHAL-CRAIPNDOSA-N 2 2 342.443 0.827 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001028465464 752754391 /nfs/dbraw/zinc/75/43/91/752754391.db2.gz LATJIZRDVUWHAL-CRAIPNDOSA-N 2 2 342.443 0.827 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001028465464 752754393 /nfs/dbraw/zinc/75/43/93/752754393.db2.gz LATJIZRDVUWHAL-CRAIPNDOSA-N 2 2 342.443 0.827 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001028465464 752754396 /nfs/dbraw/zinc/75/43/96/752754396.db2.gz LATJIZRDVUWHAL-CRAIPNDOSA-N 2 2 342.443 0.827 20 30 ECEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001008022018 753205607 /nfs/dbraw/zinc/20/56/07/753205607.db2.gz BNUOBGUEORMHQQ-BBWFWOEESA-N 2 2 337.464 0.633 20 30 ECEDLP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001008022018 753205608 /nfs/dbraw/zinc/20/56/08/753205608.db2.gz BNUOBGUEORMHQQ-BBWFWOEESA-N 2 2 337.464 0.633 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098680605 753581499 /nfs/dbraw/zinc/58/14/99/753581499.db2.gz IGEROBADPBKJNR-HOTGVXAUSA-N 2 2 330.436 0.115 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001028603601 753895829 /nfs/dbraw/zinc/89/58/29/753895829.db2.gz DXLSXSNQZGFINY-AEFFLSMTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001028603601 753895840 /nfs/dbraw/zinc/89/58/40/753895840.db2.gz DXLSXSNQZGFINY-AEFFLSMTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001028603601 753895848 /nfs/dbraw/zinc/89/58/48/753895848.db2.gz DXLSXSNQZGFINY-AEFFLSMTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001028603601 753895854 /nfs/dbraw/zinc/89/58/54/753895854.db2.gz DXLSXSNQZGFINY-AEFFLSMTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)[nH]3)C[C@@H]2C)CC1 ZINC000989829330 754483816 /nfs/dbraw/zinc/48/38/16/754483816.db2.gz RNSSXVIJDRPSQR-XJKSGUPXSA-N 2 2 344.463 0.537 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028709945 754785348 /nfs/dbraw/zinc/78/53/48/754785348.db2.gz QFOYXJOWIQEKMC-KURKYZTESA-N 2 2 349.475 0.328 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028709945 754785353 /nfs/dbraw/zinc/78/53/53/754785353.db2.gz QFOYXJOWIQEKMC-KURKYZTESA-N 2 2 349.475 0.328 20 30 ECEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105655312 755205039 /nfs/dbraw/zinc/20/50/39/755205039.db2.gz HJIPZGAVISZVOK-FPAYPSAMSA-N 2 2 344.459 0.942 20 30 ECEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105667317 755615439 /nfs/dbraw/zinc/61/54/39/755615439.db2.gz QLFRGSUXAPYSDA-LTDCPUDJSA-N 2 2 344.459 0.942 20 30 ECEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC000996079186 756962081 /nfs/dbraw/zinc/96/20/81/756962081.db2.gz MQJVYWJZRRULKN-IKGGRYGDSA-N 2 2 349.475 0.326 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)C1=O ZINC000996355921 757458720 /nfs/dbraw/zinc/45/87/20/757458720.db2.gz ORTPKDVCCQVESE-LSDHHAIUSA-N 2 2 345.447 0.566 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cn3cc[nH+]c3C)nn2)C1 ZINC001107235716 758022470 /nfs/dbraw/zinc/02/24/70/758022470.db2.gz JVSKTDZYWJTZPV-UHFFFAOYSA-N 2 2 329.408 0.532 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001022220473 758439558 /nfs/dbraw/zinc/43/95/58/758439558.db2.gz FWTNSGNCODUHHT-ZNMIVQPWSA-N 2 2 345.451 0.088 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001022220473 758439566 /nfs/dbraw/zinc/43/95/66/758439566.db2.gz FWTNSGNCODUHHT-ZNMIVQPWSA-N 2 2 345.451 0.088 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001022221214 758442548 /nfs/dbraw/zinc/44/25/48/758442548.db2.gz AKZHGWJMRIKQTN-MHEUCROKSA-N 2 2 331.420 0.773 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001022221214 758442554 /nfs/dbraw/zinc/44/25/54/758442554.db2.gz AKZHGWJMRIKQTN-MHEUCROKSA-N 2 2 331.420 0.773 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccnn3C)C2)CC1 ZINC001032204905 759607067 /nfs/dbraw/zinc/60/70/67/759607067.db2.gz ILEHOFLCHKGXBX-UHFFFAOYSA-N 2 2 329.448 0.313 20 30 ECEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031858605 763099358 /nfs/dbraw/zinc/09/93/58/763099358.db2.gz CYFQPBADBPHDHI-CXOJTPOUSA-N 2 2 325.840 0.650 20 30 ECEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031858605 763099363 /nfs/dbraw/zinc/09/93/63/763099363.db2.gz CYFQPBADBPHDHI-CXOJTPOUSA-N 2 2 325.840 0.650 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046964175 763475687 /nfs/dbraw/zinc/47/56/87/763475687.db2.gz NBNOKVHIQINBNG-HUUCEWRRSA-N 2 2 343.418 0.802 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046964175 763475691 /nfs/dbraw/zinc/47/56/91/763475691.db2.gz NBNOKVHIQINBNG-HUUCEWRRSA-N 2 2 343.418 0.802 20 30 ECEDLP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046964175 763475695 /nfs/dbraw/zinc/47/56/95/763475695.db2.gz NBNOKVHIQINBNG-HUUCEWRRSA-N 2 2 343.418 0.802 20 30 ECEDLP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046964175 763475697 /nfs/dbraw/zinc/47/56/97/763475697.db2.gz NBNOKVHIQINBNG-HUUCEWRRSA-N 2 2 343.418 0.802 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027988 763623687 /nfs/dbraw/zinc/62/36/87/763623687.db2.gz MFVUCICPJRZXAG-OALUTQOASA-N 2 2 344.503 0.570 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027987 763623854 /nfs/dbraw/zinc/62/38/54/763623854.db2.gz MFVUCICPJRZXAG-MOPGFXCFSA-N 2 2 344.503 0.570 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001052048430 763696738 /nfs/dbraw/zinc/69/67/38/763696738.db2.gz UBAXYDWMECLUOX-RTBURBONSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001052048430 763696742 /nfs/dbraw/zinc/69/67/42/763696742.db2.gz UBAXYDWMECLUOX-RTBURBONSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001052048430 763696746 /nfs/dbraw/zinc/69/67/46/763696746.db2.gz UBAXYDWMECLUOX-RTBURBONSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001052048430 763696749 /nfs/dbraw/zinc/69/67/49/763696749.db2.gz UBAXYDWMECLUOX-RTBURBONSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001052056564 763728540 /nfs/dbraw/zinc/72/85/40/763728540.db2.gz FQLVYLQWXJXLRU-MOPGFXCFSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001052056564 763728545 /nfs/dbraw/zinc/72/85/45/763728545.db2.gz FQLVYLQWXJXLRU-MOPGFXCFSA-N 2 2 344.503 0.713 20 30 ECEDLP CC(C)(C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)[NH+]1CCCC1 ZINC001052060456 763739449 /nfs/dbraw/zinc/73/94/49/763739449.db2.gz FBHBCXQSJYUTJG-INIZCTEOSA-N 2 2 333.480 0.603 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081680 763798700 /nfs/dbraw/zinc/79/87/00/763798700.db2.gz FBCXEQKJEGELEK-QZTJIDSGSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081680 763798708 /nfs/dbraw/zinc/79/87/08/763798708.db2.gz FBCXEQKJEGELEK-QZTJIDSGSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081680 763798717 /nfs/dbraw/zinc/79/87/17/763798717.db2.gz FBCXEQKJEGELEK-QZTJIDSGSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081680 763798724 /nfs/dbraw/zinc/79/87/24/763798724.db2.gz FBCXEQKJEGELEK-QZTJIDSGSA-N 2 2 332.492 0.713 20 30 ECEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047322296 763991138 /nfs/dbraw/zinc/99/11/38/763991138.db2.gz NXFSCNNBJBALMN-SQNIBIBYSA-N 2 2 342.443 0.656 20 30 ECEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047322296 763991142 /nfs/dbraw/zinc/99/11/42/763991142.db2.gz NXFSCNNBJBALMN-SQNIBIBYSA-N 2 2 342.443 0.656 20 30 ECEDLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047322296 763991146 /nfs/dbraw/zinc/99/11/46/763991146.db2.gz NXFSCNNBJBALMN-SQNIBIBYSA-N 2 2 342.443 0.656 20 30 ECEDLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047322296 763991149 /nfs/dbraw/zinc/99/11/49/763991149.db2.gz NXFSCNNBJBALMN-SQNIBIBYSA-N 2 2 342.443 0.656 20 30 ECEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001047388109 764186401 /nfs/dbraw/zinc/18/64/01/764186401.db2.gz DCDWGYOMUPHKMA-ULQDDVLXSA-N 2 2 345.447 0.317 20 30 ECEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001047388109 764186412 /nfs/dbraw/zinc/18/64/12/764186412.db2.gz DCDWGYOMUPHKMA-ULQDDVLXSA-N 2 2 345.447 0.317 20 30 ECEDLP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001047388109 764186417 /nfs/dbraw/zinc/18/64/17/764186417.db2.gz DCDWGYOMUPHKMA-ULQDDVLXSA-N 2 2 345.447 0.317 20 30 ECEDLP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001047388109 764186424 /nfs/dbraw/zinc/18/64/24/764186424.db2.gz DCDWGYOMUPHKMA-ULQDDVLXSA-N 2 2 345.447 0.317 20 30 ECEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001047527516 764597057 /nfs/dbraw/zinc/59/70/57/764597057.db2.gz GJELVSXUFRNJJH-GRDNDAEWSA-N 2 2 325.428 0.336 20 30 ECEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001047527516 764597062 /nfs/dbraw/zinc/59/70/62/764597062.db2.gz GJELVSXUFRNJJH-GRDNDAEWSA-N 2 2 325.428 0.336 20 30 ECEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001047527516 764597070 /nfs/dbraw/zinc/59/70/70/764597070.db2.gz GJELVSXUFRNJJH-GRDNDAEWSA-N 2 2 325.428 0.336 20 30 ECEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001047586116 764784504 /nfs/dbraw/zinc/78/45/04/764784504.db2.gz JMJYVWIVPZEJIO-IRXDYDNUSA-N 2 2 341.415 0.961 20 30 ECEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001047586116 764784507 /nfs/dbraw/zinc/78/45/07/764784507.db2.gz JMJYVWIVPZEJIO-IRXDYDNUSA-N 2 2 341.415 0.961 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001015498552 764806330 /nfs/dbraw/zinc/80/63/30/764806330.db2.gz LPBJKUHHWYBUFP-CVEARBPZSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001015498552 764806335 /nfs/dbraw/zinc/80/63/35/764806335.db2.gz LPBJKUHHWYBUFP-CVEARBPZSA-N 2 2 348.491 0.838 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001046029068 766694341 /nfs/dbraw/zinc/69/43/41/766694341.db2.gz YHQYABCPVZZYMW-MRXNPFEDSA-N 2 2 329.448 0.584 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001046029068 766694344 /nfs/dbraw/zinc/69/43/44/766694344.db2.gz YHQYABCPVZZYMW-MRXNPFEDSA-N 2 2 329.448 0.584 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046035137 766718085 /nfs/dbraw/zinc/71/80/85/766718085.db2.gz FMZQWFJSZBLSNY-ZWKOTPCHSA-N 2 2 347.507 0.991 20 30 ECEDLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046035137 766718087 /nfs/dbraw/zinc/71/80/87/766718087.db2.gz FMZQWFJSZBLSNY-ZWKOTPCHSA-N 2 2 347.507 0.991 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001046036526 766726689 /nfs/dbraw/zinc/72/66/89/766726689.db2.gz ASQUTEKRYCZRCV-ARFHVFGLSA-N 2 2 329.448 0.918 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001046036526 766726707 /nfs/dbraw/zinc/72/67/07/766726707.db2.gz ASQUTEKRYCZRCV-ARFHVFGLSA-N 2 2 329.448 0.918 20 30 ECEDLP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046056863 766813889 /nfs/dbraw/zinc/81/38/89/766813889.db2.gz VKDBJPJTBFTZGO-ROUUACIJSA-N 2 2 347.507 0.850 20 30 ECEDLP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046056863 766813899 /nfs/dbraw/zinc/81/38/99/766813899.db2.gz VKDBJPJTBFTZGO-ROUUACIJSA-N 2 2 347.507 0.850 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CO2 ZINC001053828693 766959095 /nfs/dbraw/zinc/95/90/95/766959095.db2.gz XTIKEUCXZSDVGD-IAGOWNOFSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CO2 ZINC001053828693 766959098 /nfs/dbraw/zinc/95/90/98/766959098.db2.gz XTIKEUCXZSDVGD-IAGOWNOFSA-N 2 2 333.476 0.947 20 30 ECEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053904398 767312624 /nfs/dbraw/zinc/31/26/24/767312624.db2.gz NBDCWHPXBRKTBU-HOTGVXAUSA-N 2 2 337.464 0.631 20 30 ECEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053904398 767312629 /nfs/dbraw/zinc/31/26/29/767312629.db2.gz NBDCWHPXBRKTBU-HOTGVXAUSA-N 2 2 337.464 0.631 20 30 ECEDLP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001055603385 769238252 /nfs/dbraw/zinc/23/82/52/769238252.db2.gz CVGRLAUJUGIMSU-CQSZACIVSA-N 2 2 346.435 0.130 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001018663519 769732209 /nfs/dbraw/zinc/73/22/09/769732209.db2.gz FHPCIIBFFFJDLP-DLBZAZTESA-N 2 2 346.406 0.718 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001018663519 769732217 /nfs/dbraw/zinc/73/22/17/769732217.db2.gz FHPCIIBFFFJDLP-DLBZAZTESA-N 2 2 346.406 0.718 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCN3CCCC3=O)C2)CC1 ZINC001031434694 771068788 /nfs/dbraw/zinc/06/87/88/771068788.db2.gz AQBUYIDQQIBELU-UHFFFAOYSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001020250997 772351917 /nfs/dbraw/zinc/35/19/17/772351917.db2.gz ZIWRWOSZVBCNPY-IHRRRGAJSA-N 2 2 331.420 0.466 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001020250997 772351921 /nfs/dbraw/zinc/35/19/21/772351921.db2.gz ZIWRWOSZVBCNPY-IHRRRGAJSA-N 2 2 331.420 0.466 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nn(CC)nc2C)C1 ZINC001020250750 772352068 /nfs/dbraw/zinc/35/20/68/772352068.db2.gz OUISJHUFSQQTPI-ZOBUZTSGSA-N 2 2 344.463 0.441 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nn(CC)nc2C)C1 ZINC001020250750 772352077 /nfs/dbraw/zinc/35/20/77/772352077.db2.gz OUISJHUFSQQTPI-ZOBUZTSGSA-N 2 2 344.463 0.441 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079270374 780946311 /nfs/dbraw/zinc/94/63/11/780946311.db2.gz OUJJVXIIFQODPM-DLBZAZTESA-N 2 2 342.443 0.535 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001070241644 783727113 /nfs/dbraw/zinc/72/71/13/783727113.db2.gz RBMPRIPISXOAPW-CABCVRRESA-N 2 2 343.435 0.562 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001070292547 783799825 /nfs/dbraw/zinc/79/98/25/783799825.db2.gz SIRUOSLHRORFGM-CFVMTHIKSA-N 2 2 329.408 0.408 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070292547 783799830 /nfs/dbraw/zinc/79/98/30/783799830.db2.gz SIRUOSLHRORFGM-CFVMTHIKSA-N 2 2 329.408 0.408 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001070999999 784368893 /nfs/dbraw/zinc/36/88/93/784368893.db2.gz JKAIIIQNAKVCNN-HZPDHXFCSA-N 2 2 336.480 0.411 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001070999999 784368900 /nfs/dbraw/zinc/36/89/00/784368900.db2.gz JKAIIIQNAKVCNN-HZPDHXFCSA-N 2 2 336.480 0.411 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001070999999 784368906 /nfs/dbraw/zinc/36/89/06/784368906.db2.gz JKAIIIQNAKVCNN-HZPDHXFCSA-N 2 2 336.480 0.411 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001070999999 784368913 /nfs/dbraw/zinc/36/89/13/784368913.db2.gz JKAIIIQNAKVCNN-HZPDHXFCSA-N 2 2 336.480 0.411 20 30 ECEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070654533 784504370 /nfs/dbraw/zinc/50/43/70/784504370.db2.gz VRSIMRUHZILSNA-BZUAXINKSA-N 2 2 344.463 0.702 20 30 ECEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070654533 784504375 /nfs/dbraw/zinc/50/43/75/784504375.db2.gz VRSIMRUHZILSNA-BZUAXINKSA-N 2 2 344.463 0.702 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1NCC#N ZINC001070655217 784506865 /nfs/dbraw/zinc/50/68/65/784506865.db2.gz AJBPQPDHWZQUAT-ZIAGYGMSSA-N 2 2 330.436 0.312 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1NCC#N ZINC001070655517 784507569 /nfs/dbraw/zinc/50/75/69/784507569.db2.gz PIXUYWRFNAEWIK-HUUCEWRRSA-N 2 2 330.436 0.312 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1NCC#N ZINC001070655517 784507575 /nfs/dbraw/zinc/50/75/75/784507575.db2.gz PIXUYWRFNAEWIK-HUUCEWRRSA-N 2 2 330.436 0.312 20 30 ECEDLP CC(C)[C@@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)[NH+](C)C ZINC001070657353 784510134 /nfs/dbraw/zinc/51/01/34/784510134.db2.gz AJIRNZVLFLGYJD-FMKPAKJESA-N 2 2 332.452 0.414 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001070715047 784587281 /nfs/dbraw/zinc/58/72/81/784587281.db2.gz UADLGKZTTQCPLV-HZPDHXFCSA-N 2 2 342.447 0.856 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001067709365 792165273 /nfs/dbraw/zinc/16/52/73/792165273.db2.gz OUVLUQZFVJLUNF-INIZCTEOSA-N 2 2 345.447 0.288 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001067709365 792165278 /nfs/dbraw/zinc/16/52/78/792165278.db2.gz OUVLUQZFVJLUNF-INIZCTEOSA-N 2 2 345.447 0.288 20 30 ECEDLP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267488945 837553238 /nfs/dbraw/zinc/55/32/38/837553238.db2.gz SDBFBHJVZZLAOP-LSDHHAIUSA-N 2 2 337.468 0.279 20 30 ECEDLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267573814 837817741 /nfs/dbraw/zinc/81/77/41/837817741.db2.gz ZPPHVTRJWPBQCC-QGZVFWFLSA-N 2 2 335.496 0.706 20 30 ECEDLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267573814 837817754 /nfs/dbraw/zinc/81/77/54/837817754.db2.gz ZPPHVTRJWPBQCC-QGZVFWFLSA-N 2 2 335.496 0.706 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001266342026 835728498 /nfs/dbraw/zinc/72/84/98/835728498.db2.gz OHJLZWUDBQWSQN-DLBZAZTESA-N 2 2 348.491 0.719 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001266342026 835728505 /nfs/dbraw/zinc/72/85/05/835728505.db2.gz OHJLZWUDBQWSQN-DLBZAZTESA-N 2 2 348.491 0.719 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001266342026 835728514 /nfs/dbraw/zinc/72/85/14/835728514.db2.gz OHJLZWUDBQWSQN-DLBZAZTESA-N 2 2 348.491 0.719 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001266342026 835728521 /nfs/dbraw/zinc/72/85/21/835728521.db2.gz OHJLZWUDBQWSQN-DLBZAZTESA-N 2 2 348.491 0.719 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC001266728785 836207950 /nfs/dbraw/zinc/20/79/50/836207950.db2.gz LEPSGYOSBBTHNZ-ZFWWWQNUSA-N 2 2 345.451 0.215 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC001266728785 836207954 /nfs/dbraw/zinc/20/79/54/836207954.db2.gz LEPSGYOSBBTHNZ-ZFWWWQNUSA-N 2 2 345.451 0.215 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266820858 836346268 /nfs/dbraw/zinc/34/62/68/836346268.db2.gz SFPSHGTWTDCOJW-GJZGRUSLSA-N 2 2 347.463 0.780 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267107517 836789669 /nfs/dbraw/zinc/78/96/69/836789669.db2.gz DYGVFBODKWBLMS-JKSUJKDBSA-N 2 2 345.447 0.252 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267107517 836789677 /nfs/dbraw/zinc/78/96/77/836789677.db2.gz DYGVFBODKWBLMS-JKSUJKDBSA-N 2 2 345.447 0.252 20 30 ECEDLP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CC(=O)NCC#N)C1 ZINC001267627856 838080167 /nfs/dbraw/zinc/08/01/67/838080167.db2.gz IRNXTGLRGYBGEH-GJZGRUSLSA-N 2 2 335.452 0.081 20 30 ECEDLP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CC(=O)NCC#N)C1 ZINC001267627856 838080177 /nfs/dbraw/zinc/08/01/77/838080177.db2.gz IRNXTGLRGYBGEH-GJZGRUSLSA-N 2 2 335.452 0.081 20 30 ECEDLP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001267627856 838080188 /nfs/dbraw/zinc/08/01/88/838080188.db2.gz IRNXTGLRGYBGEH-GJZGRUSLSA-N 2 2 335.452 0.081 20 30 ECEDLP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001267627856 838080200 /nfs/dbraw/zinc/08/02/00/838080200.db2.gz IRNXTGLRGYBGEH-GJZGRUSLSA-N 2 2 335.452 0.081 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001267715380 838354251 /nfs/dbraw/zinc/35/42/51/838354251.db2.gz BCDXIEKVUVWDMY-PMPSAXMXSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001267715380 838354259 /nfs/dbraw/zinc/35/42/59/838354259.db2.gz BCDXIEKVUVWDMY-PMPSAXMXSA-N 2 2 336.480 0.694 20 30 ECEDLP C[C@H]1CCCC[C@@]1(C[NH2+]CC(=O)NCC#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001267874686 838670136 /nfs/dbraw/zinc/67/01/36/838670136.db2.gz YBHJOLPGHSZGRH-GUYCJALGSA-N 2 2 346.435 0.247 20 30 ECEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC(=O)N3CCOCC3)CC2)cc1 ZINC000183353822 235023604 /nfs/dbraw/zinc/02/36/04/235023604.db2.gz RQUNSSNVTLIVKL-UHFFFAOYSA-N 2 2 342.443 0.971 20 30 ECEDLP C#CCNC(=O)c1ccc(NCC[NH+]2CCC([NH+](C)C)CC2)nc1 ZINC000267158069 250784085 /nfs/dbraw/zinc/78/40/85/250784085.db2.gz FDDLGXUWHPIVOF-UHFFFAOYSA-N 2 2 329.448 0.883 20 30 ECEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000333864643 270005859 /nfs/dbraw/zinc/00/58/59/270005859.db2.gz SSRCFBDRXDZUBJ-FVQHAEBGSA-N 2 2 325.416 0.603 20 30 ECEDLP N#Cc1cccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c1 ZINC000369977346 270007568 /nfs/dbraw/zinc/00/75/68/270007568.db2.gz ZBPPBGPMVDYBQP-SFHVURJKSA-N 2 2 342.443 0.971 20 30 ECEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000073777347 436093817 /nfs/dbraw/zinc/09/38/17/436093817.db2.gz HPFKUUCGHNRJOH-OAHLLOKOSA-N 2 2 348.451 0.172 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104720523 436560666 /nfs/dbraw/zinc/56/06/66/436560666.db2.gz SCLDTGCCRMTOSY-UHFFFAOYSA-N 2 2 331.420 0.974 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245892852 436769222 /nfs/dbraw/zinc/76/92/22/436769222.db2.gz CEZYEQIWVSMTSF-HUUCEWRRSA-N 2 2 337.468 0.099 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245892852 436769223 /nfs/dbraw/zinc/76/92/23/436769223.db2.gz CEZYEQIWVSMTSF-HUUCEWRRSA-N 2 2 337.468 0.099 20 30 ECEDLP CCS(=O)(=O)CCNC(=[NH+]C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160003658 436866317 /nfs/dbraw/zinc/86/63/17/436866317.db2.gz PPJCHXRBBQEIND-KGLIPLIRSA-N 2 2 341.481 0.776 20 30 ECEDLP C[NH+]=C(NCc1cccs1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261959702 436897392 /nfs/dbraw/zinc/89/73/92/436897392.db2.gz JTYLPPGVOXLKCZ-UHFFFAOYSA-N 2 2 337.493 0.919 20 30 ECEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)C(C)C ZINC000284124682 437041716 /nfs/dbraw/zinc/04/17/16/437041716.db2.gz WPAQZTVLQZXUJQ-MRXNPFEDSA-N 2 2 347.463 0.814 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174896172 437090680 /nfs/dbraw/zinc/09/06/80/437090680.db2.gz RDKPTADFCYOVFJ-OAHLLOKOSA-N 2 2 337.468 0.100 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174896172 437090685 /nfs/dbraw/zinc/09/06/85/437090685.db2.gz RDKPTADFCYOVFJ-OAHLLOKOSA-N 2 2 337.468 0.100 20 30 ECEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328866912 437274422 /nfs/dbraw/zinc/27/44/22/437274422.db2.gz OAVHBGAZXADKAD-HUUCEWRRSA-N 2 2 334.468 0.759 20 30 ECEDLP C[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000328889881 437279231 /nfs/dbraw/zinc/27/92/31/437279231.db2.gz RGMJHLHFWSIGLT-JONQDZQNSA-N 2 2 340.468 0.415 20 30 ECEDLP C[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000328889881 437279238 /nfs/dbraw/zinc/27/92/38/437279238.db2.gz RGMJHLHFWSIGLT-JONQDZQNSA-N 2 2 340.468 0.415 20 30 ECEDLP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCn2cc[nH+]c2C1 ZINC000330316175 437482273 /nfs/dbraw/zinc/48/22/73/437482273.db2.gz PWAVAGNDYWULKN-HUUCEWRRSA-N 2 2 333.436 0.991 20 30 ECEDLP CN1C[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCC1=O ZINC000330497511 437531766 /nfs/dbraw/zinc/53/17/66/437531766.db2.gz ZTIBTTZWNZLEKU-ZDUSSCGKSA-N 2 2 325.457 0.137 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000360973022 437651730 /nfs/dbraw/zinc/65/17/30/437651730.db2.gz RGILJFGCOPTTPU-IAGOWNOFSA-N 2 2 335.496 0.706 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000360973022 437651736 /nfs/dbraw/zinc/65/17/36/437651736.db2.gz RGILJFGCOPTTPU-IAGOWNOFSA-N 2 2 335.496 0.706 20 30 ECEDLP CCNC(=O)NC(=O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000331301270 437737109 /nfs/dbraw/zinc/73/71/09/437737109.db2.gz PQLZJVHQAGQLKP-UHFFFAOYSA-N 2 2 339.484 0.527 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000363825322 437806912 /nfs/dbraw/zinc/80/69/12/437806912.db2.gz JCVGBJMZIYZQAV-UHFFFAOYSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000363825322 437806918 /nfs/dbraw/zinc/80/69/18/437806918.db2.gz JCVGBJMZIYZQAV-UHFFFAOYSA-N 2 2 334.464 0.002 20 30 ECEDLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000366830593 438135687 /nfs/dbraw/zinc/13/56/87/438135687.db2.gz RBKTVLDGERLQGX-MRXNPFEDSA-N 2 2 338.452 0.170 20 30 ECEDLP CC(C)[N@H+]1CCO[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000366830593 438135692 /nfs/dbraw/zinc/13/56/92/438135692.db2.gz RBKTVLDGERLQGX-MRXNPFEDSA-N 2 2 338.452 0.170 20 30 ECEDLP C[C@]1(C(N)=O)CCCC[NH+]1CC#CC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000367464995 438212022 /nfs/dbraw/zinc/21/20/22/438212022.db2.gz XCUYRJFRJQDHSV-HDICACEKSA-N 2 2 334.464 0.450 20 30 ECEDLP C[C@]1(C(N)=O)CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000367464995 438212024 /nfs/dbraw/zinc/21/20/24/438212024.db2.gz XCUYRJFRJQDHSV-HDICACEKSA-N 2 2 334.464 0.450 20 30 ECEDLP C[C@]1(C(N)=O)CCCC[N@H+]1CC#CC[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000367464995 438212030 /nfs/dbraw/zinc/21/20/30/438212030.db2.gz XCUYRJFRJQDHSV-HDICACEKSA-N 2 2 334.464 0.450 20 30 ECEDLP C[C@]1(C(N)=O)CCCC[N@@H+]1CC#CC[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000367464995 438212034 /nfs/dbraw/zinc/21/20/34/438212034.db2.gz XCUYRJFRJQDHSV-HDICACEKSA-N 2 2 334.464 0.450 20 30 ECEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCO[C@H](C#N)C3)CC2)CC1 ZINC000358327668 438202013 /nfs/dbraw/zinc/20/20/13/438202013.db2.gz JXWGTHJXMRUOFX-MRXNPFEDSA-N 2 2 335.452 0.479 20 30 ECEDLP N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1F ZINC000421345201 438483625 /nfs/dbraw/zinc/48/36/25/438483625.db2.gz QZPXGTQNNKAWGO-MRXNPFEDSA-N 2 2 346.406 0.720 20 30 ECEDLP C=CCN(C)C(=O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422118577 438522079 /nfs/dbraw/zinc/52/20/79/438522079.db2.gz QSJXDPCABNBLKR-UHFFFAOYSA-N 2 2 336.480 0.649 20 30 ECEDLP C=CCN(C)C(=O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422118577 438522081 /nfs/dbraw/zinc/52/20/81/438522081.db2.gz QSJXDPCABNBLKR-UHFFFAOYSA-N 2 2 336.480 0.649 20 30 ECEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000525686553 439211862 /nfs/dbraw/zinc/21/18/62/439211862.db2.gz ANJCGENKBWCMBJ-IEBWSBKVSA-N 2 2 347.507 0.895 20 30 ECEDLP C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000526283455 439244815 /nfs/dbraw/zinc/24/48/15/439244815.db2.gz FJSMFIJGQNFXKZ-HZPDHXFCSA-N 2 2 333.480 0.507 20 30 ECEDLP C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000526283455 439244818 /nfs/dbraw/zinc/24/48/18/439244818.db2.gz FJSMFIJGQNFXKZ-HZPDHXFCSA-N 2 2 333.480 0.507 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC(=O)N(CC)CC)CC2)CC1 ZINC000490556283 439272407 /nfs/dbraw/zinc/27/24/07/439272407.db2.gz QXCZCLXRRSMMHG-UHFFFAOYSA-N 2 2 348.491 0.344 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1 ZINC000490922955 439314223 /nfs/dbraw/zinc/31/42/23/439314223.db2.gz HNZHBPXIPLOIRG-UHFFFAOYSA-N 2 2 341.411 0.771 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000490925614 439314369 /nfs/dbraw/zinc/31/43/69/439314369.db2.gz WMLYMBAMODVRMC-IBGZPJMESA-N 2 2 340.471 0.753 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000490925614 439314374 /nfs/dbraw/zinc/31/43/74/439314374.db2.gz WMLYMBAMODVRMC-IBGZPJMESA-N 2 2 340.471 0.753 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC000490840497 439303374 /nfs/dbraw/zinc/30/33/74/439303374.db2.gz OLYQBSSFFXAGED-UHFFFAOYSA-N 2 2 343.427 0.682 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC000490840497 439303379 /nfs/dbraw/zinc/30/33/79/439303379.db2.gz OLYQBSSFFXAGED-UHFFFAOYSA-N 2 2 343.427 0.682 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000491387415 439375738 /nfs/dbraw/zinc/37/57/38/439375738.db2.gz XVHFRBSTUARVNW-MJGOQNOKSA-N 2 2 327.428 0.884 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000491543427 439404192 /nfs/dbraw/zinc/40/41/92/439404192.db2.gz GRTBSTMUWVVMEP-UHFFFAOYSA-N 2 2 330.432 0.599 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000491543427 439404195 /nfs/dbraw/zinc/40/41/95/439404195.db2.gz GRTBSTMUWVVMEP-UHFFFAOYSA-N 2 2 330.432 0.599 20 30 ECEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600719666 439695830 /nfs/dbraw/zinc/69/58/30/439695830.db2.gz DQZADPKKMVWGJR-IAGOWNOFSA-N 2 2 333.432 0.998 20 30 ECEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600719666 439695834 /nfs/dbraw/zinc/69/58/34/439695834.db2.gz DQZADPKKMVWGJR-IAGOWNOFSA-N 2 2 333.432 0.998 20 30 ECEDLP C=CC[C@@]1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000662718635 439858417 /nfs/dbraw/zinc/85/84/17/439858417.db2.gz NCRGRKCZVPGNOD-KRWDZBQOSA-N 2 2 333.436 0.852 20 30 ECEDLP C(C[NH+]1CCC(N=NC2=[NH+][C@H]3CCCC[C@@H]3N2)CC1)N1CCOCC1 ZINC000753933974 579409494 /nfs/dbraw/zinc/40/94/94/579409494.db2.gz DTQLGMKCUYUFCJ-IRXDYDNUSA-N 2 2 348.495 0.630 20 30 ECEDLP C#CCC[C@H](O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000798396031 578645058 /nfs/dbraw/zinc/64/50/58/578645058.db2.gz ROSIXYHBYWHXDA-KRWDZBQOSA-N 2 2 336.480 0.619 20 30 ECEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCCc3ccncc3)cn2)CC1 ZINC000789097872 578847915 /nfs/dbraw/zinc/84/79/15/578847915.db2.gz MFABKPXTRVKHGY-UHFFFAOYSA-N 2 2 325.420 0.790 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000891608036 586180983 /nfs/dbraw/zinc/18/09/83/586180983.db2.gz UOIXFZDCQWZSND-KRWDZBQOSA-N 2 2 340.427 0.784 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000891608036 586180984 /nfs/dbraw/zinc/18/09/84/586180984.db2.gz UOIXFZDCQWZSND-KRWDZBQOSA-N 2 2 340.427 0.784 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000891608036 586180985 /nfs/dbraw/zinc/18/09/85/586180985.db2.gz UOIXFZDCQWZSND-KRWDZBQOSA-N 2 2 340.427 0.784 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000891608036 586180986 /nfs/dbraw/zinc/18/09/86/586180986.db2.gz UOIXFZDCQWZSND-KRWDZBQOSA-N 2 2 340.427 0.784 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000901013523 586682013 /nfs/dbraw/zinc/68/20/13/586682013.db2.gz ZRJVWWIWENFEFG-MRXNPFEDSA-N 2 2 336.480 0.649 20 30 ECEDLP C=CCOC[C@@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000804169230 587080555 /nfs/dbraw/zinc/08/05/55/587080555.db2.gz RRLAGXOLOKCIDP-GJZGRUSLSA-N 2 2 336.436 0.278 20 30 ECEDLP C=CCOC[C@@H]1NC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000804169230 587080556 /nfs/dbraw/zinc/08/05/56/587080556.db2.gz RRLAGXOLOKCIDP-GJZGRUSLSA-N 2 2 336.436 0.278 20 30 ECEDLP C=CCOC[C@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000804169232 587080724 /nfs/dbraw/zinc/08/07/24/587080724.db2.gz RRLAGXOLOKCIDP-LSDHHAIUSA-N 2 2 336.436 0.278 20 30 ECEDLP C=CCOC[C@H]1NC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000804169232 587080726 /nfs/dbraw/zinc/08/07/26/587080726.db2.gz RRLAGXOLOKCIDP-LSDHHAIUSA-N 2 2 336.436 0.278 20 30 ECEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)CN(C)CCC#N)cn1 ZINC000818968580 587462696 /nfs/dbraw/zinc/46/26/96/587462696.db2.gz VGBMVAXRBSVVCG-INIZCTEOSA-N 2 2 328.420 0.872 20 30 ECEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986172 587463663 /nfs/dbraw/zinc/46/36/63/587463663.db2.gz HHTOWMBNCNDCCR-ZHALLVOQSA-N 2 2 345.443 0.945 20 30 ECEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986172 587463664 /nfs/dbraw/zinc/46/36/64/587463664.db2.gz HHTOWMBNCNDCCR-ZHALLVOQSA-N 2 2 345.443 0.945 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)N(CC[NH+]1CCOCC1)[C@H]1CCSC1 ZINC000854568017 589593466 /nfs/dbraw/zinc/59/34/66/589593466.db2.gz FZVXBKISMSUPBR-HNNXBMFYSA-N 2 2 327.494 0.771 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000862645427 589953647 /nfs/dbraw/zinc/95/36/47/589953647.db2.gz YZLDQCRZOOFEOZ-LJQANCHMSA-N 2 2 349.475 0.064 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000862645427 589953649 /nfs/dbraw/zinc/95/36/49/589953649.db2.gz YZLDQCRZOOFEOZ-LJQANCHMSA-N 2 2 349.475 0.064 20 30 ECEDLP C[NH+](C)CCCNC(=S)NN=C1CCC[N@@H+]2CCSC[C@H]12 ZINC000872349597 590115005 /nfs/dbraw/zinc/11/50/05/590115005.db2.gz BNERAOJNZNIWNG-CYBMUJFWSA-N 2 2 329.539 0.969 20 30 ECEDLP C[NH+](C)CCCNC(=S)NN=C1CCC[N@H+]2CCSC[C@H]12 ZINC000872349597 590115007 /nfs/dbraw/zinc/11/50/07/590115007.db2.gz BNERAOJNZNIWNG-CYBMUJFWSA-N 2 2 329.539 0.969 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000876753372 590409902 /nfs/dbraw/zinc/40/99/02/590409902.db2.gz DSOAXEQBQJJXEE-ZDUSSCGKSA-N 2 2 327.816 0.624 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]([C@@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000878874377 590548994 /nfs/dbraw/zinc/54/89/94/590548994.db2.gz WFUZBYHOSWFANX-FUHWJXTLSA-N 2 2 349.475 0.064 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)CC1 ZINC000878939823 590552617 /nfs/dbraw/zinc/55/26/17/590552617.db2.gz BHSKXQJTWGAVHF-MRXNPFEDSA-N 2 2 330.436 0.083 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](n3ccnn3)CC2)CC1 ZINC000878939823 590552619 /nfs/dbraw/zinc/55/26/19/590552619.db2.gz BHSKXQJTWGAVHF-MRXNPFEDSA-N 2 2 330.436 0.083 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000884211155 590776843 /nfs/dbraw/zinc/77/68/43/590776843.db2.gz VIIIOOZLPMYGOT-CABCVRRESA-N 2 2 339.436 0.146 20 30 ECEDLP C#CCN(C(=O)CC[NH+]1CCN(C(C)C)CC1)C1CC[NH+](C)CC1 ZINC000886574401 590860371 /nfs/dbraw/zinc/86/03/71/590860371.db2.gz DRISGJYSAZEDOG-UHFFFAOYSA-N 2 2 334.508 0.959 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CCC(CC)([NH+]3CCC3)CC2)CC1 ZINC000886712768 590871998 /nfs/dbraw/zinc/87/19/98/590871998.db2.gz LUCNFOIBULJLPI-UHFFFAOYSA-N 2 2 332.492 0.714 20 30 ECEDLP C#CC[C@H]1NC(=O)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000925332807 611470845 /nfs/dbraw/zinc/47/08/45/611470845.db2.gz XPRRINFZIQQANO-OAHLLOKOSA-N 2 2 332.448 0.880 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603191 610403288 /nfs/dbraw/zinc/40/32/88/610403288.db2.gz GEDUFDIEJGDJGH-FUHWJXTLSA-N 2 2 330.476 0.465 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603191 610403289 /nfs/dbraw/zinc/40/32/89/610403289.db2.gz GEDUFDIEJGDJGH-FUHWJXTLSA-N 2 2 330.476 0.465 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603694 610403467 /nfs/dbraw/zinc/40/34/67/610403467.db2.gz MJKUVHMNAXSDOV-HKUYNNGSSA-N 2 2 344.503 0.855 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603694 610403470 /nfs/dbraw/zinc/40/34/70/610403470.db2.gz MJKUVHMNAXSDOV-HKUYNNGSSA-N 2 2 344.503 0.855 20 30 ECEDLP COCC[NH2+]C1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000923389139 611236629 /nfs/dbraw/zinc/23/66/29/611236629.db2.gz TXIVOECRCWUQOQ-QGZVFWFLSA-N 2 2 333.432 0.998 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000923563952 611263323 /nfs/dbraw/zinc/26/33/23/611263323.db2.gz ZWIBMCMBFDKFCB-INIZCTEOSA-N 2 2 341.459 0.661 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000923563952 611263324 /nfs/dbraw/zinc/26/33/24/611263324.db2.gz ZWIBMCMBFDKFCB-INIZCTEOSA-N 2 2 341.459 0.661 20 30 ECEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971996552 735481669 /nfs/dbraw/zinc/48/16/69/735481669.db2.gz FEUVONZQFOKTHY-BBWFWOEESA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971996552 735481670 /nfs/dbraw/zinc/48/16/70/735481670.db2.gz FEUVONZQFOKTHY-BBWFWOEESA-N 2 2 337.464 0.585 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nccnc2C)C1 ZINC000969865154 732461749 /nfs/dbraw/zinc/46/17/49/732461749.db2.gz KHCMUZQVFVRGIJ-KSSFIOAISA-N 2 2 341.459 0.819 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2nccnc2C)C1 ZINC000969865154 732461753 /nfs/dbraw/zinc/46/17/53/732461753.db2.gz KHCMUZQVFVRGIJ-KSSFIOAISA-N 2 2 341.459 0.819 20 30 ECEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000970215345 733207177 /nfs/dbraw/zinc/20/71/77/733207177.db2.gz XWULOAWTKKGCFI-QAPCUYQASA-N 2 2 333.476 0.947 20 30 ECEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000970215345 733207180 /nfs/dbraw/zinc/20/71/80/733207180.db2.gz XWULOAWTKKGCFI-QAPCUYQASA-N 2 2 333.476 0.947 20 30 ECEDLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104274439 733556650 /nfs/dbraw/zinc/55/66/50/733556650.db2.gz PLSKGTDYIUILDV-ZIAGYGMSSA-N 2 2 346.435 0.056 20 30 ECEDLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104274439 733556654 /nfs/dbraw/zinc/55/66/54/733556654.db2.gz PLSKGTDYIUILDV-ZIAGYGMSSA-N 2 2 346.435 0.056 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](Cc3ccnn3C)C2)CC1 ZINC000970923598 734092149 /nfs/dbraw/zinc/09/21/49/734092149.db2.gz GRCGYFGOFUYZMT-HNNXBMFYSA-N 2 2 343.475 0.702 20 30 ECEDLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078174301 782428754 /nfs/dbraw/zinc/42/87/54/782428754.db2.gz HWJCDDSDXBICSW-KBAYOESNSA-N 2 2 345.418 0.290 20 30 ECEDLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078174301 782428761 /nfs/dbraw/zinc/42/87/61/782428761.db2.gz HWJCDDSDXBICSW-KBAYOESNSA-N 2 2 345.418 0.290 20 30 ECEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078174301 782428765 /nfs/dbraw/zinc/42/87/65/782428765.db2.gz HWJCDDSDXBICSW-KBAYOESNSA-N 2 2 345.418 0.290 20 30 ECEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078174301 782428769 /nfs/dbraw/zinc/42/87/69/782428769.db2.gz HWJCDDSDXBICSW-KBAYOESNSA-N 2 2 345.418 0.290 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cnn(C)c2)C1 ZINC000971703221 734964171 /nfs/dbraw/zinc/96/41/71/734964171.db2.gz AOAMPVRZAWWYAL-IRXDYDNUSA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cnn(C)c2)C1 ZINC000971703221 734964172 /nfs/dbraw/zinc/96/41/72/734964172.db2.gz AOAMPVRZAWWYAL-IRXDYDNUSA-N 2 2 329.448 0.550 20 30 ECEDLP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C2)C1 ZINC000972416271 736154063 /nfs/dbraw/zinc/15/40/63/736154063.db2.gz GOQCKPOJHUUGKP-PKOBYXMFSA-N 2 2 329.444 0.411 20 30 ECEDLP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C2)C1 ZINC000972416271 736154065 /nfs/dbraw/zinc/15/40/65/736154065.db2.gz GOQCKPOJHUUGKP-PKOBYXMFSA-N 2 2 329.444 0.411 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC#C)C2)C1 ZINC000972416271 736154067 /nfs/dbraw/zinc/15/40/67/736154067.db2.gz GOQCKPOJHUUGKP-PKOBYXMFSA-N 2 2 329.444 0.411 20 30 ECEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC#C)C2)C1 ZINC000972416271 736154069 /nfs/dbraw/zinc/15/40/69/736154069.db2.gz GOQCKPOJHUUGKP-PKOBYXMFSA-N 2 2 329.444 0.411 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC000972434598 736185955 /nfs/dbraw/zinc/18/59/55/736185955.db2.gz XPUMCCSGWJWCPP-HUUCEWRRSA-N 2 2 331.420 0.272 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC000972434598 736185957 /nfs/dbraw/zinc/18/59/57/736185957.db2.gz XPUMCCSGWJWCPP-HUUCEWRRSA-N 2 2 331.420 0.272 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001024217384 737824952 /nfs/dbraw/zinc/82/49/52/737824952.db2.gz YGCLCOPYSNVIMB-GJZGRUSLSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000974224400 741130595 /nfs/dbraw/zinc/13/05/95/741130595.db2.gz ZCQDWJQZFIAPAO-GASCZTMLSA-N 2 2 343.431 0.061 20 30 ECEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001105041276 741218742 /nfs/dbraw/zinc/21/87/42/741218742.db2.gz CAJBHPDMGWUARR-KBAYOESNSA-N 2 2 333.476 0.805 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259990 741583210 /nfs/dbraw/zinc/58/32/10/741583210.db2.gz WDPDTERDEUGMKK-INIZCTEOSA-N 2 2 330.436 0.115 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268272 741609960 /nfs/dbraw/zinc/60/99/60/741609960.db2.gz HMRYBRLGUUFYIN-MRXNPFEDSA-N 2 2 330.436 0.259 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001105268272 741609963 /nfs/dbraw/zinc/60/99/63/741609963.db2.gz HMRYBRLGUUFYIN-MRXNPFEDSA-N 2 2 330.436 0.259 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CCC(NC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001026613638 741611317 /nfs/dbraw/zinc/61/13/17/741611317.db2.gz XTUXDPXUVPHSNT-UYSNPLJNSA-N 2 2 345.447 0.687 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001026812585 741868313 /nfs/dbraw/zinc/86/83/13/741868313.db2.gz KTFJSONBUCOMCZ-HUUCEWRRSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001027091559 742525555 /nfs/dbraw/zinc/52/55/55/742525555.db2.gz PCKPPXKMUFEWAI-ZFWWWQNUSA-N 2 2 331.420 0.177 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3nnc(C)o3)C2)CC1 ZINC001029004534 743164611 /nfs/dbraw/zinc/16/46/11/743164611.db2.gz YLUSCGRLLURJGE-OAHLLOKOSA-N 2 2 345.447 0.661 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3nnc(C)o3)C2)CC1 ZINC001029004534 743164613 /nfs/dbraw/zinc/16/46/13/743164613.db2.gz YLUSCGRLLURJGE-OAHLLOKOSA-N 2 2 345.447 0.661 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccc(C)n2)C1 ZINC000998922104 744407429 /nfs/dbraw/zinc/40/74/29/744407429.db2.gz FVNXPPPAPNYVJA-JCYILVPMSA-N 2 2 341.459 0.962 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccc(C)n2)C1 ZINC000998922104 744407430 /nfs/dbraw/zinc/40/74/30/744407430.db2.gz FVNXPPPAPNYVJA-JCYILVPMSA-N 2 2 341.459 0.962 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000999390708 744670907 /nfs/dbraw/zinc/67/09/07/744670907.db2.gz GYCCWIIJJZAHJY-WBVHZDCISA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000999390708 744670911 /nfs/dbraw/zinc/67/09/11/744670911.db2.gz GYCCWIIJJZAHJY-WBVHZDCISA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+]([C@H](C)C(=O)N(C)C)CC1 ZINC001000788633 745764586 /nfs/dbraw/zinc/76/45/86/745764586.db2.gz WMXLTYQFZADDQQ-WBVHZDCISA-N 2 2 346.475 0.309 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H](C)C(=O)N(C)C)CC1 ZINC001000788633 745764592 /nfs/dbraw/zinc/76/45/92/745764592.db2.gz WMXLTYQFZADDQQ-WBVHZDCISA-N 2 2 346.475 0.309 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC001000788633 745764595 /nfs/dbraw/zinc/76/45/95/745764595.db2.gz WMXLTYQFZADDQQ-WBVHZDCISA-N 2 2 346.475 0.309 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC001000788633 745764598 /nfs/dbraw/zinc/76/45/98/745764598.db2.gz WMXLTYQFZADDQQ-WBVHZDCISA-N 2 2 346.475 0.309 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)[C@@H]1CC ZINC001087607335 746115455 /nfs/dbraw/zinc/11/54/55/746115455.db2.gz YFKMYVJZCSPTGI-KSZLIROESA-N 2 2 343.475 0.987 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)[C@@H]1CC ZINC001087607335 746115456 /nfs/dbraw/zinc/11/54/56/746115456.db2.gz YFKMYVJZCSPTGI-KSZLIROESA-N 2 2 343.475 0.987 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccnn2C)[C@@H]1CC ZINC001087607335 746115458 /nfs/dbraw/zinc/11/54/58/746115458.db2.gz YFKMYVJZCSPTGI-KSZLIROESA-N 2 2 343.475 0.987 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccnn2C)[C@@H]1CC ZINC001087607335 746115459 /nfs/dbraw/zinc/11/54/59/746115459.db2.gz YFKMYVJZCSPTGI-KSZLIROESA-N 2 2 343.475 0.987 20 30 ECEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978525105 746404025 /nfs/dbraw/zinc/40/40/25/746404025.db2.gz JAPRXKOXAPJJRP-ZJPYXAASSA-N 2 2 331.460 0.415 20 30 ECEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978525105 746404029 /nfs/dbraw/zinc/40/40/29/746404029.db2.gz JAPRXKOXAPJJRP-ZJPYXAASSA-N 2 2 331.460 0.415 20 30 ECEDLP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@@H+]3CC3CCC3)[C@@H]2C1 ZINC000978525105 746404034 /nfs/dbraw/zinc/40/40/34/746404034.db2.gz JAPRXKOXAPJJRP-ZJPYXAASSA-N 2 2 331.460 0.415 20 30 ECEDLP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@H+]3CC3CCC3)[C@@H]2C1 ZINC000978525105 746404039 /nfs/dbraw/zinc/40/40/39/746404039.db2.gz JAPRXKOXAPJJRP-ZJPYXAASSA-N 2 2 331.460 0.415 20 30 ECEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978525474 746404611 /nfs/dbraw/zinc/40/46/11/746404611.db2.gz JSGNXRGJTCVGTJ-OKYOBFRVSA-N 2 2 345.487 0.805 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978525474 746404615 /nfs/dbraw/zinc/40/46/15/746404615.db2.gz JSGNXRGJTCVGTJ-OKYOBFRVSA-N 2 2 345.487 0.805 20 30 ECEDLP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)[C@@H]2C1 ZINC000978525474 746404617 /nfs/dbraw/zinc/40/46/17/746404617.db2.gz JSGNXRGJTCVGTJ-OKYOBFRVSA-N 2 2 345.487 0.805 20 30 ECEDLP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@H+]3CC3CCC3)[C@@H]2C1 ZINC000978525474 746404623 /nfs/dbraw/zinc/40/46/23/746404623.db2.gz JSGNXRGJTCVGTJ-OKYOBFRVSA-N 2 2 345.487 0.805 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cnon4)C[C@H]32)CC1 ZINC000979073974 747147316 /nfs/dbraw/zinc/14/73/16/747147316.db2.gz BGBHRTAFDRDITQ-OSYLJGHBSA-N 2 2 343.431 0.209 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cnon4)C[C@H]32)CC1 ZINC000979073974 747147322 /nfs/dbraw/zinc/14/73/22/747147322.db2.gz BGBHRTAFDRDITQ-OSYLJGHBSA-N 2 2 343.431 0.209 20 30 ECEDLP C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N(C)CC1([NH+](C)C)CCC1 ZINC000262346454 747148272 /nfs/dbraw/zinc/14/82/72/747148272.db2.gz DKZFECVEVKXJBG-ZDUSSCGKSA-N 2 2 330.498 0.413 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC000984958227 747169036 /nfs/dbraw/zinc/16/90/36/747169036.db2.gz GYVROVMVMCTNMU-IHRRRGAJSA-N 2 2 331.420 0.224 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(CC)C2=O)CC1 ZINC001003055728 748124295 /nfs/dbraw/zinc/12/42/95/748124295.db2.gz KDDANNGOAZTBAI-DLBZAZTESA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCN(CC)C2=O)CC1 ZINC001003055728 748124299 /nfs/dbraw/zinc/12/42/99/748124299.db2.gz KDDANNGOAZTBAI-DLBZAZTESA-N 2 2 346.475 0.285 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC000980268407 749278889 /nfs/dbraw/zinc/27/88/89/749278889.db2.gz GRZGUTIVVRHNAQ-GOEBONIOSA-N 2 2 345.447 0.580 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC000980268407 749278894 /nfs/dbraw/zinc/27/88/94/749278894.db2.gz GRZGUTIVVRHNAQ-GOEBONIOSA-N 2 2 345.447 0.580 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccn(C)n3)CC2)CC1 ZINC001004207651 749317237 /nfs/dbraw/zinc/31/72/37/749317237.db2.gz HUMRXBOCLVQALX-UHFFFAOYSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cn(C)nn3)CC2)CC1 ZINC001004209763 749320078 /nfs/dbraw/zinc/32/00/78/749320078.db2.gz VLODFPZPVISZEE-UHFFFAOYSA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC001027942335 749665147 /nfs/dbraw/zinc/66/51/47/749665147.db2.gz CBQDKICKCKIUIW-SJORKVTESA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC001027942335 749665152 /nfs/dbraw/zinc/66/51/52/749665152.db2.gz CBQDKICKCKIUIW-SJORKVTESA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1cnn(C)c1 ZINC001027942335 749665157 /nfs/dbraw/zinc/66/51/57/749665157.db2.gz CBQDKICKCKIUIW-SJORKVTESA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1cnn(C)c1 ZINC001027942335 749665161 /nfs/dbraw/zinc/66/51/61/749665161.db2.gz CBQDKICKCKIUIW-SJORKVTESA-N 2 2 329.448 0.598 20 30 ECEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262791160 749774134 /nfs/dbraw/zinc/77/41/34/749774134.db2.gz NZLUICPEIPZSJF-INIZCTEOSA-N 3 2 337.537 0.947 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)nn1 ZINC001105376924 754065535 /nfs/dbraw/zinc/06/55/35/754065535.db2.gz LMGCZFLINJVTFW-KRWDZBQOSA-N 2 2 344.463 0.505 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+](C)C3CCC3)nn2)C1 ZINC001107179695 757296809 /nfs/dbraw/zinc/29/68/09/757296809.db2.gz QRYKYKDYSBWUCQ-UHFFFAOYSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+](C)C3CCC3)nn2)C1 ZINC001107179695 757296813 /nfs/dbraw/zinc/29/68/13/757296813.db2.gz QRYKYKDYSBWUCQ-UHFFFAOYSA-N 2 2 330.436 0.259 20 30 ECEDLP COCC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001099556290 759873072 /nfs/dbraw/zinc/87/30/72/759873072.db2.gz IKVXJWQXAPHHCR-MHORFTMASA-N 2 2 342.443 0.702 20 30 ECEDLP COCC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001099556290 759873077 /nfs/dbraw/zinc/87/30/77/759873077.db2.gz IKVXJWQXAPHHCR-MHORFTMASA-N 2 2 342.443 0.702 20 30 ECEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051028019 761360316 /nfs/dbraw/zinc/36/03/16/761360316.db2.gz BPOISTOBZLNGOH-LPMVOBIJSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051028019 761360322 /nfs/dbraw/zinc/36/03/22/761360322.db2.gz BPOISTOBZLNGOH-LPMVOBIJSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051028019 761360330 /nfs/dbraw/zinc/36/03/30/761360330.db2.gz BPOISTOBZLNGOH-LPMVOBIJSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051028019 761360339 /nfs/dbraw/zinc/36/03/39/761360339.db2.gz BPOISTOBZLNGOH-LPMVOBIJSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001046895726 763327230 /nfs/dbraw/zinc/32/72/30/763327230.db2.gz ABOVJOSBLHNGOP-YJBOKZPZSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001047460316 764413127 /nfs/dbraw/zinc/41/31/27/764413127.db2.gz FXUOCQXJFIXHEJ-IRXDYDNUSA-N 2 2 330.432 0.289 20 30 ECEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001047460316 764413133 /nfs/dbraw/zinc/41/31/33/764413133.db2.gz FXUOCQXJFIXHEJ-IRXDYDNUSA-N 2 2 330.432 0.289 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2nccn2C)CC1 ZINC001052456610 764538250 /nfs/dbraw/zinc/53/82/50/764538250.db2.gz IEPQPHUZJJEAKW-SJORKVTESA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2nccn2C)CC1 ZINC001052456610 764538260 /nfs/dbraw/zinc/53/82/60/764538260.db2.gz IEPQPHUZJJEAKW-SJORKVTESA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2nccn2C)CC1 ZINC001052456610 764538271 /nfs/dbraw/zinc/53/82/71/764538271.db2.gz IEPQPHUZJJEAKW-SJORKVTESA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2nccn2C)CC1 ZINC001052456610 764538277 /nfs/dbraw/zinc/53/82/77/764538277.db2.gz IEPQPHUZJJEAKW-SJORKVTESA-N 2 2 343.475 0.988 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)C1=O ZINC001088981934 764690109 /nfs/dbraw/zinc/69/01/09/764690109.db2.gz VALGFUVVQPGHRF-KBMXLJTQSA-N 2 2 345.447 0.329 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)C1=O ZINC001088981934 764690116 /nfs/dbraw/zinc/69/01/16/764690116.db2.gz VALGFUVVQPGHRF-KBMXLJTQSA-N 2 2 345.447 0.329 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC001052823720 765184724 /nfs/dbraw/zinc/18/47/24/765184724.db2.gz MPYCPGUUHWIOCJ-GJZGRUSLSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC001052823720 765184727 /nfs/dbraw/zinc/18/47/27/765184727.db2.gz MPYCPGUUHWIOCJ-GJZGRUSLSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC001052823719 765184839 /nfs/dbraw/zinc/18/48/39/765184839.db2.gz MPYCPGUUHWIOCJ-CABCVRRESA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC001052823719 765184841 /nfs/dbraw/zinc/18/48/41/765184841.db2.gz MPYCPGUUHWIOCJ-CABCVRRESA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001106474652 768353901 /nfs/dbraw/zinc/35/39/01/768353901.db2.gz QJHUYYKYVGHFSQ-NXHRZFHOSA-N 2 2 333.476 0.805 20 30 ECEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001106474652 768353908 /nfs/dbraw/zinc/35/39/08/768353908.db2.gz QJHUYYKYVGHFSQ-NXHRZFHOSA-N 2 2 333.476 0.805 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001045943829 766513479 /nfs/dbraw/zinc/51/34/79/766513479.db2.gz POJHCAUWJFFVOI-QFBILLFUSA-N 2 2 346.475 0.274 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001045943829 766513486 /nfs/dbraw/zinc/51/34/86/766513486.db2.gz POJHCAUWJFFVOI-QFBILLFUSA-N 2 2 346.475 0.274 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001045943829 766513495 /nfs/dbraw/zinc/51/34/95/766513495.db2.gz POJHCAUWJFFVOI-QFBILLFUSA-N 2 2 346.475 0.274 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001045943829 766513501 /nfs/dbraw/zinc/51/35/01/766513501.db2.gz POJHCAUWJFFVOI-QFBILLFUSA-N 2 2 346.475 0.274 20 30 ECEDLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046035988 766723627 /nfs/dbraw/zinc/72/36/27/766723627.db2.gz XURLDOJUHKJHNW-ZWKOTPCHSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046035988 766723636 /nfs/dbraw/zinc/72/36/36/766723636.db2.gz XURLDOJUHKJHNW-ZWKOTPCHSA-N 2 2 347.507 0.706 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046041010 766749712 /nfs/dbraw/zinc/74/97/12/766749712.db2.gz NEGATEYPUSVABP-AEFFLSMTSA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046041010 766749715 /nfs/dbraw/zinc/74/97/15/766749715.db2.gz NEGATEYPUSVABP-AEFFLSMTSA-N 2 2 343.475 0.850 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001046062538 766835044 /nfs/dbraw/zinc/83/50/44/766835044.db2.gz WBXHNJCOURLATP-HZPDHXFCSA-N 2 2 341.459 0.681 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001046062538 766835055 /nfs/dbraw/zinc/83/50/55/766835055.db2.gz WBXHNJCOURLATP-HZPDHXFCSA-N 2 2 341.459 0.681 20 30 ECEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046070511 766874333 /nfs/dbraw/zinc/87/43/33/766874333.db2.gz OOMLIEOQEGDWIS-ZWKOTPCHSA-N 2 2 347.507 0.991 20 30 ECEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046070511 766874342 /nfs/dbraw/zinc/87/43/42/766874342.db2.gz OOMLIEOQEGDWIS-ZWKOTPCHSA-N 2 2 347.507 0.991 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2oc(C)nc2C)C1 ZINC001031740494 766984351 /nfs/dbraw/zinc/98/43/51/766984351.db2.gz DFAKJEBJSRFTGC-INIZCTEOSA-N 2 2 330.432 0.937 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2oc(C)nc2C)C1 ZINC001031740494 766984354 /nfs/dbraw/zinc/98/43/54/766984354.db2.gz DFAKJEBJSRFTGC-INIZCTEOSA-N 2 2 330.432 0.937 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)CO2 ZINC001053881475 767150654 /nfs/dbraw/zinc/15/06/54/767150654.db2.gz JWLFTGZSKUPNGW-IRXDYDNUSA-N 2 2 331.460 0.844 20 30 ECEDLP Cc1c[nH+]cn1CC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055599724 769225469 /nfs/dbraw/zinc/22/54/69/769225469.db2.gz FODAFHSQDWVZQQ-CYBMUJFWSA-N 2 2 346.435 0.048 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1=O ZINC001020256995 772361011 /nfs/dbraw/zinc/36/10/11/772361011.db2.gz OCIDPKVJHKVGBS-RYPNDVFKSA-N 2 2 343.431 0.537 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1=O ZINC001020256995 772361015 /nfs/dbraw/zinc/36/10/15/772361015.db2.gz OCIDPKVJHKVGBS-RYPNDVFKSA-N 2 2 343.431 0.537 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nncs1 ZINC001045074020 774936921 /nfs/dbraw/zinc/93/69/21/774936921.db2.gz VQTXISQKHQUIKP-KBPBESRZSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nncs1 ZINC001045074020 774936923 /nfs/dbraw/zinc/93/69/23/774936923.db2.gz VQTXISQKHQUIKP-KBPBESRZSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001045510545 775716247 /nfs/dbraw/zinc/71/62/47/775716247.db2.gz BZPMIWNGPNCJSQ-SJORKVTESA-N 2 2 349.475 0.470 20 30 ECEDLP CC#CC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079262814 780936106 /nfs/dbraw/zinc/93/61/06/780936106.db2.gz CMNOASFGKPMQIB-DLBZAZTESA-N 2 2 342.443 0.915 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001070975054 784287230 /nfs/dbraw/zinc/28/72/30/784287230.db2.gz CMAOEBHQTFGXON-MRXNPFEDSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001070975054 784287232 /nfs/dbraw/zinc/28/72/32/784287232.db2.gz CMAOEBHQTFGXON-MRXNPFEDSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001070975054 784287235 /nfs/dbraw/zinc/28/72/35/784287235.db2.gz CMAOEBHQTFGXON-MRXNPFEDSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001070975054 784287244 /nfs/dbraw/zinc/28/72/44/784287244.db2.gz CMAOEBHQTFGXON-MRXNPFEDSA-N 2 2 336.480 0.697 20 30 ECEDLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)C1 ZINC001070689879 784557014 /nfs/dbraw/zinc/55/70/14/784557014.db2.gz UODRSOFZNXPBOP-RRFJBIMHSA-N 2 2 330.436 0.169 20 30 ECEDLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)C1 ZINC001070689879 784557021 /nfs/dbraw/zinc/55/70/21/784557021.db2.gz UODRSOFZNXPBOP-RRFJBIMHSA-N 2 2 330.436 0.169 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001070696085 784563742 /nfs/dbraw/zinc/56/37/42/784563742.db2.gz BHMQVIPWNABDAF-BZUAXINKSA-N 2 2 340.431 0.785 20 30 ECEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001074366103 786769735 /nfs/dbraw/zinc/76/97/35/786769735.db2.gz OVZUUQPASJUSGH-ROUUACIJSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001074366103 786769741 /nfs/dbraw/zinc/76/97/41/786769741.db2.gz OVZUUQPASJUSGH-ROUUACIJSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670855 786927542 /nfs/dbraw/zinc/92/75/42/786927542.db2.gz QCPIYYSOQGSNMQ-DOTOQJQBSA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670855 786927549 /nfs/dbraw/zinc/92/75/49/786927549.db2.gz QCPIYYSOQGSNMQ-DOTOQJQBSA-N 2 2 330.432 0.676 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C)C1=O ZINC001074996347 788688645 /nfs/dbraw/zinc/68/86/45/788688645.db2.gz FCYUFYUPXFNCQS-IHRRRGAJSA-N 2 2 331.420 0.318 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC)C[C@@H]1n1ccnn1 ZINC001069949117 790228836 /nfs/dbraw/zinc/22/88/36/790228836.db2.gz DKHVGAOHJZATIC-PMPSAXMXSA-N 2 2 330.436 0.127 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC)C[C@@H]1n1ccnn1 ZINC001069949117 790228840 /nfs/dbraw/zinc/22/88/40/790228840.db2.gz DKHVGAOHJZATIC-PMPSAXMXSA-N 2 2 330.436 0.127 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC)C[C@@H]1n1ccnn1 ZINC001069949117 790228843 /nfs/dbraw/zinc/22/88/43/790228843.db2.gz DKHVGAOHJZATIC-PMPSAXMXSA-N 2 2 330.436 0.127 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC)C[C@@H]1n1ccnn1 ZINC001069949117 790228845 /nfs/dbraw/zinc/22/88/45/790228845.db2.gz DKHVGAOHJZATIC-PMPSAXMXSA-N 2 2 330.436 0.127 20 30 ECEDLP C=CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001267491902 837558997 /nfs/dbraw/zinc/55/89/97/837558997.db2.gz PNSWUBZVJQBNGH-ZDUSSCGKSA-N 2 2 333.436 0.471 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C(C)C ZINC001266284354 835617310 /nfs/dbraw/zinc/61/73/10/835617310.db2.gz BSWYWPFZCWSRMT-HOTGVXAUSA-N 2 2 336.480 0.387 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C(C)C ZINC001266284354 835617313 /nfs/dbraw/zinc/61/73/13/835617313.db2.gz BSWYWPFZCWSRMT-HOTGVXAUSA-N 2 2 336.480 0.387 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(=O)N(C)C(C)C ZINC001266284354 835617316 /nfs/dbraw/zinc/61/73/16/835617316.db2.gz BSWYWPFZCWSRMT-HOTGVXAUSA-N 2 2 336.480 0.387 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(=O)N(C)C(C)C ZINC001266284354 835617320 /nfs/dbraw/zinc/61/73/20/835617320.db2.gz BSWYWPFZCWSRMT-HOTGVXAUSA-N 2 2 336.480 0.387 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266308598 835674516 /nfs/dbraw/zinc/67/45/16/835674516.db2.gz YLXFBRTYFISKRD-JKSUJKDBSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266308598 835674518 /nfs/dbraw/zinc/67/45/18/835674518.db2.gz YLXFBRTYFISKRD-JKSUJKDBSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266308598 835674521 /nfs/dbraw/zinc/67/45/21/835674521.db2.gz YLXFBRTYFISKRD-JKSUJKDBSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266308598 835674522 /nfs/dbraw/zinc/67/45/22/835674522.db2.gz YLXFBRTYFISKRD-JKSUJKDBSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001266342028 835727844 /nfs/dbraw/zinc/72/78/44/835727844.db2.gz OHJLZWUDBQWSQN-IRXDYDNUSA-N 2 2 348.491 0.719 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001266342028 835727850 /nfs/dbraw/zinc/72/78/50/835727850.db2.gz OHJLZWUDBQWSQN-IRXDYDNUSA-N 2 2 348.491 0.719 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001266342028 835727856 /nfs/dbraw/zinc/72/78/56/835727856.db2.gz OHJLZWUDBQWSQN-IRXDYDNUSA-N 2 2 348.491 0.719 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001266342028 835727864 /nfs/dbraw/zinc/72/78/64/835727864.db2.gz OHJLZWUDBQWSQN-IRXDYDNUSA-N 2 2 348.491 0.719 20 30 ECEDLP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+]1CC(=O)NCC#N)CC(C)(C)C ZINC001266483199 835882553 /nfs/dbraw/zinc/88/25/53/835882553.db2.gz QDUSPTQSBKHQFU-CQSZACIVSA-N 2 2 337.468 0.185 20 30 ECEDLP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N)CC(C)(C)C ZINC001266483199 835882557 /nfs/dbraw/zinc/88/25/57/835882557.db2.gz QDUSPTQSBKHQFU-CQSZACIVSA-N 2 2 337.468 0.185 20 30 ECEDLP C[NH+](CC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N)CC(C)(C)C ZINC001266483199 835882562 /nfs/dbraw/zinc/88/25/62/835882562.db2.gz QDUSPTQSBKHQFU-CQSZACIVSA-N 2 2 337.468 0.185 20 30 ECEDLP CC(C)C[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)n1cc[nH+]c1 ZINC001266532195 835949717 /nfs/dbraw/zinc/94/97/17/835949717.db2.gz YISAJGIAAVIXDI-LSDHHAIUSA-N 2 2 346.435 0.301 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266641383 836076985 /nfs/dbraw/zinc/07/69/85/836076985.db2.gz BBAZOSLRIWQKRP-KKUMJFAQSA-N 2 2 331.420 0.038 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266693307 836154678 /nfs/dbraw/zinc/15/46/78/836154678.db2.gz VIQMAVWIQHVGSQ-AEGPPILISA-N 2 2 344.415 0.007 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266790118 836305220 /nfs/dbraw/zinc/30/52/20/836305220.db2.gz CGNUPNHDRSFUFO-HUUCEWRRSA-N 2 2 345.447 0.308 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266790118 836305236 /nfs/dbraw/zinc/30/52/36/836305236.db2.gz CGNUPNHDRSFUFO-HUUCEWRRSA-N 2 2 345.447 0.308 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001266895625 836446441 /nfs/dbraw/zinc/44/64/41/836446441.db2.gz QNKQDZMOLPMYDN-CVEARBPZSA-N 2 2 345.447 0.239 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001266895625 836446445 /nfs/dbraw/zinc/44/64/45/836446445.db2.gz QNKQDZMOLPMYDN-CVEARBPZSA-N 2 2 345.447 0.239 20 30 ECEDLP C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267003724 836601440 /nfs/dbraw/zinc/60/14/40/836601440.db2.gz RCBVFIANTRXJOB-OAHLLOKOSA-N 2 2 333.436 0.404 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267112197 836800095 /nfs/dbraw/zinc/80/00/95/836800095.db2.gz PRGFAUVQDXGFPD-ZFWWWQNUSA-N 2 2 333.436 0.566 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267112197 836800102 /nfs/dbraw/zinc/80/01/02/836800102.db2.gz PRGFAUVQDXGFPD-ZFWWWQNUSA-N 2 2 333.436 0.566 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1cnc(C)cn1 ZINC001267200079 836971516 /nfs/dbraw/zinc/97/15/16/836971516.db2.gz CXOMNJYEVSLZGH-WBVHZDCISA-N 2 2 329.448 0.992 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1cnc(C)cn1 ZINC001267200079 836971525 /nfs/dbraw/zinc/97/15/25/836971525.db2.gz CXOMNJYEVSLZGH-WBVHZDCISA-N 2 2 329.448 0.992 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1cnc(C)cn1 ZINC001267200079 836971533 /nfs/dbraw/zinc/97/15/33/836971533.db2.gz CXOMNJYEVSLZGH-WBVHZDCISA-N 2 2 329.448 0.992 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1cnc(C)cn1 ZINC001267200079 836971546 /nfs/dbraw/zinc/97/15/46/836971546.db2.gz CXOMNJYEVSLZGH-WBVHZDCISA-N 2 2 329.448 0.992 20 30 ECEDLP C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267249054 837066357 /nfs/dbraw/zinc/06/63/57/837066357.db2.gz NAZSLFIAKRKGQO-HNNXBMFYSA-N 2 2 347.463 0.494 20 30 ECEDLP C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267249054 837066368 /nfs/dbraw/zinc/06/63/68/837066368.db2.gz NAZSLFIAKRKGQO-HNNXBMFYSA-N 2 2 347.463 0.494 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001267280735 837129447 /nfs/dbraw/zinc/12/94/47/837129447.db2.gz GGVLMUQDZKQEME-GDBMZVCRSA-N 2 2 345.447 0.071 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001267280735 837129454 /nfs/dbraw/zinc/12/94/54/837129454.db2.gz GGVLMUQDZKQEME-GDBMZVCRSA-N 2 2 345.447 0.071 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001267615798 837998732 /nfs/dbraw/zinc/99/87/32/837998732.db2.gz UTKBIYSROXULRE-LSDHHAIUSA-N 2 2 334.464 0.189 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001267615798 837998735 /nfs/dbraw/zinc/99/87/35/837998735.db2.gz UTKBIYSROXULRE-LSDHHAIUSA-N 2 2 334.464 0.189 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267615798 837998739 /nfs/dbraw/zinc/99/87/39/837998739.db2.gz UTKBIYSROXULRE-LSDHHAIUSA-N 2 2 334.464 0.189 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267615798 837998743 /nfs/dbraw/zinc/99/87/43/837998743.db2.gz UTKBIYSROXULRE-LSDHHAIUSA-N 2 2 334.464 0.189 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001268045122 839205840 /nfs/dbraw/zinc/20/58/40/839205840.db2.gz RNJNYHXTRADKLI-INIZCTEOSA-N 2 2 348.491 0.697 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001268045122 839205850 /nfs/dbraw/zinc/20/58/50/839205850.db2.gz RNJNYHXTRADKLI-INIZCTEOSA-N 2 2 348.491 0.697 20 30 ECEDLP C[NH+]1CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CC[NH+](C)CC3)c2)CC1 ZINC000265436938 277112113 /nfs/dbraw/zinc/11/21/13/277112113.db2.gz OLJGEDBWORICQG-UHFFFAOYSA-N 2 2 344.419 0.970 20 30 ECEDLP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000174876495 290056887 /nfs/dbraw/zinc/05/68/87/290056887.db2.gz CXOGGBXLMWHUKO-HKUYNNGSSA-N 2 2 347.507 0.897 20 30 ECEDLP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000174876495 290056889 /nfs/dbraw/zinc/05/68/89/290056889.db2.gz CXOGGBXLMWHUKO-HKUYNNGSSA-N 2 2 347.507 0.897 20 30 ECEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000077654753 436244535 /nfs/dbraw/zinc/24/45/35/436244535.db2.gz IYPSKGROLOTIJM-UHFFFAOYSA-N 2 2 346.431 0.651 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC000081667192 436354160 /nfs/dbraw/zinc/35/41/60/436354160.db2.gz SYEXNZDERQOJTI-OAHLLOKOSA-N 2 2 331.420 0.335 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)CC1 ZINC000081667192 436354161 /nfs/dbraw/zinc/35/41/61/436354161.db2.gz SYEXNZDERQOJTI-OAHLLOKOSA-N 2 2 331.420 0.335 20 30 ECEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C(C)C ZINC000272397942 436714856 /nfs/dbraw/zinc/71/48/56/436714856.db2.gz ZBEQEHDVWZOWCY-CABCVRRESA-N 2 2 345.509 0.563 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000245944938 436769487 /nfs/dbraw/zinc/76/94/87/436769487.db2.gz BGVBFQXOVVPTIN-IRXDYDNUSA-N 2 2 335.496 0.562 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000245944938 436769489 /nfs/dbraw/zinc/76/94/89/436769489.db2.gz BGVBFQXOVVPTIN-IRXDYDNUSA-N 2 2 335.496 0.562 20 30 ECEDLP C[N@H+](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000155235968 436791972 /nfs/dbraw/zinc/79/19/72/436791972.db2.gz GTJCJLILEJOSSE-OAHLLOKOSA-N 2 2 340.493 0.498 20 30 ECEDLP C[N@@H+](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)[C@@H]1CCSC1 ZINC000155235968 436791976 /nfs/dbraw/zinc/79/19/76/436791976.db2.gz GTJCJLILEJOSSE-OAHLLOKOSA-N 2 2 340.493 0.498 20 30 ECEDLP CCS(=O)(=O)CCNC(=[NH+]C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160003384 436864992 /nfs/dbraw/zinc/86/49/92/436864992.db2.gz PPJCHXRBBQEIND-ZIAGYGMSSA-N 2 2 341.481 0.776 20 30 ECEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000162613418 436909772 /nfs/dbraw/zinc/90/97/72/436909772.db2.gz ITCYBWNXZPLIKU-ROUUACIJSA-N 2 2 342.443 0.830 20 30 ECEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000162613418 436909777 /nfs/dbraw/zinc/90/97/77/436909777.db2.gz ITCYBWNXZPLIKU-ROUUACIJSA-N 2 2 342.443 0.830 20 30 ECEDLP COc1ccc(NC(=[NH2+])NC[C@H](O)C[NH+]2CCOCC2)cc1OC ZINC000264115247 437016318 /nfs/dbraw/zinc/01/63/18/437016318.db2.gz PPNOUGGFUARXHM-ZDUSSCGKSA-N 2 2 338.408 0.124 20 30 ECEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)NCCN1CCOCC1 ZINC000264997620 437100645 /nfs/dbraw/zinc/10/06/45/437100645.db2.gz UHKFSYZEQCWHAK-UHFFFAOYSA-N 2 2 330.436 0.374 20 30 ECEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1ccsc1)[NH+](C)C ZINC000265001005 437101912 /nfs/dbraw/zinc/10/19/12/437101912.db2.gz WCJJISOIGMAXCG-OAHLLOKOSA-N 2 2 339.509 0.848 20 30 ECEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000330523838 437538322 /nfs/dbraw/zinc/53/83/22/437538322.db2.gz PKBGMLXEUWFDQD-YOEHRIQHSA-N 2 2 332.452 0.985 20 30 ECEDLP C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000330919567 437650130 /nfs/dbraw/zinc/65/01/30/437650130.db2.gz YUYSWCGBPGWEHW-HNNXBMFYSA-N 2 2 328.457 0.010 20 30 ECEDLP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000330919567 437650134 /nfs/dbraw/zinc/65/01/34/437650134.db2.gz YUYSWCGBPGWEHW-HNNXBMFYSA-N 2 2 328.457 0.010 20 30 ECEDLP C[NH+](CCCO)C1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000330919567 437650139 /nfs/dbraw/zinc/65/01/39/437650139.db2.gz YUYSWCGBPGWEHW-HNNXBMFYSA-N 2 2 328.457 0.010 20 30 ECEDLP C[NH+](CCCO)C1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000330919567 437650143 /nfs/dbraw/zinc/65/01/43/437650143.db2.gz YUYSWCGBPGWEHW-HNNXBMFYSA-N 2 2 328.457 0.010 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000364350711 437814073 /nfs/dbraw/zinc/81/40/73/437814073.db2.gz AUNVOZVRWOGMPN-UHFFFAOYSA-N 2 2 343.475 0.800 20 30 ECEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000371321031 437916427 /nfs/dbraw/zinc/91/64/27/437916427.db2.gz MMWBZFZMDWMXBP-WBVHZDCISA-N 2 2 348.491 0.990 20 30 ECEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000371321031 437916432 /nfs/dbraw/zinc/91/64/32/437916432.db2.gz MMWBZFZMDWMXBP-WBVHZDCISA-N 2 2 348.491 0.990 20 30 ECEDLP CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C#N ZINC000372224069 438051228 /nfs/dbraw/zinc/05/12/28/438051228.db2.gz WDPICRVXKZJABI-GOEBONIOSA-N 2 2 334.468 0.004 20 30 ECEDLP CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C#N ZINC000372224069 438051238 /nfs/dbraw/zinc/05/12/38/438051238.db2.gz WDPICRVXKZJABI-GOEBONIOSA-N 2 2 334.468 0.004 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000378498355 438394451 /nfs/dbraw/zinc/39/44/51/438394451.db2.gz SWCUNBGVBHPNEX-KRWDZBQOSA-N 2 2 342.443 0.992 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000378498355 438394454 /nfs/dbraw/zinc/39/44/54/438394454.db2.gz SWCUNBGVBHPNEX-KRWDZBQOSA-N 2 2 342.443 0.992 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000578533029 438930904 /nfs/dbraw/zinc/93/09/04/438930904.db2.gz PNUBKUUDXDWFEY-DLBZAZTESA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000578533029 438930910 /nfs/dbraw/zinc/93/09/10/438930910.db2.gz PNUBKUUDXDWFEY-DLBZAZTESA-N 2 2 333.432 0.734 20 30 ECEDLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)CCO2 ZINC000592181120 439171878 /nfs/dbraw/zinc/17/18/78/439171878.db2.gz CRPUUPMBSKYQAD-UHFFFAOYSA-N 2 2 342.443 0.971 20 30 ECEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)CCO2 ZINC000592181120 439171885 /nfs/dbraw/zinc/17/18/85/439171885.db2.gz CRPUUPMBSKYQAD-UHFFFAOYSA-N 2 2 342.443 0.971 20 30 ECEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000527049802 439249880 /nfs/dbraw/zinc/24/98/80/439249880.db2.gz QHPOCDNGDJAJLV-IKGGRYGDSA-N 2 2 347.507 0.895 20 30 ECEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000527049802 439249884 /nfs/dbraw/zinc/24/98/84/439249884.db2.gz QHPOCDNGDJAJLV-IKGGRYGDSA-N 2 2 347.507 0.895 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000490898641 439309581 /nfs/dbraw/zinc/30/95/81/439309581.db2.gz LJLBIFWNZZFJAK-DLBZAZTESA-N 2 2 329.448 0.543 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000490898641 439309586 /nfs/dbraw/zinc/30/95/86/439309586.db2.gz LJLBIFWNZZFJAK-DLBZAZTESA-N 2 2 329.448 0.543 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000491295283 439362237 /nfs/dbraw/zinc/36/22/37/439362237.db2.gz GIXJDBMZGDUIBY-KZNAEPCWSA-N 2 2 333.476 0.779 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000491295283 439362241 /nfs/dbraw/zinc/36/22/41/439362241.db2.gz GIXJDBMZGDUIBY-KZNAEPCWSA-N 2 2 333.476 0.779 20 30 ECEDLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)CC1=O ZINC000528533555 439347049 /nfs/dbraw/zinc/34/70/49/439347049.db2.gz KTAMJVLNGNRNPR-MRXNPFEDSA-N 2 2 346.431 0.004 20 30 ECEDLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC1=O ZINC000528533555 439347052 /nfs/dbraw/zinc/34/70/52/439347052.db2.gz KTAMJVLNGNRNPR-MRXNPFEDSA-N 2 2 346.431 0.004 20 30 ECEDLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441859 439562328 /nfs/dbraw/zinc/56/23/28/439562328.db2.gz XLNFBLYAGPUPMY-DZGCQCFKSA-N 2 2 335.452 0.209 20 30 ECEDLP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ncc1C#N ZINC000595124098 439657265 /nfs/dbraw/zinc/65/72/65/439657265.db2.gz DRCNBQNSMPJSOH-UHFFFAOYSA-N 2 2 346.435 0.200 20 30 ECEDLP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)ncc1C#N ZINC000595124098 439657268 /nfs/dbraw/zinc/65/72/68/439657268.db2.gz DRCNBQNSMPJSOH-UHFFFAOYSA-N 2 2 346.435 0.200 20 30 ECEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600719653 439695507 /nfs/dbraw/zinc/69/55/07/439695507.db2.gz DFRPFBSNLJQZPD-HZPDHXFCSA-N 2 2 325.453 0.758 20 30 ECEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600719653 439695510 /nfs/dbraw/zinc/69/55/10/439695510.db2.gz DFRPFBSNLJQZPD-HZPDHXFCSA-N 2 2 325.453 0.758 20 30 ECEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C(C)C ZINC000638069302 440421155 /nfs/dbraw/zinc/42/11/55/440421155.db2.gz NVPWCMZAKIMGCE-HZPDHXFCSA-N 2 2 336.480 0.622 20 30 ECEDLP C=CCCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC000655938393 440652451 /nfs/dbraw/zinc/65/24/51/440652451.db2.gz UYSVHJKAHGGRKY-RDJZCZTQSA-N 2 2 346.479 0.934 20 30 ECEDLP C=CCCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC000655938393 440652457 /nfs/dbraw/zinc/65/24/57/440652457.db2.gz UYSVHJKAHGGRKY-RDJZCZTQSA-N 2 2 346.479 0.934 20 30 ECEDLP C=CCNC(=O)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631110278 441012326 /nfs/dbraw/zinc/01/23/26/441012326.db2.gz XDZSPURAFWRHCG-UHFFFAOYSA-N 2 2 333.432 0.789 20 30 ECEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000619717902 546363150 /nfs/dbraw/zinc/36/31/50/546363150.db2.gz XERKKSYSQRHZAI-MRXNPFEDSA-N 2 2 337.464 0.980 20 30 ECEDLP C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000668689469 547726472 /nfs/dbraw/zinc/72/64/72/547726472.db2.gz RZIDRDYCYHOYEB-KRWDZBQOSA-N 2 2 338.496 0.942 20 30 ECEDLP C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000668689469 547726477 /nfs/dbraw/zinc/72/64/77/547726477.db2.gz RZIDRDYCYHOYEB-KRWDZBQOSA-N 2 2 338.496 0.942 20 30 ECEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(C#N)cn2)CC1 ZINC000780571434 578696669 /nfs/dbraw/zinc/69/66/69/578696669.db2.gz YTZUQPOKVUZHMP-UHFFFAOYSA-N 2 2 330.436 0.778 20 30 ECEDLP C#CCOCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000784548560 578754082 /nfs/dbraw/zinc/75/40/82/578754082.db2.gz DJKZUXQKARAEAS-SJPCQFCGSA-N 2 2 334.464 0.589 20 30 ECEDLP C#CCOCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000784548560 578754083 /nfs/dbraw/zinc/75/40/83/578754083.db2.gz DJKZUXQKARAEAS-SJPCQFCGSA-N 2 2 334.464 0.589 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000770003054 579157474 /nfs/dbraw/zinc/15/74/74/579157474.db2.gz JYWQEXDAUCXTFC-MRXNPFEDSA-N 2 2 329.448 0.377 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000770003054 579157475 /nfs/dbraw/zinc/15/74/75/579157475.db2.gz JYWQEXDAUCXTFC-MRXNPFEDSA-N 2 2 329.448 0.377 20 30 ECEDLP Cc1cc(C=NNC2=[NH+]C[C@@H](C)N2)c(C)n1CC[NH+]1CCOCC1 ZINC000779806080 579321144 /nfs/dbraw/zinc/32/11/44/579321144.db2.gz ZVHFOPLOBSDGRS-CYBMUJFWSA-N 2 2 332.452 0.708 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000764999655 579581709 /nfs/dbraw/zinc/58/17/09/579581709.db2.gz LAVJUEFYVRBIMP-SFHVURJKSA-N 2 2 326.444 0.723 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000764999655 579581710 /nfs/dbraw/zinc/58/17/10/579581710.db2.gz LAVJUEFYVRBIMP-SFHVURJKSA-N 2 2 326.444 0.723 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000743764278 579801911 /nfs/dbraw/zinc/80/19/11/579801911.db2.gz CCUUTDBZCRBNGP-AZUAARDMSA-N 2 2 341.455 0.837 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000743764278 579801913 /nfs/dbraw/zinc/80/19/13/579801913.db2.gz CCUUTDBZCRBNGP-AZUAARDMSA-N 2 2 341.455 0.837 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000743764278 579801915 /nfs/dbraw/zinc/80/19/15/579801915.db2.gz CCUUTDBZCRBNGP-AZUAARDMSA-N 2 2 341.455 0.837 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000743764278 579801916 /nfs/dbraw/zinc/80/19/16/579801916.db2.gz CCUUTDBZCRBNGP-AZUAARDMSA-N 2 2 341.455 0.837 20 30 ECEDLP C#CC[C@@H](CO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000895964921 586215438 /nfs/dbraw/zinc/21/54/38/586215438.db2.gz QCFXIWQXULWLNQ-HNNXBMFYSA-N 2 2 325.453 0.949 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(c2cc(CC)[nH+]c(CC)n2)CC1 ZINC000892515015 586270887 /nfs/dbraw/zinc/27/08/87/586270887.db2.gz AKFKPLTVNLEMDE-UHFFFAOYSA-N 2 2 329.448 0.863 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2cc(CC)[nH+]c(CC)n2)CC1 ZINC000892515015 586270890 /nfs/dbraw/zinc/27/08/90/586270890.db2.gz AKFKPLTVNLEMDE-UHFFFAOYSA-N 2 2 329.448 0.863 20 30 ECEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)NCCC[NH+]1CCOCC1 ZINC000104192055 586296513 /nfs/dbraw/zinc/29/65/13/586296513.db2.gz SEFLGMGTKFVCNG-UHFFFAOYSA-N 3 2 334.468 0.900 20 30 ECEDLP S=C(NCC[NH+]1CCOCC1)NN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848400555 589292934 /nfs/dbraw/zinc/29/29/34/589292934.db2.gz LUANYBDUWBZREJ-OAHLLOKOSA-N 2 2 339.509 0.787 20 30 ECEDLP S=C(NCC[NH+]1CCOCC1)NN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848400555 589292935 /nfs/dbraw/zinc/29/29/35/589292935.db2.gz LUANYBDUWBZREJ-OAHLLOKOSA-N 2 2 339.509 0.787 20 30 ECEDLP CN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000852913074 589525149 /nfs/dbraw/zinc/52/51/49/589525149.db2.gz MMMFYNNDNKQZSA-SFHVURJKSA-N 3 2 332.492 0.616 20 30 ECEDLP CN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000852913074 589525151 /nfs/dbraw/zinc/52/51/51/589525151.db2.gz MMMFYNNDNKQZSA-SFHVURJKSA-N 3 2 332.492 0.616 20 30 ECEDLP C[NH+]1CCN(C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)CC1 ZINC000879590869 590327170 /nfs/dbraw/zinc/32/71/70/590327170.db2.gz GGAPTURYDYSMAF-GOSISDBHSA-N 2 2 333.480 0.507 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000876738119 590406586 /nfs/dbraw/zinc/40/65/86/590406586.db2.gz YYMUVFSDMFTKGG-GXTWGEPZSA-N 2 2 333.885 0.780 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000876971601 590430600 /nfs/dbraw/zinc/43/06/00/590430600.db2.gz BSDUPIVYJSSABA-WMZOPIPTSA-N 2 2 339.443 0.251 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000876971601 590430602 /nfs/dbraw/zinc/43/06/02/590430602.db2.gz BSDUPIVYJSSABA-WMZOPIPTSA-N 2 2 339.443 0.251 20 30 ECEDLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877433805 590465491 /nfs/dbraw/zinc/46/54/91/590465491.db2.gz JORGKHNCARJYTD-FUHWJXTLSA-N 2 2 342.443 0.972 20 30 ECEDLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877433805 590465494 /nfs/dbraw/zinc/46/54/94/590465494.db2.gz JORGKHNCARJYTD-FUHWJXTLSA-N 2 2 342.443 0.972 20 30 ECEDLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H](O)c1cccc(C#N)c1 ZINC000878800550 590543494 /nfs/dbraw/zinc/54/34/94/590543494.db2.gz AVPMQOBBWLCIEE-KRWDZBQOSA-N 2 2 330.432 0.734 20 30 ECEDLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H](O)c1cccc(C#N)c1 ZINC000878800550 590543495 /nfs/dbraw/zinc/54/34/95/590543495.db2.gz AVPMQOBBWLCIEE-KRWDZBQOSA-N 2 2 330.432 0.734 20 30 ECEDLP C#CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CSC1 ZINC000878913122 590551032 /nfs/dbraw/zinc/55/10/32/590551032.db2.gz BOYCCVIYNNBGAP-MRXNPFEDSA-N 2 2 339.505 0.510 20 30 ECEDLP C#CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CSC1 ZINC000878913122 590551034 /nfs/dbraw/zinc/55/10/34/590551034.db2.gz BOYCCVIYNNBGAP-MRXNPFEDSA-N 2 2 339.505 0.510 20 30 ECEDLP C#CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CSC1 ZINC000878913122 590551037 /nfs/dbraw/zinc/55/10/37/590551037.db2.gz BOYCCVIYNNBGAP-MRXNPFEDSA-N 2 2 339.505 0.510 20 30 ECEDLP C#CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CSC1 ZINC000878913122 590551038 /nfs/dbraw/zinc/55/10/38/590551038.db2.gz BOYCCVIYNNBGAP-MRXNPFEDSA-N 2 2 339.505 0.510 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000884189828 590768503 /nfs/dbraw/zinc/76/85/03/590768503.db2.gz NVEVXAYRKCVERE-KRWDZBQOSA-N 2 2 345.443 0.998 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000884189828 590768504 /nfs/dbraw/zinc/76/85/04/590768504.db2.gz NVEVXAYRKCVERE-KRWDZBQOSA-N 2 2 345.443 0.998 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000884201353 590772056 /nfs/dbraw/zinc/77/20/56/590772056.db2.gz WDDWQYWGGRTIGN-XQLPTFJDSA-N 2 2 325.453 0.916 20 30 ECEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C2 ZINC000884211016 590776688 /nfs/dbraw/zinc/77/66/88/590776688.db2.gz QINIIYHJWAHFHJ-DHADLLTHSA-N 2 2 346.475 0.839 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000890362819 591150905 /nfs/dbraw/zinc/15/09/05/591150905.db2.gz IFOJQPSYYXQKSE-GJZGRUSLSA-N 2 2 347.463 0.877 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000890362819 591150907 /nfs/dbraw/zinc/15/09/07/591150907.db2.gz IFOJQPSYYXQKSE-GJZGRUSLSA-N 2 2 347.463 0.877 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[NH+](CC#C)CCO2 ZINC000949386091 608664690 /nfs/dbraw/zinc/66/46/90/608664690.db2.gz RABBOWRTKPGIJA-KRWDZBQOSA-N 2 2 329.444 0.411 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[NH+](CC#C)CCO2 ZINC000949386091 608664692 /nfs/dbraw/zinc/66/46/92/608664692.db2.gz RABBOWRTKPGIJA-KRWDZBQOSA-N 2 2 329.444 0.411 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](CC#C)CCO2 ZINC000949386091 608664696 /nfs/dbraw/zinc/66/46/96/608664696.db2.gz RABBOWRTKPGIJA-KRWDZBQOSA-N 2 2 329.444 0.411 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](CC#C)CCO2 ZINC000949386091 608664699 /nfs/dbraw/zinc/66/46/99/608664699.db2.gz RABBOWRTKPGIJA-KRWDZBQOSA-N 2 2 329.444 0.411 20 30 ECEDLP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158611520 608896942 /nfs/dbraw/zinc/89/69/42/608896942.db2.gz VABUJSMCOKFSIS-UHFFFAOYSA-N 2 2 344.525 0.945 20 30 ECEDLP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158611520 608896943 /nfs/dbraw/zinc/89/69/43/608896943.db2.gz VABUJSMCOKFSIS-UHFFFAOYSA-N 2 2 344.525 0.945 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000938529663 609844428 /nfs/dbraw/zinc/84/44/28/609844428.db2.gz VVPISEBFVHTURG-HNNXBMFYSA-N 2 2 343.431 0.015 20 30 ECEDLP C#CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000917006859 609957402 /nfs/dbraw/zinc/95/74/02/609957402.db2.gz HTDZASDHLBTCDT-HZPDHXFCSA-N 2 2 336.480 0.835 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443372 610308479 /nfs/dbraw/zinc/30/84/79/610308479.db2.gz MJLIHTCMMZYFBS-QGZVFWFLSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443372 610308481 /nfs/dbraw/zinc/30/84/81/610308481.db2.gz MJLIHTCMMZYFBS-QGZVFWFLSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941436674 610314288 /nfs/dbraw/zinc/31/42/88/610314288.db2.gz ATESEZHCXWPNIF-KRWDZBQOSA-N 2 2 341.459 0.612 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001024987040 738461261 /nfs/dbraw/zinc/46/12/61/738461261.db2.gz AVNRSVMAFTVONK-SJORKVTESA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001024987040 738461265 /nfs/dbraw/zinc/46/12/65/738461265.db2.gz AVNRSVMAFTVONK-SJORKVTESA-N 2 2 344.463 0.383 20 30 ECEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276023 738513195 /nfs/dbraw/zinc/51/31/95/738513195.db2.gz JFMFBRSWXVRWCO-YESZJQIVSA-N 2 2 337.464 0.442 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276023 738513197 /nfs/dbraw/zinc/51/31/97/738513197.db2.gz JFMFBRSWXVRWCO-YESZJQIVSA-N 2 2 337.464 0.442 20 30 ECEDLP C#CCC[N@@H+](CCO)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001098550534 734454355 /nfs/dbraw/zinc/45/43/55/734454355.db2.gz SCLCPAHXTCVLFS-UHFFFAOYSA-N 2 2 332.448 0.661 20 30 ECEDLP C#CCC[N@H+](CCO)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001098550534 734454357 /nfs/dbraw/zinc/45/43/57/734454357.db2.gz SCLCPAHXTCVLFS-UHFFFAOYSA-N 2 2 332.448 0.661 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(C)nc2)C1 ZINC000971703247 734963985 /nfs/dbraw/zinc/96/39/85/734963985.db2.gz BJNDDGSZDQHJRX-MSOLQXFVSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(C)nc2)C1 ZINC000971703247 734963988 /nfs/dbraw/zinc/96/39/88/734963988.db2.gz BJNDDGSZDQHJRX-MSOLQXFVSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCOC)CCO2 ZINC000972415886 736156436 /nfs/dbraw/zinc/15/64/36/736156436.db2.gz BFOBNZGLSBTFEN-FUHWJXTLSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCOC)CCO2 ZINC000972415886 736156438 /nfs/dbraw/zinc/15/64/38/736156438.db2.gz BFOBNZGLSBTFEN-FUHWJXTLSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CCOC)CCO2 ZINC000972415886 736156441 /nfs/dbraw/zinc/15/64/41/736156441.db2.gz BFOBNZGLSBTFEN-FUHWJXTLSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CCOC)CCO2 ZINC000972415886 736156444 /nfs/dbraw/zinc/15/64/44/736156444.db2.gz BFOBNZGLSBTFEN-FUHWJXTLSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C[C@H](C)O2 ZINC001098577373 736914344 /nfs/dbraw/zinc/91/43/44/736914344.db2.gz CTTDLOQVFDBRIC-HOTGVXAUSA-N 2 2 335.448 0.032 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@H](C)O2 ZINC001098577373 736914347 /nfs/dbraw/zinc/91/43/47/736914347.db2.gz CTTDLOQVFDBRIC-HOTGVXAUSA-N 2 2 335.448 0.032 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC000972722973 737548558 /nfs/dbraw/zinc/54/85/58/737548558.db2.gz FXPJHCHHIRWSLY-GOEBONIOSA-N 2 2 345.447 0.282 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC000972722973 737548561 /nfs/dbraw/zinc/54/85/61/737548561.db2.gz FXPJHCHHIRWSLY-GOEBONIOSA-N 2 2 345.447 0.282 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104909133 740908169 /nfs/dbraw/zinc/90/81/69/740908169.db2.gz ZJNBQGCWCSCHIB-HUUCEWRRSA-N 2 2 347.463 0.339 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000974223997 741128901 /nfs/dbraw/zinc/12/89/01/741128901.db2.gz DENRGHFMZXHFJD-GASCZTMLSA-N 2 2 343.431 0.061 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nonc2C)CC1 ZINC001026508609 741495524 /nfs/dbraw/zinc/49/55/24/741495524.db2.gz ALIYERXPVOPECZ-DQPZFDDXSA-N 2 2 345.447 0.993 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nonc2C)CC1 ZINC001026508609 741495527 /nfs/dbraw/zinc/49/55/27/741495527.db2.gz ALIYERXPVOPECZ-DQPZFDDXSA-N 2 2 345.447 0.993 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243910 741543205 /nfs/dbraw/zinc/54/32/05/741543205.db2.gz LIUKOIHNPHTNLN-JKSUJKDBSA-N 2 2 330.436 0.115 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243910 741543207 /nfs/dbraw/zinc/54/32/07/741543207.db2.gz LIUKOIHNPHTNLN-JKSUJKDBSA-N 2 2 330.436 0.115 20 30 ECEDLP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261992265 743311770 /nfs/dbraw/zinc/31/17/70/743311770.db2.gz ROMHAVFZRFUYON-UHFFFAOYSA-N 2 2 344.525 0.945 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000999391190 744671584 /nfs/dbraw/zinc/67/15/84/744671584.db2.gz IUTXGDZMWCHPGL-WBVHZDCISA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000999391190 744671585 /nfs/dbraw/zinc/67/15/85/744671585.db2.gz IUTXGDZMWCHPGL-WBVHZDCISA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2ccnn2C)CC1 ZINC001000790834 745768018 /nfs/dbraw/zinc/76/80/18/745768018.db2.gz JFWVWFJCWSQZFH-SFHVURJKSA-N 2 2 341.459 0.766 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2ccnn2C)CC1 ZINC001000790834 745768022 /nfs/dbraw/zinc/76/80/22/745768022.db2.gz JFWVWFJCWSQZFH-SFHVURJKSA-N 2 2 341.459 0.766 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](Cc2ccnn2C)CC1 ZINC001000790834 745768025 /nfs/dbraw/zinc/76/80/25/745768025.db2.gz JFWVWFJCWSQZFH-SFHVURJKSA-N 2 2 341.459 0.766 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](Cc2ccnn2C)CC1 ZINC001000790834 745768028 /nfs/dbraw/zinc/76/80/28/745768028.db2.gz JFWVWFJCWSQZFH-SFHVURJKSA-N 2 2 341.459 0.766 20 30 ECEDLP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)Cc3c[nH+]cn3C)C2)nn1 ZINC001105360970 752059986 /nfs/dbraw/zinc/05/99/86/752059986.db2.gz LWHFMTZDJMZEPI-UHFFFAOYSA-N 2 2 343.435 0.693 20 30 ECEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978638766 746530427 /nfs/dbraw/zinc/53/04/27/746530427.db2.gz MTNLSKVPTKGQOY-OKYOBFRVSA-N 2 2 345.487 0.947 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978638766 746530429 /nfs/dbraw/zinc/53/04/29/746530429.db2.gz MTNLSKVPTKGQOY-OKYOBFRVSA-N 2 2 345.487 0.947 20 30 ECEDLP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978638766 746530433 /nfs/dbraw/zinc/53/04/33/746530433.db2.gz MTNLSKVPTKGQOY-OKYOBFRVSA-N 2 2 345.487 0.947 20 30 ECEDLP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978638766 746530434 /nfs/dbraw/zinc/53/04/34/746530434.db2.gz MTNLSKVPTKGQOY-OKYOBFRVSA-N 2 2 345.487 0.947 20 30 ECEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053076 747159542 /nfs/dbraw/zinc/15/95/42/747159542.db2.gz SXBFEGYBKZLNHV-QYZOEREBSA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053076 747159544 /nfs/dbraw/zinc/15/95/44/747159544.db2.gz SXBFEGYBKZLNHV-QYZOEREBSA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053076 747159547 /nfs/dbraw/zinc/15/95/47/747159547.db2.gz SXBFEGYBKZLNHV-QYZOEREBSA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053076 747159549 /nfs/dbraw/zinc/15/95/49/747159549.db2.gz SXBFEGYBKZLNHV-QYZOEREBSA-N 2 2 345.487 0.901 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CC[NH+]3CCOCC3)C2)nn1 ZINC001105342464 747571130 /nfs/dbraw/zinc/57/11/30/747571130.db2.gz GCQKSMCNWXJBIF-UHFFFAOYSA-N 2 2 348.451 0.049 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC#Cc2ccccc2)C1 ZINC001027805325 747920208 /nfs/dbraw/zinc/92/02/08/747920208.db2.gz QXADGRZZMRKHDD-RBUKOAKNSA-N 2 2 341.455 0.949 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC#Cc2ccccc2)C1 ZINC001027805325 747920211 /nfs/dbraw/zinc/92/02/11/747920211.db2.gz QXADGRZZMRKHDD-RBUKOAKNSA-N 2 2 341.455 0.949 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001027805325 747920213 /nfs/dbraw/zinc/92/02/13/747920213.db2.gz QXADGRZZMRKHDD-RBUKOAKNSA-N 2 2 341.455 0.949 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccccc2)C1 ZINC001027805325 747920215 /nfs/dbraw/zinc/92/02/15/747920215.db2.gz QXADGRZZMRKHDD-RBUKOAKNSA-N 2 2 341.455 0.949 20 30 ECEDLP C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001088241873 747950608 /nfs/dbraw/zinc/95/06/08/747950608.db2.gz JIBAABPKISHGII-KRWDZBQOSA-N 2 2 330.432 0.846 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001088241873 747950613 /nfs/dbraw/zinc/95/06/13/747950613.db2.gz JIBAABPKISHGII-KRWDZBQOSA-N 2 2 330.432 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3nonc3C)CC2)CC1 ZINC001004207570 749317073 /nfs/dbraw/zinc/31/70/73/749317073.db2.gz GNDIKDKDKUMVFK-UHFFFAOYSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCn1cccn1 ZINC001027939134 749643070 /nfs/dbraw/zinc/64/30/70/749643070.db2.gz IGFQQBAHLUIYSB-SJORKVTESA-N 2 2 329.448 0.561 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCn1cccn1 ZINC001027939134 749643075 /nfs/dbraw/zinc/64/30/75/749643075.db2.gz IGFQQBAHLUIYSB-SJORKVTESA-N 2 2 329.448 0.561 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCn1cccn1 ZINC001027939134 749643081 /nfs/dbraw/zinc/64/30/81/749643081.db2.gz IGFQQBAHLUIYSB-SJORKVTESA-N 2 2 329.448 0.561 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCn1cccn1 ZINC001027939134 749643086 /nfs/dbraw/zinc/64/30/86/749643086.db2.gz IGFQQBAHLUIYSB-SJORKVTESA-N 2 2 329.448 0.561 20 30 ECEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC001105366387 752463184 /nfs/dbraw/zinc/46/31/84/752463184.db2.gz MBZCUSDFSASSMG-UHFFFAOYSA-N 2 2 327.392 0.049 20 30 ECEDLP C=CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001098649780 753705548 /nfs/dbraw/zinc/70/55/48/753705548.db2.gz VQYFQAVUPFYEQU-CVEARBPZSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001098649780 753705551 /nfs/dbraw/zinc/70/55/51/753705551.db2.gz VQYFQAVUPFYEQU-CVEARBPZSA-N 2 2 348.451 0.048 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001098685304 753765601 /nfs/dbraw/zinc/76/56/01/753765601.db2.gz FCXZCVNQNKGVAN-HZPDHXFCSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685304 753765607 /nfs/dbraw/zinc/76/56/07/753765607.db2.gz FCXZCVNQNKGVAN-HZPDHXFCSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC(=O)N3CCC3)CC2)CC1 ZINC000989734713 754365697 /nfs/dbraw/zinc/36/56/97/754365697.db2.gz AAJHLZDXJZXRKD-UHFFFAOYSA-N 2 2 346.475 0.098 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC(=O)N3CCC3)CC2)CC1 ZINC000989734713 754365708 /nfs/dbraw/zinc/36/57/08/754365708.db2.gz AAJHLZDXJZXRKD-UHFFFAOYSA-N 2 2 346.475 0.098 20 30 ECEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028711432 754792413 /nfs/dbraw/zinc/79/24/13/754792413.db2.gz AWDAREPEWYRABJ-MSOLQXFVSA-N 2 2 333.476 0.949 20 30 ECEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028711432 754792415 /nfs/dbraw/zinc/79/24/15/754792415.db2.gz AWDAREPEWYRABJ-MSOLQXFVSA-N 2 2 333.476 0.949 20 30 ECEDLP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001028711432 754792417 /nfs/dbraw/zinc/79/24/17/754792417.db2.gz AWDAREPEWYRABJ-MSOLQXFVSA-N 2 2 333.476 0.949 20 30 ECEDLP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001028711432 754792419 /nfs/dbraw/zinc/79/24/19/754792419.db2.gz AWDAREPEWYRABJ-MSOLQXFVSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001088762940 755596149 /nfs/dbraw/zinc/59/61/49/755596149.db2.gz DOWRPAGSBTYWSN-BDXSIMOUSA-N 2 2 349.475 0.469 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001088762940 755596152 /nfs/dbraw/zinc/59/61/52/755596152.db2.gz DOWRPAGSBTYWSN-BDXSIMOUSA-N 2 2 349.475 0.469 20 30 ECEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105673497 755800898 /nfs/dbraw/zinc/80/08/98/755800898.db2.gz MFKZLDUJBDZVQA-ZAWLATJESA-N 2 2 344.459 0.873 20 30 ECEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076812912 757259538 /nfs/dbraw/zinc/25/95/38/757259538.db2.gz XQHNDVYOWPHBLU-BRWVUGGUSA-N 2 2 328.416 0.314 20 30 ECEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076812912 757259544 /nfs/dbraw/zinc/25/95/44/757259544.db2.gz XQHNDVYOWPHBLU-BRWVUGGUSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076812912 757259549 /nfs/dbraw/zinc/25/95/49/757259549.db2.gz XQHNDVYOWPHBLU-BRWVUGGUSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076812912 757259556 /nfs/dbraw/zinc/25/95/56/757259556.db2.gz XQHNDVYOWPHBLU-BRWVUGGUSA-N 2 2 328.416 0.314 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)C1=O ZINC000996355915 757458420 /nfs/dbraw/zinc/45/84/20/757458420.db2.gz ORTPKDVCCQVESE-CABCVRRESA-N 2 2 345.447 0.566 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)C1=O ZINC001049131874 758071113 /nfs/dbraw/zinc/07/11/13/758071113.db2.gz SPXFVUXUSUHTMI-QLFBSQMISA-N 2 2 343.431 0.129 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)C1=O ZINC001049131874 758071120 /nfs/dbraw/zinc/07/11/20/758071120.db2.gz SPXFVUXUSUHTMI-QLFBSQMISA-N 2 2 343.431 0.129 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1=O ZINC000996650469 758308608 /nfs/dbraw/zinc/30/86/08/758308608.db2.gz IUXSOODECXDYNX-MRXNPFEDSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1=O ZINC000996650469 758308620 /nfs/dbraw/zinc/30/86/20/758308620.db2.gz IUXSOODECXDYNX-MRXNPFEDSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001022221935 758442673 /nfs/dbraw/zinc/44/26/73/758442673.db2.gz RZIWIDJSLRWQCB-LZWOXQAQSA-N 2 2 330.436 0.132 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001022221935 758442679 /nfs/dbraw/zinc/44/26/79/758442679.db2.gz RZIWIDJSLRWQCB-LZWOXQAQSA-N 2 2 330.436 0.132 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csnc2OC)C1 ZINC001022222218 758443190 /nfs/dbraw/zinc/44/31/90/758443190.db2.gz VRPXCPAVBHITJJ-ZNMIVQPWSA-N 2 2 348.472 0.986 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csnc2OC)C1 ZINC001022222218 758443195 /nfs/dbraw/zinc/44/31/95/758443195.db2.gz VRPXCPAVBHITJJ-ZNMIVQPWSA-N 2 2 348.472 0.986 20 30 ECEDLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083573579 758840335 /nfs/dbraw/zinc/84/03/35/758840335.db2.gz NRDGNSZVCXSJBI-KURKYZTESA-N 2 2 342.443 0.704 20 30 ECEDLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083573579 758840344 /nfs/dbraw/zinc/84/03/44/758840344.db2.gz NRDGNSZVCXSJBI-KURKYZTESA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083573579 758840351 /nfs/dbraw/zinc/84/03/51/758840351.db2.gz NRDGNSZVCXSJBI-KURKYZTESA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083573579 758840360 /nfs/dbraw/zinc/84/03/60/758840360.db2.gz NRDGNSZVCXSJBI-KURKYZTESA-N 2 2 342.443 0.704 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001050922075 761148528 /nfs/dbraw/zinc/14/85/28/761148528.db2.gz XXBGPIWNCVEEOF-MRXNPFEDSA-N 2 2 349.479 0.842 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001050922075 761148533 /nfs/dbraw/zinc/14/85/33/761148533.db2.gz XXBGPIWNCVEEOF-MRXNPFEDSA-N 2 2 349.479 0.842 20 30 ECEDLP C#CC[NH+]1CCc2c(CNC(=O)[C@@H]3C[N@H+](C)CCO3)cccc2C1 ZINC001051284630 761825005 /nfs/dbraw/zinc/82/50/05/761825005.db2.gz ZBFCGMXLDSEXRY-SFHVURJKSA-N 2 2 327.428 0.625 20 30 ECEDLP C#CC[NH+]1CCc2c(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)cccc2C1 ZINC001051284630 761825012 /nfs/dbraw/zinc/82/50/12/761825012.db2.gz ZBFCGMXLDSEXRY-SFHVURJKSA-N 2 2 327.428 0.625 20 30 ECEDLP C#CC[N@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+](C)CCO3)cccc2C1 ZINC001051284630 761825020 /nfs/dbraw/zinc/82/50/20/761825020.db2.gz ZBFCGMXLDSEXRY-SFHVURJKSA-N 2 2 327.428 0.625 20 30 ECEDLP C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3C[NH+](C)CCO3)cccc2C1 ZINC001051284630 761825025 /nfs/dbraw/zinc/82/50/25/761825025.db2.gz ZBFCGMXLDSEXRY-SFHVURJKSA-N 2 2 327.428 0.625 20 30 ECEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)cc1 ZINC001051884576 763212203 /nfs/dbraw/zinc/21/22/03/763212203.db2.gz QKISLOHQMOSTGN-MRXNPFEDSA-N 2 2 339.399 0.841 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046994869 763532479 /nfs/dbraw/zinc/53/24/79/763532479.db2.gz HMFXIKPIYRIENT-LSDHHAIUSA-N 2 2 343.418 0.804 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994869 763532488 /nfs/dbraw/zinc/53/24/88/763532488.db2.gz HMFXIKPIYRIENT-LSDHHAIUSA-N 2 2 343.418 0.804 20 30 ECEDLP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046994869 763532495 /nfs/dbraw/zinc/53/24/95/763532495.db2.gz HMFXIKPIYRIENT-LSDHHAIUSA-N 2 2 343.418 0.804 20 30 ECEDLP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046994869 763532505 /nfs/dbraw/zinc/53/25/05/763532505.db2.gz HMFXIKPIYRIENT-LSDHHAIUSA-N 2 2 343.418 0.804 20 30 ECEDLP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046995881 763535544 /nfs/dbraw/zinc/53/55/44/763535544.db2.gz MDAYJCZYQPPJME-UONOGXRCSA-N 2 2 331.407 0.967 20 30 ECEDLP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046995881 763535549 /nfs/dbraw/zinc/53/55/49/763535549.db2.gz MDAYJCZYQPPJME-UONOGXRCSA-N 2 2 331.407 0.967 20 30 ECEDLP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046995881 763535554 /nfs/dbraw/zinc/53/55/54/763535554.db2.gz MDAYJCZYQPPJME-UONOGXRCSA-N 2 2 331.407 0.967 20 30 ECEDLP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046995881 763535558 /nfs/dbraw/zinc/53/55/58/763535558.db2.gz MDAYJCZYQPPJME-UONOGXRCSA-N 2 2 331.407 0.967 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001052035602 763643854 /nfs/dbraw/zinc/64/38/54/763643854.db2.gz FFTTYURPOKMBKV-RBUKOAKNSA-N 2 2 346.519 0.816 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001052035602 763643858 /nfs/dbraw/zinc/64/38/58/763643858.db2.gz FFTTYURPOKMBKV-RBUKOAKNSA-N 2 2 346.519 0.816 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001015090205 763860975 /nfs/dbraw/zinc/86/09/75/763860975.db2.gz PUOJOIQIRJTLCH-CVEARBPZSA-N 2 2 346.475 0.592 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001015090205 763860985 /nfs/dbraw/zinc/86/09/85/763860985.db2.gz PUOJOIQIRJTLCH-CVEARBPZSA-N 2 2 346.475 0.592 20 30 ECEDLP CC(C)[C@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)[NH+]1CCCC1 ZINC001052119637 763936351 /nfs/dbraw/zinc/93/63/51/763936351.db2.gz SZCJRKUCEYGUML-ZWKOTPCHSA-N 2 2 347.507 0.849 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777722 764101360 /nfs/dbraw/zinc/10/13/60/764101360.db2.gz JDKMFTCIQQJPPT-KEYYUXOJSA-N 2 2 325.428 0.384 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777722 764101370 /nfs/dbraw/zinc/10/13/70/764101370.db2.gz JDKMFTCIQQJPPT-KEYYUXOJSA-N 2 2 325.428 0.384 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777722 764101379 /nfs/dbraw/zinc/10/13/79/764101379.db2.gz JDKMFTCIQQJPPT-KEYYUXOJSA-N 2 2 325.428 0.384 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777722 764101385 /nfs/dbraw/zinc/10/13/85/764101385.db2.gz JDKMFTCIQQJPPT-KEYYUXOJSA-N 2 2 325.428 0.384 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001047388234 764187196 /nfs/dbraw/zinc/18/71/96/764187196.db2.gz MAAUAAGPADTWDZ-IKGGRYGDSA-N 2 2 347.463 0.870 20 30 ECEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001047388234 764187199 /nfs/dbraw/zinc/18/71/99/764187199.db2.gz MAAUAAGPADTWDZ-IKGGRYGDSA-N 2 2 347.463 0.870 20 30 ECEDLP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001047388234 764187203 /nfs/dbraw/zinc/18/72/03/764187203.db2.gz MAAUAAGPADTWDZ-IKGGRYGDSA-N 2 2 347.463 0.870 20 30 ECEDLP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001047388234 764187207 /nfs/dbraw/zinc/18/72/07/764187207.db2.gz MAAUAAGPADTWDZ-IKGGRYGDSA-N 2 2 347.463 0.870 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1=O ZINC001052749727 765063311 /nfs/dbraw/zinc/06/33/11/765063311.db2.gz ZLSQRXSBTPKKLO-ZBFHGGJFSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1=O ZINC001052749727 765063319 /nfs/dbraw/zinc/06/33/19/765063319.db2.gz ZLSQRXSBTPKKLO-ZBFHGGJFSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CCO2 ZINC001053392976 766072846 /nfs/dbraw/zinc/07/28/46/766072846.db2.gz HQPMJLBVXHTBNZ-INIZCTEOSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CCO2 ZINC001053392976 766072851 /nfs/dbraw/zinc/07/28/51/766072851.db2.gz HQPMJLBVXHTBNZ-INIZCTEOSA-N 2 2 337.464 0.585 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC001016335881 766141336 /nfs/dbraw/zinc/14/13/36/766141336.db2.gz HAGUDASCKDSJEU-INIZCTEOSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)C2)CC1 ZINC001016335881 766141341 /nfs/dbraw/zinc/14/13/41/766141341.db2.gz HAGUDASCKDSJEU-INIZCTEOSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)C1 ZINC001046039649 766744022 /nfs/dbraw/zinc/74/40/22/766744022.db2.gz UNACKKBGIPTKRL-QGZVFWFLSA-N 2 2 343.475 0.778 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)C1 ZINC001046039649 766744024 /nfs/dbraw/zinc/74/40/24/766744024.db2.gz UNACKKBGIPTKRL-QGZVFWFLSA-N 2 2 343.475 0.778 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046046803 766775536 /nfs/dbraw/zinc/77/55/36/766775536.db2.gz DOXAPGUFXPBCDX-INIZCTEOSA-N 2 2 331.464 0.757 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046046803 766775540 /nfs/dbraw/zinc/77/55/40/766775540.db2.gz DOXAPGUFXPBCDX-INIZCTEOSA-N 2 2 331.464 0.757 20 30 ECEDLP C[C@@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)[NH+]1CCCCCC1 ZINC001046068747 766864665 /nfs/dbraw/zinc/86/46/65/766864665.db2.gz SCNSNJPLVLXMRE-ROUUACIJSA-N 2 2 347.507 0.993 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)CO2 ZINC001053828695 766959461 /nfs/dbraw/zinc/95/94/61/766959461.db2.gz XTIKEUCXZSDVGD-SJORKVTESA-N 2 2 333.476 0.947 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CO2 ZINC001053828695 766959469 /nfs/dbraw/zinc/95/94/69/766959469.db2.gz XTIKEUCXZSDVGD-SJORKVTESA-N 2 2 333.476 0.947 20 30 ECEDLP C#CCCCC(=O)NC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001055596046 769214405 /nfs/dbraw/zinc/21/44/05/769214405.db2.gz PKKQBWRNCFJWIY-UHFFFAOYSA-N 2 2 345.447 0.383 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1 ZINC001018665337 769737928 /nfs/dbraw/zinc/73/79/28/769737928.db2.gz QFKMHXQNJCHGQR-RDJZCZTQSA-N 2 2 346.406 0.718 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1 ZINC001018665337 769737933 /nfs/dbraw/zinc/73/79/33/769737933.db2.gz QFKMHXQNJCHGQR-RDJZCZTQSA-N 2 2 346.406 0.718 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(CC)no2)C1 ZINC001018985426 770482434 /nfs/dbraw/zinc/48/24/34/770482434.db2.gz RWTXPFCECMHZTP-ILXRZTDVSA-N 2 2 345.447 0.981 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nc(CC)no2)C1 ZINC001018985426 770482436 /nfs/dbraw/zinc/48/24/36/770482436.db2.gz RWTXPFCECMHZTP-ILXRZTDVSA-N 2 2 345.447 0.981 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC001018986074 770485927 /nfs/dbraw/zinc/48/59/27/770485927.db2.gz QOXUBQZBMLMHEV-GJZGRUSLSA-N 2 2 345.447 0.981 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C(C)C)o2)C1 ZINC001018986074 770485929 /nfs/dbraw/zinc/48/59/29/770485929.db2.gz QOXUBQZBMLMHEV-GJZGRUSLSA-N 2 2 345.447 0.981 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nc(C)no3)C2)CC1 ZINC001019812499 771827262 /nfs/dbraw/zinc/82/72/62/771827262.db2.gz RMTJHCPBJSYXNS-BBRMVZONSA-N 2 2 345.447 0.975 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1 ZINC001020045752 772106557 /nfs/dbraw/zinc/10/65/57/772106557.db2.gz KDGMCLWQVRELLL-BFYDXBDKSA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1 ZINC001020045752 772106560 /nfs/dbraw/zinc/10/65/60/772106560.db2.gz KDGMCLWQVRELLL-BFYDXBDKSA-N 2 2 346.406 0.765 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001020250499 772351099 /nfs/dbraw/zinc/35/10/99/772351099.db2.gz GGAZLAMZCSBOAH-AJNGGQMLSA-N 2 2 330.436 0.211 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001020250499 772351100 /nfs/dbraw/zinc/35/11/00/772351100.db2.gz GGAZLAMZCSBOAH-AJNGGQMLSA-N 2 2 330.436 0.211 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C)s2)C1 ZINC001020250927 772352025 /nfs/dbraw/zinc/35/20/25/772352025.db2.gz WTENAQHSLIIXKK-IHRRRGAJSA-N 2 2 333.461 0.681 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C)s2)C1 ZINC001020250927 772352032 /nfs/dbraw/zinc/35/20/32/772352032.db2.gz WTENAQHSLIIXKK-IHRRRGAJSA-N 2 2 333.461 0.681 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)C1=O ZINC001045142483 775044397 /nfs/dbraw/zinc/04/43/97/775044397.db2.gz JUDUTYPAMSEHFZ-HOTGVXAUSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)C1=O ZINC001045329245 775426548 /nfs/dbraw/zinc/42/65/48/775426548.db2.gz CPACIKOSOQKIHW-LSDHHAIUSA-N 2 2 331.420 0.251 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)C1=O ZINC001045329244 775427203 /nfs/dbraw/zinc/42/72/03/775427203.db2.gz CPACIKOSOQKIHW-GJZGRUSLSA-N 2 2 331.420 0.251 20 30 ECEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060274 790476269 /nfs/dbraw/zinc/47/62/69/790476269.db2.gz NNOIPXDUCYUAFR-SJORKVTESA-N 2 2 346.479 0.928 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060274 790476277 /nfs/dbraw/zinc/47/62/77/790476277.db2.gz NNOIPXDUCYUAFR-SJORKVTESA-N 2 2 346.479 0.928 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001070109119 790633386 /nfs/dbraw/zinc/63/33/86/790633386.db2.gz GIUNTBWVTQTWBY-CABCVRRESA-N 2 2 329.408 0.483 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001070109119 790633389 /nfs/dbraw/zinc/63/33/89/790633389.db2.gz GIUNTBWVTQTWBY-CABCVRRESA-N 2 2 329.408 0.483 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670511 786924877 /nfs/dbraw/zinc/92/48/77/786924877.db2.gz IFRRHSYQEQEUMG-NVXWUHKLSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670511 786924883 /nfs/dbraw/zinc/92/48/83/786924883.db2.gz IFRRHSYQEQEUMG-NVXWUHKLSA-N 2 2 330.432 0.676 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C)C1=O ZINC001074996348 788688389 /nfs/dbraw/zinc/68/83/89/788688389.db2.gz FCYUFYUPXFNCQS-MELADBBJSA-N 2 2 331.420 0.318 20 30 ECEDLP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267488940 837552913 /nfs/dbraw/zinc/55/29/13/837552913.db2.gz SDBFBHJVZZLAOP-CABCVRRESA-N 2 2 337.468 0.279 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(=O)NCC)CC2 ZINC001266374242 835787509 /nfs/dbraw/zinc/78/75/09/835787509.db2.gz UZYIPKDQOVOELS-JKSUJKDBSA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(=O)NCC)CC2 ZINC001266374242 835787515 /nfs/dbraw/zinc/78/75/15/835787515.db2.gz UZYIPKDQOVOELS-JKSUJKDBSA-N 2 2 346.475 0.191 20 30 ECEDLP C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001266417571 835822446 /nfs/dbraw/zinc/82/24/46/835822446.db2.gz BTUYXOWXWDZKHD-HNNXBMFYSA-N 2 2 347.463 0.494 20 30 ECEDLP C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001266417571 835822451 /nfs/dbraw/zinc/82/24/51/835822451.db2.gz BTUYXOWXWDZKHD-HNNXBMFYSA-N 2 2 347.463 0.494 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266486767 835886511 /nfs/dbraw/zinc/88/65/11/835886511.db2.gz UEUVHTMGDWUVJF-OVYGPGRDSA-N 2 2 348.491 0.693 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266486767 835886515 /nfs/dbraw/zinc/88/65/15/835886515.db2.gz UEUVHTMGDWUVJF-OVYGPGRDSA-N 2 2 348.491 0.693 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266486767 835886519 /nfs/dbraw/zinc/88/65/19/835886519.db2.gz UEUVHTMGDWUVJF-OVYGPGRDSA-N 2 2 348.491 0.693 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266486767 835886525 /nfs/dbraw/zinc/88/65/25/835886525.db2.gz UEUVHTMGDWUVJF-OVYGPGRDSA-N 2 2 348.491 0.693 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266521102 835935799 /nfs/dbraw/zinc/93/57/99/835935799.db2.gz ZUNHYGILSHWNHW-GJZGRUSLSA-N 2 2 345.447 0.186 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266521102 835935803 /nfs/dbraw/zinc/93/58/03/835935803.db2.gz ZUNHYGILSHWNHW-GJZGRUSLSA-N 2 2 345.447 0.186 20 30 ECEDLP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001266755564 836250720 /nfs/dbraw/zinc/25/07/20/836250720.db2.gz RFGHNNLJNILEAW-INIZCTEOSA-N 2 2 332.448 0.831 20 30 ECEDLP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001266755564 836250734 /nfs/dbraw/zinc/25/07/34/836250734.db2.gz RFGHNNLJNILEAW-INIZCTEOSA-N 2 2 332.448 0.831 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001266793932 836312615 /nfs/dbraw/zinc/31/26/15/836312615.db2.gz VFBWOADIWHMPTL-ARFHVFGLSA-N 2 2 330.432 0.991 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001266793932 836312626 /nfs/dbraw/zinc/31/26/26/836312626.db2.gz VFBWOADIWHMPTL-ARFHVFGLSA-N 2 2 330.432 0.991 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001267053476 836687825 /nfs/dbraw/zinc/68/78/25/836687825.db2.gz PIDOVVYSXZHXAS-LSDHHAIUSA-N 2 2 333.436 0.402 20 30 ECEDLP C[C@@H](CC(=O)NC1(C[NH2+]CC(=O)NCC#N)CCCC1)n1cc[nH+]c1 ZINC001267843720 838642084 /nfs/dbraw/zinc/64/20/84/838642084.db2.gz LIZVODLFTGOXII-AWEZNQCLSA-N 2 2 346.435 0.493 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000528391002 268302637 /nfs/dbraw/zinc/30/26/37/268302637.db2.gz QMPQLJGMSWVUJJ-SJLPKXTDSA-N 2 2 345.443 0.952 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000528391002 268302639 /nfs/dbraw/zinc/30/26/39/268302639.db2.gz QMPQLJGMSWVUJJ-SJLPKXTDSA-N 2 2 345.443 0.952 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000137508324 436658497 /nfs/dbraw/zinc/65/84/97/436658497.db2.gz YGEQTNVIPVIFTR-UHFFFAOYSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000137508324 436658501 /nfs/dbraw/zinc/65/85/01/436658501.db2.gz YGEQTNVIPVIFTR-UHFFFAOYSA-N 2 2 334.464 0.002 20 30 ECEDLP N#CCCOCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000293168274 436854029 /nfs/dbraw/zinc/85/40/29/436854029.db2.gz RUHMGRXKNGTUND-UHFFFAOYSA-N 2 2 346.435 0.365 20 30 ECEDLP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCN(C(C)=O)CC1 ZINC000263225568 436956227 /nfs/dbraw/zinc/95/62/27/436956227.db2.gz GHHODROWIVZPRG-UHFFFAOYSA-N 2 2 346.479 0.892 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174896189 437090359 /nfs/dbraw/zinc/09/03/59/437090359.db2.gz RDKPTADFCYOVFJ-HNNXBMFYSA-N 2 2 337.468 0.100 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174896189 437090367 /nfs/dbraw/zinc/09/03/67/437090367.db2.gz RDKPTADFCYOVFJ-HNNXBMFYSA-N 2 2 337.468 0.100 20 30 ECEDLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000178990268 437246465 /nfs/dbraw/zinc/24/64/65/437246465.db2.gz QLHRHTYYIBWXFY-UHFFFAOYSA-N 2 2 341.459 0.844 20 30 ECEDLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000178990268 437246469 /nfs/dbraw/zinc/24/64/69/437246469.db2.gz QLHRHTYYIBWXFY-UHFFFAOYSA-N 2 2 341.459 0.844 20 30 ECEDLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000329730532 437405851 /nfs/dbraw/zinc/40/58/51/437405851.db2.gz POZHITQHCFVXFN-QLFBSQMISA-N 2 2 326.441 0.026 20 30 ECEDLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000329730532 437405857 /nfs/dbraw/zinc/40/58/57/437405857.db2.gz POZHITQHCFVXFN-QLFBSQMISA-N 2 2 326.441 0.026 20 30 ECEDLP CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1C[C@H](C)O ZINC000329735306 437407014 /nfs/dbraw/zinc/40/70/14/437407014.db2.gz KVVBIHUOPGFKLM-BFHYXJOUSA-N 2 2 335.452 0.958 20 30 ECEDLP CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1C[C@H](C)O ZINC000329735306 437407019 /nfs/dbraw/zinc/40/70/19/437407019.db2.gz KVVBIHUOPGFKLM-BFHYXJOUSA-N 2 2 335.452 0.958 20 30 ECEDLP CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1C[C@H](C)O ZINC000329735306 437407022 /nfs/dbraw/zinc/40/70/22/437407022.db2.gz KVVBIHUOPGFKLM-BFHYXJOUSA-N 2 2 335.452 0.958 20 30 ECEDLP CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1C[C@H](C)O ZINC000329735306 437407025 /nfs/dbraw/zinc/40/70/25/437407025.db2.gz KVVBIHUOPGFKLM-BFHYXJOUSA-N 2 2 335.452 0.958 20 30 ECEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329610853 437391614 /nfs/dbraw/zinc/39/16/14/437391614.db2.gz JLZJENZBCOVAFO-ZIAGYGMSSA-N 2 2 333.436 0.978 20 30 ECEDLP CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000329644644 437394193 /nfs/dbraw/zinc/39/41/93/437394193.db2.gz JDYCOIAYCQJEKT-ZDUSSCGKSA-N 2 2 344.481 0.193 20 30 ECEDLP CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000329644644 437394196 /nfs/dbraw/zinc/39/41/96/437394196.db2.gz JDYCOIAYCQJEKT-ZDUSSCGKSA-N 2 2 344.481 0.193 20 30 ECEDLP Cn1cc(C[NH+]2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)cn1 ZINC000330268025 437477770 /nfs/dbraw/zinc/47/77/70/437477770.db2.gz ILDGKAQBHHBCQF-OAHLLOKOSA-N 2 2 343.435 0.663 20 30 ECEDLP CN1CCO[C@@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC000329992842 437442718 /nfs/dbraw/zinc/44/27/18/437442718.db2.gz XXNSWVAPFQUTSP-HUUCEWRRSA-N 2 2 333.436 0.691 20 30 ECEDLP C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC000329992842 437442721 /nfs/dbraw/zinc/44/27/21/437442721.db2.gz XXNSWVAPFQUTSP-HUUCEWRRSA-N 2 2 333.436 0.691 20 30 ECEDLP C[N@H+]1CCO[C@@H]2CN(C(=O)NCCc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC000329992842 437442722 /nfs/dbraw/zinc/44/27/22/437442722.db2.gz XXNSWVAPFQUTSP-HUUCEWRRSA-N 2 2 333.436 0.691 20 30 ECEDLP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000330174703 437464978 /nfs/dbraw/zinc/46/49/78/437464978.db2.gz IMSVRSVTAVAEGW-BZUAXINKSA-N 2 2 340.468 0.198 20 30 ECEDLP C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000330174703 437464979 /nfs/dbraw/zinc/46/49/79/437464979.db2.gz IMSVRSVTAVAEGW-BZUAXINKSA-N 2 2 340.468 0.198 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330522140 437538130 /nfs/dbraw/zinc/53/81/30/437538130.db2.gz JRMTXFSULAQZCQ-BRWVUGGUSA-N 2 2 335.496 0.705 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330522140 437538133 /nfs/dbraw/zinc/53/81/33/437538133.db2.gz JRMTXFSULAQZCQ-BRWVUGGUSA-N 2 2 335.496 0.705 20 30 ECEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000343893500 437686313 /nfs/dbraw/zinc/68/63/13/437686313.db2.gz REPFWZUPZUQKDJ-OAHLLOKOSA-N 2 2 345.447 0.471 20 30 ECEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000331296420 437736037 /nfs/dbraw/zinc/73/60/37/437736037.db2.gz NBDCAUBMHQPLBL-UYSNPLJNSA-N 2 2 325.501 0.856 20 30 ECEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000331296420 437736041 /nfs/dbraw/zinc/73/60/41/437736041.db2.gz NBDCAUBMHQPLBL-UYSNPLJNSA-N 2 2 325.501 0.856 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375902118 438267229 /nfs/dbraw/zinc/26/72/29/438267229.db2.gz MKAMXHABMLVHCE-HNNXBMFYSA-N 2 2 337.468 0.099 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375902118 438267231 /nfs/dbraw/zinc/26/72/31/438267231.db2.gz MKAMXHABMLVHCE-HNNXBMFYSA-N 2 2 337.468 0.099 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nccc(C#N)c3[N+](=O)[O-])C2)CC1 ZINC000376666493 438288152 /nfs/dbraw/zinc/28/81/52/438288152.db2.gz SFPKMHJHBCJEKK-CYBMUJFWSA-N 2 2 330.392 1.442 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nccc(C#N)c3[N+](=O)[O-])C2)CC1 ZINC000376666493 438288154 /nfs/dbraw/zinc/28/81/54/438288154.db2.gz SFPKMHJHBCJEKK-CYBMUJFWSA-N 2 2 330.392 1.442 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369273830 438446191 /nfs/dbraw/zinc/44/61/91/438446191.db2.gz JXGZDPKEYHWKBU-KRWDZBQOSA-N 3 2 332.492 0.616 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000369273830 438446196 /nfs/dbraw/zinc/44/61/96/438446196.db2.gz JXGZDPKEYHWKBU-KRWDZBQOSA-N 3 2 332.492 0.616 20 30 ECEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000566904866 439098096 /nfs/dbraw/zinc/09/80/96/439098096.db2.gz YTMDHTXQBFTNNJ-QGZVFWFLSA-N 2 2 343.431 0.374 20 30 ECEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000602878135 439149154 /nfs/dbraw/zinc/14/91/54/439149154.db2.gz WASMSXMYZKGPMH-PKOBYXMFSA-N 2 2 347.459 0.881 20 30 ECEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000602878135 439149163 /nfs/dbraw/zinc/14/91/63/439149163.db2.gz WASMSXMYZKGPMH-PKOBYXMFSA-N 2 2 347.459 0.881 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000597989626 439206727 /nfs/dbraw/zinc/20/67/27/439206727.db2.gz HBDMWAASSFZJCC-UHFFFAOYSA-N 2 2 345.447 0.288 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000597989626 439206731 /nfs/dbraw/zinc/20/67/31/439206731.db2.gz HBDMWAASSFZJCC-UHFFFAOYSA-N 2 2 345.447 0.288 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)c2ccc(OC)cc2)CC1 ZINC000490914944 439312477 /nfs/dbraw/zinc/31/24/77/439312477.db2.gz KDQGNIBYTCSDFB-GOSISDBHSA-N 2 2 345.443 0.486 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000490842132 439302780 /nfs/dbraw/zinc/30/27/80/439302780.db2.gz ZBYCAKGSBOOGFR-KRWDZBQOSA-N 2 2 346.475 0.098 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000490842132 439302785 /nfs/dbraw/zinc/30/27/85/439302785.db2.gz ZBYCAKGSBOOGFR-KRWDZBQOSA-N 2 2 346.475 0.098 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CCCO)c2ccccc2)CC1 ZINC000490916413 439311444 /nfs/dbraw/zinc/31/14/44/439311444.db2.gz SCXYEUMPASJHTM-SFHVURJKSA-N 2 2 329.444 0.867 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)CC1 ZINC000491614997 439410185 /nfs/dbraw/zinc/41/01/85/439410185.db2.gz ADSPLTWOIOMRMR-FQEVSTJZSA-N 2 2 341.455 0.530 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@]2(O)CCc3ccccc32)CC1 ZINC000491614997 439410188 /nfs/dbraw/zinc/41/01/88/439410188.db2.gz ADSPLTWOIOMRMR-FQEVSTJZSA-N 2 2 341.455 0.530 20 30 ECEDLP Cc1nc(N2CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC2)cc[nH+]1 ZINC000599364844 439446692 /nfs/dbraw/zinc/44/66/92/439446692.db2.gz MRSOUOQALBSXBG-MRXNPFEDSA-N 2 2 345.447 0.978 20 30 ECEDLP C=CCc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc(OC)c1O ZINC000571344593 439495701 /nfs/dbraw/zinc/49/57/01/439495701.db2.gz VLTNOQVVFFXVRM-CABCVRRESA-N 2 2 331.416 0.873 20 30 ECEDLP C=CCc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc(OC)c1O ZINC000571344593 439495705 /nfs/dbraw/zinc/49/57/05/439495705.db2.gz VLTNOQVVFFXVRM-CABCVRRESA-N 2 2 331.416 0.873 20 30 ECEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000584232648 439565507 /nfs/dbraw/zinc/56/55/07/439565507.db2.gz IVHPLFQFZUFUHN-KRWDZBQOSA-N 2 2 339.447 0.813 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000600746252 439698886 /nfs/dbraw/zinc/69/88/86/439698886.db2.gz VMOXYKWLUPGWID-IAGOWNOFSA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000600746252 439698888 /nfs/dbraw/zinc/69/88/88/439698888.db2.gz VMOXYKWLUPGWID-IAGOWNOFSA-N 2 2 333.432 0.734 20 30 ECEDLP C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638912 548365067 /nfs/dbraw/zinc/36/50/67/548365067.db2.gz VVXCXQMOVULWDX-OAHLLOKOSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638912 548365072 /nfs/dbraw/zinc/36/50/72/548365072.db2.gz VVXCXQMOVULWDX-OAHLLOKOSA-N 2 2 336.480 0.696 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCO[C@@](C)(C#N)C3)C2)CC1 ZINC000893022401 586306186 /nfs/dbraw/zinc/30/61/86/586306186.db2.gz LNGJRNLLPBRBAT-PBHICJAKSA-N 2 2 335.452 0.479 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCO[C@@](C)(C#N)C3)C2)CC1 ZINC000893022401 586306189 /nfs/dbraw/zinc/30/61/89/586306189.db2.gz LNGJRNLLPBRBAT-PBHICJAKSA-N 2 2 335.452 0.479 20 30 ECEDLP O=C1C[C@H]([NH2+]CC#Cc2ccccc2)CN1CC[NH+]1CCOCC1 ZINC000893353718 586326421 /nfs/dbraw/zinc/32/64/21/586326421.db2.gz BPIVKZPIJICHGY-SFHVURJKSA-N 2 2 327.428 0.561 20 30 ECEDLP N#CCc1ccc(CS(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000903565387 586786691 /nfs/dbraw/zinc/78/66/91/586786691.db2.gz IVOUDFZWIUAAED-UHFFFAOYSA-N 2 2 336.461 0.595 20 30 ECEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)cn1 ZINC000907279891 587029681 /nfs/dbraw/zinc/02/96/81/587029681.db2.gz XQRQNTKDDHFRAF-ZDUSSCGKSA-N 2 2 339.465 0.504 20 30 ECEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)cn1 ZINC000907279891 587029684 /nfs/dbraw/zinc/02/96/84/587029684.db2.gz XQRQNTKDDHFRAF-ZDUSSCGKSA-N 2 2 339.465 0.504 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000830167933 588363749 /nfs/dbraw/zinc/36/37/49/588363749.db2.gz ATGKRIOZHZAGGL-SJORKVTESA-N 2 2 335.448 0.080 20 30 ECEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586914 590326287 /nfs/dbraw/zinc/32/62/87/590326287.db2.gz YVKXBDHBFKGSNL-GOSISDBHSA-N 2 2 332.448 0.619 20 30 ECEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586914 590326291 /nfs/dbraw/zinc/32/62/91/590326291.db2.gz YVKXBDHBFKGSNL-GOSISDBHSA-N 2 2 332.448 0.619 20 30 ECEDLP CN(CCC#N)C(=O)CC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254366 590379659 /nfs/dbraw/zinc/37/96/59/590379659.db2.gz UJYMMASUCZWVTL-UHFFFAOYSA-N 2 2 349.479 0.554 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC[NH+]1CCSCC1 ZINC000876726138 590404877 /nfs/dbraw/zinc/40/48/77/590404877.db2.gz BGKBWESIHIVUIY-MRXNPFEDSA-N 2 2 330.457 0.910 20 30 ECEDLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876753012 590409546 /nfs/dbraw/zinc/40/95/46/590409546.db2.gz GSKDIMGUCQCSAS-QGZVFWFLSA-N 2 2 342.443 0.972 20 30 ECEDLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876753012 590409549 /nfs/dbraw/zinc/40/95/49/590409549.db2.gz GSKDIMGUCQCSAS-QGZVFWFLSA-N 2 2 342.443 0.972 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000878744634 590539489 /nfs/dbraw/zinc/53/94/89/590539489.db2.gz VZGNZXRBXMPJEC-UHFFFAOYSA-N 3 2 341.459 0.371 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000878744634 590539491 /nfs/dbraw/zinc/53/94/91/590539491.db2.gz VZGNZXRBXMPJEC-UHFFFAOYSA-N 3 2 341.459 0.371 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450201 590831949 /nfs/dbraw/zinc/83/19/49/590831949.db2.gz AQVMPKAIJSCYMA-NCOADZHNSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450201 590831953 /nfs/dbraw/zinc/83/19/53/590831953.db2.gz AQVMPKAIJSCYMA-NCOADZHNSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450201 590831958 /nfs/dbraw/zinc/83/19/58/590831958.db2.gz AQVMPKAIJSCYMA-NCOADZHNSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450201 590831961 /nfs/dbraw/zinc/83/19/61/590831961.db2.gz AQVMPKAIJSCYMA-NCOADZHNSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccc3c(c2)OCO3)CC1 ZINC000887095728 590943067 /nfs/dbraw/zinc/94/30/67/590943067.db2.gz XDFUXFUHCYOWKL-UHFFFAOYSA-N 2 2 343.427 0.667 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccc3c(c2)OCO3)CC1 ZINC000887095728 590943069 /nfs/dbraw/zinc/94/30/69/590943069.db2.gz XDFUXFUHCYOWKL-UHFFFAOYSA-N 2 2 343.427 0.667 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000890362821 591150575 /nfs/dbraw/zinc/15/05/75/591150575.db2.gz IFOJQPSYYXQKSE-HUUCEWRRSA-N 2 2 347.463 0.877 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000890362821 591150578 /nfs/dbraw/zinc/15/05/78/591150578.db2.gz IFOJQPSYYXQKSE-HUUCEWRRSA-N 2 2 347.463 0.877 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000890364252 591151887 /nfs/dbraw/zinc/15/18/87/591151887.db2.gz YGSSHWKDYHBLKV-IXDOHACOSA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000890364252 591151889 /nfs/dbraw/zinc/15/18/89/591151889.db2.gz YGSSHWKDYHBLKV-IXDOHACOSA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000890364252 591151890 /nfs/dbraw/zinc/15/18/90/591151890.db2.gz YGSSHWKDYHBLKV-IXDOHACOSA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000890364252 591151891 /nfs/dbraw/zinc/15/18/91/591151891.db2.gz YGSSHWKDYHBLKV-IXDOHACOSA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)[C@H](C)C2)CC1 ZINC000948069380 611407369 /nfs/dbraw/zinc/40/73/69/611407369.db2.gz GWYBUUZIPZPRMO-ZBFHGGJFSA-N 2 2 345.447 0.884 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)[C@H](C)C2)CC1 ZINC000948069380 611407372 /nfs/dbraw/zinc/40/73/72/611407372.db2.gz GWYBUUZIPZPRMO-ZBFHGGJFSA-N 2 2 345.447 0.884 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000948449928 611601809 /nfs/dbraw/zinc/60/18/09/611601809.db2.gz YJTQOXDQYFKCDM-SJORKVTESA-N 2 2 345.447 0.980 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000948449928 611601811 /nfs/dbraw/zinc/60/18/11/611601811.db2.gz YJTQOXDQYFKCDM-SJORKVTESA-N 2 2 345.447 0.980 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000948449928 611601814 /nfs/dbraw/zinc/60/18/14/611601814.db2.gz YJTQOXDQYFKCDM-SJORKVTESA-N 2 2 345.447 0.980 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000948449928 611601817 /nfs/dbraw/zinc/60/18/17/611601817.db2.gz YJTQOXDQYFKCDM-SJORKVTESA-N 2 2 345.447 0.980 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000920462224 609684026 /nfs/dbraw/zinc/68/40/26/609684026.db2.gz RTQGGKVPEJHZRA-KRWDZBQOSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000914016618 609843999 /nfs/dbraw/zinc/84/39/99/609843999.db2.gz BJBVCXSHGFFOCV-UHFFFAOYSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC(=C)C)C2)CC1 ZINC000941440219 610316404 /nfs/dbraw/zinc/31/64/04/610316404.db2.gz DDQKGSDZRWMPBT-SFHVURJKSA-N 2 2 330.476 0.489 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603701 610403208 /nfs/dbraw/zinc/40/32/08/610403208.db2.gz MJKUVHMNAXSDOV-PKOBYXMFSA-N 2 2 344.503 0.855 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603701 610403211 /nfs/dbraw/zinc/40/32/11/610403211.db2.gz MJKUVHMNAXSDOV-PKOBYXMFSA-N 2 2 344.503 0.855 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408361 610722451 /nfs/dbraw/zinc/72/24/51/610722451.db2.gz CEAQNXUZDCLATR-ZWKOTPCHSA-N 2 2 344.503 0.713 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408361 610722453 /nfs/dbraw/zinc/72/24/53/610722453.db2.gz CEAQNXUZDCLATR-ZWKOTPCHSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001024987846 738462490 /nfs/dbraw/zinc/46/24/90/738462490.db2.gz WUAGRQGPYJORNF-HOTGVXAUSA-N 2 2 345.447 0.946 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C)o1 ZINC001024987846 738462491 /nfs/dbraw/zinc/46/24/91/738462491.db2.gz WUAGRQGPYJORNF-HOTGVXAUSA-N 2 2 345.447 0.946 20 30 ECEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083193909 732637999 /nfs/dbraw/zinc/63/79/99/732637999.db2.gz MXTSZSWIPKUZMF-HYVNUMGLSA-N 2 2 330.432 0.852 20 30 ECEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083193909 732638001 /nfs/dbraw/zinc/63/80/01/732638001.db2.gz MXTSZSWIPKUZMF-HYVNUMGLSA-N 2 2 330.432 0.852 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nonc3C)C2)CC1 ZINC000970791956 733942948 /nfs/dbraw/zinc/94/29/48/733942948.db2.gz DWASYFKHMIPBRC-OAHLLOKOSA-N 2 2 331.420 0.414 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C[C@@H](C)O2 ZINC001098577375 736914593 /nfs/dbraw/zinc/91/45/93/736914593.db2.gz CTTDLOQVFDBRIC-HZPDHXFCSA-N 2 2 335.448 0.032 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C[C@@H](C)O2 ZINC001098577375 736914596 /nfs/dbraw/zinc/91/45/96/736914596.db2.gz CTTDLOQVFDBRIC-HZPDHXFCSA-N 2 2 335.448 0.032 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972616608 737103875 /nfs/dbraw/zinc/10/38/75/737103875.db2.gz BPPVPBAXCOSVKT-IBGZPJMESA-N 2 2 349.475 0.424 20 30 ECEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972616608 737103878 /nfs/dbraw/zinc/10/38/78/737103878.db2.gz BPPVPBAXCOSVKT-IBGZPJMESA-N 2 2 349.475 0.424 20 30 ECEDLP CC#CC[N@H+](CCO)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001098582317 737356045 /nfs/dbraw/zinc/35/60/45/737356045.db2.gz OWDOLRFAAQGVQF-UHFFFAOYSA-N 2 2 332.448 0.972 20 30 ECEDLP CC#CC[N@@H+](CCO)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001098582317 737356050 /nfs/dbraw/zinc/35/60/50/737356050.db2.gz OWDOLRFAAQGVQF-UHFFFAOYSA-N 2 2 332.448 0.972 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC000972722979 737548718 /nfs/dbraw/zinc/54/87/18/737548718.db2.gz FXPJHCHHIRWSLY-ZBFHGGJFSA-N 2 2 345.447 0.282 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC000972722979 737548724 /nfs/dbraw/zinc/54/87/24/737548724.db2.gz FXPJHCHHIRWSLY-ZBFHGGJFSA-N 2 2 345.447 0.282 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC000972722969 737548813 /nfs/dbraw/zinc/54/88/13/737548813.db2.gz FXPJHCHHIRWSLY-GDBMZVCRSA-N 2 2 345.447 0.282 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC000972722969 737548814 /nfs/dbraw/zinc/54/88/14/737548814.db2.gz FXPJHCHHIRWSLY-GDBMZVCRSA-N 2 2 345.447 0.282 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nncs2)C1 ZINC001024022510 737627820 /nfs/dbraw/zinc/62/78/20/737627820.db2.gz ZXYWPOBVENTGEB-CABCVRRESA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nncs2)C1 ZINC001024022510 737627821 /nfs/dbraw/zinc/62/78/21/737627821.db2.gz ZXYWPOBVENTGEB-CABCVRRESA-N 2 2 347.488 0.964 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001105320698 741774879 /nfs/dbraw/zinc/77/48/79/741774879.db2.gz GKGVCITVFAODDE-MRXNPFEDSA-N 2 2 332.452 0.361 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001105328831 741828689 /nfs/dbraw/zinc/82/86/89/741828689.db2.gz YVUKHNVNBDGNDL-UHFFFAOYSA-N 2 2 344.463 0.506 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)nn1 ZINC001105328831 741828695 /nfs/dbraw/zinc/82/86/95/741828695.db2.gz YVUKHNVNBDGNDL-UHFFFAOYSA-N 2 2 344.463 0.506 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001026812583 741867427 /nfs/dbraw/zinc/86/74/27/741867427.db2.gz KTFJSONBUCOMCZ-CABCVRRESA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001026879884 742016616 /nfs/dbraw/zinc/01/66/16/742016616.db2.gz DIDKRRRLVWKHKD-GDBMZVCRSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001026879884 742016617 /nfs/dbraw/zinc/01/66/17/742016617.db2.gz DIDKRRRLVWKHKD-GDBMZVCRSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)nn1 ZINC001105337175 742441878 /nfs/dbraw/zinc/44/18/78/742441878.db2.gz UUCKPFOHISYQQE-OAHLLOKOSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCC[NH+]3CCCC3)C2)nn1 ZINC001105381043 743440472 /nfs/dbraw/zinc/44/04/72/743440472.db2.gz MFXHNCNILBVNDA-UHFFFAOYSA-N 2 2 344.463 0.650 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnsn2)C1 ZINC000998923176 744407915 /nfs/dbraw/zinc/40/79/15/744407915.db2.gz PCYYATPJYMPWBH-ZALBZXLWSA-N 2 2 333.461 0.715 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnsn2)C1 ZINC000998923176 744407916 /nfs/dbraw/zinc/40/79/16/744407916.db2.gz PCYYATPJYMPWBH-ZALBZXLWSA-N 2 2 333.461 0.715 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001027447041 744473474 /nfs/dbraw/zinc/47/34/74/744473474.db2.gz ZQYVWJZFOJWURO-RDJZCZTQSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001027447041 744473477 /nfs/dbraw/zinc/47/34/77/744473477.db2.gz ZQYVWJZFOJWURO-RDJZCZTQSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2cnnn2C)C1 ZINC001027447041 744473479 /nfs/dbraw/zinc/47/34/79/744473479.db2.gz ZQYVWJZFOJWURO-RDJZCZTQSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2cnnn2C)C1 ZINC001027447041 744473482 /nfs/dbraw/zinc/47/34/82/744473482.db2.gz ZQYVWJZFOJWURO-RDJZCZTQSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(OC)no2)C1 ZINC000999391282 744671473 /nfs/dbraw/zinc/67/14/73/744671473.db2.gz JXYIERSXZXEANZ-HOCLYGCPSA-N 2 2 346.431 0.861 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(OC)no2)C1 ZINC000999391282 744671476 /nfs/dbraw/zinc/67/14/76/744671476.db2.gz JXYIERSXZXEANZ-HOCLYGCPSA-N 2 2 346.431 0.861 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CCCNC1=O ZINC001029342458 745759187 /nfs/dbraw/zinc/75/91/87/745759187.db2.gz PQINBQIGMBQDBS-YVSFHVDLSA-N 2 2 344.459 0.038 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CCCNC1=O ZINC001029342458 745759190 /nfs/dbraw/zinc/75/91/90/745759190.db2.gz PQINBQIGMBQDBS-YVSFHVDLSA-N 2 2 344.459 0.038 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCCNC1=O ZINC001029342458 745759193 /nfs/dbraw/zinc/75/91/93/745759193.db2.gz PQINBQIGMBQDBS-YVSFHVDLSA-N 2 2 344.459 0.038 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCNC1=O ZINC001029342458 745759195 /nfs/dbraw/zinc/75/91/95/745759195.db2.gz PQINBQIGMBQDBS-YVSFHVDLSA-N 2 2 344.459 0.038 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC(=O)NC2CC2)CC1 ZINC001000791995 745769762 /nfs/dbraw/zinc/76/97/62/745769762.db2.gz UVNLJFNZMKLZNJ-KRWDZBQOSA-N 2 2 344.459 0.111 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001000791995 745769769 /nfs/dbraw/zinc/76/97/69/745769769.db2.gz UVNLJFNZMKLZNJ-KRWDZBQOSA-N 2 2 344.459 0.111 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC(=O)NC2CC2)CC1 ZINC001000791995 745769775 /nfs/dbraw/zinc/76/97/75/745769775.db2.gz UVNLJFNZMKLZNJ-KRWDZBQOSA-N 2 2 344.459 0.111 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC(=O)NC2CC2)CC1 ZINC001000791995 745769780 /nfs/dbraw/zinc/76/97/80/745769780.db2.gz UVNLJFNZMKLZNJ-KRWDZBQOSA-N 2 2 344.459 0.111 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)[C@@H]1CC ZINC001087607135 746115374 /nfs/dbraw/zinc/11/53/74/746115374.db2.gz NDKCAMJHTHKBAF-KSZLIROESA-N 2 2 343.475 0.987 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)[C@@H]1CC ZINC001087607135 746115375 /nfs/dbraw/zinc/11/53/75/746115375.db2.gz NDKCAMJHTHKBAF-KSZLIROESA-N 2 2 343.475 0.987 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cnn(C)c2)[C@@H]1CC ZINC001087607135 746115377 /nfs/dbraw/zinc/11/53/77/746115377.db2.gz NDKCAMJHTHKBAF-KSZLIROESA-N 2 2 343.475 0.987 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cnn(C)c2)[C@@H]1CC ZINC001087607135 746115378 /nfs/dbraw/zinc/11/53/78/746115378.db2.gz NDKCAMJHTHKBAF-KSZLIROESA-N 2 2 343.475 0.987 20 30 ECEDLP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)Cc3c[nH+]cn3C)C2)nn1 ZINC001105361377 752125000 /nfs/dbraw/zinc/12/50/00/752125000.db2.gz YEUQJAOLFZUBFS-UHFFFAOYSA-N 2 2 343.435 0.693 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001027804415 747914415 /nfs/dbraw/zinc/91/44/15/747914415.db2.gz AMWFNKJQOSAOPO-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001027804415 747914418 /nfs/dbraw/zinc/91/44/18/747914418.db2.gz AMWFNKJQOSAOPO-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC001027804415 747914422 /nfs/dbraw/zinc/91/44/22/747914422.db2.gz AMWFNKJQOSAOPO-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC001027804415 747914424 /nfs/dbraw/zinc/91/44/24/747914424.db2.gz AMWFNKJQOSAOPO-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnnn2C)C1 ZINC001029758124 748270583 /nfs/dbraw/zinc/27/05/83/748270583.db2.gz RSWGSNRMJJFLOM-RDJZCZTQSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cnnn2C)C1 ZINC001029758124 748270585 /nfs/dbraw/zinc/27/05/85/748270585.db2.gz RSWGSNRMJJFLOM-RDJZCZTQSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cnnn2C)C1 ZINC001029758124 748270586 /nfs/dbraw/zinc/27/05/86/748270586.db2.gz RSWGSNRMJJFLOM-RDJZCZTQSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cnnn3C)C2)CC1 ZINC000980477400 749630205 /nfs/dbraw/zinc/63/02/05/749630205.db2.gz GMLAKFRDRZIEOR-MRXNPFEDSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)Cc3cnnn3C)C2)CC1 ZINC000980477400 749630208 /nfs/dbraw/zinc/63/02/08/749630208.db2.gz GMLAKFRDRZIEOR-MRXNPFEDSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cn(C)nc1C ZINC001027944148 749678201 /nfs/dbraw/zinc/67/82/01/749678201.db2.gz VIFMGCVQGDLHLE-MSOLQXFVSA-N 2 2 343.475 0.907 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cn(C)nc1C ZINC001027944148 749678208 /nfs/dbraw/zinc/67/82/08/749678208.db2.gz VIFMGCVQGDLHLE-MSOLQXFVSA-N 2 2 343.475 0.907 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1cn(C)nc1C ZINC001027944148 749678212 /nfs/dbraw/zinc/67/82/12/749678212.db2.gz VIFMGCVQGDLHLE-MSOLQXFVSA-N 2 2 343.475 0.907 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1Cc1cn(C)nc1C ZINC001027944148 749678217 /nfs/dbraw/zinc/67/82/17/749678217.db2.gz VIFMGCVQGDLHLE-MSOLQXFVSA-N 2 2 343.475 0.907 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3noc(CC)n3)C2)CC1 ZINC001021092465 752532404 /nfs/dbraw/zinc/53/24/04/752532404.db2.gz MPCPCWWFOSRYDW-SHTZXODSSA-N 2 2 345.447 0.714 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001030019200 752630652 /nfs/dbraw/zinc/63/06/52/752630652.db2.gz LASVZKROHZLCMV-JYJNAYRXSA-N 2 2 344.463 0.554 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001030019200 752630657 /nfs/dbraw/zinc/63/06/57/752630657.db2.gz LASVZKROHZLCMV-JYJNAYRXSA-N 2 2 344.463 0.554 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000938096410 753257287 /nfs/dbraw/zinc/25/72/87/753257287.db2.gz GIDMVGZXOLBTIR-HNNXBMFYSA-N 2 2 343.431 0.015 20 30 ECEDLP C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001098649785 753709048 /nfs/dbraw/zinc/70/90/48/753709048.db2.gz VQYFQAVUPFYEQU-JKSUJKDBSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001098649785 753709050 /nfs/dbraw/zinc/70/90/50/753709050.db2.gz VQYFQAVUPFYEQU-JKSUJKDBSA-N 2 2 348.451 0.048 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)nn1 ZINC001098685262 753764753 /nfs/dbraw/zinc/76/47/53/753764753.db2.gz DHHJAVOATMGPQD-HZPDHXFCSA-N 2 2 332.452 0.505 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001028601854 753888754 /nfs/dbraw/zinc/88/87/54/753888754.db2.gz WFXGSQJGVFCTDE-RDJZCZTQSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001028601854 753888761 /nfs/dbraw/zinc/88/87/61/753888761.db2.gz WFXGSQJGVFCTDE-RDJZCZTQSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001028601854 753888768 /nfs/dbraw/zinc/88/87/68/753888768.db2.gz WFXGSQJGVFCTDE-RDJZCZTQSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001028601854 753888776 /nfs/dbraw/zinc/88/87/76/753888776.db2.gz WFXGSQJGVFCTDE-RDJZCZTQSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nncs3)C[C@@H]2C)CC1 ZINC000989829555 754483674 /nfs/dbraw/zinc/48/36/74/754483674.db2.gz TUNUJLVQPXQFKN-DZGCQCFKSA-N 2 2 347.488 0.962 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCC[NH+]3CCCC3)C2)nn1 ZINC001105377385 754530319 /nfs/dbraw/zinc/53/03/19/754530319.db2.gz ZXWOFTRJONIBBN-UHFFFAOYSA-N 2 2 344.463 0.650 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001009513066 754965165 /nfs/dbraw/zinc/96/51/65/754965165.db2.gz FBCUQJZAEDIJLO-JKSUJKDBSA-N 2 2 334.464 0.450 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001009513066 754965170 /nfs/dbraw/zinc/96/51/70/754965170.db2.gz FBCUQJZAEDIJLO-JKSUJKDBSA-N 2 2 334.464 0.450 20 30 ECEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105656815 755207123 /nfs/dbraw/zinc/20/71/23/755207123.db2.gz UEYXKWZXHSKOFK-ZAWLATJESA-N 2 2 344.459 0.942 20 30 ECEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076811252 757252006 /nfs/dbraw/zinc/25/20/06/757252006.db2.gz HBNUMYXOMZJDEZ-IXDOHACOSA-N 2 2 328.416 0.314 20 30 ECEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076811252 757252011 /nfs/dbraw/zinc/25/20/11/757252011.db2.gz HBNUMYXOMZJDEZ-IXDOHACOSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076811252 757252015 /nfs/dbraw/zinc/25/20/15/757252015.db2.gz HBNUMYXOMZJDEZ-IXDOHACOSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076811252 757252022 /nfs/dbraw/zinc/25/20/22/757252022.db2.gz HBNUMYXOMZJDEZ-IXDOHACOSA-N 2 2 328.416 0.314 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[NH+]3CCC(C)CC3)nn2)C1 ZINC001107223062 757893824 /nfs/dbraw/zinc/89/38/24/757893824.db2.gz UXSZIGMOKOVKFC-UHFFFAOYSA-N 2 2 344.463 0.506 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccc(C)n2)CC1 ZINC000996684111 758465099 /nfs/dbraw/zinc/46/50/99/758465099.db2.gz GHORTXDXRMWRDP-KRWDZBQOSA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccc(C)n2)CC1 ZINC000996684111 758465102 /nfs/dbraw/zinc/46/51/02/758465102.db2.gz GHORTXDXRMWRDP-KRWDZBQOSA-N 2 2 341.459 0.963 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001050237086 760023397 /nfs/dbraw/zinc/02/33/97/760023397.db2.gz TYTHNXNSHHCTGX-LSDHHAIUSA-N 2 2 345.447 0.567 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001051249462 761762186 /nfs/dbraw/zinc/76/21/86/761762186.db2.gz FVTCRNQMXFLBBI-HOTGVXAUSA-N 2 2 325.453 0.490 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001051249462 761762189 /nfs/dbraw/zinc/76/21/89/761762189.db2.gz FVTCRNQMXFLBBI-HOTGVXAUSA-N 2 2 325.453 0.490 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001051249462 761762193 /nfs/dbraw/zinc/76/21/93/761762193.db2.gz FVTCRNQMXFLBBI-HOTGVXAUSA-N 2 2 325.453 0.490 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001051249462 761762198 /nfs/dbraw/zinc/76/21/98/761762198.db2.gz FVTCRNQMXFLBBI-HOTGVXAUSA-N 2 2 325.453 0.490 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2C[C@H](C)OC)CC1 ZINC001051256082 761776793 /nfs/dbraw/zinc/77/67/93/761776793.db2.gz UOZLRSVTEDHMTL-RDJZCZTQSA-N 2 2 337.464 0.184 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2C[C@H](C)OC)CC1 ZINC001051256082 761776797 /nfs/dbraw/zinc/77/67/97/761776797.db2.gz UOZLRSVTEDHMTL-RDJZCZTQSA-N 2 2 337.464 0.184 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168476228 768068910 /nfs/dbraw/zinc/06/89/10/768068910.db2.gz VZRXEZYKVCNUQI-UHFFFAOYSA-N 2 2 347.463 0.842 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001052036729 763650177 /nfs/dbraw/zinc/65/01/77/763650177.db2.gz TUOFZSNWSJBWOE-KRWDZBQOSA-N 2 2 332.492 0.713 20 30 ECEDLP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001052118225 763931535 /nfs/dbraw/zinc/93/15/35/763931535.db2.gz OSVULTKEBXVEHC-QGZVFWFLSA-N 2 2 331.464 0.986 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2nccn2C)CC1 ZINC001052456608 764537359 /nfs/dbraw/zinc/53/73/59/764537359.db2.gz IEPQPHUZJJEAKW-IRXDYDNUSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2nccn2C)CC1 ZINC001052456608 764537366 /nfs/dbraw/zinc/53/73/66/764537366.db2.gz IEPQPHUZJJEAKW-IRXDYDNUSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2nccn2C)CC1 ZINC001052456608 764537373 /nfs/dbraw/zinc/53/73/73/764537373.db2.gz IEPQPHUZJJEAKW-IRXDYDNUSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2nccn2C)CC1 ZINC001052456608 764537377 /nfs/dbraw/zinc/53/73/77/764537377.db2.gz IEPQPHUZJJEAKW-IRXDYDNUSA-N 2 2 343.475 0.988 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001047529342 764607554 /nfs/dbraw/zinc/60/75/54/764607554.db2.gz ZDYBARHIPIRZMP-IRXDYDNUSA-N 2 2 348.447 0.964 20 30 ECEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001047529342 764607561 /nfs/dbraw/zinc/60/75/61/764607561.db2.gz ZDYBARHIPIRZMP-IRXDYDNUSA-N 2 2 348.447 0.964 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCOC3(C[NH+](C[C@@H](C)OC)C3)C2)CC1 ZINC001053540997 766306767 /nfs/dbraw/zinc/30/67/67/766306767.db2.gz PAWWTTWTSUDYRY-MRXNPFEDSA-N 2 2 349.475 0.280 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)O2 ZINC001053638990 766494464 /nfs/dbraw/zinc/49/44/64/766494464.db2.gz FTUWOQHKSMVHSZ-BNQMIIOLSA-N 2 2 347.459 0.385 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)O2 ZINC001053638990 766494469 /nfs/dbraw/zinc/49/44/69/766494469.db2.gz FTUWOQHKSMVHSZ-BNQMIIOLSA-N 2 2 347.459 0.385 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CC[NH+](CC#C)CC1)O2 ZINC001053699372 766617395 /nfs/dbraw/zinc/61/73/95/766617395.db2.gz DHBYQFLTKUTPKZ-GOSISDBHSA-N 2 2 343.471 0.705 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC001046040760 766749853 /nfs/dbraw/zinc/74/98/53/766749853.db2.gz KPMXJSHOSUGCLL-SJORKVTESA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC001046040760 766749861 /nfs/dbraw/zinc/74/98/61/766749861.db2.gz KPMXJSHOSUGCLL-SJORKVTESA-N 2 2 343.475 0.850 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCc2nc(C)no2)C1 ZINC001031740456 766984721 /nfs/dbraw/zinc/98/47/21/766984721.db2.gz CHLUUFAQTBOHQT-INIZCTEOSA-N 2 2 345.447 0.456 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCc2nc(C)no2)C1 ZINC001031740456 766984725 /nfs/dbraw/zinc/98/47/25/766984725.db2.gz CHLUUFAQTBOHQT-INIZCTEOSA-N 2 2 345.447 0.456 20 30 ECEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046505497 767267532 /nfs/dbraw/zinc/26/75/32/767267532.db2.gz HUZZZJCOVIIZMS-AOIWGVFYSA-N 2 2 349.475 0.470 20 30 ECEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046505497 767267535 /nfs/dbraw/zinc/26/75/35/767267535.db2.gz HUZZZJCOVIIZMS-AOIWGVFYSA-N 2 2 349.475 0.470 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)nn1 ZINC001098790268 768762285 /nfs/dbraw/zinc/76/22/85/768762285.db2.gz QQPVYGXFEIUNQE-QGZVFWFLSA-N 2 2 344.463 0.650 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001018391083 769274727 /nfs/dbraw/zinc/27/47/27/769274727.db2.gz BUFCRDCKYDFRLQ-SJORKVTESA-N 2 2 348.491 0.507 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001018391083 769274734 /nfs/dbraw/zinc/27/47/34/769274734.db2.gz BUFCRDCKYDFRLQ-SJORKVTESA-N 2 2 348.491 0.507 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001031594268 771362722 /nfs/dbraw/zinc/36/27/22/771362722.db2.gz XRJBUQBIMBLEOI-QGZVFWFLSA-N 2 2 328.416 0.437 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001031594268 771362726 /nfs/dbraw/zinc/36/27/26/771362726.db2.gz XRJBUQBIMBLEOI-QGZVFWFLSA-N 2 2 328.416 0.437 20 30 ECEDLP CC#CC[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079267949 780944565 /nfs/dbraw/zinc/94/45/65/780944565.db2.gz DGXHRSIKULVZNF-JKSUJKDBSA-N 2 2 342.443 0.915 20 30 ECEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526189 781221603 /nfs/dbraw/zinc/22/16/03/781221603.db2.gz JCSIUGVEEOVFJA-OLMNPRSZSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001079526189 781221605 /nfs/dbraw/zinc/22/16/05/781221605.db2.gz JCSIUGVEEOVFJA-OLMNPRSZSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001079526189 781221608 /nfs/dbraw/zinc/22/16/08/781221608.db2.gz JCSIUGVEEOVFJA-OLMNPRSZSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001079526189 781221611 /nfs/dbraw/zinc/22/16/11/781221611.db2.gz JCSIUGVEEOVFJA-OLMNPRSZSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077679040 781492694 /nfs/dbraw/zinc/49/26/94/781492694.db2.gz FKUHBSPSGDMEDI-ZTFGCOKTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077679040 781492697 /nfs/dbraw/zinc/49/26/97/781492697.db2.gz FKUHBSPSGDMEDI-ZTFGCOKTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077679040 781492698 /nfs/dbraw/zinc/49/26/98/781492698.db2.gz FKUHBSPSGDMEDI-ZTFGCOKTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077679040 781492700 /nfs/dbraw/zinc/49/27/00/781492700.db2.gz FKUHBSPSGDMEDI-ZTFGCOKTSA-N 2 2 342.443 0.561 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070285605 783791055 /nfs/dbraw/zinc/79/10/55/783791055.db2.gz BYNHJZVXGSKFRW-KFWWJZLASA-N 2 2 329.408 0.653 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001071021677 784442948 /nfs/dbraw/zinc/44/29/48/784442948.db2.gz AYLVQCMABCUIHC-IAGOWNOFSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001071021677 784442956 /nfs/dbraw/zinc/44/29/56/784442956.db2.gz AYLVQCMABCUIHC-IAGOWNOFSA-N 2 2 348.491 0.533 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1NCC#N ZINC001070721505 784595988 /nfs/dbraw/zinc/59/59/88/784595988.db2.gz SCULCJXBGFIFAR-HZPDHXFCSA-N 2 2 344.463 0.704 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3OCC[N@@H+](CCOC)[C@H]3C2)CC1 ZINC001074409609 786893410 /nfs/dbraw/zinc/89/34/10/786893410.db2.gz FEGLXXIMENSIRZ-ZWKOTPCHSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3OCC[N@H+](CCOC)[C@H]3C2)CC1 ZINC001074409609 786893418 /nfs/dbraw/zinc/89/34/18/786893418.db2.gz FEGLXXIMENSIRZ-ZWKOTPCHSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1cncn1C)C2 ZINC001072823017 788892480 /nfs/dbraw/zinc/89/24/80/788892480.db2.gz YJOPJXSMYWHRQI-KRWDZBQOSA-N 2 2 341.459 0.552 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1cncn1C)C2 ZINC001072823017 788892491 /nfs/dbraw/zinc/89/24/91/788892491.db2.gz YJOPJXSMYWHRQI-KRWDZBQOSA-N 2 2 341.459 0.552 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cncn1C)C2 ZINC001072823017 788892501 /nfs/dbraw/zinc/89/25/01/788892501.db2.gz YJOPJXSMYWHRQI-KRWDZBQOSA-N 2 2 341.459 0.552 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cncn1C)C2 ZINC001072823017 788892506 /nfs/dbraw/zinc/89/25/06/788892506.db2.gz YJOPJXSMYWHRQI-KRWDZBQOSA-N 2 2 341.459 0.552 20 30 ECEDLP C#CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001075415171 789343750 /nfs/dbraw/zinc/34/37/50/789343750.db2.gz FSIDZWISVUVKLU-MJGOQNOKSA-N 2 2 344.459 0.972 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H]1CCN(C2CCC2)C1=O ZINC001266285273 835618890 /nfs/dbraw/zinc/61/88/90/835618890.db2.gz SVKSNOQWIRQEDY-IRXDYDNUSA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H]1CCN(C2CCC2)C1=O ZINC001266285273 835618893 /nfs/dbraw/zinc/61/88/93/835618893.db2.gz SVKSNOQWIRQEDY-IRXDYDNUSA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H]1CCN(C2CCC2)C1=O ZINC001266285273 835618896 /nfs/dbraw/zinc/61/88/96/835618896.db2.gz SVKSNOQWIRQEDY-IRXDYDNUSA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H]1CCN(C2CCC2)C1=O ZINC001266285273 835618900 /nfs/dbraw/zinc/61/89/00/835618900.db2.gz SVKSNOQWIRQEDY-IRXDYDNUSA-N 2 2 346.475 0.285 20 30 ECEDLP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001266793933 836312444 /nfs/dbraw/zinc/31/24/44/836312444.db2.gz VFBWOADIWHMPTL-BZUAXINKSA-N 2 2 330.432 0.991 20 30 ECEDLP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001266793933 836312453 /nfs/dbraw/zinc/31/24/53/836312453.db2.gz VFBWOADIWHMPTL-BZUAXINKSA-N 2 2 330.432 0.991 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001266916993 836476651 /nfs/dbraw/zinc/47/66/51/836476651.db2.gz MSSYURTXGPDXCF-WLYUNCDWSA-N 2 2 331.420 0.038 20 30 ECEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001267199855 836970250 /nfs/dbraw/zinc/97/02/50/836970250.db2.gz WXBBAEQQQVKTLW-INIZCTEOSA-N 2 2 334.464 0.191 20 30 ECEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001267199855 836970259 /nfs/dbraw/zinc/97/02/59/836970259.db2.gz WXBBAEQQQVKTLW-INIZCTEOSA-N 2 2 334.464 0.191 20 30 ECEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001267199855 836970266 /nfs/dbraw/zinc/97/02/66/836970266.db2.gz WXBBAEQQQVKTLW-INIZCTEOSA-N 2 2 334.464 0.191 20 30 ECEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001267199855 836970273 /nfs/dbraw/zinc/97/02/73/836970273.db2.gz WXBBAEQQQVKTLW-INIZCTEOSA-N 2 2 334.464 0.191 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC(C)C)C1 ZINC001267296896 837156523 /nfs/dbraw/zinc/15/65/23/837156523.db2.gz XKKRIWNDKQXTKT-IRXDYDNUSA-N 2 2 348.491 0.294 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC(C)C)C1 ZINC001267296896 837156529 /nfs/dbraw/zinc/15/65/29/837156529.db2.gz XKKRIWNDKQXTKT-IRXDYDNUSA-N 2 2 348.491 0.294 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)NCC(C)C)C1 ZINC001267296896 837156537 /nfs/dbraw/zinc/15/65/37/837156537.db2.gz XKKRIWNDKQXTKT-IRXDYDNUSA-N 2 2 348.491 0.294 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)NCC(C)C)C1 ZINC001267296896 837156542 /nfs/dbraw/zinc/15/65/42/837156542.db2.gz XKKRIWNDKQXTKT-IRXDYDNUSA-N 2 2 348.491 0.294 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267767221 838503463 /nfs/dbraw/zinc/50/34/63/838503463.db2.gz NGDBJLOYMKMENS-HZPDHXFCSA-N 2 2 330.432 0.628 20 30 ECEDLP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267767221 838503467 /nfs/dbraw/zinc/50/34/67/838503467.db2.gz NGDBJLOYMKMENS-HZPDHXFCSA-N 2 2 330.432 0.628 20 30 ECEDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000051760399 214103925 /nfs/dbraw/zinc/10/39/25/214103925.db2.gz WCMICHBZDACQDX-INIZCTEOSA-N 2 2 346.431 0.004 20 30 ECEDLP N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000269467129 263184131 /nfs/dbraw/zinc/18/41/31/263184131.db2.gz ZGBMADLOUQQVST-MRXNPFEDSA-N 2 2 346.406 0.720 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000528475544 268296366 /nfs/dbraw/zinc/29/63/66/268296366.db2.gz KPJKKLAWDHUOTD-HNNXBMFYSA-N 2 2 327.388 0.843 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111231168 436630874 /nfs/dbraw/zinc/63/08/74/436630874.db2.gz FPYSFXHRBGKFIY-IRXDYDNUSA-N 2 2 335.496 0.849 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231168 436630876 /nfs/dbraw/zinc/63/08/76/436630876.db2.gz FPYSFXHRBGKFIY-IRXDYDNUSA-N 2 2 335.496 0.849 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)CC1 ZINC000131748331 436858112 /nfs/dbraw/zinc/85/81/12/436858112.db2.gz TXJKETKZCJPFEA-QGZVFWFLSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134894672 436906598 /nfs/dbraw/zinc/90/65/98/436906598.db2.gz XUVSVLYYPFJQAK-IEBWSBKVSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134894672 436906600 /nfs/dbraw/zinc/90/66/00/436906600.db2.gz XUVSVLYYPFJQAK-IEBWSBKVSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134894672 436906603 /nfs/dbraw/zinc/90/66/03/436906603.db2.gz XUVSVLYYPFJQAK-IEBWSBKVSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134894672 436906607 /nfs/dbraw/zinc/90/66/07/436906607.db2.gz XUVSVLYYPFJQAK-IEBWSBKVSA-N 2 2 344.503 0.713 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NCc1c(C)nn(C)c1C ZINC000262769519 436942380 /nfs/dbraw/zinc/94/23/80/436942380.db2.gz ILUJBLZNIBNZOD-UHFFFAOYSA-N 2 2 332.456 0.702 20 30 ECEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000303871097 437156518 /nfs/dbraw/zinc/15/65/18/437156518.db2.gz FRIMSISKMWQTNP-UHFFFAOYSA-N 3 2 342.447 0.999 20 30 ECEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000303984552 437157349 /nfs/dbraw/zinc/15/73/49/437157349.db2.gz SFDHYXDIYFJNER-UHFFFAOYSA-N 3 2 343.435 0.394 20 30 ECEDLP C[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2C[N@H+](C)CCN2C)C[C@@H]1n1cc[nH+]c1 ZINC000329910229 437429959 /nfs/dbraw/zinc/42/99/59/437429959.db2.gz VRNMGYSNIPXLGY-OAGGEKHMSA-N 2 2 334.468 0.926 20 30 ECEDLP C[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2C[N@@H+](C)CCN2C)C[C@@H]1n1cc[nH+]c1 ZINC000329910229 437429963 /nfs/dbraw/zinc/42/99/63/437429963.db2.gz VRNMGYSNIPXLGY-OAGGEKHMSA-N 2 2 334.468 0.926 20 30 ECEDLP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@@H]1n1cc[nH+]c1 ZINC000329910229 437429964 /nfs/dbraw/zinc/42/99/64/437429964.db2.gz VRNMGYSNIPXLGY-OAGGEKHMSA-N 2 2 334.468 0.926 20 30 ECEDLP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@@H]1n1cc[nH+]c1 ZINC000329910229 437429971 /nfs/dbraw/zinc/42/99/71/437429971.db2.gz VRNMGYSNIPXLGY-OAGGEKHMSA-N 2 2 334.468 0.926 20 30 ECEDLP CC(C)(CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)[NH+]1CCOCC1 ZINC000329607269 437391076 /nfs/dbraw/zinc/39/10/76/437391076.db2.gz BJRVUGZWVXIUAV-KKUMJFAQSA-N 2 2 325.453 0.756 20 30 ECEDLP CC(C)(CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)[NH+]1CCOCC1 ZINC000329607269 437391078 /nfs/dbraw/zinc/39/10/78/437391078.db2.gz BJRVUGZWVXIUAV-KKUMJFAQSA-N 2 2 325.453 0.756 20 30 ECEDLP C[C@H](C[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1)C[NH+]1CCOCC1 ZINC000329970077 437439471 /nfs/dbraw/zinc/43/94/71/437439471.db2.gz WXMOSCDJFQXSQB-HUUCEWRRSA-N 2 2 335.452 0.917 20 30 ECEDLP C[C@H](CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)C[NH+]1CCOCC1 ZINC000329970077 437439474 /nfs/dbraw/zinc/43/94/74/437439474.db2.gz WXMOSCDJFQXSQB-HUUCEWRRSA-N 2 2 335.452 0.917 20 30 ECEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330542732 437547108 /nfs/dbraw/zinc/54/71/08/437547108.db2.gz XAWYDTANYWIJQE-AOIWGVFYSA-N 2 2 349.523 0.999 20 30 ECEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330542732 437547112 /nfs/dbraw/zinc/54/71/12/437547112.db2.gz XAWYDTANYWIJQE-AOIWGVFYSA-N 2 2 349.523 0.999 20 30 ECEDLP Cn1ncc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C#N ZINC000356198022 437752889 /nfs/dbraw/zinc/75/28/89/437752889.db2.gz YIFYTJCNYZZDMW-UHFFFAOYSA-N 2 2 344.463 0.972 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C3(C(N)=O)CCCC3)CC2)CC1 ZINC000370794912 437842671 /nfs/dbraw/zinc/84/26/71/437842671.db2.gz DSPIZAAMPKKPBI-UHFFFAOYSA-N 2 2 346.475 0.274 20 30 ECEDLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424135237 437891193 /nfs/dbraw/zinc/89/11/93/437891193.db2.gz OMMNBADHHAXMIM-OAHLLOKOSA-N 2 2 337.468 0.410 20 30 ECEDLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424135237 437891198 /nfs/dbraw/zinc/89/11/98/437891198.db2.gz OMMNBADHHAXMIM-OAHLLOKOSA-N 2 2 337.468 0.410 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000366485934 438083785 /nfs/dbraw/zinc/08/37/85/438083785.db2.gz XAYTTWYTFRCEJA-PKOBYXMFSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000366485934 438083789 /nfs/dbraw/zinc/08/37/89/438083789.db2.gz XAYTTWYTFRCEJA-PKOBYXMFSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366485934 438083796 /nfs/dbraw/zinc/08/37/96/438083796.db2.gz XAYTTWYTFRCEJA-PKOBYXMFSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366485934 438083799 /nfs/dbraw/zinc/08/37/99/438083799.db2.gz XAYTTWYTFRCEJA-PKOBYXMFSA-N 2 2 347.507 0.706 20 30 ECEDLP C#Cc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000377620864 438313340 /nfs/dbraw/zinc/31/33/40/438313340.db2.gz HCNKFYGRWKGPCO-SFHVURJKSA-N 2 2 327.428 0.691 20 30 ECEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352484070 438428020 /nfs/dbraw/zinc/42/80/20/438428020.db2.gz LDJHXKRGROAMMX-HNNXBMFYSA-N 2 2 340.443 0.787 20 30 ECEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352484070 438428022 /nfs/dbraw/zinc/42/80/22/438428022.db2.gz LDJHXKRGROAMMX-HNNXBMFYSA-N 2 2 340.443 0.787 20 30 ECEDLP COc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1C#N ZINC000414717754 438715065 /nfs/dbraw/zinc/71/50/65/438715065.db2.gz UWVVPRWMSWNNTJ-INIZCTEOSA-N 2 2 328.416 0.963 20 30 ECEDLP COc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1C#N ZINC000414717754 438715068 /nfs/dbraw/zinc/71/50/68/438715068.db2.gz UWVVPRWMSWNNTJ-INIZCTEOSA-N 2 2 328.416 0.963 20 30 ECEDLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595951025 438895544 /nfs/dbraw/zinc/89/55/44/438895544.db2.gz VVDJSWSIHBZKTE-ROUUACIJSA-N 2 2 343.475 0.940 20 30 ECEDLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595951025 438895548 /nfs/dbraw/zinc/89/55/48/438895548.db2.gz VVDJSWSIHBZKTE-ROUUACIJSA-N 2 2 343.475 0.940 20 30 ECEDLP C[C@H](CCC#N)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000590592929 438938849 /nfs/dbraw/zinc/93/88/49/438938849.db2.gz CWIGJAYKRUTMFB-OAHLLOKOSA-N 2 2 343.497 0.036 20 30 ECEDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCOc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000580183102 439068136 /nfs/dbraw/zinc/06/81/36/439068136.db2.gz SZIKFFQVLLXHRA-INMHGKMJSA-N 2 2 333.432 0.997 20 30 ECEDLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NCc1cccc(C#N)c1)CCO2 ZINC000592183722 439171361 /nfs/dbraw/zinc/17/13/61/439171361.db2.gz VZUHRBFNKBWZKK-UHFFFAOYSA-N 2 2 342.443 0.971 20 30 ECEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)CCO2 ZINC000592183722 439171365 /nfs/dbraw/zinc/17/13/65/439171365.db2.gz VZUHRBFNKBWZKK-UHFFFAOYSA-N 2 2 342.443 0.971 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@](O)(CC#N)C3)C2)CC1 ZINC000591960049 439122275 /nfs/dbraw/zinc/12/22/75/439122275.db2.gz RPKMCLMPCBIXLG-RHSMWYFYSA-N 2 2 335.452 0.215 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@](O)(CC#N)C3)C2)CC1 ZINC000591960049 439122281 /nfs/dbraw/zinc/12/22/81/439122281.db2.gz RPKMCLMPCBIXLG-RHSMWYFYSA-N 2 2 335.452 0.215 20 30 ECEDLP C#CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491102524 439333524 /nfs/dbraw/zinc/33/35/24/439333524.db2.gz MOGPFUSUAGORGH-QGZVFWFLSA-N 2 2 341.521 0.525 20 30 ECEDLP C#CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000491102524 439333532 /nfs/dbraw/zinc/33/35/32/439333532.db2.gz MOGPFUSUAGORGH-QGZVFWFLSA-N 2 2 341.521 0.525 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CON=C(N)C[N@H+]2CCCC[C@H]2C)CC1 ZINC000490763748 439296583 /nfs/dbraw/zinc/29/65/83/439296583.db2.gz VLSVVGMRQJIVTE-OAHLLOKOSA-N 2 2 335.452 0.137 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CON=C(N)C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000490763748 439296592 /nfs/dbraw/zinc/29/65/92/439296592.db2.gz VLSVVGMRQJIVTE-OAHLLOKOSA-N 2 2 335.452 0.137 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000490781056 439298532 /nfs/dbraw/zinc/29/85/32/439298532.db2.gz VEKRJQPCNXNEEO-SFHVURJKSA-N 2 2 332.492 0.714 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000582725928 439372027 /nfs/dbraw/zinc/37/20/27/439372027.db2.gz GWVDIFZLHFEIFH-IRXDYDNUSA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000582725928 439372035 /nfs/dbraw/zinc/37/20/35/439372035.db2.gz GWVDIFZLHFEIFH-IRXDYDNUSA-N 2 2 333.432 0.734 20 30 ECEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000594440583 439560239 /nfs/dbraw/zinc/56/02/39/439560239.db2.gz GDRZIJCNSSVJQL-OAHLLOKOSA-N 2 2 331.420 0.946 20 30 ECEDLP C=CC[C@]1(C(=O)N2CC[NH+](CCOCCOC)CC2)CCC[NH2+]1 ZINC000662834487 439907774 /nfs/dbraw/zinc/90/77/74/439907774.db2.gz VPDNVZHZDOKTIH-QGZVFWFLSA-N 2 2 325.453 0.492 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000672355943 548313644 /nfs/dbraw/zinc/31/36/44/548313644.db2.gz JDJXEXVWRUCYHD-INIZCTEOSA-N 2 2 345.447 0.813 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(c3nccc(C)n3)CC2)CC1 ZINC000755215204 579430782 /nfs/dbraw/zinc/43/07/82/579430782.db2.gz RWLPQASCAYQNAE-UHFFFAOYSA-N 2 2 341.459 0.742 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000730285767 578304621 /nfs/dbraw/zinc/30/46/21/578304621.db2.gz IAPNCKORYKSPJU-RBUKOAKNSA-N 2 2 341.455 0.962 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000730285767 578304622 /nfs/dbraw/zinc/30/46/22/578304622.db2.gz IAPNCKORYKSPJU-RBUKOAKNSA-N 2 2 341.455 0.962 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000747393981 579851812 /nfs/dbraw/zinc/85/18/12/579851812.db2.gz JWIDQPIOGFOEME-UHFFFAOYSA-N 2 2 326.404 0.425 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1 ZINC000891608040 586181085 /nfs/dbraw/zinc/18/10/85/586181085.db2.gz UOIXFZDCQWZSND-QGZVFWFLSA-N 2 2 340.427 0.784 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1 ZINC000891608040 586181086 /nfs/dbraw/zinc/18/10/86/586181086.db2.gz UOIXFZDCQWZSND-QGZVFWFLSA-N 2 2 340.427 0.784 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000891608040 586181088 /nfs/dbraw/zinc/18/10/88/586181088.db2.gz UOIXFZDCQWZSND-QGZVFWFLSA-N 2 2 340.427 0.784 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH+](C)C3)C1 ZINC000891608040 586181089 /nfs/dbraw/zinc/18/10/89/586181089.db2.gz UOIXFZDCQWZSND-QGZVFWFLSA-N 2 2 340.427 0.784 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCO[C@@](C)(C#N)C3)C2)CC1 ZINC000893022431 586306116 /nfs/dbraw/zinc/30/61/16/586306116.db2.gz LNGJRNLLPBRBAT-YOEHRIQHSA-N 2 2 335.452 0.479 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@@](C)(C#N)C3)C2)CC1 ZINC000893022431 586306118 /nfs/dbraw/zinc/30/61/18/586306118.db2.gz LNGJRNLLPBRBAT-YOEHRIQHSA-N 2 2 335.452 0.479 20 30 ECEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)N=S(C)(C)=O)cc1 ZINC000902717838 586755061 /nfs/dbraw/zinc/75/50/61/586755061.db2.gz VXHGYQCIRVOZAD-UHFFFAOYSA-N 2 2 326.422 0.639 20 30 ECEDLP N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000819077884 587466740 /nfs/dbraw/zinc/46/67/40/587466740.db2.gz QAXQXRAZBUTBJY-OALUTQOASA-N 2 2 344.459 0.588 20 30 ECEDLP C=C[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000852714692 589507103 /nfs/dbraw/zinc/50/71/03/589507103.db2.gz ZFQJNTLDBKUYQM-WBVHZDCISA-N 2 2 335.448 0.315 20 30 ECEDLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852873287 589520998 /nfs/dbraw/zinc/52/09/98/589520998.db2.gz ZIYWZBFILDFKIF-MRXNPFEDSA-N 2 2 346.475 0.145 20 30 ECEDLP NC(=[NH+]OC[C@@H]1COCCO1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000853657827 589553915 /nfs/dbraw/zinc/55/39/15/589553915.db2.gz JXIMOEHSUJZQOM-INIZCTEOSA-N 2 2 335.404 0.571 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)CC1 ZINC000855115365 589620494 /nfs/dbraw/zinc/62/04/94/589620494.db2.gz UGHNKUDLRSLHCA-OAHLLOKOSA-N 2 2 332.448 0.941 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(=O)OC)[C@H]3CCC[C@H]32)CC1 ZINC000859951110 589731018 /nfs/dbraw/zinc/73/10/18/589731018.db2.gz JOTYHHIUAIKEHO-IXDOHACOSA-N 2 2 347.459 0.427 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@H]3CCC[C@H]32)CC1 ZINC000859951110 589731021 /nfs/dbraw/zinc/73/10/21/589731021.db2.gz JOTYHHIUAIKEHO-IXDOHACOSA-N 2 2 347.459 0.427 20 30 ECEDLP C#CC[C@@H](CCOC)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000858238637 589734488 /nfs/dbraw/zinc/73/44/88/589734488.db2.gz KVWUWSSSPASKCF-JKSUJKDBSA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[C@@H](CCOC)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000858238637 589734489 /nfs/dbraw/zinc/73/44/89/589734489.db2.gz KVWUWSSSPASKCF-JKSUJKDBSA-N 2 2 336.480 0.883 20 30 ECEDLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000870981427 590042327 /nfs/dbraw/zinc/04/23/27/590042327.db2.gz KBXVSZSCVFJGTG-HNNXBMFYSA-N 2 2 333.411 0.625 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000871220242 590056295 /nfs/dbraw/zinc/05/62/95/590056295.db2.gz MXNZNGJJSPTJMT-UHFFFAOYSA-N 2 2 341.459 0.509 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC000879580700 590324572 /nfs/dbraw/zinc/32/45/72/590324572.db2.gz JIIRZWUHEZGNSU-KURKYZTESA-N 2 2 347.507 0.705 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC000879580700 590324575 /nfs/dbraw/zinc/32/45/75/590324575.db2.gz JIIRZWUHEZGNSU-KURKYZTESA-N 2 2 347.507 0.705 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000879580700 590324578 /nfs/dbraw/zinc/32/45/78/590324578.db2.gz JIIRZWUHEZGNSU-KURKYZTESA-N 2 2 347.507 0.705 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000879580700 590324581 /nfs/dbraw/zinc/32/45/81/590324581.db2.gz JIIRZWUHEZGNSU-KURKYZTESA-N 2 2 347.507 0.705 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(C(=O)OC)CCC[C@@H]23)CC1 ZINC000880180877 590375353 /nfs/dbraw/zinc/37/53/53/590375353.db2.gz ILOZSIWKEQWMPU-QAPCUYQASA-N 2 2 333.432 0.181 20 30 ECEDLP C#CCC1(O)CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000880481861 590395157 /nfs/dbraw/zinc/39/51/57/590395157.db2.gz QQOFXOBBSCFPBL-UHFFFAOYSA-N 2 2 345.443 0.774 20 30 ECEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)[C@H](C)CO1 ZINC000876960718 590429718 /nfs/dbraw/zinc/42/97/18/590429718.db2.gz LLYFBIZKTOBVLU-HBUWYVDXSA-N 2 2 342.443 0.970 20 30 ECEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)[C@H](C)CO1 ZINC000876960718 590429719 /nfs/dbraw/zinc/42/97/19/590429719.db2.gz LLYFBIZKTOBVLU-HBUWYVDXSA-N 2 2 342.443 0.970 20 30 ECEDLP C[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000877989127 590491220 /nfs/dbraw/zinc/49/12/20/590491220.db2.gz TVZCORLQDCSOIB-UHFFFAOYSA-N 2 2 342.447 0.286 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(CO)CCc3ccccc32)CC1 ZINC000132388178 590633864 /nfs/dbraw/zinc/63/38/64/590633864.db2.gz ASLDZLXHOHSTSZ-LJQANCHMSA-N 2 2 327.428 0.187 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000884189289 590768153 /nfs/dbraw/zinc/76/81/53/590768153.db2.gz BKFKFLZHMQGCES-HNNXBMFYSA-N 2 2 339.436 0.004 20 30 ECEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886043331 590787468 /nfs/dbraw/zinc/78/74/68/590787468.db2.gz AFGARMRKSCZJFM-CVEARBPZSA-N 2 2 334.464 0.670 20 30 ECEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886043331 590787472 /nfs/dbraw/zinc/78/74/72/590787472.db2.gz AFGARMRKSCZJFM-CVEARBPZSA-N 2 2 334.464 0.670 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000135573171 590928888 /nfs/dbraw/zinc/92/88/88/590928888.db2.gz YBNBVIQSDNHXKU-INIZCTEOSA-N 2 2 329.448 0.507 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCCc3c2cnn3C)CC1 ZINC000135573171 590928892 /nfs/dbraw/zinc/92/88/92/590928892.db2.gz YBNBVIQSDNHXKU-INIZCTEOSA-N 2 2 329.448 0.507 20 30 ECEDLP COC[C@H](C)NC(=[NH2+])NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000104170730 591053111 /nfs/dbraw/zinc/05/31/11/591053111.db2.gz XBSJCAAUSCFHEG-AWEZNQCLSA-N 2 2 337.443 0.887 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000890370563 591152776 /nfs/dbraw/zinc/15/27/76/591152776.db2.gz BMAMVJJZNCQTSF-DLBZAZTESA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000890370563 591152778 /nfs/dbraw/zinc/15/27/78/591152778.db2.gz BMAMVJJZNCQTSF-DLBZAZTESA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000890370990 591153455 /nfs/dbraw/zinc/15/34/55/591153455.db2.gz KAEQUJVNSRAWFW-QZTJIDSGSA-N 2 2 348.491 0.980 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000890370990 591153458 /nfs/dbraw/zinc/15/34/58/591153458.db2.gz KAEQUJVNSRAWFW-QZTJIDSGSA-N 2 2 348.491 0.980 20 30 ECEDLP COc1ncc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C#N ZINC000932517780 611636469 /nfs/dbraw/zinc/63/64/69/611636469.db2.gz LMXVTCHHSQBZMZ-UHFFFAOYSA-N 2 2 334.424 0.967 20 30 ECEDLP COc1ncc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C#N ZINC000932517780 611636471 /nfs/dbraw/zinc/63/64/71/611636471.db2.gz LMXVTCHHSQBZMZ-UHFFFAOYSA-N 2 2 334.424 0.967 20 30 ECEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CO[NH+]=C(N)c2ccccc2)C1 ZINC000178114215 608948209 /nfs/dbraw/zinc/94/82/09/608948209.db2.gz DFYBGVXMSKGEPK-MRXNPFEDSA-N 2 2 348.447 0.797 20 30 ECEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CO[NH+]=C(N)c2ccccc2)C1 ZINC000178114215 608948211 /nfs/dbraw/zinc/94/82/11/608948211.db2.gz DFYBGVXMSKGEPK-MRXNPFEDSA-N 2 2 348.447 0.797 20 30 ECEDLP C[NH+](C)CC#CCNC(=O)[C@@H]1CC[C@H](C(N)=O)[N@@H+]1Cc1ccccc1 ZINC000913524723 609684336 /nfs/dbraw/zinc/68/43/36/609684336.db2.gz ZNPJAZZBSSTQJK-SJORKVTESA-N 2 2 342.443 0.186 20 30 ECEDLP C[NH+](C)CC#CCNC(=O)[C@@H]1CC[C@H](C(N)=O)[N@H+]1Cc1ccccc1 ZINC000913524723 609684338 /nfs/dbraw/zinc/68/43/38/609684338.db2.gz ZNPJAZZBSSTQJK-SJORKVTESA-N 2 2 342.443 0.186 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456019 610318540 /nfs/dbraw/zinc/31/85/40/610318540.db2.gz KJGMHIIUUOKPEP-MJGOQNOKSA-N 2 2 344.503 0.855 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456019 610318542 /nfs/dbraw/zinc/31/85/42/610318542.db2.gz KJGMHIIUUOKPEP-MJGOQNOKSA-N 2 2 344.503 0.855 20 30 ECEDLP C=CC[NH+]1CC(N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC000941475044 610331863 /nfs/dbraw/zinc/33/18/63/610331863.db2.gz KFTXCGVNADZJDD-UHFFFAOYSA-N 2 2 325.416 0.962 20 30 ECEDLP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000941571411 610378253 /nfs/dbraw/zinc/37/82/53/610378253.db2.gz VWRNLBOIBMRCRN-IAGOWNOFSA-N 2 2 343.475 0.928 20 30 ECEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)CCn1cc[nH+]c1)CCO2 ZINC000949153845 611878784 /nfs/dbraw/zinc/87/87/84/611878784.db2.gz ISCJKXGBJKPLPO-UHFFFAOYSA-N 2 2 330.432 0.990 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1cc[nH+]c1C ZINC000950755199 611890729 /nfs/dbraw/zinc/89/07/29/611890729.db2.gz GMIAMKFKNUTOFA-CVEARBPZSA-N 2 2 343.431 0.006 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)Cn1cc[nH+]c1C ZINC000950755199 611890732 /nfs/dbraw/zinc/89/07/32/611890732.db2.gz GMIAMKFKNUTOFA-CVEARBPZSA-N 2 2 343.431 0.006 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104273134 733560846 /nfs/dbraw/zinc/56/08/46/733560846.db2.gz NFZKMEIYKILMAZ-HUUCEWRRSA-N 2 2 347.463 0.719 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104273134 733560847 /nfs/dbraw/zinc/56/08/47/733560847.db2.gz NFZKMEIYKILMAZ-HUUCEWRRSA-N 2 2 347.463 0.719 20 30 ECEDLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078174587 782429316 /nfs/dbraw/zinc/42/93/16/782429316.db2.gz PVMUDOWHDOZTJK-KCPJHIHWSA-N 2 2 334.445 0.233 20 30 ECEDLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078174587 782429321 /nfs/dbraw/zinc/42/93/21/782429321.db2.gz PVMUDOWHDOZTJK-KCPJHIHWSA-N 2 2 334.445 0.233 20 30 ECEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078174587 782429327 /nfs/dbraw/zinc/42/93/27/782429327.db2.gz PVMUDOWHDOZTJK-KCPJHIHWSA-N 2 2 334.445 0.233 20 30 ECEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078174587 782429332 /nfs/dbraw/zinc/42/93/32/782429332.db2.gz PVMUDOWHDOZTJK-KCPJHIHWSA-N 2 2 334.445 0.233 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069987925 790281583 /nfs/dbraw/zinc/28/15/83/790281583.db2.gz ABQMZHTXGNFOIV-IXDOHACOSA-N 2 2 344.463 0.680 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069987925 790281588 /nfs/dbraw/zinc/28/15/88/790281588.db2.gz ABQMZHTXGNFOIV-IXDOHACOSA-N 2 2 344.463 0.680 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)n(C)n2)C1 ZINC000971703280 734964606 /nfs/dbraw/zinc/96/46/06/734964606.db2.gz CDOXYBGXLDUSLZ-ROUUACIJSA-N 2 2 343.475 0.859 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)n(C)n2)C1 ZINC000971703280 734964607 /nfs/dbraw/zinc/96/46/07/734964607.db2.gz CDOXYBGXLDUSLZ-ROUUACIJSA-N 2 2 343.475 0.859 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cc(C)n(C)n2)C1 ZINC000971703280 734964613 /nfs/dbraw/zinc/96/46/13/734964613.db2.gz CDOXYBGXLDUSLZ-ROUUACIJSA-N 2 2 343.475 0.859 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2CC)C1 ZINC000971703631 734964791 /nfs/dbraw/zinc/96/47/91/734964791.db2.gz JXBLDXUTEZKWBC-WBVHZDCISA-N 2 2 344.463 0.428 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2CC)C1 ZINC000971703631 734964795 /nfs/dbraw/zinc/96/47/95/734964795.db2.gz JXBLDXUTEZKWBC-WBVHZDCISA-N 2 2 344.463 0.428 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cnnn2CC)C1 ZINC000971703631 734964797 /nfs/dbraw/zinc/96/47/97/734964797.db2.gz JXBLDXUTEZKWBC-WBVHZDCISA-N 2 2 344.463 0.428 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cnnn2CC)C1 ZINC000971703631 734964800 /nfs/dbraw/zinc/96/48/00/734964800.db2.gz JXBLDXUTEZKWBC-WBVHZDCISA-N 2 2 344.463 0.428 20 30 ECEDLP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972432152 736182449 /nfs/dbraw/zinc/18/24/49/736182449.db2.gz YUOXOZVXGHHOPD-JFIYKMOQSA-N 2 2 337.464 0.585 20 30 ECEDLP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972432152 736182450 /nfs/dbraw/zinc/18/24/50/736182450.db2.gz YUOXOZVXGHHOPD-JFIYKMOQSA-N 2 2 337.464 0.585 20 30 ECEDLP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972432152 736182454 /nfs/dbraw/zinc/18/24/54/736182454.db2.gz YUOXOZVXGHHOPD-JFIYKMOQSA-N 2 2 337.464 0.585 20 30 ECEDLP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972432152 736182456 /nfs/dbraw/zinc/18/24/56/736182456.db2.gz YUOXOZVXGHHOPD-JFIYKMOQSA-N 2 2 337.464 0.585 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000972561715 736790709 /nfs/dbraw/zinc/79/07/09/736790709.db2.gz VWSWDIOMFVGOLX-GPMSIDNRSA-N 2 2 342.443 0.850 20 30 ECEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000972561715 736790714 /nfs/dbraw/zinc/79/07/14/736790714.db2.gz VWSWDIOMFVGOLX-GPMSIDNRSA-N 2 2 342.443 0.850 20 30 ECEDLP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682071 737370340 /nfs/dbraw/zinc/37/03/40/737370340.db2.gz CHROSGKDMRMGEL-WMZOPIPTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682071 737370344 /nfs/dbraw/zinc/37/03/44/737370344.db2.gz CHROSGKDMRMGEL-WMZOPIPTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682071 737370346 /nfs/dbraw/zinc/37/03/46/737370346.db2.gz CHROSGKDMRMGEL-WMZOPIPTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682071 737370349 /nfs/dbraw/zinc/37/03/49/737370349.db2.gz CHROSGKDMRMGEL-WMZOPIPTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)C[N@H+](CC=C)CCO3)CC1 ZINC000972687014 737379496 /nfs/dbraw/zinc/37/94/96/737379496.db2.gz FBHSHTYKAYJIOW-IBGZPJMESA-N 2 2 331.460 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)C[N@@H+](CC=C)CCO3)CC1 ZINC000972687014 737379499 /nfs/dbraw/zinc/37/94/99/737379499.db2.gz FBHSHTYKAYJIOW-IBGZPJMESA-N 2 2 331.460 0.821 20 30 ECEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006120 790305950 /nfs/dbraw/zinc/30/59/50/790305950.db2.gz DRCIQIZWJSIUCM-ZACQAIPSSA-N 2 2 344.463 0.375 20 30 ECEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006120 790305955 /nfs/dbraw/zinc/30/59/55/790305955.db2.gz DRCIQIZWJSIUCM-ZACQAIPSSA-N 2 2 344.463 0.375 20 30 ECEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006120 790305959 /nfs/dbraw/zinc/30/59/59/790305959.db2.gz DRCIQIZWJSIUCM-ZACQAIPSSA-N 2 2 344.463 0.375 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006120 790305966 /nfs/dbraw/zinc/30/59/66/790305966.db2.gz DRCIQIZWJSIUCM-ZACQAIPSSA-N 2 2 344.463 0.375 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nc(C)no2)CC1 ZINC001026508494 741495483 /nfs/dbraw/zinc/49/54/83/741495483.db2.gz YFRNCKPQGUTEQT-GPANFISMSA-N 2 2 345.447 0.993 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nc(C)no2)CC1 ZINC001026508494 741495484 /nfs/dbraw/zinc/49/54/84/741495484.db2.gz YFRNCKPQGUTEQT-GPANFISMSA-N 2 2 345.447 0.993 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC001026893007 742037199 /nfs/dbraw/zinc/03/71/99/742037199.db2.gz GIVXAXWMKWBPHJ-GJZGRUSLSA-N 2 2 331.420 0.414 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC001026893007 742037201 /nfs/dbraw/zinc/03/72/01/742037201.db2.gz GIVXAXWMKWBPHJ-GJZGRUSLSA-N 2 2 331.420 0.414 20 30 ECEDLP N#CCN1CC[NH+](C2CCC(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000996803255 742893612 /nfs/dbraw/zinc/89/36/12/742893612.db2.gz RMFIDFGKEINGNL-UHFFFAOYSA-N 2 2 330.436 0.452 20 30 ECEDLP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000996828585 742927019 /nfs/dbraw/zinc/92/70/19/742927019.db2.gz FEZPMADWKGSOOD-SJORKVTESA-N 2 2 337.464 0.633 20 30 ECEDLP CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261990140 743306660 /nfs/dbraw/zinc/30/66/60/743306660.db2.gz RDKBNXABZCKIQM-AWEZNQCLSA-N 2 2 344.525 0.945 20 30 ECEDLP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1CC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261990140 743306669 /nfs/dbraw/zinc/30/66/69/743306669.db2.gz RDKBNXABZCKIQM-AWEZNQCLSA-N 2 2 344.525 0.945 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC000999834705 744930041 /nfs/dbraw/zinc/93/00/41/744930041.db2.gz DNBVIQJIKSDZQM-CVEARBPZSA-N 2 2 345.447 0.641 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(C)no2)C1 ZINC000983907786 745489903 /nfs/dbraw/zinc/48/99/03/745489903.db2.gz ZWRSIOFTUQYFCE-KKUMJFAQSA-N 2 2 331.420 0.460 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nc(C)no2)C1 ZINC000983907786 745489907 /nfs/dbraw/zinc/48/99/07/745489907.db2.gz ZWRSIOFTUQYFCE-KKUMJFAQSA-N 2 2 331.420 0.460 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001000559480 745594677 /nfs/dbraw/zinc/59/46/77/745594677.db2.gz HTXMIEOGACDNOV-KBPBESRZSA-N 2 2 331.420 0.320 20 30 ECEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978525469 746404665 /nfs/dbraw/zinc/40/46/65/746404665.db2.gz JSGNXRGJTCVGTJ-AKHDSKFASA-N 2 2 345.487 0.805 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978525469 746404668 /nfs/dbraw/zinc/40/46/68/746404668.db2.gz JSGNXRGJTCVGTJ-AKHDSKFASA-N 2 2 345.487 0.805 20 30 ECEDLP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@@H+]3CC3CCC3)[C@@H]2C1 ZINC000978525469 746404672 /nfs/dbraw/zinc/40/46/72/746404672.db2.gz JSGNXRGJTCVGTJ-AKHDSKFASA-N 2 2 345.487 0.805 20 30 ECEDLP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@H+]3CC3CCC3)[C@@H]2C1 ZINC000978525469 746404677 /nfs/dbraw/zinc/40/46/77/746404677.db2.gz JSGNXRGJTCVGTJ-AKHDSKFASA-N 2 2 345.487 0.805 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2CC)C1=O ZINC001087847645 746490512 /nfs/dbraw/zinc/49/05/12/746490512.db2.gz KHGOLVBRZCKWIV-XHSDSOJGSA-N 2 2 345.447 0.639 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2CC)C1=O ZINC001087847645 746490517 /nfs/dbraw/zinc/49/05/17/746490517.db2.gz KHGOLVBRZCKWIV-XHSDSOJGSA-N 2 2 345.447 0.639 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001003055842 748124689 /nfs/dbraw/zinc/12/46/89/748124689.db2.gz KMGNPAFPEANJRH-KRWDZBQOSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001003055842 748124693 /nfs/dbraw/zinc/12/46/93/748124693.db2.gz KMGNPAFPEANJRH-KRWDZBQOSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cnn(C)n2)C1 ZINC001029758025 748269704 /nfs/dbraw/zinc/26/97/04/748269704.db2.gz OYLHZYPNURGZQT-WBVHZDCISA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cnn(C)n2)C1 ZINC001029758025 748269707 /nfs/dbraw/zinc/26/97/07/748269707.db2.gz OYLHZYPNURGZQT-WBVHZDCISA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2cnn(C)n2)C1 ZINC001029758025 748269710 /nfs/dbraw/zinc/26/97/10/748269710.db2.gz OYLHZYPNURGZQT-WBVHZDCISA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2cnn(C)n2)C1 ZINC001029758025 748269712 /nfs/dbraw/zinc/26/97/12/748269712.db2.gz OYLHZYPNURGZQT-WBVHZDCISA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cnon2)C1 ZINC001029758225 748270754 /nfs/dbraw/zinc/27/07/54/748270754.db2.gz VRLIJODBKDXOCF-ZBFHGGJFSA-N 2 2 331.420 0.448 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cnon2)C1 ZINC001029758225 748270760 /nfs/dbraw/zinc/27/07/60/748270760.db2.gz VRLIJODBKDXOCF-ZBFHGGJFSA-N 2 2 331.420 0.448 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2cnon2)C1 ZINC001029758225 748270768 /nfs/dbraw/zinc/27/07/68/748270768.db2.gz VRLIJODBKDXOCF-ZBFHGGJFSA-N 2 2 331.420 0.448 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262806194 749832724 /nfs/dbraw/zinc/83/27/24/749832724.db2.gz SGXTYLHANJCTSA-HNNXBMFYSA-N 3 2 347.511 0.979 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)[nH]3)[C@H]2C)CC1 ZINC000987567686 750969962 /nfs/dbraw/zinc/96/99/62/750969962.db2.gz GBSPYKLZKVOYGC-CZUORRHYSA-N 2 2 344.463 0.537 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001098683119 753690814 /nfs/dbraw/zinc/69/08/14/753690814.db2.gz QDWLHQCJAGQMLM-INIZCTEOSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001098683119 753690818 /nfs/dbraw/zinc/69/08/18/753690818.db2.gz QDWLHQCJAGQMLM-INIZCTEOSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC001105377144 754472291 /nfs/dbraw/zinc/47/22/91/754472291.db2.gz RNUAYANQOQDGLI-OKILXGFUSA-N 2 2 330.436 0.257 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC001105377144 754472294 /nfs/dbraw/zinc/47/22/94/754472294.db2.gz RNUAYANQOQDGLI-OKILXGFUSA-N 2 2 330.436 0.257 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC000989828637 754497827 /nfs/dbraw/zinc/49/78/27/754497827.db2.gz GXSPBNLLDAEYIG-CZUORRHYSA-N 2 2 345.447 0.802 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CNc2cc[nH+]c(C)n2)CC1 ZINC001105880355 762359669 /nfs/dbraw/zinc/35/96/69/762359669.db2.gz AEPPQCLOJBIIEQ-HNNXBMFYSA-N 2 2 331.420 0.019 20 30 ECEDLP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@H]2C1 ZINC001048960721 757522453 /nfs/dbraw/zinc/52/24/53/757522453.db2.gz KCJOXKFCZCJTSC-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@H]2C1 ZINC001048960721 757522459 /nfs/dbraw/zinc/52/24/59/757522459.db2.gz KCJOXKFCZCJTSC-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@H]2C1 ZINC001048960721 757522466 /nfs/dbraw/zinc/52/24/66/757522466.db2.gz KCJOXKFCZCJTSC-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@H]2C1 ZINC001048960721 757522473 /nfs/dbraw/zinc/52/24/73/757522473.db2.gz KCJOXKFCZCJTSC-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001077014367 757941153 /nfs/dbraw/zinc/94/11/53/757941153.db2.gz SJSGJXHBDYHFTM-QBPKDAKJSA-N 2 2 344.459 0.891 20 30 ECEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001077014367 757941162 /nfs/dbraw/zinc/94/11/62/757941162.db2.gz SJSGJXHBDYHFTM-QBPKDAKJSA-N 2 2 344.459 0.891 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001021926472 758069256 /nfs/dbraw/zinc/06/92/56/758069256.db2.gz PKMSFTVBFFMWGP-GRYCIOLGSA-N 2 2 332.242 0.462 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001021926472 758069264 /nfs/dbraw/zinc/06/92/64/758069264.db2.gz PKMSFTVBFFMWGP-GRYCIOLGSA-N 2 2 332.242 0.462 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1 ZINC001021927898 758071774 /nfs/dbraw/zinc/07/17/74/758071774.db2.gz JJVXFTLJWZJYHD-HLLBOEOZSA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1 ZINC001021927898 758071780 /nfs/dbraw/zinc/07/17/80/758071780.db2.gz JJVXFTLJWZJYHD-HLLBOEOZSA-N 2 2 346.406 0.765 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nccs2)C1 ZINC001051660077 762617785 /nfs/dbraw/zinc/61/77/85/762617785.db2.gz KIQUYNZHZHQSEQ-GJZGRUSLSA-N 2 2 348.472 0.558 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nccs2)C1 ZINC001051660077 762617788 /nfs/dbraw/zinc/61/77/88/762617788.db2.gz KIQUYNZHZHQSEQ-GJZGRUSLSA-N 2 2 348.472 0.558 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=O)N(C)C ZINC001049528072 758865098 /nfs/dbraw/zinc/86/50/98/758865098.db2.gz BQYWBMHBXMCVQQ-ZACQAIPSSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001049528072 758865108 /nfs/dbraw/zinc/86/51/08/758865108.db2.gz BQYWBMHBXMCVQQ-ZACQAIPSSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(=O)N(C)C ZINC001049528072 758865120 /nfs/dbraw/zinc/86/51/20/758865120.db2.gz BQYWBMHBXMCVQQ-ZACQAIPSSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(=O)N(C)C ZINC001049528072 758865131 /nfs/dbraw/zinc/86/51/31/758865131.db2.gz BQYWBMHBXMCVQQ-ZACQAIPSSA-N 2 2 346.475 0.238 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107079333 759800056 /nfs/dbraw/zinc/80/00/56/759800056.db2.gz YHZQRCZYJXLWKV-QLFBSQMISA-N 2 2 333.436 0.258 20 30 ECEDLP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046995880 763536435 /nfs/dbraw/zinc/53/64/35/763536435.db2.gz MDAYJCZYQPPJME-KGLIPLIRSA-N 2 2 331.407 0.967 20 30 ECEDLP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046995880 763536442 /nfs/dbraw/zinc/53/64/42/763536442.db2.gz MDAYJCZYQPPJME-KGLIPLIRSA-N 2 2 331.407 0.967 20 30 ECEDLP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046995880 763536450 /nfs/dbraw/zinc/53/64/50/763536450.db2.gz MDAYJCZYQPPJME-KGLIPLIRSA-N 2 2 331.407 0.967 20 30 ECEDLP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046995880 763536456 /nfs/dbraw/zinc/53/64/56/763536456.db2.gz MDAYJCZYQPPJME-KGLIPLIRSA-N 2 2 331.407 0.967 20 30 ECEDLP N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001052051559 763711697 /nfs/dbraw/zinc/71/16/97/763711697.db2.gz BGDMXVFYVHSADM-KRWDZBQOSA-N 2 2 338.415 0.690 20 30 ECEDLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052093152 763836128 /nfs/dbraw/zinc/83/61/28/763836128.db2.gz KEBJQKUOFFGYQQ-ROUUACIJSA-N 2 2 347.507 0.991 20 30 ECEDLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052093152 763836140 /nfs/dbraw/zinc/83/61/40/763836140.db2.gz KEBJQKUOFFGYQQ-ROUUACIJSA-N 2 2 347.507 0.991 20 30 ECEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107936 763889182 /nfs/dbraw/zinc/88/91/82/763889182.db2.gz IAOFESISDZHWLF-QZTJIDSGSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107936 763889193 /nfs/dbraw/zinc/88/91/93/763889193.db2.gz IAOFESISDZHWLF-QZTJIDSGSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1O ZINC001047415031 764273688 /nfs/dbraw/zinc/27/36/88/764273688.db2.gz CULAHPDOLBJPRT-FHWLQOOXSA-N 2 2 341.455 0.788 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC001047415031 764273694 /nfs/dbraw/zinc/27/36/94/764273694.db2.gz CULAHPDOLBJPRT-FHWLQOOXSA-N 2 2 341.455 0.788 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1O ZINC001047415031 764273701 /nfs/dbraw/zinc/27/37/01/764273701.db2.gz CULAHPDOLBJPRT-FHWLQOOXSA-N 2 2 341.455 0.788 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1O ZINC001047415031 764273706 /nfs/dbraw/zinc/27/37/06/764273706.db2.gz CULAHPDOLBJPRT-FHWLQOOXSA-N 2 2 341.455 0.788 20 30 ECEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001017617880 768200788 /nfs/dbraw/zinc/20/07/88/768200788.db2.gz VAOYXQLKFNZUCL-IXDOHACOSA-N 2 2 329.448 0.512 20 30 ECEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001017617880 768200793 /nfs/dbraw/zinc/20/07/93/768200793.db2.gz VAOYXQLKFNZUCL-IXDOHACOSA-N 2 2 329.448 0.512 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)nn1 ZINC001098766177 764480541 /nfs/dbraw/zinc/48/05/41/764480541.db2.gz ACGWJGKGYIKMII-HNNXBMFYSA-N 2 2 343.435 0.693 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C2)CC1 ZINC001016338054 766145749 /nfs/dbraw/zinc/14/57/49/766145749.db2.gz VWPMPDGWJAKREW-KRWDZBQOSA-N 2 2 343.475 0.764 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)n(C)n3)C2)CC1 ZINC001016338054 766145752 /nfs/dbraw/zinc/14/57/52/766145752.db2.gz VWPMPDGWJAKREW-KRWDZBQOSA-N 2 2 343.475 0.764 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)CO2 ZINC001053804415 766893039 /nfs/dbraw/zinc/89/30/39/766893039.db2.gz TUQGHNLBADJIMG-HNNXBMFYSA-N 2 2 347.463 0.594 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2COC3(C[NH+]([C@@H](C)COC)C3)C2)CC1 ZINC001054014472 767600640 /nfs/dbraw/zinc/60/06/40/767600640.db2.gz BJHJYHMFUOPUIZ-RDJZCZTQSA-N 2 2 349.475 0.326 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1CCO ZINC001054044129 767642907 /nfs/dbraw/zinc/64/29/07/767642907.db2.gz RVIORJVELGMFBN-OALUTQOASA-N 2 2 341.455 0.619 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1CCO ZINC001054044129 767642912 /nfs/dbraw/zinc/64/29/12/767642912.db2.gz RVIORJVELGMFBN-OALUTQOASA-N 2 2 341.455 0.619 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[NH+]1CCO ZINC001054044129 767642917 /nfs/dbraw/zinc/64/29/17/767642917.db2.gz RVIORJVELGMFBN-OALUTQOASA-N 2 2 341.455 0.619 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1Cc2ccccc2C[NH+]1CCO ZINC001054044129 767642921 /nfs/dbraw/zinc/64/29/21/767642921.db2.gz RVIORJVELGMFBN-OALUTQOASA-N 2 2 341.455 0.619 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780757 767817295 /nfs/dbraw/zinc/81/72/95/767817295.db2.gz ZEFCJGWYEALQTN-HOCLYGCPSA-N 2 2 330.436 0.116 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780757 767817303 /nfs/dbraw/zinc/81/73/03/767817303.db2.gz ZEFCJGWYEALQTN-HOCLYGCPSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ncccn2)C1 ZINC001020250852 772351444 /nfs/dbraw/zinc/35/14/44/772351444.db2.gz URMRYAKHYHHCFV-VGWMRTNUSA-N 2 2 327.432 0.872 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ncccn2)C1 ZINC001020250852 772351452 /nfs/dbraw/zinc/35/14/52/772351452.db2.gz URMRYAKHYHHCFV-VGWMRTNUSA-N 2 2 327.432 0.872 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ncnn1CC ZINC001045073278 774935337 /nfs/dbraw/zinc/93/53/37/774935337.db2.gz BDBDVDYYGZXGEM-HOTGVXAUSA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ncnn1CC ZINC001045073278 774935344 /nfs/dbraw/zinc/93/53/44/774935344.db2.gz BDBDVDYYGZXGEM-HOTGVXAUSA-N 2 2 344.463 0.476 20 30 ECEDLP C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070446279 784100102 /nfs/dbraw/zinc/10/01/02/784100102.db2.gz YEIZOJDTOREZHP-HUUCEWRRSA-N 2 2 346.479 0.867 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001070488739 784180024 /nfs/dbraw/zinc/18/00/24/784180024.db2.gz GJSWMILYYVAIKV-DZGCQCFKSA-N 2 2 326.404 0.293 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001070970412 784268420 /nfs/dbraw/zinc/26/84/20/784268420.db2.gz DXRGWMGHLBXPOY-UHFFFAOYSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001070970412 784268422 /nfs/dbraw/zinc/26/84/22/784268422.db2.gz DXRGWMGHLBXPOY-UHFFFAOYSA-N 2 2 336.480 0.697 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NCC#N ZINC001070688427 784553524 /nfs/dbraw/zinc/55/35/24/784553524.db2.gz FJISKSOGXHSLAD-HUUCEWRRSA-N 2 2 344.463 0.560 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1NCC#N ZINC001070688427 784553528 /nfs/dbraw/zinc/55/35/28/784553528.db2.gz FJISKSOGXHSLAD-HUUCEWRRSA-N 2 2 344.463 0.560 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001074366104 786769577 /nfs/dbraw/zinc/76/95/77/786769577.db2.gz OVZUUQPASJUSGH-ZWKOTPCHSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001074366104 786769584 /nfs/dbraw/zinc/76/95/84/786769584.db2.gz OVZUUQPASJUSGH-ZWKOTPCHSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924772 790196048 /nfs/dbraw/zinc/19/60/48/790196048.db2.gz DXHALWKBBRQRAA-IKGGRYGDSA-N 2 2 344.463 0.516 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924772 790196050 /nfs/dbraw/zinc/19/60/50/790196050.db2.gz DXHALWKBBRQRAA-IKGGRYGDSA-N 2 2 344.463 0.516 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924772 790196051 /nfs/dbraw/zinc/19/60/51/790196051.db2.gz DXHALWKBBRQRAA-IKGGRYGDSA-N 2 2 344.463 0.516 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924772 790196053 /nfs/dbraw/zinc/19/60/53/790196053.db2.gz DXHALWKBBRQRAA-IKGGRYGDSA-N 2 2 344.463 0.516 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1=O ZINC001266748673 836237987 /nfs/dbraw/zinc/23/79/87/836237987.db2.gz KBRYLMHKGWWPBU-CABCVRRESA-N 2 2 345.447 0.280 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001266897730 836449422 /nfs/dbraw/zinc/44/94/22/836449422.db2.gz PQRIBNNMFSKUJG-LSDHHAIUSA-N 2 2 333.436 0.402 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001266897730 836449426 /nfs/dbraw/zinc/44/94/26/836449426.db2.gz PQRIBNNMFSKUJG-LSDHHAIUSA-N 2 2 333.436 0.402 20 30 ECEDLP C=CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001267209606 836996390 /nfs/dbraw/zinc/99/63/90/836996390.db2.gz FYOSGHMETAYUQW-CVEARBPZSA-N 2 2 325.453 0.490 20 30 ECEDLP C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001267209606 836996400 /nfs/dbraw/zinc/99/64/00/836996400.db2.gz FYOSGHMETAYUQW-CVEARBPZSA-N 2 2 325.453 0.490 20 30 ECEDLP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001267691234 838261819 /nfs/dbraw/zinc/26/18/19/838261819.db2.gz WCGHXFNZXAWWRD-JKSUJKDBSA-N 2 2 347.463 0.917 20 30 ECEDLP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001267691234 838261823 /nfs/dbraw/zinc/26/18/23/838261823.db2.gz WCGHXFNZXAWWRD-JKSUJKDBSA-N 2 2 347.463 0.917 20 30 ECEDLP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267708372 838316304 /nfs/dbraw/zinc/31/63/04/838316304.db2.gz IAGYEGIWHBWYLU-XIRDDKMYSA-N 2 2 330.432 0.933 20 30 ECEDLP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267708372 838316309 /nfs/dbraw/zinc/31/63/09/838316309.db2.gz IAGYEGIWHBWYLU-XIRDDKMYSA-N 2 2 330.432 0.933 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001267845710 838643379 /nfs/dbraw/zinc/64/33/79/838643379.db2.gz XSMBJCHZRBEOMJ-CQSZACIVSA-N 2 2 345.447 0.119 20 30 ECEDLP C[C@@H]1CCCC[C@@]1(C[NH2+]CC(=O)NCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001267873484 838669252 /nfs/dbraw/zinc/66/92/52/838669252.db2.gz XUFWFZDVTBEBLL-PBHICJAKSA-N 2 2 346.435 0.178 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486373 529781164 /nfs/dbraw/zinc/78/11/64/529781164.db2.gz NWZAYVWVZLKWTM-GOSISDBHSA-N 2 2 342.443 0.923 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486373 529781165 /nfs/dbraw/zinc/78/11/65/529781165.db2.gz NWZAYVWVZLKWTM-GOSISDBHSA-N 2 2 342.443 0.923 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486373 529781167 /nfs/dbraw/zinc/78/11/67/529781167.db2.gz NWZAYVWVZLKWTM-GOSISDBHSA-N 2 2 342.443 0.923 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486373 529781168 /nfs/dbraw/zinc/78/11/68/529781168.db2.gz NWZAYVWVZLKWTM-GOSISDBHSA-N 2 2 342.443 0.923 20 30 ECEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000517229753 270007897 /nfs/dbraw/zinc/00/78/97/270007897.db2.gz KXJMVVBLUPAZKL-UHFFFAOYSA-N 3 2 341.459 0.544 20 30 ECEDLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cc(C#N)n(C)c1 ZINC000375960584 267054148 /nfs/dbraw/zinc/05/41/48/267054148.db2.gz JJIJIOFCEKAAMC-CRAIPNDOSA-N 2 2 331.464 0.733 20 30 ECEDLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cc(C#N)n(C)c1 ZINC000375960584 267054150 /nfs/dbraw/zinc/05/41/50/267054150.db2.gz JJIJIOFCEKAAMC-CRAIPNDOSA-N 2 2 331.464 0.733 20 30 ECEDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000375960584 267054153 /nfs/dbraw/zinc/05/41/53/267054153.db2.gz JJIJIOFCEKAAMC-CRAIPNDOSA-N 2 2 331.464 0.733 20 30 ECEDLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000375960584 267054156 /nfs/dbraw/zinc/05/41/56/267054156.db2.gz JJIJIOFCEKAAMC-CRAIPNDOSA-N 2 2 331.464 0.733 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378430500 279172079 /nfs/dbraw/zinc/17/20/79/279172079.db2.gz CEGAVLYDZHFQIW-QGZVFWFLSA-N 2 2 335.496 0.708 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378430500 279172082 /nfs/dbraw/zinc/17/20/82/279172082.db2.gz CEGAVLYDZHFQIW-QGZVFWFLSA-N 2 2 335.496 0.708 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCN(c2cccs2)CC1 ZINC000158899604 436851455 /nfs/dbraw/zinc/85/14/55/436851455.db2.gz TYPHJGVLQYABAE-AWEZNQCLSA-N 2 2 337.493 0.776 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCN(c2cccs2)CC1 ZINC000158899604 436851461 /nfs/dbraw/zinc/85/14/61/436851461.db2.gz TYPHJGVLQYABAE-AWEZNQCLSA-N 2 2 337.493 0.776 20 30 ECEDLP C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261958215 436898058 /nfs/dbraw/zinc/89/80/58/436898058.db2.gz JJKGFDSXXDYBMT-OCCSQVGLSA-N 2 2 330.440 0.979 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000296549946 436992932 /nfs/dbraw/zinc/99/29/32/436992932.db2.gz JQIGUHRGVBYFSJ-UHFFFAOYSA-N 2 2 345.447 0.673 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000296549946 436992936 /nfs/dbraw/zinc/99/29/36/436992936.db2.gz JQIGUHRGVBYFSJ-UHFFFAOYSA-N 2 2 345.447 0.673 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)[C@H]2CCc3ccccc32)CC1 ZINC000304755490 437160646 /nfs/dbraw/zinc/16/06/46/437160646.db2.gz ZIIQPOPLFVCOJL-IBGZPJMESA-N 2 2 341.455 0.746 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)[C@H]2CCc3ccccc32)CC1 ZINC000304755490 437160652 /nfs/dbraw/zinc/16/06/52/437160652.db2.gz ZIIQPOPLFVCOJL-IBGZPJMESA-N 2 2 341.455 0.746 20 30 ECEDLP NS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329712347 437404390 /nfs/dbraw/zinc/40/43/90/437404390.db2.gz PXSBSPQUUVBWLO-CQSZACIVSA-N 2 2 344.481 0.323 20 30 ECEDLP NS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329712347 437404394 /nfs/dbraw/zinc/40/43/94/437404394.db2.gz PXSBSPQUUVBWLO-CQSZACIVSA-N 2 2 344.481 0.323 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCCC2(CCC[N@@H+](CC(=O)NCC=C)C2)C1 ZINC000289481149 437415551 /nfs/dbraw/zinc/41/55/51/437415551.db2.gz OCDVNUBBCCGYHC-UHFFFAOYSA-N 2 2 348.491 0.769 20 30 ECEDLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000330266722 437477481 /nfs/dbraw/zinc/47/74/81/437477481.db2.gz QBENQSZJFWJIAN-ZBFHGGJFSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000330266722 437477482 /nfs/dbraw/zinc/47/74/82/437477482.db2.gz QBENQSZJFWJIAN-ZBFHGGJFSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330266722 437477484 /nfs/dbraw/zinc/47/74/84/437477484.db2.gz QBENQSZJFWJIAN-ZBFHGGJFSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330266722 437477487 /nfs/dbraw/zinc/47/74/87/437477487.db2.gz QBENQSZJFWJIAN-ZBFHGGJFSA-N 2 2 340.468 0.416 20 30 ECEDLP C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000344076246 437728206 /nfs/dbraw/zinc/72/82/06/437728206.db2.gz SRJRRAYKKJPKTL-UHFFFAOYSA-N 2 2 330.432 0.781 20 30 ECEDLP C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000344076246 437728208 /nfs/dbraw/zinc/72/82/08/437728208.db2.gz SRJRRAYKKJPKTL-UHFFFAOYSA-N 2 2 330.432 0.781 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000370478675 437791346 /nfs/dbraw/zinc/79/13/46/437791346.db2.gz WDLLTWDNHFAADU-HOTGVXAUSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000370478675 437791349 /nfs/dbraw/zinc/79/13/49/437791349.db2.gz WDLLTWDNHFAADU-HOTGVXAUSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000370478675 437791353 /nfs/dbraw/zinc/79/13/53/437791353.db2.gz WDLLTWDNHFAADU-HOTGVXAUSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000370478675 437791356 /nfs/dbraw/zinc/79/13/56/437791356.db2.gz WDLLTWDNHFAADU-HOTGVXAUSA-N 2 2 334.464 0.000 20 30 ECEDLP C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370354 438079680 /nfs/dbraw/zinc/07/96/80/438079680.db2.gz QPVXEBFTSKRWAP-IEBWSBKVSA-N 2 2 347.507 0.895 20 30 ECEDLP CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372370354 438079685 /nfs/dbraw/zinc/07/96/85/438079685.db2.gz QPVXEBFTSKRWAP-IEBWSBKVSA-N 2 2 347.507 0.895 20 30 ECEDLP CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372370354 438079690 /nfs/dbraw/zinc/07/96/90/438079690.db2.gz QPVXEBFTSKRWAP-IEBWSBKVSA-N 2 2 347.507 0.895 20 30 ECEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378602189 438408146 /nfs/dbraw/zinc/40/81/46/438408146.db2.gz WQFXBYLHUZFPHK-SFHVURJKSA-N 2 2 349.479 0.279 20 30 ECEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000378602189 438408151 /nfs/dbraw/zinc/40/81/51/438408151.db2.gz WQFXBYLHUZFPHK-SFHVURJKSA-N 2 2 349.479 0.279 20 30 ECEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000602875840 439151251 /nfs/dbraw/zinc/15/12/51/439151251.db2.gz AUMDJJIGNHWABD-WMZOPIPTSA-N 2 2 333.432 0.686 20 30 ECEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000602875840 439151255 /nfs/dbraw/zinc/15/12/55/439151255.db2.gz AUMDJJIGNHWABD-WMZOPIPTSA-N 2 2 333.432 0.686 20 30 ECEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000602895018 439154447 /nfs/dbraw/zinc/15/44/47/439154447.db2.gz ZZYOUFLWIDJNHQ-AEFFLSMTSA-N 2 2 333.432 0.686 20 30 ECEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000602895018 439154449 /nfs/dbraw/zinc/15/44/49/439154449.db2.gz ZZYOUFLWIDJNHQ-AEFFLSMTSA-N 2 2 333.432 0.686 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000490695625 439287386 /nfs/dbraw/zinc/28/73/86/439287386.db2.gz FBHBSWNESVASGW-IYBDPMFKSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000490695625 439287393 /nfs/dbraw/zinc/28/73/93/439287393.db2.gz FBHBSWNESVASGW-IYBDPMFKSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000490695625 439287398 /nfs/dbraw/zinc/28/73/98/439287398.db2.gz FBHBSWNESVASGW-IYBDPMFKSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000490695625 439287403 /nfs/dbraw/zinc/28/74/03/439287403.db2.gz FBHBSWNESVASGW-IYBDPMFKSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CONC(=[NH2+])COc2ccccc2)CC1 ZINC000490779220 439297536 /nfs/dbraw/zinc/29/75/36/439297536.db2.gz SXINCKJWHBQRAN-UHFFFAOYSA-N 2 2 330.388 0.341 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)Cc3ncccn3)C2)CC1 ZINC000491274696 439361149 /nfs/dbraw/zinc/36/11/49/439361149.db2.gz AJGVSFNKUNIJSI-QGZVFWFLSA-N 2 2 341.459 0.855 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ncccn3)C2)CC1 ZINC000491274696 439361153 /nfs/dbraw/zinc/36/11/53/439361153.db2.gz AJGVSFNKUNIJSI-QGZVFWFLSA-N 2 2 341.459 0.855 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@](CO)(c3ccccc3)C2)CC1 ZINC000491658200 439421298 /nfs/dbraw/zinc/42/12/98/439421298.db2.gz BAKHKHQXDJNPQY-FQEVSTJZSA-N 2 2 341.455 0.400 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)CC1 ZINC000491658200 439421304 /nfs/dbraw/zinc/42/13/04/439421304.db2.gz BAKHKHQXDJNPQY-FQEVSTJZSA-N 2 2 341.455 0.400 20 30 ECEDLP CN(CCC(=O)N(CCC#N)CC[NH+]1CCOCC1)c1cc[nH+]cc1 ZINC000540929156 439551371 /nfs/dbraw/zinc/55/13/71/439551371.db2.gz GBWZAIXARVCEBW-UHFFFAOYSA-N 2 2 345.447 0.982 20 30 ECEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000594440670 439560189 /nfs/dbraw/zinc/56/01/89/439560189.db2.gz HNJWRVUYWPYYTQ-OAHLLOKOSA-N 2 2 331.420 0.946 20 30 ECEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000595109161 439654928 /nfs/dbraw/zinc/65/49/28/439654928.db2.gz VANLHCWWOYYZOU-ZDUSSCGKSA-N 2 2 346.435 0.280 20 30 ECEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000595109161 439654931 /nfs/dbraw/zinc/65/49/31/439654931.db2.gz VANLHCWWOYYZOU-ZDUSSCGKSA-N 2 2 346.435 0.280 20 30 ECEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000600769320 439701646 /nfs/dbraw/zinc/70/16/46/439701646.db2.gz MJJINQXHBQXEJC-HOTGVXAUSA-N 2 2 329.404 0.871 20 30 ECEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000600769320 439701651 /nfs/dbraw/zinc/70/16/51/439701651.db2.gz MJJINQXHBQXEJC-HOTGVXAUSA-N 2 2 329.404 0.871 20 30 ECEDLP Cc1cc(NCC2(N3CCOCC3)CC[NH+](C)CC2)c(C#N)c[nH+]1 ZINC000578998886 322882747 /nfs/dbraw/zinc/88/27/47/322882747.db2.gz OVHPXGKKYJEQAR-UHFFFAOYSA-N 2 2 329.448 0.892 20 30 ECEDLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619613038 546347979 /nfs/dbraw/zinc/34/79/79/546347979.db2.gz MDMMEXCWGMXQFK-ZFWWWQNUSA-N 2 2 345.451 0.338 20 30 ECEDLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619613038 546347981 /nfs/dbraw/zinc/34/79/81/546347981.db2.gz MDMMEXCWGMXQFK-ZFWWWQNUSA-N 2 2 345.451 0.338 20 30 ECEDLP C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640774 548364801 /nfs/dbraw/zinc/36/48/01/548364801.db2.gz ZOTCUDPORXKOIF-OAHLLOKOSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640774 548364806 /nfs/dbraw/zinc/36/48/06/548364806.db2.gz ZOTCUDPORXKOIF-OAHLLOKOSA-N 2 2 334.464 0.472 20 30 ECEDLP CN(C(=O)CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000725793053 578133754 /nfs/dbraw/zinc/13/37/54/578133754.db2.gz UMCCKCRNKKNNRH-UHFFFAOYSA-N 2 2 346.431 0.777 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000768067693 579121230 /nfs/dbraw/zinc/12/12/30/579121230.db2.gz ILJDKAZBLFJVEC-HFCFLWKCSA-N 2 2 349.475 0.470 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000768067693 579121231 /nfs/dbraw/zinc/12/12/31/579121231.db2.gz ILJDKAZBLFJVEC-HFCFLWKCSA-N 2 2 349.475 0.470 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000764152353 579571665 /nfs/dbraw/zinc/57/16/65/579571665.db2.gz QPCISYXSBSDIQZ-INIZCTEOSA-N 2 2 336.480 0.649 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000900585317 586647842 /nfs/dbraw/zinc/64/78/42/586647842.db2.gz MOPPGZUEJRIAIO-DLBZAZTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000900585317 586647844 /nfs/dbraw/zinc/64/78/44/586647844.db2.gz MOPPGZUEJRIAIO-DLBZAZTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900585317 586647845 /nfs/dbraw/zinc/64/78/45/586647845.db2.gz MOPPGZUEJRIAIO-DLBZAZTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900585317 586647847 /nfs/dbraw/zinc/64/78/47/586647847.db2.gz MOPPGZUEJRIAIO-DLBZAZTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCN(CN1C[C@H](c2c[nH+]cn2C)CC1=O)C1CC[NH+](C)CC1 ZINC000902538911 586741213 /nfs/dbraw/zinc/74/12/13/586741213.db2.gz LEUFGEQIRSWZIE-OAHLLOKOSA-N 2 2 329.448 0.723 20 30 ECEDLP C[NH+]=C(NCCN1CCOCC1)NCC[NH+]1Cc2ccccc2C1 ZINC000849063703 589319223 /nfs/dbraw/zinc/31/92/23/589319223.db2.gz MXOAXFJLYJETAU-UHFFFAOYSA-N 2 2 331.464 0.499 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](COC)c2cccc(OC)c2)CC1 ZINC000852446664 589497139 /nfs/dbraw/zinc/49/71/39/589497139.db2.gz QDJPDUKNCYFCIB-SFHVURJKSA-N 2 2 345.443 0.750 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000852562339 589500983 /nfs/dbraw/zinc/50/09/83/589500983.db2.gz GXMPIJXITHZFCZ-ZWKOTPCHSA-N 2 2 343.475 0.498 20 30 ECEDLP CCN1CC[C@@H](O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000853657181 589553944 /nfs/dbraw/zinc/55/39/44/589553944.db2.gz APUUCGSJPMTABN-MRXNPFEDSA-N 2 2 346.431 0.777 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000867984608 589866841 /nfs/dbraw/zinc/86/68/41/589866841.db2.gz MLGUWPIMKUNXEO-AEFFLSMTSA-N 2 2 340.427 0.678 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000884178292 590763893 /nfs/dbraw/zinc/76/38/93/590763893.db2.gz IAYFHDKKNXHCFX-GJZGRUSLSA-N 2 2 337.395 0.991 20 30 ECEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C2 ZINC000884211018 590777022 /nfs/dbraw/zinc/77/70/22/590777022.db2.gz QINIIYHJWAHFHJ-VIHIWDAPSA-N 2 2 346.475 0.839 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000884343978 590810868 /nfs/dbraw/zinc/81/08/68/590810868.db2.gz RUMSQEVBEWIOOT-AEGPPILISA-N 2 2 335.379 0.525 20 30 ECEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000104160744 591052876 /nfs/dbraw/zinc/05/28/76/591052876.db2.gz BVHLFZKTIKELKK-IRXDYDNUSA-N 3 2 338.544 0.647 20 30 ECEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000104160744 591052877 /nfs/dbraw/zinc/05/28/77/591052877.db2.gz BVHLFZKTIKELKK-IRXDYDNUSA-N 3 2 338.544 0.647 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000924035183 608725450 /nfs/dbraw/zinc/72/54/50/608725450.db2.gz IDMUANWYWZQLIU-JYJNAYRXSA-N 2 2 336.505 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000924035183 608725454 /nfs/dbraw/zinc/72/54/54/608725454.db2.gz IDMUANWYWZQLIU-JYJNAYRXSA-N 2 2 336.505 0.963 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000924035183 608725457 /nfs/dbraw/zinc/72/54/57/608725457.db2.gz IDMUANWYWZQLIU-JYJNAYRXSA-N 2 2 336.505 0.963 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000924035183 608725459 /nfs/dbraw/zinc/72/54/59/608725459.db2.gz IDMUANWYWZQLIU-JYJNAYRXSA-N 2 2 336.505 0.963 20 30 ECEDLP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC000941464772 610333508 /nfs/dbraw/zinc/33/35/08/610333508.db2.gz KVZISNGJLVCBRU-MRXNPFEDSA-N 2 2 343.475 0.850 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC000941532004 610363548 /nfs/dbraw/zinc/36/35/48/610363548.db2.gz PCWLDYHVYIJIJZ-GOSISDBHSA-N 2 2 346.519 0.960 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941532004 610363551 /nfs/dbraw/zinc/36/35/51/610363551.db2.gz PCWLDYHVYIJIJZ-GOSISDBHSA-N 2 2 346.519 0.960 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000940961940 610467726 /nfs/dbraw/zinc/46/77/26/610467726.db2.gz GIDMVGZXOLBTIR-OAHLLOKOSA-N 2 2 343.431 0.015 20 30 ECEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000949366225 611953434 /nfs/dbraw/zinc/95/34/34/611953434.db2.gz YZMSEOJSRWONOG-QGZVFWFLSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000949366225 611953436 /nfs/dbraw/zinc/95/34/36/611953436.db2.gz YZMSEOJSRWONOG-QGZVFWFLSA-N 2 2 331.460 0.655 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000971950287 735429655 /nfs/dbraw/zinc/42/96/55/735429655.db2.gz SMQNYRNEQVVOJN-JKSUJKDBSA-N 2 2 345.447 0.511 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000971950287 735429656 /nfs/dbraw/zinc/42/96/56/735429656.db2.gz SMQNYRNEQVVOJN-JKSUJKDBSA-N 2 2 345.447 0.511 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](Cc3ccnn3C)C2)CC1 ZINC000970923599 734092236 /nfs/dbraw/zinc/09/22/36/734092236.db2.gz GRCGYFGOFUYZMT-OAHLLOKOSA-N 2 2 343.475 0.702 20 30 ECEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167422037 734211305 /nfs/dbraw/zinc/21/13/05/734211305.db2.gz GYXACIRTOKHZJP-ZDUSSCGKSA-N 2 2 346.435 0.104 20 30 ECEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167422037 734211308 /nfs/dbraw/zinc/21/13/08/734211308.db2.gz GYXACIRTOKHZJP-ZDUSSCGKSA-N 2 2 346.435 0.104 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972520761 736550064 /nfs/dbraw/zinc/55/00/64/736550064.db2.gz SXAQLSJPSPKEHV-IEBWSBKVSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972520761 736550066 /nfs/dbraw/zinc/55/00/66/736550066.db2.gz SXAQLSJPSPKEHV-IEBWSBKVSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972520761 736550067 /nfs/dbraw/zinc/55/00/67/736550067.db2.gz SXAQLSJPSPKEHV-IEBWSBKVSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972520761 736550069 /nfs/dbraw/zinc/55/00/69/736550069.db2.gz SXAQLSJPSPKEHV-IEBWSBKVSA-N 2 2 349.475 0.422 20 30 ECEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C[C@H](C)O2 ZINC001098577820 737005905 /nfs/dbraw/zinc/00/59/05/737005905.db2.gz IPEYSFWSEDNAQM-HOTGVXAUSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@H](C)O2 ZINC001098577820 737005911 /nfs/dbraw/zinc/00/59/11/737005911.db2.gz IPEYSFWSEDNAQM-HOTGVXAUSA-N 2 2 337.464 0.585 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)nn1 ZINC001105253962 741563942 /nfs/dbraw/zinc/56/39/42/741563942.db2.gz LNYSTFULFJQCNI-OAHLLOKOSA-N 2 2 336.415 0.064 20 30 ECEDLP C=CCC[NH2+]Cc1cn(C2CN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001105294782 741666199 /nfs/dbraw/zinc/66/61/99/741666199.db2.gz GLUXJJLTMLNBNC-UHFFFAOYSA-N 2 2 329.408 0.614 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCOC1 ZINC001029342248 745758557 /nfs/dbraw/zinc/75/85/57/745758557.db2.gz FCTKBJHGAFDIRE-FJIDUMEYSA-N 2 2 331.460 0.796 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCOC1 ZINC001029342248 745758562 /nfs/dbraw/zinc/75/85/62/745758562.db2.gz FCTKBJHGAFDIRE-FJIDUMEYSA-N 2 2 331.460 0.796 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCOC1 ZINC001029342248 745758569 /nfs/dbraw/zinc/75/85/69/745758569.db2.gz FCTKBJHGAFDIRE-FJIDUMEYSA-N 2 2 331.460 0.796 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCOC1 ZINC001029342248 745758574 /nfs/dbraw/zinc/75/85/74/745758574.db2.gz FCTKBJHGAFDIRE-FJIDUMEYSA-N 2 2 331.460 0.796 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CCCNC1=O ZINC001029342457 745758998 /nfs/dbraw/zinc/75/89/98/745758998.db2.gz PQINBQIGMBQDBS-TWMKSMIVSA-N 2 2 344.459 0.038 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CCCNC1=O ZINC001029342457 745759005 /nfs/dbraw/zinc/75/90/05/745759005.db2.gz PQINBQIGMBQDBS-TWMKSMIVSA-N 2 2 344.459 0.038 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCNC1=O ZINC001029342457 745759011 /nfs/dbraw/zinc/75/90/11/745759011.db2.gz PQINBQIGMBQDBS-TWMKSMIVSA-N 2 2 344.459 0.038 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCNC1=O ZINC001029342457 745759013 /nfs/dbraw/zinc/75/90/13/745759013.db2.gz PQINBQIGMBQDBS-TWMKSMIVSA-N 2 2 344.459 0.038 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361018 752064116 /nfs/dbraw/zinc/06/41/16/752064116.db2.gz NIZJPBGOXJDMGH-CQSZACIVSA-N 2 2 330.436 0.116 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361018 752064122 /nfs/dbraw/zinc/06/41/22/752064122.db2.gz NIZJPBGOXJDMGH-CQSZACIVSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ccn(C)n2)CC1 ZINC000985474989 748209305 /nfs/dbraw/zinc/20/93/05/748209305.db2.gz IZJSEOITZBKBMQ-SFHVURJKSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ccn(C)n2)CC1 ZINC000985474989 748209312 /nfs/dbraw/zinc/20/93/12/748209312.db2.gz IZJSEOITZBKBMQ-SFHVURJKSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2ccn(C)n2)CC1 ZINC000985474989 748209317 /nfs/dbraw/zinc/20/93/17/748209317.db2.gz IZJSEOITZBKBMQ-SFHVURJKSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2ccn(C)n2)CC1 ZINC000985474989 748209321 /nfs/dbraw/zinc/20/93/21/748209321.db2.gz IZJSEOITZBKBMQ-SFHVURJKSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ncccn2)C1 ZINC001029758051 748270544 /nfs/dbraw/zinc/27/05/44/748270544.db2.gz PRULYFFJRZUBHY-SJORKVTESA-N 2 2 341.459 0.855 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ncccn2)C1 ZINC001029758051 748270547 /nfs/dbraw/zinc/27/05/47/748270547.db2.gz PRULYFFJRZUBHY-SJORKVTESA-N 2 2 341.459 0.855 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2ncccn2)C1 ZINC001029758051 748270551 /nfs/dbraw/zinc/27/05/51/748270551.db2.gz PRULYFFJRZUBHY-SJORKVTESA-N 2 2 341.459 0.855 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2ncccn2)C1 ZINC001029758051 748270555 /nfs/dbraw/zinc/27/05/55/748270555.db2.gz PRULYFFJRZUBHY-SJORKVTESA-N 2 2 341.459 0.855 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cn(C)nn2)C1 ZINC001029758157 748270570 /nfs/dbraw/zinc/27/05/70/748270570.db2.gz SMUPSCWUJDZJPU-WBVHZDCISA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cn(C)nn2)C1 ZINC001029758157 748270573 /nfs/dbraw/zinc/27/05/73/748270573.db2.gz SMUPSCWUJDZJPU-WBVHZDCISA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2cn(C)nn2)C1 ZINC001029758157 748270576 /nfs/dbraw/zinc/27/05/76/748270576.db2.gz SMUPSCWUJDZJPU-WBVHZDCISA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)[nH]3)[C@H]2C)CC1 ZINC000987567684 750969833 /nfs/dbraw/zinc/96/98/33/750969833.db2.gz GBSPYKLZKVOYGC-CJNGLKHVSA-N 2 2 344.463 0.537 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C(C)(C)[NH+]3CCCC3)nn2)C1 ZINC001107190839 757440886 /nfs/dbraw/zinc/44/08/86/757440886.db2.gz DNFZBADTAUAEPT-UHFFFAOYSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+]3CCC[C@@H]3C)nn2)C1 ZINC001107209538 757687857 /nfs/dbraw/zinc/68/78/57/757687857.db2.gz TTXACILPZLPQHW-AWEZNQCLSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+]3CCC[C@@H]3C)nn2)C1 ZINC001107209538 757687861 /nfs/dbraw/zinc/68/78/61/757687861.db2.gz TTXACILPZLPQHW-AWEZNQCLSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001107229040 757990031 /nfs/dbraw/zinc/99/00/31/757990031.db2.gz AAWYRVYUNDXQRR-AWEZNQCLSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107229040 757990038 /nfs/dbraw/zinc/99/00/38/757990038.db2.gz AAWYRVYUNDXQRR-AWEZNQCLSA-N 2 2 330.436 0.116 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)C1=O ZINC001049131877 758070655 /nfs/dbraw/zinc/07/06/55/758070655.db2.gz SPXFVUXUSUHTMI-ZNMIVQPWSA-N 2 2 343.431 0.129 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4[nH]cc[nH+]4)C[C@H]3C2)C1=O ZINC001049131877 758070668 /nfs/dbraw/zinc/07/06/68/758070668.db2.gz SPXFVUXUSUHTMI-ZNMIVQPWSA-N 2 2 343.431 0.129 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2csnn2)C1 ZINC001022220724 758441109 /nfs/dbraw/zinc/44/11/09/758441109.db2.gz LRWSXLWXXJQGDH-CXTNEJHOSA-N 2 2 333.461 0.934 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2csnn2)C1 ZINC001022220724 758441115 /nfs/dbraw/zinc/44/11/15/758441115.db2.gz LRWSXLWXXJQGDH-CXTNEJHOSA-N 2 2 333.461 0.934 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001049517309 758842493 /nfs/dbraw/zinc/84/24/93/758842493.db2.gz IKLIRQQRSIKXNL-RCCFBDPRSA-N 2 2 343.475 0.902 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001049517309 758842499 /nfs/dbraw/zinc/84/24/99/758842499.db2.gz IKLIRQQRSIKXNL-RCCFBDPRSA-N 2 2 343.475 0.902 20 30 ECEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001047644785 759394074 /nfs/dbraw/zinc/39/40/74/759394074.db2.gz PTTJMTHVNVEJTA-HOTGVXAUSA-N 2 2 333.432 0.872 20 30 ECEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001047644785 759394083 /nfs/dbraw/zinc/39/40/83/759394083.db2.gz PTTJMTHVNVEJTA-HOTGVXAUSA-N 2 2 333.432 0.872 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001032201438 759567654 /nfs/dbraw/zinc/56/76/54/759567654.db2.gz DGWKHSXDHREGAH-GOSISDBHSA-N 2 2 342.443 0.827 20 30 ECEDLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001032201438 759567672 /nfs/dbraw/zinc/56/76/72/759567672.db2.gz DGWKHSXDHREGAH-GOSISDBHSA-N 2 2 342.443 0.827 20 30 ECEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050471682 760323482 /nfs/dbraw/zinc/32/34/82/760323482.db2.gz BHWXUBWDKBJJFD-CQSZACIVSA-N 2 2 327.856 0.994 20 30 ECEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050471682 760323492 /nfs/dbraw/zinc/32/34/92/760323492.db2.gz BHWXUBWDKBJJFD-CQSZACIVSA-N 2 2 327.856 0.994 20 30 ECEDLP C=C(C)C[NH+]1CC(OC2CCN(C(=O)COCC[NH+](C)C)CC2)C1 ZINC001105731840 761388937 /nfs/dbraw/zinc/38/89/37/761388937.db2.gz UMOQKDHDPKKJHE-UHFFFAOYSA-N 2 2 339.480 0.833 20 30 ECEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001051160700 761585705 /nfs/dbraw/zinc/58/57/05/761585705.db2.gz UZYSDLOBWJAVAI-INIZCTEOSA-N 2 2 335.452 0.451 20 30 ECEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001051160700 761585713 /nfs/dbraw/zinc/58/57/13/761585713.db2.gz UZYSDLOBWJAVAI-INIZCTEOSA-N 2 2 335.452 0.451 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001051249463 761762015 /nfs/dbraw/zinc/76/20/15/761762015.db2.gz FVTCRNQMXFLBBI-HZPDHXFCSA-N 2 2 325.453 0.490 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001051249463 761762017 /nfs/dbraw/zinc/76/20/17/761762017.db2.gz FVTCRNQMXFLBBI-HZPDHXFCSA-N 2 2 325.453 0.490 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001051249463 761762020 /nfs/dbraw/zinc/76/20/20/761762020.db2.gz FVTCRNQMXFLBBI-HZPDHXFCSA-N 2 2 325.453 0.490 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001051249463 761762022 /nfs/dbraw/zinc/76/20/22/761762022.db2.gz FVTCRNQMXFLBBI-HZPDHXFCSA-N 2 2 325.453 0.490 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001052025432 763615512 /nfs/dbraw/zinc/61/55/12/763615512.db2.gz DIDAOYHXCSENED-QZTJIDSGSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001052025432 763615517 /nfs/dbraw/zinc/61/55/17/763615517.db2.gz DIDAOYHXCSENED-QZTJIDSGSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001052025432 763615523 /nfs/dbraw/zinc/61/55/23/763615523.db2.gz DIDAOYHXCSENED-QZTJIDSGSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001052025432 763615526 /nfs/dbraw/zinc/61/55/26/763615526.db2.gz DIDAOYHXCSENED-QZTJIDSGSA-N 2 2 332.492 0.711 20 30 ECEDLP N#CCN1CC[NH+]([C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001052041295 763666476 /nfs/dbraw/zinc/66/64/76/763666476.db2.gz YFFXNLVBYJUWSF-KRWDZBQOSA-N 2 2 345.491 0.604 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001047415221 764274157 /nfs/dbraw/zinc/27/41/57/764274157.db2.gz NXPZIAWXCIHTNG-OWSLCNJRSA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001047415221 764274161 /nfs/dbraw/zinc/27/41/61/764274161.db2.gz NXPZIAWXCIHTNG-OWSLCNJRSA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001047415221 764274164 /nfs/dbraw/zinc/27/41/64/764274164.db2.gz NXPZIAWXCIHTNG-OWSLCNJRSA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC[C@H]2CCCO2)C[C@@H]1O ZINC001047415221 764274168 /nfs/dbraw/zinc/27/41/68/764274168.db2.gz NXPZIAWXCIHTNG-OWSLCNJRSA-N 2 2 349.475 0.157 20 30 ECEDLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046036919 766730141 /nfs/dbraw/zinc/73/01/41/766730141.db2.gz PFJKFOJFWITLRO-SJORKVTESA-N 2 2 333.480 0.603 20 30 ECEDLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046036919 766730145 /nfs/dbraw/zinc/73/01/45/766730145.db2.gz PFJKFOJFWITLRO-SJORKVTESA-N 2 2 333.480 0.603 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046041014 766749933 /nfs/dbraw/zinc/74/99/33/766749933.db2.gz NEGATEYPUSVABP-SJLPKXTDSA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046041014 766749939 /nfs/dbraw/zinc/74/99/39/766749939.db2.gz NEGATEYPUSVABP-SJLPKXTDSA-N 2 2 343.475 0.850 20 30 ECEDLP C[C@H]1C[C@@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC[N@@H+]1C ZINC001046055444 766806235 /nfs/dbraw/zinc/80/62/35/766806235.db2.gz XWBKCGRZDVDHRO-YESZJQIVSA-N 2 2 333.480 0.459 20 30 ECEDLP C[C@H]1C[C@@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC[N@H+]1C ZINC001046055444 766806244 /nfs/dbraw/zinc/80/62/44/766806244.db2.gz XWBKCGRZDVDHRO-YESZJQIVSA-N 2 2 333.480 0.459 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)CO2 ZINC001053804094 766892037 /nfs/dbraw/zinc/89/20/37/766892037.db2.gz KJKBXNCLUHRIDY-OAHLLOKOSA-N 2 2 345.447 0.041 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)CO2 ZINC001053843509 766997608 /nfs/dbraw/zinc/99/76/08/766997608.db2.gz OTAAEZVNLWDMLV-MRXNPFEDSA-N 2 2 331.460 0.845 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001031742477 766998873 /nfs/dbraw/zinc/99/88/73/766998873.db2.gz GONPUQWIRKOEIN-GJZGRUSLSA-N 2 2 341.402 0.556 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO[C@H]2CC2(F)F)C1 ZINC001031742477 766998879 /nfs/dbraw/zinc/99/88/79/766998879.db2.gz GONPUQWIRKOEIN-GJZGRUSLSA-N 2 2 341.402 0.556 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)s2)C1 ZINC001018986249 770485519 /nfs/dbraw/zinc/48/55/19/770485519.db2.gz WZKRFROTLUYISG-KBPBESRZSA-N 2 2 333.461 0.635 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)s2)C1 ZINC001018986249 770485523 /nfs/dbraw/zinc/48/55/23/770485523.db2.gz WZKRFROTLUYISG-KBPBESRZSA-N 2 2 333.461 0.635 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1C ZINC001079878003 777010144 /nfs/dbraw/zinc/01/01/44/777010144.db2.gz AIYBOJSGFGIANL-ZACQAIPSSA-N 2 2 329.448 0.417 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1C ZINC001079878003 777010150 /nfs/dbraw/zinc/01/01/50/777010150.db2.gz AIYBOJSGFGIANL-ZACQAIPSSA-N 2 2 329.448 0.417 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1C ZINC001079878003 777010158 /nfs/dbraw/zinc/01/01/58/777010158.db2.gz AIYBOJSGFGIANL-ZACQAIPSSA-N 2 2 329.448 0.417 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1C ZINC001079878003 777010163 /nfs/dbraw/zinc/01/01/63/777010163.db2.gz AIYBOJSGFGIANL-ZACQAIPSSA-N 2 2 329.448 0.417 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001080031537 777268461 /nfs/dbraw/zinc/26/84/61/777268461.db2.gz CSPPHQUQBFJHCD-INIZCTEOSA-N 2 2 343.431 0.040 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)Cn2cc[nH+]c2)C1 ZINC001080031537 777268464 /nfs/dbraw/zinc/26/84/64/777268464.db2.gz CSPPHQUQBFJHCD-INIZCTEOSA-N 2 2 343.431 0.040 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102603 790613310 /nfs/dbraw/zinc/61/33/10/790613310.db2.gz SIVDYDMXDYNNDL-OAGGEKHMSA-N 2 2 332.452 0.680 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102603 790613313 /nfs/dbraw/zinc/61/33/13/790613313.db2.gz SIVDYDMXDYNNDL-OAGGEKHMSA-N 2 2 332.452 0.680 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102603 790613321 /nfs/dbraw/zinc/61/33/21/790613321.db2.gz SIVDYDMXDYNNDL-OAGGEKHMSA-N 2 2 332.452 0.680 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102603 790613328 /nfs/dbraw/zinc/61/33/28/790613328.db2.gz SIVDYDMXDYNNDL-OAGGEKHMSA-N 2 2 332.452 0.680 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](Cc3cnon3)C2)C1 ZINC001041366791 781364546 /nfs/dbraw/zinc/36/45/46/781364546.db2.gz BWVDEEQGCCSZMC-FUHWJXTLSA-N 2 2 343.431 0.592 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](Cc3cnon3)C2)C1 ZINC001041366791 781364554 /nfs/dbraw/zinc/36/45/54/781364554.db2.gz BWVDEEQGCCSZMC-FUHWJXTLSA-N 2 2 343.431 0.592 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3cnon3)C2)C1 ZINC001041366791 781364563 /nfs/dbraw/zinc/36/45/63/781364563.db2.gz BWVDEEQGCCSZMC-FUHWJXTLSA-N 2 2 343.431 0.592 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3cnon3)C2)C1 ZINC001041366791 781364571 /nfs/dbraw/zinc/36/45/71/781364571.db2.gz BWVDEEQGCCSZMC-FUHWJXTLSA-N 2 2 343.431 0.592 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077684099 781508034 /nfs/dbraw/zinc/50/80/34/781508034.db2.gz HWLNQNKIGZXQPP-HZPDHXFCSA-N 2 2 334.420 0.621 20 30 ECEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077684099 781508039 /nfs/dbraw/zinc/50/80/39/781508039.db2.gz HWLNQNKIGZXQPP-HZPDHXFCSA-N 2 2 334.420 0.621 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001070272433 783774601 /nfs/dbraw/zinc/77/46/01/783774601.db2.gz MIHUSURUYWZGAY-CFVMTHIKSA-N 2 2 341.419 0.649 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001070570248 784286697 /nfs/dbraw/zinc/28/66/97/784286697.db2.gz DFWXRZKKPGKDBC-GOEBONIOSA-N 2 2 328.420 0.777 20 30 ECEDLP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001071020651 784439819 /nfs/dbraw/zinc/43/98/19/784439819.db2.gz NSXOEHQFKIMKJE-UHFFFAOYSA-N 2 2 333.436 0.418 20 30 ECEDLP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001071020651 784439824 /nfs/dbraw/zinc/43/98/24/784439824.db2.gz NSXOEHQFKIMKJE-UHFFFAOYSA-N 2 2 333.436 0.418 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC#N ZINC001070685471 784549283 /nfs/dbraw/zinc/54/92/83/784549283.db2.gz CYDYPEXQCSMROC-HUUCEWRRSA-N 2 2 330.436 0.169 20 30 ECEDLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070689818 784557402 /nfs/dbraw/zinc/55/74/02/784557402.db2.gz QUMPMMHGFUAZTE-RRFJBIMHSA-N 2 2 330.436 0.312 20 30 ECEDLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070689818 784557408 /nfs/dbraw/zinc/55/74/08/784557408.db2.gz QUMPMMHGFUAZTE-RRFJBIMHSA-N 2 2 330.436 0.312 20 30 ECEDLP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071194437 784709413 /nfs/dbraw/zinc/70/94/13/784709413.db2.gz JGZZDCLEUPPQGC-AEFFLSMTSA-N 2 2 330.432 0.988 20 30 ECEDLP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071194437 784709417 /nfs/dbraw/zinc/70/94/17/784709417.db2.gz JGZZDCLEUPPQGC-AEFFLSMTSA-N 2 2 330.432 0.988 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C)C1=O ZINC001075040264 788783441 /nfs/dbraw/zinc/78/34/41/788783441.db2.gz XXZIXTPVQMFVRE-CWRNSKLLSA-N 2 2 345.447 0.329 20 30 ECEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959410 790241222 /nfs/dbraw/zinc/24/12/22/790241222.db2.gz UNTVHRCSVWEGEJ-OAGGEKHMSA-N 2 2 332.452 0.680 20 30 ECEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959410 790241225 /nfs/dbraw/zinc/24/12/25/790241225.db2.gz UNTVHRCSVWEGEJ-OAGGEKHMSA-N 2 2 332.452 0.680 20 30 ECEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069959410 790241232 /nfs/dbraw/zinc/24/12/32/790241232.db2.gz UNTVHRCSVWEGEJ-OAGGEKHMSA-N 2 2 332.452 0.680 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069959410 790241239 /nfs/dbraw/zinc/24/12/39/790241239.db2.gz UNTVHRCSVWEGEJ-OAGGEKHMSA-N 2 2 332.452 0.680 20 30 ECEDLP C[NH+](C)CCc1ccccc1C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001266290254 835634542 /nfs/dbraw/zinc/63/45/42/835634542.db2.gz SMGRFYBEYFEHLS-UHFFFAOYSA-N 2 2 343.475 0.662 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266358619 835766206 /nfs/dbraw/zinc/76/62/06/835766206.db2.gz FLTABJCPBAOKMR-INIZCTEOSA-N 2 2 334.464 0.473 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266358619 835766213 /nfs/dbraw/zinc/76/62/13/835766213.db2.gz FLTABJCPBAOKMR-INIZCTEOSA-N 2 2 334.464 0.473 20 30 ECEDLP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001266415494 835820802 /nfs/dbraw/zinc/82/08/02/835820802.db2.gz VXGFMSWZWSGESI-JKSUJKDBSA-N 2 2 330.432 0.580 20 30 ECEDLP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001266873809 836420751 /nfs/dbraw/zinc/42/07/51/836420751.db2.gz YTIOHVJTKKNBJC-OAHLLOKOSA-N 2 2 348.447 0.970 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001266895628 836446628 /nfs/dbraw/zinc/44/66/28/836446628.db2.gz QNKQDZMOLPMYDN-JKSUJKDBSA-N 2 2 345.447 0.239 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001266895628 836446633 /nfs/dbraw/zinc/44/66/33/836446633.db2.gz QNKQDZMOLPMYDN-JKSUJKDBSA-N 2 2 345.447 0.239 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267073618 836720442 /nfs/dbraw/zinc/72/04/42/836720442.db2.gz WBFIWKUZILJKLR-MRXNPFEDSA-N 2 2 347.463 0.746 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267232424 837038011 /nfs/dbraw/zinc/03/80/11/837038011.db2.gz HUNGNSCWFVGGFM-WBVHZDCISA-N 2 2 344.459 0.475 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267232424 837038023 /nfs/dbraw/zinc/03/80/23/837038023.db2.gz HUNGNSCWFVGGFM-WBVHZDCISA-N 2 2 344.459 0.475 20 30 ECEDLP C#CCNC(=O)C[N@H+](CCC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267315261 837191923 /nfs/dbraw/zinc/19/19/23/837191923.db2.gz HNMDBEIJTUNBBD-OAHLLOKOSA-N 2 2 345.447 0.023 20 30 ECEDLP C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267315261 837191928 /nfs/dbraw/zinc/19/19/28/837191928.db2.gz HNMDBEIJTUNBBD-OAHLLOKOSA-N 2 2 345.447 0.023 20 30 ECEDLP COCC#CC[NH+]1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267692946 838271865 /nfs/dbraw/zinc/27/18/65/838271865.db2.gz OTDWXJMOPDFOKF-INIZCTEOSA-N 2 2 330.432 0.452 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267730929 838418168 /nfs/dbraw/zinc/41/81/68/838418168.db2.gz HDSVFAFLFXZBEF-JKSUJKDBSA-N 2 2 336.480 0.742 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001267730929 838418173 /nfs/dbraw/zinc/41/81/73/838418173.db2.gz HDSVFAFLFXZBEF-JKSUJKDBSA-N 2 2 336.480 0.742 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267730929 838418175 /nfs/dbraw/zinc/41/81/75/838418175.db2.gz HDSVFAFLFXZBEF-JKSUJKDBSA-N 2 2 336.480 0.742 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001267730929 838418177 /nfs/dbraw/zinc/41/81/77/838418177.db2.gz HDSVFAFLFXZBEF-JKSUJKDBSA-N 2 2 336.480 0.742 20 30 ECEDLP C[N@H+](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000264084622 282380296 /nfs/dbraw/zinc/38/02/96/282380296.db2.gz IQTMPRWMJRVGQO-UHFFFAOYSA-N 3 2 333.480 0.745 20 30 ECEDLP C[N@@H+](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000264084622 282380298 /nfs/dbraw/zinc/38/02/98/282380298.db2.gz IQTMPRWMJRVGQO-UHFFFAOYSA-N 3 2 333.480 0.745 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000264303917 246323058 /nfs/dbraw/zinc/32/30/58/246323058.db2.gz MJPYEWXLFVOKKN-UHFFFAOYSA-N 2 2 345.447 0.499 20 30 ECEDLP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000329240885 285056965 /nfs/dbraw/zinc/05/69/65/285056965.db2.gz RIKXGXBGIQKAIQ-HRCADAONSA-N 2 2 340.468 0.416 20 30 ECEDLP COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000329240885 285056968 /nfs/dbraw/zinc/05/69/68/285056968.db2.gz RIKXGXBGIQKAIQ-HRCADAONSA-N 2 2 340.468 0.416 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789797 275718039 /nfs/dbraw/zinc/71/80/39/275718039.db2.gz RCKWNEMUODPXGX-OAHLLOKOSA-N 2 2 334.464 0.000 20 30 ECEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331439810 288114748 /nfs/dbraw/zinc/11/47/48/288114748.db2.gz XFMHHQLMXXNBQO-HIFRSBDPSA-N 2 2 347.463 0.032 20 30 ECEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331439810 288114751 /nfs/dbraw/zinc/11/47/51/288114751.db2.gz XFMHHQLMXXNBQO-HIFRSBDPSA-N 2 2 347.463 0.032 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(C(=O)NCCC)CCCCC2)CC1 ZINC000085863523 436391269 /nfs/dbraw/zinc/39/12/69/436391269.db2.gz LPXIQCARFANGCA-UHFFFAOYSA-N 2 2 348.491 0.583 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCN(c2ccc(F)cc2)CC1 ZINC000113995800 436638902 /nfs/dbraw/zinc/63/89/02/436638902.db2.gz VFGSCUNPKUMLQJ-QGZVFWFLSA-N 2 2 349.454 0.854 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCN(c2ccc(F)cc2)CC1 ZINC000113995800 436638904 /nfs/dbraw/zinc/63/89/04/436638904.db2.gz VFGSCUNPKUMLQJ-QGZVFWFLSA-N 2 2 349.454 0.854 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249547571 436823591 /nfs/dbraw/zinc/82/35/91/436823591.db2.gz GRHLMEZYELHPEC-LPHOPBHVSA-N 2 2 329.444 0.693 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249547571 436823593 /nfs/dbraw/zinc/82/35/93/436823593.db2.gz GRHLMEZYELHPEC-LPHOPBHVSA-N 2 2 329.444 0.693 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249547571 436823595 /nfs/dbraw/zinc/82/35/95/436823595.db2.gz GRHLMEZYELHPEC-LPHOPBHVSA-N 2 2 329.444 0.693 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249547571 436823597 /nfs/dbraw/zinc/82/35/97/436823597.db2.gz GRHLMEZYELHPEC-LPHOPBHVSA-N 2 2 329.444 0.693 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)NC[C@@](C)(O)c1cc(C)oc1C ZINC000262338311 436926404 /nfs/dbraw/zinc/92/64/04/436926404.db2.gz FVLXSLNRABVVKS-WMLDXEAASA-N 2 2 338.452 0.600 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)NC[C@@](C)(O)c1cc(C)oc1C ZINC000262338311 436926408 /nfs/dbraw/zinc/92/64/08/436926408.db2.gz FVLXSLNRABVVKS-WMLDXEAASA-N 2 2 338.452 0.600 20 30 ECEDLP COc1ccc(CCNC(=[NH2+])NC[C@@H]2C[N@H+](C)CCO2)cc1OC ZINC000170913286 436959759 /nfs/dbraw/zinc/95/97/59/436959759.db2.gz IZQCLYGEYDUHCW-CQSZACIVSA-N 2 2 336.436 0.481 20 30 ECEDLP COc1ccc(CCNC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCO2)cc1OC ZINC000170913286 436959763 /nfs/dbraw/zinc/95/97/63/436959763.db2.gz IZQCLYGEYDUHCW-CQSZACIVSA-N 2 2 336.436 0.481 20 30 ECEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000170912402 436961167 /nfs/dbraw/zinc/96/11/67/436961167.db2.gz LGRKRMIINWTITO-UHFFFAOYSA-N 3 2 343.435 0.394 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000173160970 437040530 /nfs/dbraw/zinc/04/05/30/437040530.db2.gz WZLHIXWERONQOZ-UHFFFAOYSA-N 2 2 343.475 0.970 20 30 ECEDLP COCC[N@H+](C)CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303973685 437157260 /nfs/dbraw/zinc/15/72/60/437157260.db2.gz HABJOLAZBXYCBW-UHFFFAOYSA-N 2 2 343.472 0.432 20 30 ECEDLP COCC[N@@H+](C)CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303973685 437157263 /nfs/dbraw/zinc/15/72/63/437157263.db2.gz HABJOLAZBXYCBW-UHFFFAOYSA-N 2 2 343.472 0.432 20 30 ECEDLP C[N@@H+]1CCO[C@@H]2CCN(C([O-])=[NH+]C[C@@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC000328847425 437272173 /nfs/dbraw/zinc/27/21/73/437272173.db2.gz AQZFLURZGCNMDP-RRFJBIMHSA-N 2 2 333.436 0.764 20 30 ECEDLP C[N@H+]1CCO[C@@H]2CCN(C([O-])=[NH+]C[C@@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC000328847425 437272188 /nfs/dbraw/zinc/27/21/88/437272188.db2.gz AQZFLURZGCNMDP-RRFJBIMHSA-N 2 2 333.436 0.764 20 30 ECEDLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC000328847425 437272193 /nfs/dbraw/zinc/27/21/93/437272193.db2.gz AQZFLURZGCNMDP-RRFJBIMHSA-N 2 2 333.436 0.764 20 30 ECEDLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC000328847425 437272196 /nfs/dbraw/zinc/27/21/96/437272196.db2.gz AQZFLURZGCNMDP-RRFJBIMHSA-N 2 2 333.436 0.764 20 30 ECEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)[C@H](C)C1 ZINC000329306720 437350455 /nfs/dbraw/zinc/35/04/55/437350455.db2.gz YVKYPMWFZSFFDH-KGLIPLIRSA-N 2 2 330.498 0.336 20 30 ECEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)[C@H](C)C1 ZINC000329306720 437350462 /nfs/dbraw/zinc/35/04/62/437350462.db2.gz YVKYPMWFZSFFDH-KGLIPLIRSA-N 2 2 330.498 0.336 20 30 ECEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000329412914 437364918 /nfs/dbraw/zinc/36/49/18/437364918.db2.gz CEQJXODKPGRIBT-HZPDHXFCSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000329412914 437364924 /nfs/dbraw/zinc/36/49/24/437364924.db2.gz CEQJXODKPGRIBT-HZPDHXFCSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000329412914 437364930 /nfs/dbraw/zinc/36/49/30/437364930.db2.gz CEQJXODKPGRIBT-HZPDHXFCSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000329412914 437364938 /nfs/dbraw/zinc/36/49/38/437364938.db2.gz CEQJXODKPGRIBT-HZPDHXFCSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000329412914 437364942 /nfs/dbraw/zinc/36/49/42/437364942.db2.gz CEQJXODKPGRIBT-HZPDHXFCSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC000329412914 437364946 /nfs/dbraw/zinc/36/49/46/437364946.db2.gz CEQJXODKPGRIBT-HZPDHXFCSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC000329412914 437364951 /nfs/dbraw/zinc/36/49/51/437364951.db2.gz CEQJXODKPGRIBT-HZPDHXFCSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000329976279 437440030 /nfs/dbraw/zinc/44/00/30/437440030.db2.gz FFZQNKUWKITKKR-AWEZNQCLSA-N 2 2 328.457 0.056 20 30 ECEDLP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000329976279 437440034 /nfs/dbraw/zinc/44/00/34/437440034.db2.gz FFZQNKUWKITKKR-AWEZNQCLSA-N 2 2 328.457 0.056 20 30 ECEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000330184287 437465601 /nfs/dbraw/zinc/46/56/01/437465601.db2.gz IKTDOEXRHKZSQT-CQSZACIVSA-N 2 2 333.436 0.909 20 30 ECEDLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000331296419 437734907 /nfs/dbraw/zinc/73/49/07/437734907.db2.gz NBDCAUBMHQPLBL-GPANFISMSA-N 2 2 325.501 0.856 20 30 ECEDLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000331296419 437734909 /nfs/dbraw/zinc/73/49/09/437734909.db2.gz NBDCAUBMHQPLBL-GPANFISMSA-N 2 2 325.501 0.856 20 30 ECEDLP CN(C)C(=O)[C@@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000351635243 438309920 /nfs/dbraw/zinc/30/99/20/438309920.db2.gz UZQACYIOEBOKAL-HOTGVXAUSA-N 2 2 334.464 0.095 20 30 ECEDLP CN(C)C(=O)[C@@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000351635243 438309927 /nfs/dbraw/zinc/30/99/27/438309927.db2.gz UZQACYIOEBOKAL-HOTGVXAUSA-N 2 2 334.464 0.095 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369359606 438459516 /nfs/dbraw/zinc/45/95/16/438459516.db2.gz RVMQCAKNCWQDOM-HUUCEWRRSA-N 2 2 337.468 0.099 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369359606 438459522 /nfs/dbraw/zinc/45/95/22/438459522.db2.gz RVMQCAKNCWQDOM-HUUCEWRRSA-N 2 2 337.468 0.099 20 30 ECEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000577474802 438843911 /nfs/dbraw/zinc/84/39/11/438843911.db2.gz LGMFFIKJQDBLDN-IRXDYDNUSA-N 3 2 337.512 0.969 20 30 ECEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000577474802 438843917 /nfs/dbraw/zinc/84/39/17/438843917.db2.gz LGMFFIKJQDBLDN-IRXDYDNUSA-N 3 2 337.512 0.969 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC)c2c(C)nn(C)c2C)CC1 ZINC000490950429 439317260 /nfs/dbraw/zinc/31/72/60/439317260.db2.gz QOVBQJIJUGIHRH-MRXNPFEDSA-N 2 2 331.464 0.855 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000491645608 439420196 /nfs/dbraw/zinc/42/01/96/439420196.db2.gz PHSRIMCNBKPLOX-GOSISDBHSA-N 2 2 329.444 0.299 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000491645608 439420198 /nfs/dbraw/zinc/42/01/98/439420198.db2.gz PHSRIMCNBKPLOX-GOSISDBHSA-N 2 2 329.444 0.299 20 30 ECEDLP C[N@@H+]1CCN(C(=O)Nc2ncccc2OCCCC#N)[C@@H](C[NH3+])C1 ZINC000571863076 439536447 /nfs/dbraw/zinc/53/64/47/439536447.db2.gz REXPVJCDLOJMOH-ZDUSSCGKSA-N 2 2 332.408 0.871 20 30 ECEDLP C[N@H+]1CCN(C(=O)Nc2ncccc2OCCCC#N)[C@@H](C[NH3+])C1 ZINC000571863076 439536451 /nfs/dbraw/zinc/53/64/51/439536451.db2.gz REXPVJCDLOJMOH-ZDUSSCGKSA-N 2 2 332.408 0.871 20 30 ECEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000600769322 439701107 /nfs/dbraw/zinc/70/11/07/439701107.db2.gz MJJINQXHBQXEJC-JKSUJKDBSA-N 2 2 329.404 0.871 20 30 ECEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000600769322 439701110 /nfs/dbraw/zinc/70/11/10/439701110.db2.gz MJJINQXHBQXEJC-JKSUJKDBSA-N 2 2 329.404 0.871 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)CCOCC1 ZINC000600741206 439697147 /nfs/dbraw/zinc/69/71/47/439697147.db2.gz CLBYYYNEKPKHIG-CVEARBPZSA-N 2 2 325.453 0.494 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)CCOCC1 ZINC000600741206 439697151 /nfs/dbraw/zinc/69/71/51/439697151.db2.gz CLBYYYNEKPKHIG-CVEARBPZSA-N 2 2 325.453 0.494 20 30 ECEDLP C=CCCn1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)nn1 ZINC000653577356 440212762 /nfs/dbraw/zinc/21/27/62/440212762.db2.gz MPPFVFMWWNSYCD-UHFFFAOYSA-N 2 2 334.468 0.744 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1COCCO1 ZINC000329128575 546014544 /nfs/dbraw/zinc/01/45/44/546014544.db2.gz VMAFXCNJBDEYCA-OAHLLOKOSA-N 2 2 328.457 0.274 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1COCCO1 ZINC000329128575 546014551 /nfs/dbraw/zinc/01/45/51/546014551.db2.gz VMAFXCNJBDEYCA-OAHLLOKOSA-N 2 2 328.457 0.274 20 30 ECEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCn3cc(C)[nH+]c3C2)CC1 ZINC000672357496 548314386 /nfs/dbraw/zinc/31/43/86/548314386.db2.gz RPQVETZXFPWNNH-UHFFFAOYSA-N 2 2 345.447 0.690 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000748809712 579329019 /nfs/dbraw/zinc/32/90/19/579329019.db2.gz HNMAGTQEXMXITG-UHFFFAOYSA-N 2 2 345.443 0.913 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000748809712 579329020 /nfs/dbraw/zinc/32/90/20/579329020.db2.gz HNMAGTQEXMXITG-UHFFFAOYSA-N 2 2 345.443 0.913 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000730274138 578304217 /nfs/dbraw/zinc/30/42/17/578304217.db2.gz LEOJWGDDRDKKRG-INIZCTEOSA-N 2 2 328.416 0.632 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000730274138 578304218 /nfs/dbraw/zinc/30/42/18/578304218.db2.gz LEOJWGDDRDKKRG-INIZCTEOSA-N 2 2 328.416 0.632 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)CC1 ZINC000766977102 579098912 /nfs/dbraw/zinc/09/89/12/579098912.db2.gz PXOQBNZVCMEDEX-FUHWJXTLSA-N 2 2 329.444 0.518 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)CC1 ZINC000773697341 579232356 /nfs/dbraw/zinc/23/23/56/579232356.db2.gz VMIJCBBUDZXOAA-QZTJIDSGSA-N 2 2 333.476 0.902 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)CC1 ZINC000773697341 579232358 /nfs/dbraw/zinc/23/23/58/579232358.db2.gz VMIJCBBUDZXOAA-QZTJIDSGSA-N 2 2 333.476 0.902 20 30 ECEDLP C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000834485518 588902250 /nfs/dbraw/zinc/90/22/50/588902250.db2.gz XVJOQHBONIJTBC-CPUCHLNUSA-N 2 2 345.422 0.564 20 30 ECEDLP C#CCC[NH+]1CCN(c2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000840255351 587237232 /nfs/dbraw/zinc/23/72/32/587237232.db2.gz DLGJVEYBWXFXCO-HZPDHXFCSA-N 2 2 329.448 0.829 20 30 ECEDLP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)cc2)CC1 ZINC000844195696 589102325 /nfs/dbraw/zinc/10/23/25/589102325.db2.gz YCBVOZGFPGKZCI-IAGOWNOFSA-N 2 2 327.432 0.275 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](CO)Cc2ccccc2)CC1 ZINC000852289629 589454277 /nfs/dbraw/zinc/45/42/77/589454277.db2.gz XPJIAPOTZLXERI-SFHVURJKSA-N 2 2 329.444 0.299 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](CO)Cc2ccccc2)CC1 ZINC000852289629 589454278 /nfs/dbraw/zinc/45/42/78/589454278.db2.gz XPJIAPOTZLXERI-SFHVURJKSA-N 2 2 329.444 0.299 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000852562338 589501197 /nfs/dbraw/zinc/50/11/97/589501197.db2.gz GXMPIJXITHZFCZ-ROUUACIJSA-N 2 2 343.475 0.498 20 30 ECEDLP O=C(C#CC1CC[NH2+]CC1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000852856577 589518308 /nfs/dbraw/zinc/51/83/08/589518308.db2.gz AWMVARVOWSBXEC-UHFFFAOYSA-N 2 2 328.416 0.537 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867504618 589795160 /nfs/dbraw/zinc/79/51/60/589795160.db2.gz RQKSZZUIAZXQKL-UHFFFAOYSA-N 2 2 342.440 0.859 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867504618 589795163 /nfs/dbraw/zinc/79/51/63/589795163.db2.gz RQKSZZUIAZXQKL-UHFFFAOYSA-N 2 2 342.440 0.859 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000863497731 590018083 /nfs/dbraw/zinc/01/80/83/590018083.db2.gz DJDSLZAFSDEZPG-ROUUACIJSA-N 2 2 342.443 0.496 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000863497731 590018086 /nfs/dbraw/zinc/01/80/86/590018086.db2.gz DJDSLZAFSDEZPG-ROUUACIJSA-N 2 2 342.443 0.496 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000863497731 590018089 /nfs/dbraw/zinc/01/80/89/590018089.db2.gz DJDSLZAFSDEZPG-ROUUACIJSA-N 2 2 342.443 0.496 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccncc2)CCO1 ZINC000863497731 590018092 /nfs/dbraw/zinc/01/80/92/590018092.db2.gz DJDSLZAFSDEZPG-ROUUACIJSA-N 2 2 342.443 0.496 20 30 ECEDLP C=CCS(=O)(=O)CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872206305 590104159 /nfs/dbraw/zinc/10/41/59/590104159.db2.gz QSNSECJLBLPZDH-QGZVFWFLSA-N 2 2 338.473 0.814 20 30 ECEDLP C=CCS(=O)(=O)CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872206305 590104161 /nfs/dbraw/zinc/10/41/61/590104161.db2.gz QSNSECJLBLPZDH-QGZVFWFLSA-N 2 2 338.473 0.814 20 30 ECEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591115 590326714 /nfs/dbraw/zinc/32/67/14/590326714.db2.gz JTMVJLXQCZLWIR-SFHVURJKSA-N 2 2 335.496 0.753 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591616 590326944 /nfs/dbraw/zinc/32/69/44/590326944.db2.gz QKAQPBRBHRCOPD-AWEZNQCLSA-N 2 2 337.468 0.099 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCCC[NH+]1CCOCC1 ZINC000876725134 590404229 /nfs/dbraw/zinc/40/42/29/590404229.db2.gz NCZGEMUTHKCEFB-SFHVURJKSA-N 2 2 342.443 0.974 20 30 ECEDLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876877767 590421822 /nfs/dbraw/zinc/42/18/22/590421822.db2.gz HMHBTDXTQROVPI-QGZVFWFLSA-N 2 2 328.416 0.536 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000884198741 590771021 /nfs/dbraw/zinc/77/10/21/590771021.db2.gz FPMMBPUVVPPBNF-SJORKVTESA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000884198741 590771024 /nfs/dbraw/zinc/77/10/24/590771024.db2.gz FPMMBPUVVPPBNF-SJORKVTESA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884198741 590771025 /nfs/dbraw/zinc/77/10/25/590771025.db2.gz FPMMBPUVVPPBNF-SJORKVTESA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884198741 590771027 /nfs/dbraw/zinc/77/10/27/590771027.db2.gz FPMMBPUVVPPBNF-SJORKVTESA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ncccn3)C2)CC1 ZINC000886680387 590869977 /nfs/dbraw/zinc/86/99/77/590869977.db2.gz CQGVBIHBWXAJLD-MRXNPFEDSA-N 2 2 327.432 0.433 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ncccn3)C2)CC1 ZINC000886680387 590869982 /nfs/dbraw/zinc/86/99/82/590869982.db2.gz CQGVBIHBWXAJLD-MRXNPFEDSA-N 2 2 327.432 0.433 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)[C@@H](C)C2)CC1 ZINC000948069379 611407466 /nfs/dbraw/zinc/40/74/66/611407466.db2.gz GWYBUUZIPZPRMO-HOCLYGCPSA-N 2 2 345.447 0.884 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)[C@@H](C)C2)CC1 ZINC000948069379 611407470 /nfs/dbraw/zinc/40/74/70/611407470.db2.gz GWYBUUZIPZPRMO-HOCLYGCPSA-N 2 2 345.447 0.884 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456017 610318434 /nfs/dbraw/zinc/31/84/34/610318434.db2.gz KJGMHIIUUOKPEP-HKUYNNGSSA-N 2 2 344.503 0.855 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456017 610318435 /nfs/dbraw/zinc/31/84/35/610318435.db2.gz KJGMHIIUUOKPEP-HKUYNNGSSA-N 2 2 344.503 0.855 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c[nH+]cn4c3C)CC2)C1 ZINC000941466775 610328014 /nfs/dbraw/zinc/32/80/14/610328014.db2.gz VUEQAQNLBWMCKG-UHFFFAOYSA-N 2 2 337.427 0.718 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)c3ccccc3C[NH+](C)C)CC2)C1 ZINC000941674488 610447805 /nfs/dbraw/zinc/44/78/05/610447805.db2.gz DCFPKKKZZZMYPN-UHFFFAOYSA-N 2 2 340.471 0.823 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408486 610722386 /nfs/dbraw/zinc/72/23/86/610722386.db2.gz IHDUBXPILLEVRZ-SFHVURJKSA-N 2 2 330.476 0.180 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCc3[nH+]ccn3C1)CCO2 ZINC000949127095 611863776 /nfs/dbraw/zinc/86/37/76/611863776.db2.gz UAHXKHPUXKKMTK-INIZCTEOSA-N 2 2 342.443 0.772 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nonc1C ZINC001024987462 738461669 /nfs/dbraw/zinc/46/16/69/738461669.db2.gz LNFTWAUBEPIQAS-WBVHZDCISA-N 2 2 345.447 0.946 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nonc1C ZINC001024987462 738461670 /nfs/dbraw/zinc/46/16/70/738461670.db2.gz LNFTWAUBEPIQAS-WBVHZDCISA-N 2 2 345.447 0.946 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cn(C)nc2C)C1 ZINC000969868042 732463203 /nfs/dbraw/zinc/46/32/03/732463203.db2.gz HDXJNIAZHNXJHG-KSSFIOAISA-N 2 2 343.475 0.763 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cn(C)nc2C)C1 ZINC000969868042 732463204 /nfs/dbraw/zinc/46/32/04/732463204.db2.gz HDXJNIAZHNXJHG-KSSFIOAISA-N 2 2 343.475 0.763 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000970766751 733924117 /nfs/dbraw/zinc/92/41/17/733924117.db2.gz YKFOXBSPLFNKPR-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000970766751 733924119 /nfs/dbraw/zinc/92/41/19/733924119.db2.gz YKFOXBSPLFNKPR-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1=O ZINC001167429013 734226154 /nfs/dbraw/zinc/22/61/54/734226154.db2.gz OTEOGSLXKOUKQV-HUUCEWRRSA-N 2 2 333.436 0.717 20 30 ECEDLP C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971271043 734414734 /nfs/dbraw/zinc/41/47/34/734414734.db2.gz JNPIWEYQPFNYCH-CJNGLKHVSA-N 2 2 348.472 0.983 20 30 ECEDLP C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971271043 734414737 /nfs/dbraw/zinc/41/47/37/734414737.db2.gz JNPIWEYQPFNYCH-CJNGLKHVSA-N 2 2 348.472 0.983 20 30 ECEDLP C[NH+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971271043 734414739 /nfs/dbraw/zinc/41/47/39/734414739.db2.gz JNPIWEYQPFNYCH-CJNGLKHVSA-N 2 2 348.472 0.983 20 30 ECEDLP C[NH+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971271043 734414742 /nfs/dbraw/zinc/41/47/42/734414742.db2.gz JNPIWEYQPFNYCH-CJNGLKHVSA-N 2 2 348.472 0.983 20 30 ECEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001098569371 736075154 /nfs/dbraw/zinc/07/51/54/736075154.db2.gz IDTCHQAPMSCEDG-SFHVURJKSA-N 2 2 349.475 0.016 20 30 ECEDLP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001098569371 736075159 /nfs/dbraw/zinc/07/51/59/736075159.db2.gz IDTCHQAPMSCEDG-SFHVURJKSA-N 2 2 349.475 0.016 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001024285925 737873048 /nfs/dbraw/zinc/87/30/48/737873048.db2.gz OYLDPUGYQPKRGW-JKSUJKDBSA-N 2 2 345.447 0.498 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001006473207 751425101 /nfs/dbraw/zinc/42/51/01/751425101.db2.gz QSWPQJNAEBKQQR-INIZCTEOSA-N 2 2 345.447 0.593 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001020417398 751570886 /nfs/dbraw/zinc/57/08/86/751570886.db2.gz IZJNWJUCNXYTSZ-QAETUUGQSA-N 2 2 348.491 0.530 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001020417398 751570889 /nfs/dbraw/zinc/57/08/89/751570889.db2.gz IZJNWJUCNXYTSZ-QAETUUGQSA-N 2 2 348.491 0.530 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cnon2)CC1 ZINC001026508616 741495836 /nfs/dbraw/zinc/49/58/36/741495836.db2.gz ARUDYXWQGSVDQS-XUJLQICISA-N 2 2 331.420 0.684 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cnon2)CC1 ZINC001026508616 741495840 /nfs/dbraw/zinc/49/58/40/741495840.db2.gz ARUDYXWQGSVDQS-XUJLQICISA-N 2 2 331.420 0.684 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001105259864 741586356 /nfs/dbraw/zinc/58/63/56/741586356.db2.gz PNCLGKGYKGSPHA-UHFFFAOYSA-N 2 2 330.436 0.259 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001105259864 741586357 /nfs/dbraw/zinc/58/63/57/741586357.db2.gz PNCLGKGYKGSPHA-UHFFFAOYSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)CC3([NH+](C)C)CCCC3)C2)nn1 ZINC001105292635 741655759 /nfs/dbraw/zinc/65/57/59/741655759.db2.gz YNDUZJAZRDJDKN-UHFFFAOYSA-N 2 2 344.463 0.649 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001027170467 742962016 /nfs/dbraw/zinc/96/20/16/742962016.db2.gz KKCNMRDFVGMALI-HOCLYGCPSA-N 2 2 345.447 0.188 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ncnn3C)C2)CC1 ZINC001029003868 743161097 /nfs/dbraw/zinc/16/10/97/743161097.db2.gz QGWLKILRSJRGHV-HNNXBMFYSA-N 2 2 344.463 0.098 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3ncnn3C)C2)CC1 ZINC001029003868 743161104 /nfs/dbraw/zinc/16/11/04/743161104.db2.gz QGWLKILRSJRGHV-HNNXBMFYSA-N 2 2 344.463 0.098 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC000999389712 744670411 /nfs/dbraw/zinc/67/04/11/744670411.db2.gz AXQURXSWAPKILY-CABCVRRESA-N 2 2 345.447 0.810 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC000999389712 744670413 /nfs/dbraw/zinc/67/04/13/744670413.db2.gz AXQURXSWAPKILY-CABCVRRESA-N 2 2 345.447 0.810 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC000999834708 744929964 /nfs/dbraw/zinc/92/99/64/744929964.db2.gz DNBVIQJIKSDZQM-HZPDHXFCSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001098696948 745212546 /nfs/dbraw/zinc/21/25/46/745212546.db2.gz AFLQWZLSSNIELK-HNNXBMFYSA-N 2 2 329.408 0.614 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2cncn2C)CC1 ZINC001000790320 745766914 /nfs/dbraw/zinc/76/69/14/745766914.db2.gz IHPFWHUITSQYQA-SFHVURJKSA-N 2 2 341.459 0.766 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2cncn2C)CC1 ZINC001000790320 745766919 /nfs/dbraw/zinc/76/69/19/745766919.db2.gz IHPFWHUITSQYQA-SFHVURJKSA-N 2 2 341.459 0.766 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](Cc2cncn2C)CC1 ZINC001000790320 745766922 /nfs/dbraw/zinc/76/69/22/745766922.db2.gz IHPFWHUITSQYQA-SFHVURJKSA-N 2 2 341.459 0.766 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](Cc2cncn2C)CC1 ZINC001000790320 745766928 /nfs/dbraw/zinc/76/69/28/745766928.db2.gz IHPFWHUITSQYQA-SFHVURJKSA-N 2 2 341.459 0.766 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001000792698 745771103 /nfs/dbraw/zinc/77/11/03/745771103.db2.gz BWVWZSBRYJMVHR-HUUCEWRRSA-N 2 2 345.447 0.628 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000985830842 749198625 /nfs/dbraw/zinc/19/86/25/749198625.db2.gz CUAVMKXBJCHRMM-UHFFFAOYSA-N 2 2 349.479 0.150 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001029877803 749330883 /nfs/dbraw/zinc/33/08/83/749330883.db2.gz WCXRYEZIMWDGFN-LSDHHAIUSA-N 2 2 345.447 0.519 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001029877803 749330887 /nfs/dbraw/zinc/33/08/87/749330887.db2.gz WCXRYEZIMWDGFN-LSDHHAIUSA-N 2 2 345.447 0.519 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1=O ZINC000981953151 751326502 /nfs/dbraw/zinc/32/65/02/751326502.db2.gz HAVJQVLAJREWAN-DLBZAZTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1=O ZINC000981953151 751326505 /nfs/dbraw/zinc/32/65/05/751326505.db2.gz HAVJQVLAJREWAN-DLBZAZTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1=O ZINC000981953151 751326509 /nfs/dbraw/zinc/32/65/09/751326509.db2.gz HAVJQVLAJREWAN-DLBZAZTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1=O ZINC000981953151 751326514 /nfs/dbraw/zinc/32/65/14/751326514.db2.gz HAVJQVLAJREWAN-DLBZAZTESA-N 2 2 348.491 0.792 20 30 ECEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083368227 753703961 /nfs/dbraw/zinc/70/39/61/753703961.db2.gz HBNUMYXOMZJDEZ-IKGGRYGDSA-N 2 2 328.416 0.314 20 30 ECEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083368227 753703964 /nfs/dbraw/zinc/70/39/64/753703964.db2.gz HBNUMYXOMZJDEZ-IKGGRYGDSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083368227 753703972 /nfs/dbraw/zinc/70/39/72/753703972.db2.gz HBNUMYXOMZJDEZ-IKGGRYGDSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083368227 753703981 /nfs/dbraw/zinc/70/39/81/753703981.db2.gz HBNUMYXOMZJDEZ-IKGGRYGDSA-N 2 2 328.416 0.314 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)nn1 ZINC001105377168 754500332 /nfs/dbraw/zinc/50/03/32/754500332.db2.gz RXVZDCDKUAWFJD-KRWDZBQOSA-N 2 2 344.463 0.649 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001105377168 754500334 /nfs/dbraw/zinc/50/03/34/754500334.db2.gz RXVZDCDKUAWFJD-KRWDZBQOSA-N 2 2 344.463 0.649 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)nn1 ZINC001105377270 754520025 /nfs/dbraw/zinc/52/00/25/754520025.db2.gz XAFIQQLGCYKMCB-GJZGRUSLSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028712011 754793922 /nfs/dbraw/zinc/79/39/22/754793922.db2.gz JFJRKWLVVOYOII-MSOLQXFVSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028712011 754793926 /nfs/dbraw/zinc/79/39/26/754793926.db2.gz JFJRKWLVVOYOII-MSOLQXFVSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001028712011 754793930 /nfs/dbraw/zinc/79/39/30/754793930.db2.gz JFJRKWLVVOYOII-MSOLQXFVSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001028712011 754793933 /nfs/dbraw/zinc/79/39/33/754793933.db2.gz JFJRKWLVVOYOII-MSOLQXFVSA-N 2 2 333.476 0.949 20 30 ECEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001088762923 755596186 /nfs/dbraw/zinc/59/61/86/755596186.db2.gz COXJUZQTQKMRTH-NCOADZHNSA-N 2 2 337.464 0.631 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001088762923 755596188 /nfs/dbraw/zinc/59/61/88/755596188.db2.gz COXJUZQTQKMRTH-NCOADZHNSA-N 2 2 337.464 0.631 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428017 756125470 /nfs/dbraw/zinc/12/54/70/756125470.db2.gz OLKDHPQFODTMJE-IAGOWNOFSA-N 2 2 328.416 0.579 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428017 756125473 /nfs/dbraw/zinc/12/54/73/756125473.db2.gz OLKDHPQFODTMJE-IAGOWNOFSA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428017 756125479 /nfs/dbraw/zinc/12/54/79/756125479.db2.gz OLKDHPQFODTMJE-IAGOWNOFSA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428017 756125483 /nfs/dbraw/zinc/12/54/83/756125483.db2.gz OLKDHPQFODTMJE-IAGOWNOFSA-N 2 2 328.416 0.579 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[N@H+]3CCC[C@@H]3C)nn2)C1 ZINC001107209039 757683148 /nfs/dbraw/zinc/68/31/48/757683148.db2.gz DJWQVKXQBMJKBS-AWEZNQCLSA-N 2 2 332.452 0.811 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[N@@H+]3CCC[C@@H]3C)nn2)C1 ZINC001107209039 757683150 /nfs/dbraw/zinc/68/31/50/757683150.db2.gz DJWQVKXQBMJKBS-AWEZNQCLSA-N 2 2 332.452 0.811 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@H]1O ZINC001077159266 758377354 /nfs/dbraw/zinc/37/73/54/758377354.db2.gz WBKDVIOBDAVBAC-FGTMMUONSA-N 2 2 345.487 0.826 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@H]1O ZINC001077159266 758377364 /nfs/dbraw/zinc/37/73/64/758377364.db2.gz WBKDVIOBDAVBAC-FGTMMUONSA-N 2 2 345.487 0.826 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC3(CCC3)C2)C[C@H]1O ZINC001077159266 758377374 /nfs/dbraw/zinc/37/73/74/758377374.db2.gz WBKDVIOBDAVBAC-FGTMMUONSA-N 2 2 345.487 0.826 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC3(CCC3)C2)C[C@H]1O ZINC001077159266 758377384 /nfs/dbraw/zinc/37/73/84/758377384.db2.gz WBKDVIOBDAVBAC-FGTMMUONSA-N 2 2 345.487 0.826 20 30 ECEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077394824 758985491 /nfs/dbraw/zinc/98/54/91/758985491.db2.gz GLDNQVPQPPOXJS-IAGOWNOFSA-N 2 2 339.399 0.425 20 30 ECEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077394824 758985496 /nfs/dbraw/zinc/98/54/96/758985496.db2.gz GLDNQVPQPPOXJS-IAGOWNOFSA-N 2 2 339.399 0.425 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1=O ZINC001127292737 767884335 /nfs/dbraw/zinc/88/43/35/767884335.db2.gz KZNWXARXWOLQMN-HNNXBMFYSA-N 2 2 341.415 0.749 20 30 ECEDLP N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)cc1 ZINC001051884575 763212136 /nfs/dbraw/zinc/21/21/36/763212136.db2.gz QKISLOHQMOSTGN-INIZCTEOSA-N 2 2 339.399 0.841 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@]2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001046901628 763348017 /nfs/dbraw/zinc/34/80/17/763348017.db2.gz VDMMTACZSSSYNX-KBXCAEBGSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922774 763349439 /nfs/dbraw/zinc/34/94/39/763349439.db2.gz MIBBJRFIRLQYLO-BPLDGKMQSA-N 2 2 345.447 0.083 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001052025433 763616098 /nfs/dbraw/zinc/61/60/98/763616098.db2.gz DIDAOYHXCSENED-ROUUACIJSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001052025433 763616104 /nfs/dbraw/zinc/61/61/04/763616104.db2.gz DIDAOYHXCSENED-ROUUACIJSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001052025433 763616111 /nfs/dbraw/zinc/61/61/11/763616111.db2.gz DIDAOYHXCSENED-ROUUACIJSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001052025433 763616113 /nfs/dbraw/zinc/61/61/13/763616113.db2.gz DIDAOYHXCSENED-ROUUACIJSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031062 763630874 /nfs/dbraw/zinc/63/08/74/763630874.db2.gz DGBOICIXNMEKLQ-CEXWTWQISA-N 2 2 346.519 0.959 20 30 ECEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031062 763630878 /nfs/dbraw/zinc/63/08/78/763630878.db2.gz DGBOICIXNMEKLQ-CEXWTWQISA-N 2 2 346.519 0.959 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031403 763632085 /nfs/dbraw/zinc/63/20/85/763632085.db2.gz NBZMXWCHGZYDQO-CEXWTWQISA-N 2 2 346.519 0.959 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031403 763632090 /nfs/dbraw/zinc/63/20/90/763632090.db2.gz NBZMXWCHGZYDQO-CEXWTWQISA-N 2 2 346.519 0.959 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001052035236 763640317 /nfs/dbraw/zinc/64/03/17/763640317.db2.gz FGYQJDAKWLSISG-QZTJIDSGSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001052035236 763640320 /nfs/dbraw/zinc/64/03/20/763640320.db2.gz FGYQJDAKWLSISG-QZTJIDSGSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001052035236 763640324 /nfs/dbraw/zinc/64/03/24/763640324.db2.gz FGYQJDAKWLSISG-QZTJIDSGSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001052035236 763640329 /nfs/dbraw/zinc/64/03/29/763640329.db2.gz FGYQJDAKWLSISG-QZTJIDSGSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052037138 763653379 /nfs/dbraw/zinc/65/33/79/763653379.db2.gz DSGPRTQQHIZVTR-ROUUACIJSA-N 2 2 334.508 0.814 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001052068662 763763031 /nfs/dbraw/zinc/76/30/31/763763031.db2.gz MBAUWIQWTDMABE-RBUKOAKNSA-N 2 2 346.519 0.960 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001052068662 763763037 /nfs/dbraw/zinc/76/30/37/763763037.db2.gz MBAUWIQWTDMABE-RBUKOAKNSA-N 2 2 346.519 0.960 20 30 ECEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071539 763772414 /nfs/dbraw/zinc/77/24/14/763772414.db2.gz VIKFTSFNYYHUGR-FHWLQOOXSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071539 763772419 /nfs/dbraw/zinc/77/24/19/763772419.db2.gz VIKFTSFNYYHUGR-FHWLQOOXSA-N 2 2 346.519 0.959 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106334054 768161937 /nfs/dbraw/zinc/16/19/37/768161937.db2.gz VOPSUVYVPOFGOH-BRWVUGGUSA-N 2 2 344.459 0.779 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001047432716 764329246 /nfs/dbraw/zinc/32/92/46/764329246.db2.gz ZMTNFKTZHHTQOJ-PMPSAXMXSA-N 2 2 332.448 0.915 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001047432716 764329254 /nfs/dbraw/zinc/32/92/54/764329254.db2.gz ZMTNFKTZHHTQOJ-PMPSAXMXSA-N 2 2 332.448 0.915 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047581164 764767445 /nfs/dbraw/zinc/76/74/45/764767445.db2.gz LKUHNSIJSZDLTA-IRXDYDNUSA-N 2 2 339.399 0.408 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047581164 764767450 /nfs/dbraw/zinc/76/74/50/764767450.db2.gz LKUHNSIJSZDLTA-IRXDYDNUSA-N 2 2 339.399 0.408 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[N@@H+](C)CCC)C2)nn1 ZINC001098774907 764977880 /nfs/dbraw/zinc/97/78/80/764977880.db2.gz UNJOKDCSGSLFSF-KRWDZBQOSA-N 2 2 346.479 0.896 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001098774907 764977886 /nfs/dbraw/zinc/97/78/86/764977886.db2.gz UNJOKDCSGSLFSF-KRWDZBQOSA-N 2 2 346.479 0.896 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001017659206 768259333 /nfs/dbraw/zinc/25/93/33/768259333.db2.gz QHVCUONHUJMTTE-TWMKSMIVSA-N 2 2 348.491 0.789 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001017659206 768259335 /nfs/dbraw/zinc/25/93/35/768259335.db2.gz QHVCUONHUJMTTE-TWMKSMIVSA-N 2 2 348.491 0.789 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001016261270 765999333 /nfs/dbraw/zinc/99/93/33/765999333.db2.gz WGHXOTNRMSIWTF-HUUCEWRRSA-N 2 2 331.420 0.169 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001016261270 765999337 /nfs/dbraw/zinc/99/93/37/765999337.db2.gz WGHXOTNRMSIWTF-HUUCEWRRSA-N 2 2 331.420 0.169 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306521 766084098 /nfs/dbraw/zinc/08/40/98/766084098.db2.gz PPSFOMKNIBCOQH-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306521 766084104 /nfs/dbraw/zinc/08/41/04/766084104.db2.gz PPSFOMKNIBCOQH-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306521 766084112 /nfs/dbraw/zinc/08/41/12/766084112.db2.gz PPSFOMKNIBCOQH-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306521 766084119 /nfs/dbraw/zinc/08/41/19/766084119.db2.gz PPSFOMKNIBCOQH-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212253257 766488062 /nfs/dbraw/zinc/48/80/62/766488062.db2.gz APOLCHLWHVFQPJ-IXDOHACOSA-N 2 2 337.464 0.324 20 30 ECEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212253257 766488069 /nfs/dbraw/zinc/48/80/69/766488069.db2.gz APOLCHLWHVFQPJ-IXDOHACOSA-N 2 2 337.464 0.324 20 30 ECEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212253257 766488083 /nfs/dbraw/zinc/48/80/83/766488083.db2.gz APOLCHLWHVFQPJ-IXDOHACOSA-N 2 2 337.464 0.324 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC3(C[NH+](CCOC)C3)O2)CC1 ZINC001053700382 766619900 /nfs/dbraw/zinc/61/99/00/766619900.db2.gz SWVGBENTMBUSBV-KRWDZBQOSA-N 2 2 349.475 0.328 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046028406 766691166 /nfs/dbraw/zinc/69/11/66/766691166.db2.gz BHQXRJUIXUBDCI-SJORKVTESA-N 2 2 333.480 0.601 20 30 ECEDLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046028406 766691170 /nfs/dbraw/zinc/69/11/70/766691170.db2.gz BHQXRJUIXUBDCI-SJORKVTESA-N 2 2 333.480 0.601 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001016669853 766697734 /nfs/dbraw/zinc/69/77/34/766697734.db2.gz DLFGIJPZPUSWFM-GPANFISMSA-N 2 2 343.431 0.086 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001016669853 766697737 /nfs/dbraw/zinc/69/77/37/766697737.db2.gz DLFGIJPZPUSWFM-GPANFISMSA-N 2 2 343.431 0.086 20 30 ECEDLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046035987 766723829 /nfs/dbraw/zinc/72/38/29/766723829.db2.gz XURLDOJUHKJHNW-ROUUACIJSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046035987 766723839 /nfs/dbraw/zinc/72/38/39/766723839.db2.gz XURLDOJUHKJHNW-ROUUACIJSA-N 2 2 347.507 0.706 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046046804 766776362 /nfs/dbraw/zinc/77/63/62/766776362.db2.gz DOXAPGUFXPBCDX-MRXNPFEDSA-N 2 2 331.464 0.757 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046046804 766776368 /nfs/dbraw/zinc/77/63/68/766776368.db2.gz DOXAPGUFXPBCDX-MRXNPFEDSA-N 2 2 331.464 0.757 20 30 ECEDLP N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001046047544 766778080 /nfs/dbraw/zinc/77/80/80/766778080.db2.gz SYLOJFUQJFIQER-MSOLQXFVSA-N 2 2 345.491 0.603 20 30 ECEDLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046056861 766813691 /nfs/dbraw/zinc/81/36/91/766813691.db2.gz VKDBJPJTBFTZGO-QZTJIDSGSA-N 2 2 347.507 0.850 20 30 ECEDLP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046056861 766813699 /nfs/dbraw/zinc/81/36/99/766813699.db2.gz VKDBJPJTBFTZGO-QZTJIDSGSA-N 2 2 347.507 0.850 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046076212 766902073 /nfs/dbraw/zinc/90/20/73/766902073.db2.gz KOUOYEWLAGCMIJ-INIZCTEOSA-N 2 2 329.448 0.204 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046076212 766902080 /nfs/dbraw/zinc/90/20/80/766902080.db2.gz KOUOYEWLAGCMIJ-INIZCTEOSA-N 2 2 329.448 0.204 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046076224 766902990 /nfs/dbraw/zinc/90/29/90/766902990.db2.gz KSXCXTOVYZUHDP-MRXNPFEDSA-N 2 2 329.448 0.204 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046076224 766902993 /nfs/dbraw/zinc/90/29/93/766902993.db2.gz KSXCXTOVYZUHDP-MRXNPFEDSA-N 2 2 329.448 0.204 20 30 ECEDLP C#CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001054036078 767635022 /nfs/dbraw/zinc/63/50/22/767635022.db2.gz BETALKLDJSOWLZ-MOPGFXCFSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001054036078 767635025 /nfs/dbraw/zinc/63/50/25/767635025.db2.gz BETALKLDJSOWLZ-MOPGFXCFSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001054036078 767635031 /nfs/dbraw/zinc/63/50/31/767635031.db2.gz BETALKLDJSOWLZ-MOPGFXCFSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001054036078 767635034 /nfs/dbraw/zinc/63/50/34/767635034.db2.gz BETALKLDJSOWLZ-MOPGFXCFSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001054036079 767635124 /nfs/dbraw/zinc/63/51/24/767635124.db2.gz BETALKLDJSOWLZ-OALUTQOASA-N 2 2 341.455 0.883 20 30 ECEDLP C#CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001054036079 767635129 /nfs/dbraw/zinc/63/51/29/767635129.db2.gz BETALKLDJSOWLZ-OALUTQOASA-N 2 2 341.455 0.883 20 30 ECEDLP C#CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001054036079 767635132 /nfs/dbraw/zinc/63/51/32/767635132.db2.gz BETALKLDJSOWLZ-OALUTQOASA-N 2 2 341.455 0.883 20 30 ECEDLP C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001054036079 767635137 /nfs/dbraw/zinc/63/51/37/767635137.db2.gz BETALKLDJSOWLZ-OALUTQOASA-N 2 2 341.455 0.883 20 30 ECEDLP C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001098789313 768559522 /nfs/dbraw/zinc/55/95/22/768559522.db2.gz AWIZTGTXXSUTBU-HNNXBMFYSA-N 2 2 329.408 0.614 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)CC)CC1 ZINC001055475735 768888808 /nfs/dbraw/zinc/88/88/08/768888808.db2.gz POSPOICZWZQHOV-INIZCTEOSA-N 2 2 334.464 0.191 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)CC)CC1 ZINC001055475735 768888821 /nfs/dbraw/zinc/88/88/21/768888821.db2.gz POSPOICZWZQHOV-INIZCTEOSA-N 2 2 334.464 0.191 20 30 ECEDLP C=CC(C)(C)C(=O)NCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001055608092 769246769 /nfs/dbraw/zinc/24/67/69/769246769.db2.gz MSWMTMSJSOJIPP-UHFFFAOYSA-N 2 2 347.463 0.792 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001018663520 769732597 /nfs/dbraw/zinc/73/25/97/769732597.db2.gz FHPCIIBFFFJDLP-IRXDYDNUSA-N 2 2 346.406 0.718 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001018663520 769732602 /nfs/dbraw/zinc/73/26/02/769732602.db2.gz FHPCIIBFFFJDLP-IRXDYDNUSA-N 2 2 346.406 0.718 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001018663890 769734135 /nfs/dbraw/zinc/73/41/35/769734135.db2.gz SHLIUYSKUKMYPZ-WFASDCNBSA-N 2 2 334.445 0.641 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001018663890 769734141 /nfs/dbraw/zinc/73/41/41/769734141.db2.gz SHLIUYSKUKMYPZ-WFASDCNBSA-N 2 2 334.445 0.641 20 30 ECEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C#N)C2)O1 ZINC001019032433 770608859 /nfs/dbraw/zinc/60/88/59/770608859.db2.gz XBITXLDOXPJRMK-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C#N)C2)O1 ZINC001019032433 770608864 /nfs/dbraw/zinc/60/88/64/770608864.db2.gz XBITXLDOXPJRMK-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001070221989 783689612 /nfs/dbraw/zinc/68/96/12/783689612.db2.gz AWPVONJKJWUWNY-CVEARBPZSA-N 2 2 337.387 0.996 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001070971527 784274773 /nfs/dbraw/zinc/27/47/73/784274773.db2.gz DJHNLTWNLAPTSE-MRXNPFEDSA-N 2 2 336.480 0.697 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001070971527 784274776 /nfs/dbraw/zinc/27/47/76/784274776.db2.gz DJHNLTWNLAPTSE-MRXNPFEDSA-N 2 2 336.480 0.697 20 30 ECEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001070971527 784274779 /nfs/dbraw/zinc/27/47/79/784274779.db2.gz DJHNLTWNLAPTSE-MRXNPFEDSA-N 2 2 336.480 0.697 20 30 ECEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001070971527 784274783 /nfs/dbraw/zinc/27/47/83/784274783.db2.gz DJHNLTWNLAPTSE-MRXNPFEDSA-N 2 2 336.480 0.697 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@H]1NCC#N ZINC001070657893 784511017 /nfs/dbraw/zinc/51/10/17/784511017.db2.gz QVJGKNKLLPQBQI-BZUAXINKSA-N 2 2 344.463 0.702 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1NCC#N ZINC001070657893 784511025 /nfs/dbraw/zinc/51/10/25/784511025.db2.gz QVJGKNKLLPQBQI-BZUAXINKSA-N 2 2 344.463 0.702 20 30 ECEDLP C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C(=O)C1 ZINC001071276818 784920100 /nfs/dbraw/zinc/92/01/00/784920100.db2.gz BVEHWWBHTDIBKI-QGZVFWFLSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C(=O)C1 ZINC001071276818 784920106 /nfs/dbraw/zinc/92/01/06/784920106.db2.gz BVEHWWBHTDIBKI-QGZVFWFLSA-N 2 2 346.475 0.241 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073748556 787121690 /nfs/dbraw/zinc/12/16/90/787121690.db2.gz GYQGQHLHMNBPHG-AEFFLSMTSA-N 2 2 344.459 0.984 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073748556 787121694 /nfs/dbraw/zinc/12/16/94/787121694.db2.gz GYQGQHLHMNBPHG-AEFFLSMTSA-N 2 2 344.459 0.984 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](Cc2cnon2)C3)CC1 ZINC001073457226 789864682 /nfs/dbraw/zinc/86/46/82/789864682.db2.gz HBAIJQVDDCEUSJ-UHFFFAOYSA-N 2 2 343.431 0.449 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](Cc2cnon2)C3)CC1 ZINC001073457226 789864686 /nfs/dbraw/zinc/86/46/86/789864686.db2.gz HBAIJQVDDCEUSJ-UHFFFAOYSA-N 2 2 343.431 0.449 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC(=O)N(C)C(C)C ZINC001266393839 835801194 /nfs/dbraw/zinc/80/11/94/835801194.db2.gz AGAMQRLDQXFEDF-INIZCTEOSA-N 2 2 336.480 0.389 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC(=O)N(C)C(C)C ZINC001266393839 835801202 /nfs/dbraw/zinc/80/12/02/835801202.db2.gz AGAMQRLDQXFEDF-INIZCTEOSA-N 2 2 336.480 0.389 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC(=O)N(C)C(C)C ZINC001266393839 835801210 /nfs/dbraw/zinc/80/12/10/835801210.db2.gz AGAMQRLDQXFEDF-INIZCTEOSA-N 2 2 336.480 0.389 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC(=O)N(C)C(C)C ZINC001266393839 835801220 /nfs/dbraw/zinc/80/12/20/835801220.db2.gz AGAMQRLDQXFEDF-INIZCTEOSA-N 2 2 336.480 0.389 20 30 ECEDLP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)NCC#N)C1 ZINC001266477689 835878700 /nfs/dbraw/zinc/87/87/00/835878700.db2.gz UAZAZVZEUTZYRN-JKSUJKDBSA-N 2 2 349.479 0.329 20 30 ECEDLP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)NCC#N)C1 ZINC001266477689 835878703 /nfs/dbraw/zinc/87/87/03/835878703.db2.gz UAZAZVZEUTZYRN-JKSUJKDBSA-N 2 2 349.479 0.329 20 30 ECEDLP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)C1 ZINC001266477689 835878707 /nfs/dbraw/zinc/87/87/07/835878707.db2.gz UAZAZVZEUTZYRN-JKSUJKDBSA-N 2 2 349.479 0.329 20 30 ECEDLP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)C1 ZINC001266477689 835878711 /nfs/dbraw/zinc/87/87/11/835878711.db2.gz UAZAZVZEUTZYRN-JKSUJKDBSA-N 2 2 349.479 0.329 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)Cc1cnn(C)c1 ZINC001266562544 835991889 /nfs/dbraw/zinc/99/18/89/835991889.db2.gz FYYFUZQBWKHEHG-KRWDZBQOSA-N 2 2 331.464 0.846 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)Cc1cnn(C)c1 ZINC001266562544 835991898 /nfs/dbraw/zinc/99/18/98/835991898.db2.gz FYYFUZQBWKHEHG-KRWDZBQOSA-N 2 2 331.464 0.846 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)Cc1cnn(C)c1 ZINC001266562544 835991907 /nfs/dbraw/zinc/99/19/07/835991907.db2.gz FYYFUZQBWKHEHG-KRWDZBQOSA-N 2 2 331.464 0.846 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)Cc1cnn(C)c1 ZINC001266562544 835991912 /nfs/dbraw/zinc/99/19/12/835991912.db2.gz FYYFUZQBWKHEHG-KRWDZBQOSA-N 2 2 331.464 0.846 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266721602 836198724 /nfs/dbraw/zinc/19/87/24/836198724.db2.gz YCRBUZDKQGPUDY-OKILXGFUSA-N 2 2 333.436 0.614 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267026704 836647099 /nfs/dbraw/zinc/64/70/99/836647099.db2.gz MJMHUYCQYKSHOI-HNNXBMFYSA-N 2 2 331.420 0.274 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267211709 837000662 /nfs/dbraw/zinc/00/06/62/837000662.db2.gz SEMLXGMGSQFLBV-INIZCTEOSA-N 2 2 338.496 0.943 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267211709 837000663 /nfs/dbraw/zinc/00/06/63/837000663.db2.gz SEMLXGMGSQFLBV-INIZCTEOSA-N 2 2 338.496 0.943 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267211709 837000676 /nfs/dbraw/zinc/00/06/76/837000676.db2.gz SEMLXGMGSQFLBV-INIZCTEOSA-N 2 2 338.496 0.943 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267211709 837000687 /nfs/dbraw/zinc/00/06/87/837000687.db2.gz SEMLXGMGSQFLBV-INIZCTEOSA-N 2 2 338.496 0.943 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267697118 838289916 /nfs/dbraw/zinc/28/99/16/838289916.db2.gz OVPVMCAVJNOLBU-UONOGXRCSA-N 2 2 333.436 0.423 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267697118 838289924 /nfs/dbraw/zinc/28/99/24/838289924.db2.gz OVPVMCAVJNOLBU-UONOGXRCSA-N 2 2 333.436 0.423 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267768674 838508973 /nfs/dbraw/zinc/50/89/73/838508973.db2.gz QNDKZWUTXXYYPU-HOTGVXAUSA-N 2 2 348.491 0.531 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267768674 838508977 /nfs/dbraw/zinc/50/89/77/838508977.db2.gz QNDKZWUTXXYYPU-HOTGVXAUSA-N 2 2 348.491 0.531 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001268048267 839220257 /nfs/dbraw/zinc/22/02/57/839220257.db2.gz POXFYUHMHNQJBX-HNNXBMFYSA-N 2 2 345.447 0.498 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001268063262 839248211 /nfs/dbraw/zinc/24/82/11/839248211.db2.gz LWKZAJQCHAUKIS-CYBMUJFWSA-N 2 2 343.431 0.995 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001268068647 839260601 /nfs/dbraw/zinc/26/06/01/839260601.db2.gz NQOJQRNPSUITIN-ZFWWWQNUSA-N 2 2 344.463 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001268068647 839260614 /nfs/dbraw/zinc/26/06/14/839260614.db2.gz NQOJQRNPSUITIN-ZFWWWQNUSA-N 2 2 344.463 0.716 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)CC1 ZINC000491043286 420609937 /nfs/dbraw/zinc/60/99/37/420609937.db2.gz AFEOLPMRBWBCCQ-OAHLLOKOSA-N 2 2 342.447 0.016 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)CC1 ZINC000491043286 420609941 /nfs/dbraw/zinc/60/99/41/420609941.db2.gz AFEOLPMRBWBCCQ-OAHLLOKOSA-N 2 2 342.447 0.016 20 30 ECEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)cc1 ZINC000376269360 268076674 /nfs/dbraw/zinc/07/66/74/268076674.db2.gz HVRMOQKPMXYAEJ-SFHVURJKSA-N 2 2 342.443 0.971 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109790111 436625689 /nfs/dbraw/zinc/62/56/89/436625689.db2.gz GGFYORDADBDTOC-OAHLLOKOSA-N 2 2 336.480 0.553 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000057152959 436605285 /nfs/dbraw/zinc/60/52/85/436605285.db2.gz SHKBRZIDJZAFBV-HNNXBMFYSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000112904100 436634564 /nfs/dbraw/zinc/63/45/64/436634564.db2.gz YDVKYIJHGHFFAT-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000112904100 436634566 /nfs/dbraw/zinc/63/45/66/436634566.db2.gz YDVKYIJHGHFFAT-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000112904100 436634569 /nfs/dbraw/zinc/63/45/69/436634569.db2.gz YDVKYIJHGHFFAT-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126450986 436788008 /nfs/dbraw/zinc/78/80/08/436788008.db2.gz OKJZJUHWIGJPPK-INIZCTEOSA-N 2 2 337.512 0.952 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126450986 436788011 /nfs/dbraw/zinc/78/80/11/436788011.db2.gz OKJZJUHWIGJPPK-INIZCTEOSA-N 2 2 337.512 0.952 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126450986 436788013 /nfs/dbraw/zinc/78/80/13/436788013.db2.gz OKJZJUHWIGJPPK-INIZCTEOSA-N 2 2 337.512 0.952 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126450986 436788014 /nfs/dbraw/zinc/78/80/14/436788014.db2.gz OKJZJUHWIGJPPK-INIZCTEOSA-N 2 2 337.512 0.952 20 30 ECEDLP C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@H]1C[N@H+](C)CCO1 ZINC000162743208 436912898 /nfs/dbraw/zinc/91/28/98/436912898.db2.gz IHDARRCVOLTSJI-ZDUSSCGKSA-N 2 2 325.482 0.798 20 30 ECEDLP C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@H]1C[N@@H+](C)CCO1 ZINC000162743208 436912904 /nfs/dbraw/zinc/91/29/04/436912904.db2.gz IHDARRCVOLTSJI-ZDUSSCGKSA-N 2 2 325.482 0.798 20 30 ECEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000162613284 436909474 /nfs/dbraw/zinc/90/94/74/436909474.db2.gz ITCYBWNXZPLIKU-MSOLQXFVSA-N 2 2 342.443 0.830 20 30 ECEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000162613284 436909476 /nfs/dbraw/zinc/90/94/76/436909476.db2.gz ITCYBWNXZPLIKU-MSOLQXFVSA-N 2 2 342.443 0.830 20 30 ECEDLP CN(C)c1nc(N)nc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000267002560 437278413 /nfs/dbraw/zinc/27/84/13/437278413.db2.gz HYSDXBYRLNPOGM-UHFFFAOYSA-N 2 2 344.423 0.419 20 30 ECEDLP CC(=O)N1CC[NH+](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000328993114 437298239 /nfs/dbraw/zinc/29/82/39/437298239.db2.gz FXGVXYOLHOAYNT-CQSZACIVSA-N 2 2 326.441 0.075 20 30 ECEDLP C[NH+]1CCN(C(=O)CCNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000329912850 437430596 /nfs/dbraw/zinc/43/05/96/437430596.db2.gz WYRNHUCNISOHHQ-UHFFFAOYSA-N 2 2 326.441 0.218 20 30 ECEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330306671 437481160 /nfs/dbraw/zinc/48/11/60/437481160.db2.gz ROZWTXOJRFCZLV-ZDUSSCGKSA-N 2 2 332.408 0.858 20 30 ECEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330306671 437481163 /nfs/dbraw/zinc/48/11/63/437481163.db2.gz ROZWTXOJRFCZLV-ZDUSSCGKSA-N 2 2 332.408 0.858 20 30 ECEDLP C=CCNC(=O)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339666309 437487665 /nfs/dbraw/zinc/48/76/65/437487665.db2.gz UWGJCUPGIGNMBN-YIONKMFJSA-N 2 2 338.452 0.572 20 30 ECEDLP C=CCNC(=O)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339666309 437487666 /nfs/dbraw/zinc/48/76/66/437487666.db2.gz UWGJCUPGIGNMBN-YIONKMFJSA-N 2 2 338.452 0.572 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339666309 437487669 /nfs/dbraw/zinc/48/76/69/437487669.db2.gz UWGJCUPGIGNMBN-YIONKMFJSA-N 2 2 338.452 0.572 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339666309 437487670 /nfs/dbraw/zinc/48/76/70/437487670.db2.gz UWGJCUPGIGNMBN-YIONKMFJSA-N 2 2 338.452 0.572 20 30 ECEDLP C[C@]1(C(N)=O)CCCC[NH+]1CC#CC[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000367464996 438211782 /nfs/dbraw/zinc/21/17/82/438211782.db2.gz XCUYRJFRJQDHSV-QZTJIDSGSA-N 2 2 334.464 0.450 20 30 ECEDLP C[C@]1(C(N)=O)CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000367464996 438211784 /nfs/dbraw/zinc/21/17/84/438211784.db2.gz XCUYRJFRJQDHSV-QZTJIDSGSA-N 2 2 334.464 0.450 20 30 ECEDLP CC1(C#N)CCC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000449220023 438686449 /nfs/dbraw/zinc/68/64/49/438686449.db2.gz BZMAKKJTCDCGJJ-PQUAAJSLSA-N 2 2 334.464 0.982 20 30 ECEDLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592150460 439167420 /nfs/dbraw/zinc/16/74/20/439167420.db2.gz CXRAQABRKQMKPF-SJLPKXTDSA-N 2 2 330.432 0.756 20 30 ECEDLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592150460 439167423 /nfs/dbraw/zinc/16/74/23/439167423.db2.gz CXRAQABRKQMKPF-SJLPKXTDSA-N 2 2 330.432 0.756 20 30 ECEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000602895027 439155474 /nfs/dbraw/zinc/15/54/74/439155474.db2.gz ZZYOUFLWIDJNHQ-WMZOPIPTSA-N 2 2 333.432 0.686 20 30 ECEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000602895027 439155477 /nfs/dbraw/zinc/15/54/77/439155477.db2.gz ZZYOUFLWIDJNHQ-WMZOPIPTSA-N 2 2 333.432 0.686 20 30 ECEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000602989316 439177672 /nfs/dbraw/zinc/17/76/72/439177672.db2.gz LAWYBFOXCGHQFD-MRXNPFEDSA-N 2 2 346.431 0.004 20 30 ECEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000602989316 439177677 /nfs/dbraw/zinc/17/76/77/439177677.db2.gz LAWYBFOXCGHQFD-MRXNPFEDSA-N 2 2 346.431 0.004 20 30 ECEDLP C#CCn1ccc(C[N@H+](CCOC)CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000491099747 439329919 /nfs/dbraw/zinc/32/99/19/439329919.db2.gz CRPIOUUPYRTNQV-UHFFFAOYSA-N 2 2 347.463 0.129 20 30 ECEDLP C#CCn1ccc(C[N@@H+](CCOC)CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000491099747 439329922 /nfs/dbraw/zinc/32/99/22/439329922.db2.gz CRPIOUUPYRTNQV-UHFFFAOYSA-N 2 2 347.463 0.129 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000490741397 439293489 /nfs/dbraw/zinc/29/34/89/439293489.db2.gz RBXAZPQCCJLHFH-SFHVURJKSA-N 2 2 332.492 0.572 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000490741397 439293493 /nfs/dbraw/zinc/29/34/93/439293493.db2.gz RBXAZPQCCJLHFH-SFHVURJKSA-N 2 2 332.492 0.572 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C[NH+](CC)CC)CC2)CC1 ZINC000490778676 439299145 /nfs/dbraw/zinc/29/91/45/439299145.db2.gz ISVJQOFFWBHFFR-UHFFFAOYSA-N 3 2 334.508 0.818 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000491295282 439362931 /nfs/dbraw/zinc/36/29/31/439362931.db2.gz GIXJDBMZGDUIBY-KURKYZTESA-N 2 2 333.476 0.779 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000491295282 439362935 /nfs/dbraw/zinc/36/29/35/439362935.db2.gz GIXJDBMZGDUIBY-KURKYZTESA-N 2 2 333.476 0.779 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](C(=O)OCC)(C(C)C)C2)CC1 ZINC000491286342 439363545 /nfs/dbraw/zinc/36/35/45/439363545.db2.gz HZHNUPWZKZZSJH-IBGZPJMESA-N 2 2 349.475 0.675 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](C(=O)OCC)(C(C)C)C2)CC1 ZINC000491286342 439363548 /nfs/dbraw/zinc/36/35/48/439363548.db2.gz HZHNUPWZKZZSJH-IBGZPJMESA-N 2 2 349.475 0.675 20 30 ECEDLP C#CCNC(=O)CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000491209968 439349485 /nfs/dbraw/zinc/34/94/85/439349485.db2.gz OFOUWWNIKDZQIE-UHFFFAOYSA-N 2 2 337.427 0.739 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000491724391 439435701 /nfs/dbraw/zinc/43/57/01/439435701.db2.gz BIDZEXJHBQQCBM-KRWDZBQOSA-N 2 2 342.443 0.312 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000491724391 439435705 /nfs/dbraw/zinc/43/57/05/439435705.db2.gz BIDZEXJHBQQCBM-KRWDZBQOSA-N 2 2 342.443 0.312 20 30 ECEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594524027 439571544 /nfs/dbraw/zinc/57/15/44/439571544.db2.gz HGRNSPBHCQXXQQ-NSHDSACASA-N 2 2 337.346 0.133 20 30 ECEDLP CN(C(=O)C1(C#N)CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559498 439575267 /nfs/dbraw/zinc/57/52/67/439575267.db2.gz JNTWCEKUMZJTQJ-INIZCTEOSA-N 2 2 334.464 0.934 20 30 ECEDLP CN(C(=O)C1(C#N)CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559498 439575272 /nfs/dbraw/zinc/57/52/72/439575272.db2.gz JNTWCEKUMZJTQJ-INIZCTEOSA-N 2 2 334.464 0.934 20 30 ECEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000584419026 439587536 /nfs/dbraw/zinc/58/75/36/439587536.db2.gz SMAVYCYEFSNUSZ-HZPDHXFCSA-N 2 2 334.420 0.345 20 30 ECEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000584419026 439587542 /nfs/dbraw/zinc/58/75/42/439587542.db2.gz SMAVYCYEFSNUSZ-HZPDHXFCSA-N 2 2 334.420 0.345 20 30 ECEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000584419026 439587545 /nfs/dbraw/zinc/58/75/45/439587545.db2.gz SMAVYCYEFSNUSZ-HZPDHXFCSA-N 2 2 334.420 0.345 20 30 ECEDLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000584419026 439587550 /nfs/dbraw/zinc/58/75/50/439587550.db2.gz SMAVYCYEFSNUSZ-HZPDHXFCSA-N 2 2 334.420 0.345 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000595126134 439658490 /nfs/dbraw/zinc/65/84/90/439658490.db2.gz UYOQCTVQIJKVSY-UHFFFAOYSA-N 2 2 349.410 0.636 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(F)cc1C#N ZINC000595126134 439658494 /nfs/dbraw/zinc/65/84/94/439658494.db2.gz UYOQCTVQIJKVSY-UHFFFAOYSA-N 2 2 349.410 0.636 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000664019351 440217159 /nfs/dbraw/zinc/21/71/59/440217159.db2.gz IUFAAUQRXISLCV-UHFFFAOYSA-N 3 2 325.501 0.820 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000664019351 440217165 /nfs/dbraw/zinc/21/71/65/440217165.db2.gz IUFAAUQRXISLCV-UHFFFAOYSA-N 3 2 325.501 0.820 20 30 ECEDLP C(#CC[N@@H+]1CC[C@H](n2cncn2)C1)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000671243418 548112178 /nfs/dbraw/zinc/11/21/78/548112178.db2.gz DGPLELGVSMFUNT-HOTGVXAUSA-N 2 2 326.408 0.067 20 30 ECEDLP C(#CC[N@H+]1CC[C@H](n2cncn2)C1)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000671243418 548112182 /nfs/dbraw/zinc/11/21/82/548112182.db2.gz DGPLELGVSMFUNT-HOTGVXAUSA-N 2 2 326.408 0.067 20 30 ECEDLP C#C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000775788664 579271252 /nfs/dbraw/zinc/27/12/52/579271252.db2.gz ITQNDNOZJGRBTK-SJORKVTESA-N 2 2 342.443 0.891 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896180692 586224980 /nfs/dbraw/zinc/22/49/80/586224980.db2.gz FDLPCWISANSFLZ-OAHLLOKOSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896180692 586224983 /nfs/dbraw/zinc/22/49/83/586224983.db2.gz FDLPCWISANSFLZ-OAHLLOKOSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000896180692 586224985 /nfs/dbraw/zinc/22/49/85/586224985.db2.gz FDLPCWISANSFLZ-OAHLLOKOSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000896180692 586224988 /nfs/dbraw/zinc/22/49/88/586224988.db2.gz FDLPCWISANSFLZ-OAHLLOKOSA-N 2 2 334.464 0.143 20 30 ECEDLP CON1CC[C@H](O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000902225673 586725914 /nfs/dbraw/zinc/72/59/14/586725914.db2.gz HMLCHCKQTRLNDT-HNNXBMFYSA-N 2 2 348.403 0.318 20 30 ECEDLP C=CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209494 587091163 /nfs/dbraw/zinc/09/11/63/587091163.db2.gz CLAUCSBSGOYBIC-HNNXBMFYSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209494 587091165 /nfs/dbraw/zinc/09/11/65/587091165.db2.gz CLAUCSBSGOYBIC-HNNXBMFYSA-N 2 2 336.480 0.694 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](Cc3ncon3)C2)CC1 ZINC000808085091 587143541 /nfs/dbraw/zinc/14/35/41/587143541.db2.gz URMWVUPLIOWGFF-HNNXBMFYSA-N 2 2 345.447 0.743 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ncon3)C2)CC1 ZINC000808085091 587143543 /nfs/dbraw/zinc/14/35/43/587143543.db2.gz URMWVUPLIOWGFF-HNNXBMFYSA-N 2 2 345.447 0.743 20 30 ECEDLP C#CCC[NH+]1CCN(c2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000840255352 587237268 /nfs/dbraw/zinc/23/72/68/587237268.db2.gz DLGJVEYBWXFXCO-JKSUJKDBSA-N 2 2 329.448 0.829 20 30 ECEDLP CN1CC[NH+](Cc2ccc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cc2)CC1 ZINC000844195698 589102363 /nfs/dbraw/zinc/10/23/63/589102363.db2.gz YCBVOZGFPGKZCI-IRXDYDNUSA-N 2 2 327.432 0.275 20 30 ECEDLP N#Cc1cnccc1C[NH+]1CCC(N2C(=O)O[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000863547974 590021876 /nfs/dbraw/zinc/02/18/76/590021876.db2.gz MUGYAFXPWOCJQC-JKSUJKDBSA-N 2 2 327.388 0.710 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000884370049 590814887 /nfs/dbraw/zinc/81/48/87/590814887.db2.gz YEMQVRAAELIRHG-ZDUSSCGKSA-N 2 2 327.425 0.002 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000884611912 590871127 /nfs/dbraw/zinc/87/11/27/590871127.db2.gz YEIMYYPFPUWTLF-AWEZNQCLSA-N 2 2 328.420 0.265 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000884611912 590871128 /nfs/dbraw/zinc/87/11/28/590871128.db2.gz YEIMYYPFPUWTLF-AWEZNQCLSA-N 2 2 328.420 0.265 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000890360763 591150439 /nfs/dbraw/zinc/15/04/39/591150439.db2.gz BCVWSKBLVPBDKJ-MSOLQXFVSA-N 2 2 348.491 0.980 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000890360763 591150441 /nfs/dbraw/zinc/15/04/41/591150441.db2.gz BCVWSKBLVPBDKJ-MSOLQXFVSA-N 2 2 348.491 0.980 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000923595528 609801253 /nfs/dbraw/zinc/80/12/53/609801253.db2.gz UQZZMFCVVHSUST-HOTGVXAUSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000923595528 609801254 /nfs/dbraw/zinc/80/12/54/609801254.db2.gz UQZZMFCVVHSUST-HOTGVXAUSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000923595528 609801255 /nfs/dbraw/zinc/80/12/55/609801255.db2.gz UQZZMFCVVHSUST-HOTGVXAUSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000923595528 609801256 /nfs/dbraw/zinc/80/12/56/609801256.db2.gz UQZZMFCVVHSUST-HOTGVXAUSA-N 2 2 335.448 0.475 20 30 ECEDLP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC000941464410 610333648 /nfs/dbraw/zinc/33/36/48/610333648.db2.gz JBSCAXQZXAHAIN-INIZCTEOSA-N 2 2 343.475 0.850 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000941512568 610352079 /nfs/dbraw/zinc/35/20/79/610352079.db2.gz NQMVDALORQADHX-UHFFFAOYSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000941596039 610390729 /nfs/dbraw/zinc/39/07/29/610390729.db2.gz UNWGTRDJERXMAW-QGZVFWFLSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)CC2)C1 ZINC000941677761 610450464 /nfs/dbraw/zinc/45/04/64/610450464.db2.gz VOBCKKXEYNNRIU-IBGZPJMESA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000941245298 610616124 /nfs/dbraw/zinc/61/61/24/610616124.db2.gz MFUZOLVTMLLZLO-CVEARBPZSA-N 2 2 343.431 0.006 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000941245298 610616125 /nfs/dbraw/zinc/61/61/25/610616125.db2.gz MFUZOLVTMLLZLO-CVEARBPZSA-N 2 2 343.431 0.006 20 30 ECEDLP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923334418 611230701 /nfs/dbraw/zinc/23/07/01/611230701.db2.gz XDVOFTXURHWKOV-DLBZAZTESA-N 2 2 328.416 0.488 20 30 ECEDLP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923334418 611230703 /nfs/dbraw/zinc/23/07/03/611230703.db2.gz XDVOFTXURHWKOV-DLBZAZTESA-N 2 2 328.416 0.488 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000923579467 611267795 /nfs/dbraw/zinc/26/77/95/611267795.db2.gz PGQIEVPNNJDFKW-QGZVFWFLSA-N 2 2 341.459 0.661 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000923579467 611267798 /nfs/dbraw/zinc/26/77/98/611267798.db2.gz PGQIEVPNNJDFKW-QGZVFWFLSA-N 2 2 341.459 0.661 20 30 ECEDLP C=CC[N@@H+]1CCOC2(CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000949496058 612006423 /nfs/dbraw/zinc/00/64/23/612006423.db2.gz OWDUTGVSJVZVRM-UHFFFAOYSA-N 2 2 337.464 0.588 20 30 ECEDLP C=CC[N@H+]1CCOC2(CCN(C(=O)CC[NH+]3CCOCC3)CC2)C1 ZINC000949496058 612006426 /nfs/dbraw/zinc/00/64/26/612006426.db2.gz OWDUTGVSJVZVRM-UHFFFAOYSA-N 2 2 337.464 0.588 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nc(C)no3)C2)CC1 ZINC000970788950 733941426 /nfs/dbraw/zinc/94/14/26/733941426.db2.gz RMTJHCPBJSYXNS-XJKSGUPXSA-N 2 2 345.447 0.975 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnon2)C1 ZINC001104305934 734182910 /nfs/dbraw/zinc/18/29/10/734182910.db2.gz AMAUAISFDCBAJQ-INMHGKMJSA-N 2 2 345.447 0.741 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(OC)no2)C1 ZINC000971705098 734966349 /nfs/dbraw/zinc/96/63/49/734966349.db2.gz ZFHVMGRMQUCKKR-HOCLYGCPSA-N 2 2 346.431 0.814 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(OC)no2)C1 ZINC000971705098 734966352 /nfs/dbraw/zinc/96/63/52/734966352.db2.gz ZFHVMGRMQUCKKR-HOCLYGCPSA-N 2 2 346.431 0.814 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cc(OC)no2)C1 ZINC000971705098 734966354 /nfs/dbraw/zinc/96/63/54/734966354.db2.gz ZFHVMGRMQUCKKR-HOCLYGCPSA-N 2 2 346.431 0.814 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cc(OC)no2)C1 ZINC000971705098 734966355 /nfs/dbraw/zinc/96/63/55/734966355.db2.gz ZFHVMGRMQUCKKR-HOCLYGCPSA-N 2 2 346.431 0.814 20 30 ECEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC000982160433 751668439 /nfs/dbraw/zinc/66/84/39/751668439.db2.gz XSQDNTTXKVUYBP-KRWDZBQOSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC000982160433 751668443 /nfs/dbraw/zinc/66/84/43/751668443.db2.gz XSQDNTTXKVUYBP-KRWDZBQOSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)nn1 ZINC001105328507 741819247 /nfs/dbraw/zinc/81/92/47/741819247.db2.gz HWTNMMGXVQPMTQ-UHFFFAOYSA-N 2 2 332.452 0.362 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)nn1 ZINC001105328507 741819250 /nfs/dbraw/zinc/81/92/50/741819250.db2.gz HWTNMMGXVQPMTQ-UHFFFAOYSA-N 2 2 332.452 0.362 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001026812586 741867950 /nfs/dbraw/zinc/86/79/50/741867950.db2.gz KTFJSONBUCOMCZ-LSDHHAIUSA-N 2 2 345.447 0.567 20 30 ECEDLP CC#CCN1CC[NH+](C2CCC(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000996803176 742892948 /nfs/dbraw/zinc/89/29/48/742892948.db2.gz PZBKEBUGNVMWGB-UHFFFAOYSA-N 2 2 343.475 0.951 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(C)o3)C2)CC1 ZINC001029004533 743164536 /nfs/dbraw/zinc/16/45/36/743164536.db2.gz YLUSCGRLLURJGE-HNNXBMFYSA-N 2 2 345.447 0.661 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(C)o3)C2)CC1 ZINC001029004533 743164543 /nfs/dbraw/zinc/16/45/43/743164543.db2.gz YLUSCGRLLURJGE-HNNXBMFYSA-N 2 2 345.447 0.661 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC001027447042 744473373 /nfs/dbraw/zinc/47/33/73/744473373.db2.gz ZQYVWJZFOJWURO-WBVHZDCISA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cnnn2C)C1 ZINC001027447042 744473375 /nfs/dbraw/zinc/47/33/75/744473375.db2.gz ZQYVWJZFOJWURO-WBVHZDCISA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2cnnn2C)C1 ZINC001027447042 744473377 /nfs/dbraw/zinc/47/33/77/744473377.db2.gz ZQYVWJZFOJWURO-WBVHZDCISA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2cnnn2C)C1 ZINC001027447042 744473379 /nfs/dbraw/zinc/47/33/79/744473379.db2.gz ZQYVWJZFOJWURO-WBVHZDCISA-N 2 2 344.463 0.336 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC000999324748 744628655 /nfs/dbraw/zinc/62/86/55/744628655.db2.gz YFJPFMDOJANNFS-HZPDHXFCSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC000999324748 744628657 /nfs/dbraw/zinc/62/86/57/744628657.db2.gz YFJPFMDOJANNFS-HZPDHXFCSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999391974 744672014 /nfs/dbraw/zinc/67/20/14/744672014.db2.gz OLOLZGWOLNKUMB-IRXDYDNUSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999391974 744672018 /nfs/dbraw/zinc/67/20/18/744672018.db2.gz OLOLZGWOLNKUMB-IRXDYDNUSA-N 2 2 329.448 0.598 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC000999752173 744885699 /nfs/dbraw/zinc/88/56/99/744885699.db2.gz DDGAQEWZNNDACQ-NRXISQOPSA-N 2 2 345.447 0.627 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CC)C2)nn1 ZINC000999996182 745155409 /nfs/dbraw/zinc/15/54/09/745155409.db2.gz IRTPGEZXBUJBJM-CVEARBPZSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CC)C2)nn1 ZINC000999996182 745155410 /nfs/dbraw/zinc/15/54/10/745155410.db2.gz IRTPGEZXBUJBJM-CVEARBPZSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC)C2)nn1 ZINC000999996182 745155415 /nfs/dbraw/zinc/15/54/15/745155415.db2.gz IRTPGEZXBUJBJM-CVEARBPZSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC)C2)nn1 ZINC000999996182 745155417 /nfs/dbraw/zinc/15/54/17/745155417.db2.gz IRTPGEZXBUJBJM-CVEARBPZSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)CC1 ZINC001000992481 745958105 /nfs/dbraw/zinc/95/81/05/745958105.db2.gz MCTHBOZMNQVARD-INIZCTEOSA-N 2 2 344.463 0.539 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC000978279922 746141711 /nfs/dbraw/zinc/14/17/11/746141711.db2.gz HHRDCEQVKPVHKT-NXOAAHMSSA-N 2 2 328.416 0.566 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC000978279922 746141713 /nfs/dbraw/zinc/14/17/13/746141713.db2.gz HHRDCEQVKPVHKT-NXOAAHMSSA-N 2 2 328.416 0.566 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccon3)C[C@H]21 ZINC000978279922 746141715 /nfs/dbraw/zinc/14/17/15/746141715.db2.gz HHRDCEQVKPVHKT-NXOAAHMSSA-N 2 2 328.416 0.566 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ccon3)C[C@H]21 ZINC000978279922 746141716 /nfs/dbraw/zinc/14/17/16/746141716.db2.gz HHRDCEQVKPVHKT-NXOAAHMSSA-N 2 2 328.416 0.566 20 30 ECEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978527258 746406390 /nfs/dbraw/zinc/40/63/90/746406390.db2.gz RFCAAAAXKUFNLU-FJIDUMEYSA-N 2 2 333.476 0.967 20 30 ECEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978527258 746406394 /nfs/dbraw/zinc/40/63/94/746406394.db2.gz RFCAAAAXKUFNLU-FJIDUMEYSA-N 2 2 333.476 0.967 20 30 ECEDLP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)[C@@H]2C1 ZINC000978527258 746406396 /nfs/dbraw/zinc/40/63/96/746406396.db2.gz RFCAAAAXKUFNLU-FJIDUMEYSA-N 2 2 333.476 0.967 20 30 ECEDLP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@H+]3CC3CCC3)[C@@H]2C1 ZINC000978527258 746406401 /nfs/dbraw/zinc/40/64/01/746406401.db2.gz RFCAAAAXKUFNLU-FJIDUMEYSA-N 2 2 333.476 0.967 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001027702234 746916071 /nfs/dbraw/zinc/91/60/71/746916071.db2.gz YNEUSYDCJQATNN-HOTGVXAUSA-N 2 2 345.447 0.593 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001027702234 746916073 /nfs/dbraw/zinc/91/60/73/746916073.db2.gz YNEUSYDCJQATNN-HOTGVXAUSA-N 2 2 345.447 0.593 20 30 ECEDLP C#CC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001088230877 747783407 /nfs/dbraw/zinc/78/34/07/747783407.db2.gz BKTIHPOLTVJPGS-ZWKOTPCHSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001088230877 747783413 /nfs/dbraw/zinc/78/34/13/747783413.db2.gz BKTIHPOLTVJPGS-ZWKOTPCHSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001088230877 747783419 /nfs/dbraw/zinc/78/34/19/747783419.db2.gz BKTIHPOLTVJPGS-ZWKOTPCHSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001088230877 747783424 /nfs/dbraw/zinc/78/34/24/747783424.db2.gz BKTIHPOLTVJPGS-ZWKOTPCHSA-N 2 2 349.475 0.280 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001027805200 747920392 /nfs/dbraw/zinc/92/03/92/747920392.db2.gz PCVBHISHWWKYDO-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001027805200 747920395 /nfs/dbraw/zinc/92/03/95/747920395.db2.gz PCVBHISHWWKYDO-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC001027805200 747920396 /nfs/dbraw/zinc/92/03/96/747920396.db2.gz PCVBHISHWWKYDO-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC001027805200 747920399 /nfs/dbraw/zinc/92/03/99/747920399.db2.gz PCVBHISHWWKYDO-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001003356929 748464223 /nfs/dbraw/zinc/46/42/23/748464223.db2.gz RXTDWQFWUISMGV-MSOLQXFVSA-N 2 2 349.475 0.470 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001004257741 749361638 /nfs/dbraw/zinc/36/16/38/749361638.db2.gz KQCCJIFKTLHNPZ-OAHLLOKOSA-N 2 2 331.420 0.251 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)Cc3cnnn3C)C2)CC1 ZINC000980477399 749630267 /nfs/dbraw/zinc/63/02/67/749630267.db2.gz GMLAKFRDRZIEOR-INIZCTEOSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)Cc3cnnn3C)C2)CC1 ZINC000980477399 749630272 /nfs/dbraw/zinc/63/02/72/749630272.db2.gz GMLAKFRDRZIEOR-INIZCTEOSA-N 2 2 344.463 0.193 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262765390 749680846 /nfs/dbraw/zinc/68/08/46/749680846.db2.gz HCMHRNSTCATNMC-BFHYXJOUSA-N 2 2 334.468 0.965 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1=O ZINC000981953153 751327225 /nfs/dbraw/zinc/32/72/25/751327225.db2.gz HAVJQVLAJREWAN-IRXDYDNUSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1=O ZINC000981953153 751327230 /nfs/dbraw/zinc/32/72/30/751327230.db2.gz HAVJQVLAJREWAN-IRXDYDNUSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1=O ZINC000981953153 751327236 /nfs/dbraw/zinc/32/72/36/751327236.db2.gz HAVJQVLAJREWAN-IRXDYDNUSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1=O ZINC000981953153 751327242 /nfs/dbraw/zinc/32/72/42/751327242.db2.gz HAVJQVLAJREWAN-IRXDYDNUSA-N 2 2 348.491 0.792 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001028465475 752754842 /nfs/dbraw/zinc/75/48/42/752754842.db2.gz LATJIZRDVUWHAL-YJBOKZPZSA-N 2 2 342.443 0.827 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001028465475 752754846 /nfs/dbraw/zinc/75/48/46/752754846.db2.gz LATJIZRDVUWHAL-YJBOKZPZSA-N 2 2 342.443 0.827 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001028465475 752754856 /nfs/dbraw/zinc/75/48/56/752754856.db2.gz LATJIZRDVUWHAL-YJBOKZPZSA-N 2 2 342.443 0.827 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001028465475 752754862 /nfs/dbraw/zinc/75/48/62/752754862.db2.gz LATJIZRDVUWHAL-YJBOKZPZSA-N 2 2 342.443 0.827 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001098649055 753634487 /nfs/dbraw/zinc/63/44/87/753634487.db2.gz KANVNUAHFSBEHN-JKSUJKDBSA-N 2 2 348.451 0.048 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001098649055 753634492 /nfs/dbraw/zinc/63/44/92/753634492.db2.gz KANVNUAHFSBEHN-JKSUJKDBSA-N 2 2 348.451 0.048 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001028601475 753880596 /nfs/dbraw/zinc/88/05/96/753880596.db2.gz PKTYSNPKWPITNK-RDJZCZTQSA-N 2 2 344.463 0.334 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001028601475 753880602 /nfs/dbraw/zinc/88/06/02/753880602.db2.gz PKTYSNPKWPITNK-RDJZCZTQSA-N 2 2 344.463 0.334 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cnnn2CC)C1 ZINC001028601475 753880609 /nfs/dbraw/zinc/88/06/09/753880609.db2.gz PKTYSNPKWPITNK-RDJZCZTQSA-N 2 2 344.463 0.334 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cnnn2CC)C1 ZINC001028601475 753880616 /nfs/dbraw/zinc/88/06/16/753880616.db2.gz PKTYSNPKWPITNK-RDJZCZTQSA-N 2 2 344.463 0.334 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ncccn3)C[C@H]2C)CC1 ZINC000989829264 754498504 /nfs/dbraw/zinc/49/85/04/754498504.db2.gz QDINYYCEHKQSDZ-NVXWUHKLSA-N 2 2 341.459 0.901 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001009526562 754978783 /nfs/dbraw/zinc/97/87/83/754978783.db2.gz ZXGIKYLDSPNIPV-JKSUJKDBSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001009526562 754978788 /nfs/dbraw/zinc/97/87/88/754978788.db2.gz ZXGIKYLDSPNIPV-JKSUJKDBSA-N 2 2 345.447 0.559 20 30 ECEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105661000 755325397 /nfs/dbraw/zinc/32/53/97/755325397.db2.gz CFKUCICBQMFSTQ-VVWQDTPRSA-N 2 2 344.459 0.942 20 30 ECEDLP C=CCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477152 755605155 /nfs/dbraw/zinc/60/51/55/755605155.db2.gz CQZSJJSLGCORES-PMPSAXMXSA-N 2 2 333.436 0.527 20 30 ECEDLP C=CCC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477152 755605160 /nfs/dbraw/zinc/60/51/60/755605160.db2.gz CQZSJJSLGCORES-PMPSAXMXSA-N 2 2 333.436 0.527 20 30 ECEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477152 755605164 /nfs/dbraw/zinc/60/51/64/755605164.db2.gz CQZSJJSLGCORES-PMPSAXMXSA-N 2 2 333.436 0.527 20 30 ECEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477152 755605168 /nfs/dbraw/zinc/60/51/68/755605168.db2.gz CQZSJJSLGCORES-PMPSAXMXSA-N 2 2 333.436 0.527 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)C1=O ZINC000996355919 757458386 /nfs/dbraw/zinc/45/83/86/757458386.db2.gz ORTPKDVCCQVESE-HUUCEWRRSA-N 2 2 345.447 0.566 20 30 ECEDLP C=CC[NH+]1CC(n2cc(CNC(=O)COC3CC[NH+](C)CC3)nn2)C1 ZINC001107225049 757926170 /nfs/dbraw/zinc/92/61/70/757926170.db2.gz LIMSCYCNEMWMFY-UHFFFAOYSA-N 2 2 348.451 0.048 20 30 ECEDLP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001077034310 758010695 /nfs/dbraw/zinc/01/06/95/758010695.db2.gz RUQCPDNFYUFQCX-BRWVUGGUSA-N 2 2 347.463 0.918 20 30 ECEDLP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001077034310 758010705 /nfs/dbraw/zinc/01/07/05/758010705.db2.gz RUQCPDNFYUFQCX-BRWVUGGUSA-N 2 2 347.463 0.918 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001077034310 758010717 /nfs/dbraw/zinc/01/07/17/758010717.db2.gz RUQCPDNFYUFQCX-BRWVUGGUSA-N 2 2 347.463 0.918 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001077034310 758010727 /nfs/dbraw/zinc/01/07/27/758010727.db2.gz RUQCPDNFYUFQCX-BRWVUGGUSA-N 2 2 347.463 0.918 20 30 ECEDLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001032201694 759580209 /nfs/dbraw/zinc/58/02/09/759580209.db2.gz IOZUQDGRICPHHO-INIZCTEOSA-N 2 2 348.472 0.888 20 30 ECEDLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001032201694 759580217 /nfs/dbraw/zinc/58/02/17/759580217.db2.gz IOZUQDGRICPHHO-INIZCTEOSA-N 2 2 348.472 0.888 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CCO)C2 ZINC001054268359 767883641 /nfs/dbraw/zinc/88/36/41/767883641.db2.gz VUGLVGIABQSJMY-SFHVURJKSA-N 2 2 327.428 0.708 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CCO)C2 ZINC001054268359 767883648 /nfs/dbraw/zinc/88/36/48/767883648.db2.gz VUGLVGIABQSJMY-SFHVURJKSA-N 2 2 327.428 0.708 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CCO)C2 ZINC001054268359 767883656 /nfs/dbraw/zinc/88/36/56/767883656.db2.gz VUGLVGIABQSJMY-SFHVURJKSA-N 2 2 327.428 0.708 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CCO)C2 ZINC001054268359 767883663 /nfs/dbraw/zinc/88/36/63/767883663.db2.gz VUGLVGIABQSJMY-SFHVURJKSA-N 2 2 327.428 0.708 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC001014780654 763142263 /nfs/dbraw/zinc/14/22/63/763142263.db2.gz UOTWUXWSJSCITP-MSOLQXFVSA-N 2 2 343.475 0.788 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC001014780654 763142268 /nfs/dbraw/zinc/14/22/68/763142268.db2.gz UOTWUXWSJSCITP-MSOLQXFVSA-N 2 2 343.475 0.788 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001014780654 763142272 /nfs/dbraw/zinc/14/22/72/763142272.db2.gz UOTWUXWSJSCITP-MSOLQXFVSA-N 2 2 343.475 0.788 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001014780654 763142276 /nfs/dbraw/zinc/14/22/76/763142276.db2.gz UOTWUXWSJSCITP-MSOLQXFVSA-N 2 2 343.475 0.788 20 30 ECEDLP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046927356 763401757 /nfs/dbraw/zinc/40/17/57/763401757.db2.gz YCFWYSHYNNNANW-UONOGXRCSA-N 2 2 331.407 0.967 20 30 ECEDLP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046927356 763401759 /nfs/dbraw/zinc/40/17/59/763401759.db2.gz YCFWYSHYNNNANW-UONOGXRCSA-N 2 2 331.407 0.967 20 30 ECEDLP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046927356 763401761 /nfs/dbraw/zinc/40/17/61/763401761.db2.gz YCFWYSHYNNNANW-UONOGXRCSA-N 2 2 331.407 0.967 20 30 ECEDLP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046927356 763401763 /nfs/dbraw/zinc/40/17/63/763401763.db2.gz YCFWYSHYNNNANW-UONOGXRCSA-N 2 2 331.407 0.967 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046994389 763531428 /nfs/dbraw/zinc/53/14/28/763531428.db2.gz FDUXBTYCHVJWCO-KBPBESRZSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994389 763531434 /nfs/dbraw/zinc/53/14/34/763531434.db2.gz FDUXBTYCHVJWCO-KBPBESRZSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046994389 763531439 /nfs/dbraw/zinc/53/14/39/763531439.db2.gz FDUXBTYCHVJWCO-KBPBESRZSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046994389 763531441 /nfs/dbraw/zinc/53/14/41/763531441.db2.gz FDUXBTYCHVJWCO-KBPBESRZSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027989 763623812 /nfs/dbraw/zinc/62/38/12/763623812.db2.gz MFVUCICPJRZXAG-RBUKOAKNSA-N 2 2 344.503 0.570 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001052036730 763650799 /nfs/dbraw/zinc/65/07/99/763650799.db2.gz TUOFZSNWSJBWOE-QGZVFWFLSA-N 2 2 332.492 0.713 20 30 ECEDLP N#CCN1CC[NH+]([C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001052047872 763692505 /nfs/dbraw/zinc/69/25/05/763692505.db2.gz DJLWKEDELXXELA-INIZCTEOSA-N 2 2 331.464 0.357 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001052048429 763696651 /nfs/dbraw/zinc/69/66/51/763696651.db2.gz UBAXYDWMECLUOX-RBUKOAKNSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001052048429 763696659 /nfs/dbraw/zinc/69/66/59/763696659.db2.gz UBAXYDWMECLUOX-RBUKOAKNSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001052048429 763696661 /nfs/dbraw/zinc/69/66/61/763696661.db2.gz UBAXYDWMECLUOX-RBUKOAKNSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001052048429 763696668 /nfs/dbraw/zinc/69/66/68/763696668.db2.gz UBAXYDWMECLUOX-RBUKOAKNSA-N 2 2 346.519 0.959 20 30 ECEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052118289 763931848 /nfs/dbraw/zinc/93/18/48/763931848.db2.gz BMJQKQIFEVEXAV-DLBZAZTESA-N 2 2 333.480 0.603 20 30 ECEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052118289 763931853 /nfs/dbraw/zinc/93/18/53/763931853.db2.gz BMJQKQIFEVEXAV-DLBZAZTESA-N 2 2 333.480 0.603 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N3CC[NH+](CC=C)CC3)C2)CC1 ZINC001052122772 763947696 /nfs/dbraw/zinc/94/76/96/763947696.db2.gz ZZDCTEXUKFMOCL-LJQANCHMSA-N 2 2 344.503 0.736 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH+]3CCN(CC=C)CC3)C2)CC1 ZINC001052122772 763947702 /nfs/dbraw/zinc/94/77/02/763947702.db2.gz ZZDCTEXUKFMOCL-LJQANCHMSA-N 2 2 344.503 0.736 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC2CCOCC2)C[C@@H]1O ZINC001047415455 764274680 /nfs/dbraw/zinc/27/46/80/764274680.db2.gz ZFHYJNZSDCZXAG-BZSNNMDCSA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CCOCC2)C[C@@H]1O ZINC001047415455 764274685 /nfs/dbraw/zinc/27/46/85/764274685.db2.gz ZFHYJNZSDCZXAG-BZSNNMDCSA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC2CCOCC2)C[C@@H]1O ZINC001047415455 764274693 /nfs/dbraw/zinc/27/46/93/764274693.db2.gz ZFHYJNZSDCZXAG-BZSNNMDCSA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC2CCOCC2)C[C@@H]1O ZINC001047415455 764274701 /nfs/dbraw/zinc/27/47/01/764274701.db2.gz ZFHYJNZSDCZXAG-BZSNNMDCSA-N 2 2 349.475 0.014 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001047453913 764396612 /nfs/dbraw/zinc/39/66/12/764396612.db2.gz VARBRASLQVSMSL-IRXDYDNUSA-N 2 2 339.399 0.408 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001047453913 764396617 /nfs/dbraw/zinc/39/66/17/764396617.db2.gz VARBRASLQVSMSL-IRXDYDNUSA-N 2 2 339.399 0.408 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1=O ZINC001052749724 765064095 /nfs/dbraw/zinc/06/40/95/765064095.db2.gz ZLSQRXSBTPKKLO-GDBMZVCRSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1=O ZINC001052749724 765064104 /nfs/dbraw/zinc/06/41/04/765064104.db2.gz ZLSQRXSBTPKKLO-GDBMZVCRSA-N 2 2 345.447 0.710 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC001053304871 765940669 /nfs/dbraw/zinc/94/06/69/765940669.db2.gz SCLUTUCBKLBMHF-HZPDHXFCSA-N 2 2 337.464 0.585 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC001053304871 765940676 /nfs/dbraw/zinc/94/06/76/765940676.db2.gz SCLUTUCBKLBMHF-HZPDHXFCSA-N 2 2 337.464 0.585 20 30 ECEDLP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001046027872 766688456 /nfs/dbraw/zinc/68/84/56/766688456.db2.gz PURFCSCUUDFLBE-INIZCTEOSA-N 2 2 329.448 0.584 20 30 ECEDLP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001046027872 766688461 /nfs/dbraw/zinc/68/84/61/766688461.db2.gz PURFCSCUUDFLBE-INIZCTEOSA-N 2 2 329.448 0.584 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC001046042415 766754765 /nfs/dbraw/zinc/75/47/65/766754765.db2.gz ZLOZNLMZVJRRBD-OAHLLOKOSA-N 2 2 345.447 0.202 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC001046042415 766754771 /nfs/dbraw/zinc/75/47/71/766754771.db2.gz ZLOZNLMZVJRRBD-OAHLLOKOSA-N 2 2 345.447 0.202 20 30 ECEDLP N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC001046044099 766764965 /nfs/dbraw/zinc/76/49/65/766764965.db2.gz OYMFUEITMKQNDR-KRWDZBQOSA-N 2 2 338.415 0.690 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CC3CCC3)C2)C1 ZINC001053832951 766970837 /nfs/dbraw/zinc/97/08/37/766970837.db2.gz QXAAQIZFCXFIGD-SJORKVTESA-N 2 2 331.460 0.844 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CC3CCC3)C2)C1 ZINC001053832951 766970842 /nfs/dbraw/zinc/97/08/42/766970842.db2.gz QXAAQIZFCXFIGD-SJORKVTESA-N 2 2 331.460 0.844 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875455 767111764 /nfs/dbraw/zinc/11/17/64/767111764.db2.gz DADCHQDQHAZMOX-LPMVOBIJSA-N 2 2 347.459 0.385 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875455 767111767 /nfs/dbraw/zinc/11/17/67/767111767.db2.gz DADCHQDQHAZMOX-LPMVOBIJSA-N 2 2 347.459 0.385 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046506054 767268303 /nfs/dbraw/zinc/26/83/03/767268303.db2.gz OBQGFLWDGLDBIP-ZIFCJYIRSA-N 2 2 349.475 0.470 20 30 ECEDLP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046506054 767268306 /nfs/dbraw/zinc/26/83/06/767268306.db2.gz OBQGFLWDGLDBIP-ZIFCJYIRSA-N 2 2 349.475 0.470 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106712657 768700483 /nfs/dbraw/zinc/70/04/83/768700483.db2.gz GUNNUOYLRWEIMM-OWCLPIDISA-N 2 2 347.463 0.821 20 30 ECEDLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055631511 769304186 /nfs/dbraw/zinc/30/41/86/769304186.db2.gz HDVIHISWLUFAKV-CYBMUJFWSA-N 2 2 346.435 0.048 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nnc(CC)[nH]2)C1 ZINC001018986201 770485805 /nfs/dbraw/zinc/48/58/05/770485805.db2.gz VLJLVRIBFDTESU-ILXRZTDVSA-N 2 2 344.463 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nnc(CC)[nH]2)C1 ZINC001018986201 770485809 /nfs/dbraw/zinc/48/58/09/770485809.db2.gz VLJLVRIBFDTESU-ILXRZTDVSA-N 2 2 344.463 0.716 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106874547 770504566 /nfs/dbraw/zinc/50/45/66/770504566.db2.gz KKTSWWGBLBLCMR-ZIAGYGMSSA-N 2 2 345.447 0.121 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)CC1 ZINC001031434912 771068775 /nfs/dbraw/zinc/06/87/75/771068775.db2.gz JUMDKYYSSUMZPA-KRWDZBQOSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC001020250768 772351954 /nfs/dbraw/zinc/35/19/54/772351954.db2.gz PPIRISNZRVCCOD-JYJNAYRXSA-N 2 2 327.432 0.619 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC001020250768 772351959 /nfs/dbraw/zinc/35/19/59/772351959.db2.gz PPIRISNZRVCCOD-JYJNAYRXSA-N 2 2 327.432 0.619 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1C ZINC001079878208 777010923 /nfs/dbraw/zinc/01/09/23/777010923.db2.gz MJCJPLCUEVTNOQ-NXHRZFHOSA-N 2 2 343.475 0.497 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1C ZINC001079878208 777010930 /nfs/dbraw/zinc/01/09/30/777010930.db2.gz MJCJPLCUEVTNOQ-NXHRZFHOSA-N 2 2 343.475 0.497 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1C ZINC001079878208 777010938 /nfs/dbraw/zinc/01/09/38/777010938.db2.gz MJCJPLCUEVTNOQ-NXHRZFHOSA-N 2 2 343.475 0.497 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1C ZINC001079878208 777010945 /nfs/dbraw/zinc/01/09/45/777010945.db2.gz MJCJPLCUEVTNOQ-NXHRZFHOSA-N 2 2 343.475 0.497 20 30 ECEDLP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001070380689 783918174 /nfs/dbraw/zinc/91/81/74/783918174.db2.gz UXQXSPGLUKSWLM-KDOFPFPSSA-N 2 2 343.431 0.061 20 30 ECEDLP C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442248 784084063 /nfs/dbraw/zinc/08/40/63/784084063.db2.gz FTGNDGVHERXGSG-LSDHHAIUSA-N 2 2 344.463 0.621 20 30 ECEDLP C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442248 784084070 /nfs/dbraw/zinc/08/40/70/784084070.db2.gz FTGNDGVHERXGSG-LSDHHAIUSA-N 2 2 344.463 0.621 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001070558584 784273922 /nfs/dbraw/zinc/27/39/22/784273922.db2.gz GYPTWZWKVMHDHP-XJKSGUPXSA-N 2 2 326.404 0.212 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)C[C@H]21 ZINC001074410289 786896081 /nfs/dbraw/zinc/89/60/81/786896081.db2.gz PEGUUAVLOMUROW-RTBURBONSA-N 2 2 343.471 0.657 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)C[C@H]21 ZINC001074410289 786896089 /nfs/dbraw/zinc/89/60/89/786896089.db2.gz PEGUUAVLOMUROW-RTBURBONSA-N 2 2 343.471 0.657 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3OCC[N@@H+](CCCO)[C@H]3C2)CC1 ZINC001074415142 786912075 /nfs/dbraw/zinc/91/20/75/786912075.db2.gz LAPKLCMMYCMKDF-ROUUACIJSA-N 2 2 349.475 0.016 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3OCC[N@H+](CCCO)[C@H]3C2)CC1 ZINC001074415142 786912081 /nfs/dbraw/zinc/91/20/81/786912081.db2.gz LAPKLCMMYCMKDF-ROUUACIJSA-N 2 2 349.475 0.016 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C)C1=O ZINC001074629204 787446288 /nfs/dbraw/zinc/44/62/88/787446288.db2.gz IXZXPCLRMUHEPK-SOUVJXGZSA-N 2 2 345.447 0.708 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@H]2C)C1=O ZINC001074781488 787806455 /nfs/dbraw/zinc/80/64/55/787806455.db2.gz RTOFQYRVPBRPNA-JYJNAYRXSA-N 2 2 345.447 0.639 20 30 ECEDLP C=CCN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1=O ZINC001266280622 835608664 /nfs/dbraw/zinc/60/86/64/835608664.db2.gz MEKJDARGKLDNQN-CVEARBPZSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1=O ZINC001266280622 835608667 /nfs/dbraw/zinc/60/86/67/835608667.db2.gz MEKJDARGKLDNQN-CVEARBPZSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2CCC)C1=O ZINC001266280622 835608672 /nfs/dbraw/zinc/60/86/72/835608672.db2.gz MEKJDARGKLDNQN-CVEARBPZSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2CCC)C1=O ZINC001266280622 835608675 /nfs/dbraw/zinc/60/86/75/835608675.db2.gz MEKJDARGKLDNQN-CVEARBPZSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001266333585 835715711 /nfs/dbraw/zinc/71/57/11/835715711.db2.gz QDPDZJUDLZNFGP-GJZGRUSLSA-N 2 2 331.420 0.251 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001266333585 835715718 /nfs/dbraw/zinc/71/57/18/835715718.db2.gz QDPDZJUDLZNFGP-GJZGRUSLSA-N 2 2 331.420 0.251 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cc(OC)no1)C1CC1 ZINC001266411916 835817262 /nfs/dbraw/zinc/81/72/62/835817262.db2.gz HVGAUMFHUZBYDW-HOTGVXAUSA-N 2 2 346.431 0.765 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cc(OC)no1)C1CC1 ZINC001266411916 835817264 /nfs/dbraw/zinc/81/72/64/835817264.db2.gz HVGAUMFHUZBYDW-HOTGVXAUSA-N 2 2 346.431 0.765 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001267050849 836683314 /nfs/dbraw/zinc/68/33/14/836683314.db2.gz UXBJBUVBSKXSOC-INIZCTEOSA-N 2 2 342.443 0.808 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](Cc1cnn(C)c1)C1CC1 ZINC001267327304 837206272 /nfs/dbraw/zinc/20/62/72/837206272.db2.gz ITPBDHYRPPMASC-KRWDZBQOSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](Cc1cnn(C)c1)C1CC1 ZINC001267327304 837206284 /nfs/dbraw/zinc/20/62/84/837206284.db2.gz ITPBDHYRPPMASC-KRWDZBQOSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](Cc1cnn(C)c1)C1CC1 ZINC001267327304 837206290 /nfs/dbraw/zinc/20/62/90/837206290.db2.gz ITPBDHYRPPMASC-KRWDZBQOSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](Cc1cnn(C)c1)C1CC1 ZINC001267327304 837206298 /nfs/dbraw/zinc/20/62/98/837206298.db2.gz ITPBDHYRPPMASC-KRWDZBQOSA-N 2 2 329.448 0.598 20 30 ECEDLP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001267593153 837890548 /nfs/dbraw/zinc/89/05/48/837890548.db2.gz DOXSYDXAKKTJGE-ZDUSSCGKSA-N 2 2 346.435 0.107 20 30 ECEDLP C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001267593153 837890557 /nfs/dbraw/zinc/89/05/57/837890557.db2.gz DOXSYDXAKKTJGE-ZDUSSCGKSA-N 2 2 346.435 0.107 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ncnn1CC ZINC001267804706 838583582 /nfs/dbraw/zinc/58/35/82/838583582.db2.gz AAMZJXWYYFYHHI-CABCVRRESA-N 2 2 332.452 0.380 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ncnn1CC ZINC001267804706 838583586 /nfs/dbraw/zinc/58/35/86/838583586.db2.gz AAMZJXWYYFYHHI-CABCVRRESA-N 2 2 332.452 0.380 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]Cc2nnc(C)o2)CC1 ZINC001267830854 838626149 /nfs/dbraw/zinc/62/61/49/838626149.db2.gz HQNVLFBLFKZEJO-OAHLLOKOSA-N 2 2 333.436 0.708 20 30 ECEDLP C#CCNC(=O)C[NH2+]CC1(NC(=O)CCc2c[nH+]cn2C)CCCC1 ZINC001267842978 838641464 /nfs/dbraw/zinc/64/14/64/838641464.db2.gz CYQAGOGMPJZYBA-UHFFFAOYSA-N 2 2 345.447 0.121 20 30 ECEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000283344008 264108274 /nfs/dbraw/zinc/10/82/74/264108274.db2.gz AYUGPQOYFSYJMB-UHFFFAOYSA-N 2 2 342.447 0.239 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC000081665983 436353309 /nfs/dbraw/zinc/35/33/09/436353309.db2.gz AQWYFRVMZYOHBN-QGZVFWFLSA-N 2 2 346.475 0.002 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC000081665983 436353312 /nfs/dbraw/zinc/35/33/12/436353312.db2.gz AQWYFRVMZYOHBN-QGZVFWFLSA-N 2 2 346.475 0.002 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134894696 436905671 /nfs/dbraw/zinc/90/56/71/436905671.db2.gz XUVSVLYYPFJQAK-MJGOQNOKSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000134894696 436905674 /nfs/dbraw/zinc/90/56/74/436905674.db2.gz XUVSVLYYPFJQAK-MJGOQNOKSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134894696 436905678 /nfs/dbraw/zinc/90/56/78/436905678.db2.gz XUVSVLYYPFJQAK-MJGOQNOKSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134894696 436905681 /nfs/dbraw/zinc/90/56/81/436905681.db2.gz XUVSVLYYPFJQAK-MJGOQNOKSA-N 2 2 344.503 0.713 20 30 ECEDLP C[NH+](C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000264134172 437017008 /nfs/dbraw/zinc/01/70/08/437017008.db2.gz ZBLRNXUOFPSSAZ-OAHLLOKOSA-N 3 2 339.509 0.977 20 30 ECEDLP C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303977128 437156148 /nfs/dbraw/zinc/15/61/48/437156148.db2.gz KZYMJKJGMMGQMO-ZDUSSCGKSA-N 2 2 341.456 0.184 20 30 ECEDLP C[N@H+]1CCO[C@@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303977128 437156151 /nfs/dbraw/zinc/15/61/51/437156151.db2.gz KZYMJKJGMMGQMO-ZDUSSCGKSA-N 2 2 341.456 0.184 20 30 ECEDLP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000328687223 437251892 /nfs/dbraw/zinc/25/18/92/437251892.db2.gz GVLAWXNXQKDAOB-OAHLLOKOSA-N 2 2 335.452 0.919 20 30 ECEDLP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000328687223 437251894 /nfs/dbraw/zinc/25/18/94/437251894.db2.gz GVLAWXNXQKDAOB-OAHLLOKOSA-N 2 2 335.452 0.919 20 30 ECEDLP C#CCNc1nc(NC[C@@H](C)[NH+](C)C)nc(NC[C@H](C)[NH+](C)C)[nH+]1 ZINC000288328650 437309831 /nfs/dbraw/zinc/30/98/31/437309831.db2.gz IFEUCYNEZDBOOC-BETUJISGSA-N 3 2 334.472 0.641 20 30 ECEDLP C#CCNc1nc(NC[C@H](C)[NH+](C)C)nc(NC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000288328650 437309834 /nfs/dbraw/zinc/30/98/34/437309834.db2.gz IFEUCYNEZDBOOC-BETUJISGSA-N 3 2 334.472 0.641 20 30 ECEDLP CN(C)C(=O)C[NH+]1CCC([NH+]=C([O-])N2CCn3cc[nH+]c3C2)CC1 ZINC000329461129 437370795 /nfs/dbraw/zinc/37/07/95/437370795.db2.gz SFPWBYTYPHZZRG-UHFFFAOYSA-N 2 2 334.424 0.165 20 30 ECEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncccc1S(C)(=O)=O ZINC000278643417 437329563 /nfs/dbraw/zinc/32/95/63/437329563.db2.gz ZLWPRDNBJGOELP-LBPRGKRZSA-N 2 2 339.465 0.374 20 30 ECEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncccc1S(C)(=O)=O ZINC000278643417 437329567 /nfs/dbraw/zinc/32/95/67/437329567.db2.gz ZLWPRDNBJGOELP-LBPRGKRZSA-N 2 2 339.465 0.374 20 30 ECEDLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000329189823 437331610 /nfs/dbraw/zinc/33/16/10/437331610.db2.gz CENYAXPNLGVWAN-BZUAXINKSA-N 2 2 340.468 0.416 20 30 ECEDLP Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000330184750 437465325 /nfs/dbraw/zinc/46/53/25/437465325.db2.gz IRMCDVKYZSBSGH-JKSUJKDBSA-N 2 2 334.468 0.816 20 30 ECEDLP Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1C[N@H+](C)CCN1C ZINC000330184750 437465331 /nfs/dbraw/zinc/46/53/31/437465331.db2.gz IRMCDVKYZSBSGH-JKSUJKDBSA-N 2 2 334.468 0.816 20 30 ECEDLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000330184750 437465333 /nfs/dbraw/zinc/46/53/33/437465333.db2.gz IRMCDVKYZSBSGH-JKSUJKDBSA-N 2 2 334.468 0.816 20 30 ECEDLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000330184750 437465337 /nfs/dbraw/zinc/46/53/37/437465337.db2.gz IRMCDVKYZSBSGH-JKSUJKDBSA-N 2 2 334.468 0.816 20 30 ECEDLP CN(CC[NH+](C)C)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330877956 437639758 /nfs/dbraw/zinc/63/97/58/437639758.db2.gz GYNHDHPCDDYAOD-UHFFFAOYSA-N 2 2 348.451 0.508 20 30 ECEDLP C[C@@H](CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000330897339 437643651 /nfs/dbraw/zinc/64/36/51/437643651.db2.gz UCQKVNWDXSCYED-ZDUSSCGKSA-N 2 2 348.451 0.745 20 30 ECEDLP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000331240910 437724835 /nfs/dbraw/zinc/72/48/35/437724835.db2.gz MYUXOBHDRPXIRE-MGPQQGTHSA-N 2 2 341.456 0.551 20 30 ECEDLP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000331240910 437724838 /nfs/dbraw/zinc/72/48/38/437724838.db2.gz MYUXOBHDRPXIRE-MGPQQGTHSA-N 2 2 341.456 0.551 20 30 ECEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000362851209 437757804 /nfs/dbraw/zinc/75/78/04/437757804.db2.gz LTPSSEZQDSQRLI-DLBZAZTESA-N 2 2 334.464 0.935 20 30 ECEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000362851209 437757807 /nfs/dbraw/zinc/75/78/07/437757807.db2.gz LTPSSEZQDSQRLI-DLBZAZTESA-N 2 2 334.464 0.935 20 30 ECEDLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000378383726 438382008 /nfs/dbraw/zinc/38/20/08/438382008.db2.gz RLWOUDQSQVLDFR-UHFFFAOYSA-N 2 2 341.459 0.844 20 30 ECEDLP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000378383726 438382010 /nfs/dbraw/zinc/38/20/10/438382010.db2.gz RLWOUDQSQVLDFR-UHFFFAOYSA-N 2 2 341.459 0.844 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000378498356 438394990 /nfs/dbraw/zinc/39/49/90/438394990.db2.gz SWCUNBGVBHPNEX-QGZVFWFLSA-N 2 2 342.443 0.992 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000378498356 438394994 /nfs/dbraw/zinc/39/49/94/438394994.db2.gz SWCUNBGVBHPNEX-QGZVFWFLSA-N 2 2 342.443 0.992 20 30 ECEDLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)[C@@H](C)C#N)CC2)CC1 ZINC000564448256 438874306 /nfs/dbraw/zinc/87/43/06/438874306.db2.gz ZUDWBZCXOGSGNY-AWEZNQCLSA-N 2 2 328.482 0.720 20 30 ECEDLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)[C@@H](C)C#N)CC2)CC1 ZINC000564448256 438874312 /nfs/dbraw/zinc/87/43/12/438874312.db2.gz ZUDWBZCXOGSGNY-AWEZNQCLSA-N 2 2 328.482 0.720 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595869155 438874689 /nfs/dbraw/zinc/87/46/89/438874689.db2.gz VQQPRUMFBDLZGF-MSOLQXFVSA-N 2 2 345.443 0.829 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595869155 438874691 /nfs/dbraw/zinc/87/46/91/438874691.db2.gz VQQPRUMFBDLZGF-MSOLQXFVSA-N 2 2 345.443 0.829 20 30 ECEDLP N#CC[C@]1(O)CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000592152083 439167300 /nfs/dbraw/zinc/16/73/00/439167300.db2.gz TYZBWDMSBTWFHL-SFHVURJKSA-N 2 2 343.431 0.471 20 30 ECEDLP N#CC[C@]1(O)CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000592152083 439167302 /nfs/dbraw/zinc/16/73/02/439167302.db2.gz TYZBWDMSBTWFHL-SFHVURJKSA-N 2 2 343.431 0.471 20 30 ECEDLP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3ccc(C#N)cn3)CC2)CC1 ZINC000602913034 439159027 /nfs/dbraw/zinc/15/90/27/439159027.db2.gz QOFQIDYRWMJEHA-UHFFFAOYSA-N 2 2 327.432 0.907 20 30 ECEDLP C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989388 439177608 /nfs/dbraw/zinc/17/76/08/439177608.db2.gz NQEUHPCEPDOSRN-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989388 439177615 /nfs/dbraw/zinc/17/76/15/439177615.db2.gz NQEUHPCEPDOSRN-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000525686552 439211484 /nfs/dbraw/zinc/21/14/84/439211484.db2.gz ANJCGENKBWCMBJ-HKUYNNGSSA-N 2 2 347.507 0.895 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](COC)Cc2ccccc2)CC1 ZINC000490742173 439293010 /nfs/dbraw/zinc/29/30/10/439293010.db2.gz VTMJCGZHOTWKRD-LJQANCHMSA-N 2 2 343.471 0.953 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](COC)Cc2ccccc2)CC1 ZINC000490742173 439293014 /nfs/dbraw/zinc/29/30/14/439293014.db2.gz VTMJCGZHOTWKRD-LJQANCHMSA-N 2 2 343.471 0.953 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000490866008 439305351 /nfs/dbraw/zinc/30/53/51/439305351.db2.gz KXWNORPZZSJRDN-GOSISDBHSA-N 2 2 326.444 0.950 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000490866008 439305356 /nfs/dbraw/zinc/30/53/56/439305356.db2.gz KXWNORPZZSJRDN-GOSISDBHSA-N 2 2 326.444 0.950 20 30 ECEDLP C#CCNC(=O)CC[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000491626442 439415241 /nfs/dbraw/zinc/41/52/41/439415241.db2.gz JWBNIXMSFBGRIK-UHFFFAOYSA-N 3 2 329.448 0.323 20 30 ECEDLP Cn1cc[nH+]c1CN1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599289907 439422408 /nfs/dbraw/zinc/42/24/08/439422408.db2.gz MFIMFNZRYGOJTQ-INIZCTEOSA-N 2 2 347.463 0.609 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000491666959 439424261 /nfs/dbraw/zinc/42/42/61/439424261.db2.gz KKDDIJUZFGXXKC-OKZBNKHCSA-N 2 2 332.492 0.426 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000491666959 439424266 /nfs/dbraw/zinc/42/42/66/439424266.db2.gz KKDDIJUZFGXXKC-OKZBNKHCSA-N 2 2 332.492 0.426 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN(CC[NH+](C)C)Cc2ccccn2)CC1 ZINC000491671645 439424287 /nfs/dbraw/zinc/42/42/87/439424287.db2.gz QUTGEVSBVFVADI-UHFFFAOYSA-N 2 2 343.475 0.223 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)[C@H]2CCCSC2)CC1 ZINC000491727780 439437792 /nfs/dbraw/zinc/43/77/92/439437792.db2.gz CFRDAJSWUXMLRT-INIZCTEOSA-N 2 2 339.505 0.608 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)[C@H]2CCCSC2)CC1 ZINC000491727780 439437794 /nfs/dbraw/zinc/43/77/94/439437794.db2.gz CFRDAJSWUXMLRT-INIZCTEOSA-N 2 2 339.505 0.608 20 30 ECEDLP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000594436216 439561411 /nfs/dbraw/zinc/56/14/11/439561411.db2.gz BVQUAHFNXUILCD-ZBFHGGJFSA-N 2 2 340.493 0.722 20 30 ECEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000609537711 439575568 /nfs/dbraw/zinc/57/55/68/439575568.db2.gz CVUSQZMFTUQKQE-SJORKVTESA-N 2 2 335.496 0.705 20 30 ECEDLP C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000594803210 439616230 /nfs/dbraw/zinc/61/62/30/439616230.db2.gz MDMSVCVCONHUDT-KGLIPLIRSA-N 2 2 333.502 0.184 20 30 ECEDLP C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000594803210 439616232 /nfs/dbraw/zinc/61/62/32/439616232.db2.gz MDMSVCVCONHUDT-KGLIPLIRSA-N 2 2 333.502 0.184 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000600742686 439697633 /nfs/dbraw/zinc/69/76/33/439697633.db2.gz KEENLKGANFNJEM-DLBZAZTESA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000600742686 439697634 /nfs/dbraw/zinc/69/76/34/439697634.db2.gz KEENLKGANFNJEM-DLBZAZTESA-N 2 2 333.432 0.734 20 30 ECEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000615791730 439806629 /nfs/dbraw/zinc/80/66/29/439806629.db2.gz TXSIDAPTWGEFSK-JKSUJKDBSA-N 2 2 333.480 0.649 20 30 ECEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000615791730 439806630 /nfs/dbraw/zinc/80/66/30/439806630.db2.gz TXSIDAPTWGEFSK-JKSUJKDBSA-N 2 2 333.480 0.649 20 30 ECEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)C(C)C ZINC000638069305 440423443 /nfs/dbraw/zinc/42/34/43/440423443.db2.gz NVPWCMZAKIMGCE-JKSUJKDBSA-N 2 2 336.480 0.622 20 30 ECEDLP C=C[C@H](CO)[NH2+]CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000662165695 440979244 /nfs/dbraw/zinc/97/92/44/440979244.db2.gz MSMMTSIDFJKSQN-OAHLLOKOSA-N 2 2 347.463 0.694 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C[C@H](O)C[N@H+](C)Cc2ccccc2)nn1 ZINC000641215146 441076191 /nfs/dbraw/zinc/07/61/91/441076191.db2.gz NYSYVYHXKQPDNJ-GOSISDBHSA-N 2 2 327.432 0.884 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C[C@H](O)C[N@@H+](C)Cc2ccccc2)nn1 ZINC000641215146 441076194 /nfs/dbraw/zinc/07/61/94/441076194.db2.gz NYSYVYHXKQPDNJ-GOSISDBHSA-N 2 2 327.432 0.884 20 30 ECEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000619717901 546363120 /nfs/dbraw/zinc/36/31/20/546363120.db2.gz XERKKSYSQRHZAI-INIZCTEOSA-N 2 2 337.464 0.980 20 30 ECEDLP CN1CCC[C@H](O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000778592841 579309863 /nfs/dbraw/zinc/30/98/63/579309863.db2.gz SDCULICCANEOFH-INIZCTEOSA-N 2 2 346.431 0.777 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000746190368 579832365 /nfs/dbraw/zinc/83/23/65/579832365.db2.gz HVYBPTKTFUMZLZ-HXUWFJFHSA-N 2 2 341.455 0.791 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000746190368 579832367 /nfs/dbraw/zinc/83/23/67/579832367.db2.gz HVYBPTKTFUMZLZ-HXUWFJFHSA-N 2 2 341.455 0.791 20 30 ECEDLP CCn1nncc1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000842025513 589008980 /nfs/dbraw/zinc/00/89/80/589008980.db2.gz WZINZACQWMKMRJ-UHFFFAOYSA-N 2 2 344.419 0.967 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000900473582 586637070 /nfs/dbraw/zinc/63/70/70/586637070.db2.gz GRXMWCMQQZZNTP-INIZCTEOSA-N 2 2 335.448 0.429 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000900473582 586637072 /nfs/dbraw/zinc/63/70/72/586637072.db2.gz GRXMWCMQQZZNTP-INIZCTEOSA-N 2 2 335.448 0.429 20 30 ECEDLP C=CC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C(=O)OC ZINC000905770518 586914225 /nfs/dbraw/zinc/91/42/25/586914225.db2.gz CKJBTBSEMMOROO-OAHLLOKOSA-N 2 2 325.453 0.490 20 30 ECEDLP CC(=NNC(=S)NCC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000814716699 587279041 /nfs/dbraw/zinc/27/90/41/587279041.db2.gz HXIQXNNPAXMXKG-UHFFFAOYSA-N 2 2 327.498 0.500 20 30 ECEDLP C#CCCCNC(=O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817826267 587387654 /nfs/dbraw/zinc/38/76/54/587387654.db2.gz VLTYAQDHIIWRNX-UHFFFAOYSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCCCNC(=O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817826267 587387656 /nfs/dbraw/zinc/38/76/56/587387656.db2.gz VLTYAQDHIIWRNX-UHFFFAOYSA-N 2 2 348.491 0.535 20 30 ECEDLP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000844194069 589101981 /nfs/dbraw/zinc/10/19/81/589101981.db2.gz WADCEQHMOIWZDM-XIRDDKMYSA-N 3 2 338.415 0.029 20 30 ECEDLP C#C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000827564574 588128579 /nfs/dbraw/zinc/12/85/79/588128579.db2.gz DNBIDDHSPBYIMJ-IBGZPJMESA-N 2 2 335.492 0.801 20 30 ECEDLP C#C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CCOCC1 ZINC000827564574 588128581 /nfs/dbraw/zinc/12/85/81/588128581.db2.gz DNBIDDHSPBYIMJ-IBGZPJMESA-N 2 2 335.492 0.801 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000876717734 590402690 /nfs/dbraw/zinc/40/26/90/590402690.db2.gz GLHHJLKLGYZZKC-CQSZACIVSA-N 2 2 344.887 0.859 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000876717734 590402694 /nfs/dbraw/zinc/40/26/94/590402694.db2.gz GLHHJLKLGYZZKC-CQSZACIVSA-N 2 2 344.887 0.859 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[NH+]1CCSCC1 ZINC000876726137 590404987 /nfs/dbraw/zinc/40/49/87/590404987.db2.gz BGKBWESIHIVUIY-INIZCTEOSA-N 2 2 330.457 0.910 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000876971595 590430669 /nfs/dbraw/zinc/43/06/69/590430669.db2.gz BSDUPIVYJSSABA-AEFFLSMTSA-N 2 2 339.443 0.251 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000876971595 590430670 /nfs/dbraw/zinc/43/06/70/590430670.db2.gz BSDUPIVYJSSABA-AEFFLSMTSA-N 2 2 339.443 0.251 20 30 ECEDLP C#CC[N@@H+](C)CCCNS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000882221859 590528590 /nfs/dbraw/zinc/52/85/90/590528590.db2.gz BFMNEXOVOSNGGB-UHFFFAOYSA-N 2 2 335.473 0.908 20 30 ECEDLP C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc2c1CC[NH+](C)C2 ZINC000882221859 590528587 /nfs/dbraw/zinc/52/85/87/590528587.db2.gz BFMNEXOVOSNGGB-UHFFFAOYSA-N 2 2 335.473 0.908 20 30 ECEDLP C#CC[NH+](C)CCCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000882221859 590528591 /nfs/dbraw/zinc/52/85/91/590528591.db2.gz BFMNEXOVOSNGGB-UHFFFAOYSA-N 2 2 335.473 0.908 20 30 ECEDLP C#CC[NH+](C)CCCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000882221859 590528594 /nfs/dbraw/zinc/52/85/94/590528594.db2.gz BFMNEXOVOSNGGB-UHFFFAOYSA-N 2 2 335.473 0.908 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000884078656 590735093 /nfs/dbraw/zinc/73/50/93/590735093.db2.gz RSLCZUYJXKDZLL-GOSISDBHSA-N 2 2 349.523 0.801 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000884078656 590735097 /nfs/dbraw/zinc/73/50/97/590735097.db2.gz RSLCZUYJXKDZLL-GOSISDBHSA-N 2 2 349.523 0.801 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000884078656 590735101 /nfs/dbraw/zinc/73/51/01/590735101.db2.gz RSLCZUYJXKDZLL-GOSISDBHSA-N 2 2 349.523 0.801 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000884078656 590735104 /nfs/dbraw/zinc/73/51/04/590735104.db2.gz RSLCZUYJXKDZLL-GOSISDBHSA-N 2 2 349.523 0.801 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000884345710 590811676 /nfs/dbraw/zinc/81/16/76/590811676.db2.gz NBTJZNLPTIILRK-PMPSAXMXSA-N 2 2 349.406 0.916 20 30 ECEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CO[NH+]=C(N)C2CCCC2)C1 ZINC000178139262 608948693 /nfs/dbraw/zinc/94/86/93/608948693.db2.gz PARINWXUGWXWNV-HNNXBMFYSA-N 2 2 340.468 0.938 20 30 ECEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CO[NH+]=C(N)C2CCCC2)C1 ZINC000178139262 608948694 /nfs/dbraw/zinc/94/86/94/608948694.db2.gz PARINWXUGWXWNV-HNNXBMFYSA-N 2 2 340.468 0.938 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941436941 610314646 /nfs/dbraw/zinc/31/46/46/610314646.db2.gz LXBZHQJXZVODIZ-QGZVFWFLSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941436941 610314648 /nfs/dbraw/zinc/31/46/48/610314648.db2.gz LXBZHQJXZVODIZ-QGZVFWFLSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941440517 610316348 /nfs/dbraw/zinc/31/63/48/610316348.db2.gz LGJXDOYKMWIHNG-KRWDZBQOSA-N 2 2 336.455 0.272 20 30 ECEDLP C=CCC[C@H](O)CN1CC[NH2+]CC[N@H+](C[C@@H](O)CCC=C)CC1 ZINC000923395043 611237699 /nfs/dbraw/zinc/23/76/99/611237699.db2.gz OVYNTJKYPXYDOG-ROUUACIJSA-N 2 2 325.497 0.848 20 30 ECEDLP C=CCC[C@H](O)CN1CC[NH2+]CC[N@@H+](C[C@@H](O)CCC=C)CC1 ZINC000923395043 611237701 /nfs/dbraw/zinc/23/77/01/611237701.db2.gz OVYNTJKYPXYDOG-ROUUACIJSA-N 2 2 325.497 0.848 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1=O ZINC000981957204 751339930 /nfs/dbraw/zinc/33/99/30/751339930.db2.gz GDAKMBHMPAZVGL-DLBZAZTESA-N 2 2 348.491 0.649 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1=O ZINC000981957204 751339935 /nfs/dbraw/zinc/33/99/35/751339935.db2.gz GDAKMBHMPAZVGL-DLBZAZTESA-N 2 2 348.491 0.649 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1=O ZINC000981957204 751339941 /nfs/dbraw/zinc/33/99/41/751339941.db2.gz GDAKMBHMPAZVGL-DLBZAZTESA-N 2 2 348.491 0.649 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1=O ZINC000981957204 751339948 /nfs/dbraw/zinc/33/99/48/751339948.db2.gz GDAKMBHMPAZVGL-DLBZAZTESA-N 2 2 348.491 0.649 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nncs3)C2)CC1 ZINC000970792666 733943743 /nfs/dbraw/zinc/94/37/43/733943743.db2.gz RCTWBNNKDKQMII-CQSZACIVSA-N 2 2 333.461 0.574 20 30 ECEDLP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001167348624 733963137 /nfs/dbraw/zinc/96/31/37/733963137.db2.gz OGWONZBRZQAUFT-HNNXBMFYSA-N 2 2 345.447 0.460 20 30 ECEDLP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972315984 735934468 /nfs/dbraw/zinc/93/44/68/735934468.db2.gz KNGHCCQPBGFGDF-FUHWJXTLSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972315984 735934470 /nfs/dbraw/zinc/93/44/70/735934470.db2.gz KNGHCCQPBGFGDF-FUHWJXTLSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315984 735934471 /nfs/dbraw/zinc/93/44/71/735934471.db2.gz KNGHCCQPBGFGDF-FUHWJXTLSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315984 735934473 /nfs/dbraw/zinc/93/44/73/735934473.db2.gz KNGHCCQPBGFGDF-FUHWJXTLSA-N 2 2 337.464 0.587 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972675623 737348397 /nfs/dbraw/zinc/34/83/97/737348397.db2.gz CSDWIYZYTDOOOG-MJGOQNOKSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972675623 737348401 /nfs/dbraw/zinc/34/84/01/737348401.db2.gz CSDWIYZYTDOOOG-MJGOQNOKSA-N 2 2 349.475 0.281 20 30 ECEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972678263 737357947 /nfs/dbraw/zinc/35/79/47/737357947.db2.gz VEOMGQBOPKOMDI-AEFFLSMTSA-N 2 2 337.464 0.444 20 30 ECEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972678263 737357950 /nfs/dbraw/zinc/35/79/50/737357950.db2.gz VEOMGQBOPKOMDI-AEFFLSMTSA-N 2 2 337.464 0.444 20 30 ECEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001104620185 739229396 /nfs/dbraw/zinc/22/93/96/739229396.db2.gz ZGIBUAKDYDOFDJ-UNEWFSDZSA-N 2 2 347.463 0.717 20 30 ECEDLP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001104620185 739229401 /nfs/dbraw/zinc/22/94/01/739229401.db2.gz ZGIBUAKDYDOFDJ-UNEWFSDZSA-N 2 2 347.463 0.717 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000974263010 741192735 /nfs/dbraw/zinc/19/27/35/741192735.db2.gz JLLHQHKGIPLZTH-XHSDSOJGSA-N 2 2 343.431 0.053 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000974263010 741192736 /nfs/dbraw/zinc/19/27/36/741192736.db2.gz JLLHQHKGIPLZTH-XHSDSOJGSA-N 2 2 343.431 0.053 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001105318894 741765606 /nfs/dbraw/zinc/76/56/06/741765606.db2.gz STWATHQMJCCYKH-UHFFFAOYSA-N 2 2 330.436 0.116 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001027245302 743278183 /nfs/dbraw/zinc/27/81/83/743278183.db2.gz QUJITWJVVXYUIU-HUUCEWRRSA-N 2 2 331.420 0.108 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000998302916 744108768 /nfs/dbraw/zinc/10/87/68/744108768.db2.gz KKAGZYNHFQYMRH-UONOGXRCSA-N 2 2 347.381 0.711 20 30 ECEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000999161290 744542236 /nfs/dbraw/zinc/54/22/36/744542236.db2.gz PHZFOKPCCVUJHK-BACDZXNISA-N 2 2 335.448 0.078 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999391338 744671162 /nfs/dbraw/zinc/67/11/62/744671162.db2.gz KUFNQVQDQUHFDZ-HOTGVXAUSA-N 2 2 327.432 0.655 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000999391338 744671164 /nfs/dbraw/zinc/67/11/64/744671164.db2.gz KUFNQVQDQUHFDZ-HOTGVXAUSA-N 2 2 327.432 0.655 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000999398148 744675212 /nfs/dbraw/zinc/67/52/12/744675212.db2.gz ODOXMCALUDZSCK-HOTGVXAUSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000999398148 744675214 /nfs/dbraw/zinc/67/52/14/744675214.db2.gz ODOXMCALUDZSCK-HOTGVXAUSA-N 2 2 329.448 0.598 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC000999834710 744930270 /nfs/dbraw/zinc/93/02/70/744930270.db2.gz DNBVIQJIKSDZQM-JKSUJKDBSA-N 2 2 345.447 0.641 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167985388 745107560 /nfs/dbraw/zinc/10/75/60/745107560.db2.gz GNLVATJZHAXOHK-AWEZNQCLSA-N 2 2 348.451 0.446 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167985388 745107563 /nfs/dbraw/zinc/10/75/63/745107563.db2.gz GNLVATJZHAXOHK-AWEZNQCLSA-N 2 2 348.451 0.446 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC000983900119 745473302 /nfs/dbraw/zinc/47/33/02/745473302.db2.gz FJMWULBVZWZPIQ-MIGQKNRLSA-N 2 2 344.463 0.756 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC000983900119 745473306 /nfs/dbraw/zinc/47/33/06/745473306.db2.gz FJMWULBVZWZPIQ-MIGQKNRLSA-N 2 2 344.463 0.756 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001000788632 745764555 /nfs/dbraw/zinc/76/45/55/745764555.db2.gz WMXLTYQFZADDQQ-RDJZCZTQSA-N 2 2 346.475 0.309 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001000788632 745764560 /nfs/dbraw/zinc/76/45/60/745764560.db2.gz WMXLTYQFZADDQQ-RDJZCZTQSA-N 2 2 346.475 0.309 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001000788632 745764565 /nfs/dbraw/zinc/76/45/65/745764565.db2.gz WMXLTYQFZADDQQ-RDJZCZTQSA-N 2 2 346.475 0.309 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001000788632 745764568 /nfs/dbraw/zinc/76/45/68/745764568.db2.gz WMXLTYQFZADDQQ-RDJZCZTQSA-N 2 2 346.475 0.309 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nccn3C)C[C@H]21 ZINC000978280074 746142484 /nfs/dbraw/zinc/14/24/84/746142484.db2.gz IIZXDRSCOUVPKK-NXOAAHMSSA-N 2 2 341.459 0.312 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]21 ZINC000978280074 746142487 /nfs/dbraw/zinc/14/24/87/746142487.db2.gz IIZXDRSCOUVPKK-NXOAAHMSSA-N 2 2 341.459 0.312 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3nccn3C)C[C@H]21 ZINC000978280074 746142490 /nfs/dbraw/zinc/14/24/90/746142490.db2.gz IIZXDRSCOUVPKK-NXOAAHMSSA-N 2 2 341.459 0.312 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3nccn3C)C[C@H]21 ZINC000978280074 746142492 /nfs/dbraw/zinc/14/24/92/746142492.db2.gz IIZXDRSCOUVPKK-NXOAAHMSSA-N 2 2 341.459 0.312 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(=O)NC)CC1 ZINC001029597214 747855396 /nfs/dbraw/zinc/85/53/96/747855396.db2.gz MHRLMGGJNMFRNZ-BHYGNILZSA-N 2 2 346.475 0.141 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)C(=O)NC)CC1 ZINC001029597214 747855405 /nfs/dbraw/zinc/85/54/05/747855405.db2.gz MHRLMGGJNMFRNZ-BHYGNILZSA-N 2 2 346.475 0.141 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001027804414 747914526 /nfs/dbraw/zinc/91/45/26/747914526.db2.gz AMWFNKJQOSAOPO-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001027804414 747914531 /nfs/dbraw/zinc/91/45/31/747914531.db2.gz AMWFNKJQOSAOPO-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC001027804414 747914536 /nfs/dbraw/zinc/91/45/36/747914536.db2.gz AMWFNKJQOSAOPO-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC001027804414 747914541 /nfs/dbraw/zinc/91/45/41/747914541.db2.gz AMWFNKJQOSAOPO-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cnnn2C)C1 ZINC001029758125 748270888 /nfs/dbraw/zinc/27/08/88/748270888.db2.gz RSWGSNRMJJFLOM-WBVHZDCISA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cnnn2C)C1 ZINC001029758125 748270895 /nfs/dbraw/zinc/27/08/95/748270895.db2.gz RSWGSNRMJJFLOM-WBVHZDCISA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2cnnn2C)C1 ZINC001029758125 748270902 /nfs/dbraw/zinc/27/09/02/748270902.db2.gz RSWGSNRMJJFLOM-WBVHZDCISA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCc2ccnn2C)CC1 ZINC000981361469 750625641 /nfs/dbraw/zinc/62/56/41/750625641.db2.gz OLBJMUOEKBSYMJ-SFHVURJKSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCc2ccnn2C)CC1 ZINC000981361469 750625646 /nfs/dbraw/zinc/62/56/46/750625646.db2.gz OLBJMUOEKBSYMJ-SFHVURJKSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCc2ccnn2C)CC1 ZINC000981361469 750625651 /nfs/dbraw/zinc/62/56/51/750625651.db2.gz OLBJMUOEKBSYMJ-SFHVURJKSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCc2ccnn2C)CC1 ZINC000981361469 750625655 /nfs/dbraw/zinc/62/56/55/750625655.db2.gz OLBJMUOEKBSYMJ-SFHVURJKSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)o3)[C@@H]2C)CC1 ZINC000987577359 750979354 /nfs/dbraw/zinc/97/93/54/750979354.db2.gz UINUEWBWFKSQLJ-BBRMVZONSA-N 2 2 345.447 0.802 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3csnn3)[C@H]2C)CC1 ZINC000987576134 750991900 /nfs/dbraw/zinc/99/19/00/750991900.db2.gz NHGWTGIWWNNHEG-CJNGLKHVSA-N 2 2 347.488 0.962 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3csnn3)[C@H]2C)CC1 ZINC000987576136 750991935 /nfs/dbraw/zinc/99/19/35/750991935.db2.gz NHGWTGIWWNNHEG-CZUORRHYSA-N 2 2 347.488 0.962 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)nn1 ZINC001105375939 753851287 /nfs/dbraw/zinc/85/12/87/753851287.db2.gz WAKCOZLQJAYRGF-INIZCTEOSA-N 2 2 348.451 0.048 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)nn1 ZINC001105375939 753851294 /nfs/dbraw/zinc/85/12/94/753851294.db2.gz WAKCOZLQJAYRGF-INIZCTEOSA-N 2 2 348.451 0.048 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001028601721 753882595 /nfs/dbraw/zinc/88/25/95/753882595.db2.gz UEFSREZMCYYIMF-RDJZCZTQSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001028601721 753882603 /nfs/dbraw/zinc/88/26/03/753882603.db2.gz UEFSREZMCYYIMF-RDJZCZTQSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001028601721 753882612 /nfs/dbraw/zinc/88/26/12/753882612.db2.gz UEFSREZMCYYIMF-RDJZCZTQSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001028601721 753882620 /nfs/dbraw/zinc/88/26/20/753882620.db2.gz UEFSREZMCYYIMF-RDJZCZTQSA-N 2 2 329.448 0.456 20 30 ECEDLP C=CCC[NH+]1CC(n2cc(CNC(=O)Cn3c[nH+]cc3C)nn2)C1 ZINC001107185083 757357497 /nfs/dbraw/zinc/35/74/97/757357497.db2.gz JIBCDURNARKNBA-UHFFFAOYSA-N 2 2 329.408 0.532 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001049083407 757914903 /nfs/dbraw/zinc/91/49/03/757914903.db2.gz BXDFZDZNKVEJLF-LZWOXQAQSA-N 2 2 343.431 0.129 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001049083407 757914910 /nfs/dbraw/zinc/91/49/10/757914910.db2.gz BXDFZDZNKVEJLF-LZWOXQAQSA-N 2 2 343.431 0.129 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1O ZINC001077158441 758374802 /nfs/dbraw/zinc/37/48/02/758374802.db2.gz FWUSJFRTEICHBR-FGTMMUONSA-N 2 2 327.428 0.446 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1O ZINC001077158441 758374811 /nfs/dbraw/zinc/37/48/11/758374811.db2.gz FWUSJFRTEICHBR-FGTMMUONSA-N 2 2 327.428 0.446 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1O ZINC001077158441 758374819 /nfs/dbraw/zinc/37/48/19/758374819.db2.gz FWUSJFRTEICHBR-FGTMMUONSA-N 2 2 327.428 0.446 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1O ZINC001077158441 758374827 /nfs/dbraw/zinc/37/48/27/758374827.db2.gz FWUSJFRTEICHBR-FGTMMUONSA-N 2 2 327.428 0.446 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@@H](C)c3cnccn3)C2)CC1 ZINC001032206582 759636502 /nfs/dbraw/zinc/63/65/02/759636502.db2.gz DKGRHPRRQJQTJN-HNNXBMFYSA-N 2 2 341.459 0.931 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1=O ZINC001127292767 767884125 /nfs/dbraw/zinc/88/41/25/767884125.db2.gz KZNWXARXWOLQMN-OAHLLOKOSA-N 2 2 341.415 0.749 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107071900 759760136 /nfs/dbraw/zinc/76/01/36/759760136.db2.gz VAFHLIFCQPCJEW-HZPDHXFCSA-N 2 2 347.463 0.650 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001083630833 759810525 /nfs/dbraw/zinc/81/05/25/759810525.db2.gz PDCWKLVIRQMVRD-CVEARBPZSA-N 2 2 325.372 0.066 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001083630833 759810536 /nfs/dbraw/zinc/81/05/36/759810536.db2.gz PDCWKLVIRQMVRD-CVEARBPZSA-N 2 2 325.372 0.066 20 30 ECEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000073176921 760139590 /nfs/dbraw/zinc/13/95/90/760139590.db2.gz PQTUBJRHCIGFNA-UHFFFAOYSA-N 2 2 330.392 0.510 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046947958 763439744 /nfs/dbraw/zinc/43/97/44/763439744.db2.gz AAWRTZRQDIEAJE-MGPQQGTHSA-N 2 2 329.391 0.412 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046947958 763439752 /nfs/dbraw/zinc/43/97/52/763439752.db2.gz AAWRTZRQDIEAJE-MGPQQGTHSA-N 2 2 329.391 0.412 20 30 ECEDLP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046947958 763439759 /nfs/dbraw/zinc/43/97/59/763439759.db2.gz AAWRTZRQDIEAJE-MGPQQGTHSA-N 2 2 329.391 0.412 20 30 ECEDLP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046947958 763439763 /nfs/dbraw/zinc/43/97/63/763439763.db2.gz AAWRTZRQDIEAJE-MGPQQGTHSA-N 2 2 329.391 0.412 20 30 ECEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052073992 763778272 /nfs/dbraw/zinc/77/82/72/763778272.db2.gz RFBPQYZYEWFMFJ-GOSISDBHSA-N 2 2 332.492 0.570 20 30 ECEDLP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)[NH+]1CCCCCC1 ZINC001052094053 763840031 /nfs/dbraw/zinc/84/00/31/763840031.db2.gz WKBKEDOSAZVRCJ-ROUUACIJSA-N 2 2 347.507 0.993 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106343339 768169755 /nfs/dbraw/zinc/16/97/55/768169755.db2.gz ZZCOJLZXEHGGCQ-BRWVUGGUSA-N 2 2 344.459 0.779 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001052100559 763861889 /nfs/dbraw/zinc/86/18/89/763861889.db2.gz FPUUZLCFBPZBON-SFHVURJKSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001052119314 763936328 /nfs/dbraw/zinc/93/63/28/763936328.db2.gz OXAPRMGONNROOV-MSOLQXFVSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001052119314 763936334 /nfs/dbraw/zinc/93/63/34/763936334.db2.gz OXAPRMGONNROOV-MSOLQXFVSA-N 2 2 332.492 0.713 20 30 ECEDLP CC(C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)[NH+]1CCCC1 ZINC001052119635 763936474 /nfs/dbraw/zinc/93/64/74/763936474.db2.gz SZCJRKUCEYGUML-QZTJIDSGSA-N 2 2 347.507 0.849 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccn(C)n2)CC1 ZINC001052456554 764537234 /nfs/dbraw/zinc/53/72/34/764537234.db2.gz HHGGVLPOXSEGDZ-WMZOPIPTSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccn(C)n2)CC1 ZINC001052456554 764537240 /nfs/dbraw/zinc/53/72/40/764537240.db2.gz HHGGVLPOXSEGDZ-WMZOPIPTSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccn(C)n2)CC1 ZINC001052456554 764537247 /nfs/dbraw/zinc/53/72/47/764537247.db2.gz HHGGVLPOXSEGDZ-WMZOPIPTSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccn(C)n2)CC1 ZINC001052456554 764537252 /nfs/dbraw/zinc/53/72/52/764537252.db2.gz HHGGVLPOXSEGDZ-WMZOPIPTSA-N 2 2 343.475 0.988 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)C1=O ZINC001089038262 764852477 /nfs/dbraw/zinc/85/24/77/764852477.db2.gz LSMRRUNOHBTGLE-PMPSAXMXSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)C1=O ZINC001089038262 764852490 /nfs/dbraw/zinc/85/24/90/764852490.db2.gz LSMRRUNOHBTGLE-PMPSAXMXSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263774 765866516 /nfs/dbraw/zinc/86/65/16/765866516.db2.gz YKJXZFLRRZPZQL-HOTGVXAUSA-N 2 2 335.448 0.339 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263774 765866520 /nfs/dbraw/zinc/86/65/20/765866520.db2.gz YKJXZFLRRZPZQL-HOTGVXAUSA-N 2 2 335.448 0.339 20 30 ECEDLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306522 766084541 /nfs/dbraw/zinc/08/45/41/766084541.db2.gz PPSFOMKNIBCOQH-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306522 766084546 /nfs/dbraw/zinc/08/45/46/766084546.db2.gz PPSFOMKNIBCOQH-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306522 766084551 /nfs/dbraw/zinc/08/45/51/766084551.db2.gz PPSFOMKNIBCOQH-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306522 766084557 /nfs/dbraw/zinc/08/45/57/766084557.db2.gz PPSFOMKNIBCOQH-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C)C[NH+]1CCOCC1)CCO2 ZINC001053533062 766293355 /nfs/dbraw/zinc/29/33/55/766293355.db2.gz KVAJMWJVTOQKDC-INIZCTEOSA-N 2 2 337.464 0.444 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001046029067 766694168 /nfs/dbraw/zinc/69/41/68/766694168.db2.gz YHQYABCPVZZYMW-INIZCTEOSA-N 2 2 329.448 0.584 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001046029067 766694175 /nfs/dbraw/zinc/69/41/75/766694175.db2.gz YHQYABCPVZZYMW-INIZCTEOSA-N 2 2 329.448 0.584 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001046062426 766833939 /nfs/dbraw/zinc/83/39/39/766833939.db2.gz GVXXIPDPPVJCBX-BRWVUGGUSA-N 2 2 343.475 0.928 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001046062426 766833948 /nfs/dbraw/zinc/83/39/48/766833948.db2.gz GVXXIPDPPVJCBX-BRWVUGGUSA-N 2 2 343.475 0.928 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)CO2 ZINC001053804416 766893311 /nfs/dbraw/zinc/89/33/11/766893311.db2.gz TUQGHNLBADJIMG-OAHLLOKOSA-N 2 2 347.463 0.594 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CC3CCC3)C2)C1 ZINC001053832950 766970352 /nfs/dbraw/zinc/97/03/52/766970352.db2.gz QXAAQIZFCXFIGD-IRXDYDNUSA-N 2 2 331.460 0.844 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CC3CCC3)C2)C1 ZINC001053832950 766970360 /nfs/dbraw/zinc/97/03/60/766970360.db2.gz QXAAQIZFCXFIGD-IRXDYDNUSA-N 2 2 331.460 0.844 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCn2nc(C)nc2C)C1 ZINC001031740618 766985386 /nfs/dbraw/zinc/98/53/86/766985386.db2.gz GWVIZJYFZQJOCW-KRWDZBQOSA-N 2 2 344.463 0.041 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCn2nc(C)nc2C)C1 ZINC001031740618 766985391 /nfs/dbraw/zinc/98/53/91/766985391.db2.gz GWVIZJYFZQJOCW-KRWDZBQOSA-N 2 2 344.463 0.041 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875454 767111120 /nfs/dbraw/zinc/11/11/20/767111120.db2.gz DADCHQDQHAZMOX-GARNVTTQSA-N 2 2 347.459 0.385 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875454 767111125 /nfs/dbraw/zinc/11/11/25/767111125.db2.gz DADCHQDQHAZMOX-GARNVTTQSA-N 2 2 347.459 0.385 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1occc1C[NH+](C)C)CO2 ZINC001053907927 767328261 /nfs/dbraw/zinc/32/82/61/767328261.db2.gz GQKVHYXWTNHHKG-HNNXBMFYSA-N 2 2 331.416 0.938 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)CO2 ZINC001053953019 767439482 /nfs/dbraw/zinc/43/94/82/767439482.db2.gz JNGUSHMPRAZJLB-INIZCTEOSA-N 2 2 345.447 0.041 20 30 ECEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106574096 768450567 /nfs/dbraw/zinc/45/05/67/768450567.db2.gz ARVASGCBCYTZTB-JFIYKMOQSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574096 768450570 /nfs/dbraw/zinc/45/05/70/768450570.db2.gz ARVASGCBCYTZTB-JFIYKMOQSA-N 2 2 333.476 0.947 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106748064 768842885 /nfs/dbraw/zinc/84/28/85/768842885.db2.gz HPMPEYCJLWGMNE-BZUAXINKSA-N 2 2 332.448 0.922 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106748064 768842898 /nfs/dbraw/zinc/84/28/98/768842898.db2.gz HPMPEYCJLWGMNE-BZUAXINKSA-N 2 2 332.448 0.922 20 30 ECEDLP C=CCCC(=O)NC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001055595685 769211146 /nfs/dbraw/zinc/21/11/46/769211146.db2.gz AYOJAZPRYYTKDS-UHFFFAOYSA-N 2 2 333.436 0.546 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1 ZINC001018665036 769737034 /nfs/dbraw/zinc/73/70/34/769737034.db2.gz LFCDHTBSSOTIQW-RDJZCZTQSA-N 2 2 346.406 0.718 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1 ZINC001018665036 769737040 /nfs/dbraw/zinc/73/70/40/769737040.db2.gz LFCDHTBSSOTIQW-RDJZCZTQSA-N 2 2 346.406 0.718 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(OC)no2)C1 ZINC001018985826 770483185 /nfs/dbraw/zinc/48/31/85/770483185.db2.gz HNTDPJRNPPLBKG-ZFWWWQNUSA-N 2 2 332.404 0.471 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(OC)no2)C1 ZINC001018985826 770483192 /nfs/dbraw/zinc/48/31/92/770483192.db2.gz HNTDPJRNPPLBKG-ZFWWWQNUSA-N 2 2 332.404 0.471 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070040808 790423173 /nfs/dbraw/zinc/42/31/73/790423173.db2.gz GXYSPZITZYXSMQ-CABCVRRESA-N 2 2 343.435 0.826 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070040808 790423180 /nfs/dbraw/zinc/42/31/80/790423180.db2.gz GXYSPZITZYXSMQ-CABCVRRESA-N 2 2 343.435 0.826 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102285 790612349 /nfs/dbraw/zinc/61/23/49/790612349.db2.gz AOLXVROSBSUNAF-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102285 790612353 /nfs/dbraw/zinc/61/23/53/790612353.db2.gz AOLXVROSBSUNAF-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102285 790612359 /nfs/dbraw/zinc/61/23/59/790612359.db2.gz AOLXVROSBSUNAF-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102285 790612361 /nfs/dbraw/zinc/61/23/61/790612361.db2.gz AOLXVROSBSUNAF-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079129757 780789545 /nfs/dbraw/zinc/78/95/45/780789545.db2.gz FIQSOIYGFHWEPA-GUDVDZBRSA-N 2 2 341.455 0.788 20 30 ECEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079129757 780789549 /nfs/dbraw/zinc/78/95/49/780789549.db2.gz FIQSOIYGFHWEPA-GUDVDZBRSA-N 2 2 341.455 0.788 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079129757 780789554 /nfs/dbraw/zinc/78/95/54/780789554.db2.gz FIQSOIYGFHWEPA-GUDVDZBRSA-N 2 2 341.455 0.788 20 30 ECEDLP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079129757 780789559 /nfs/dbraw/zinc/78/95/59/780789559.db2.gz FIQSOIYGFHWEPA-GUDVDZBRSA-N 2 2 341.455 0.788 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](Cc3cnon3)C2)C1 ZINC001041366792 781364018 /nfs/dbraw/zinc/36/40/18/781364018.db2.gz BWVDEEQGCCSZMC-WMZOPIPTSA-N 2 2 343.431 0.592 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](Cc3cnon3)C2)C1 ZINC001041366792 781364025 /nfs/dbraw/zinc/36/40/25/781364025.db2.gz BWVDEEQGCCSZMC-WMZOPIPTSA-N 2 2 343.431 0.592 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3cnon3)C2)C1 ZINC001041366792 781364039 /nfs/dbraw/zinc/36/40/39/781364039.db2.gz BWVDEEQGCCSZMC-WMZOPIPTSA-N 2 2 343.431 0.592 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3cnon3)C2)C1 ZINC001041366792 781364043 /nfs/dbraw/zinc/36/40/43/781364043.db2.gz BWVDEEQGCCSZMC-WMZOPIPTSA-N 2 2 343.431 0.592 20 30 ECEDLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077675241 781479422 /nfs/dbraw/zinc/47/94/22/781479422.db2.gz GMDWAWKWWPWAKW-BMGDILEWSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077675241 781479426 /nfs/dbraw/zinc/47/94/26/781479426.db2.gz GMDWAWKWWPWAKW-BMGDILEWSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077675241 781479431 /nfs/dbraw/zinc/47/94/31/781479431.db2.gz GMDWAWKWWPWAKW-BMGDILEWSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077675241 781479434 /nfs/dbraw/zinc/47/94/34/781479434.db2.gz GMDWAWKWWPWAKW-BMGDILEWSA-N 2 2 342.443 0.704 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001070220727 783686355 /nfs/dbraw/zinc/68/63/55/783686355.db2.gz OXYMHWGHEZNMEJ-BMFZPTHFSA-N 2 2 341.419 0.265 20 30 ECEDLP C#CC[NH+]1CC2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070452305 784115868 /nfs/dbraw/zinc/11/58/68/784115868.db2.gz ZFBFMARSDIRUFQ-HNNXBMFYSA-N 2 2 342.447 0.070 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001070553727 784264491 /nfs/dbraw/zinc/26/44/91/784264491.db2.gz CKHCEJUENDCXPC-DOTOQJQBSA-N 2 2 342.447 0.856 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001071000226 784370194 /nfs/dbraw/zinc/37/01/94/784370194.db2.gz TWGROTLRZORAHL-MRXNPFEDSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001071000226 784370202 /nfs/dbraw/zinc/37/02/02/784370202.db2.gz TWGROTLRZORAHL-MRXNPFEDSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001071000226 784370212 /nfs/dbraw/zinc/37/02/12/784370212.db2.gz TWGROTLRZORAHL-MRXNPFEDSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001071000226 784370221 /nfs/dbraw/zinc/37/02/21/784370221.db2.gz TWGROTLRZORAHL-MRXNPFEDSA-N 2 2 334.464 0.002 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)O2 ZINC001071234151 784799582 /nfs/dbraw/zinc/79/95/82/784799582.db2.gz UMQMDXQCCIRHJE-RDTXWAMCSA-N 2 2 330.432 0.976 20 30 ECEDLP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)O2 ZINC001071234151 784799585 /nfs/dbraw/zinc/79/95/85/784799585.db2.gz UMQMDXQCCIRHJE-RDTXWAMCSA-N 2 2 330.432 0.976 20 30 ECEDLP C#CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C(=O)C1 ZINC001071277372 784923735 /nfs/dbraw/zinc/92/37/35/784923735.db2.gz SDZLAIJBTXMHES-SJORKVTESA-N 2 2 346.475 0.097 20 30 ECEDLP C#CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277372 784923736 /nfs/dbraw/zinc/92/37/36/784923736.db2.gz SDZLAIJBTXMHES-SJORKVTESA-N 2 2 346.475 0.097 20 30 ECEDLP C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277372 784923740 /nfs/dbraw/zinc/92/37/40/784923740.db2.gz SDZLAIJBTXMHES-SJORKVTESA-N 2 2 346.475 0.097 20 30 ECEDLP C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277372 784923744 /nfs/dbraw/zinc/92/37/44/784923744.db2.gz SDZLAIJBTXMHES-SJORKVTESA-N 2 2 346.475 0.097 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3OCC[N@@H+](CCCO)[C@H]3C2)CC1 ZINC001074415143 786912942 /nfs/dbraw/zinc/91/29/42/786912942.db2.gz LAPKLCMMYCMKDF-ZWKOTPCHSA-N 2 2 349.475 0.016 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3OCC[N@H+](CCCO)[C@H]3C2)CC1 ZINC001074415143 786912948 /nfs/dbraw/zinc/91/29/48/786912948.db2.gz LAPKLCMMYCMKDF-ZWKOTPCHSA-N 2 2 349.475 0.016 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001075397036 789323508 /nfs/dbraw/zinc/32/35/08/789323508.db2.gz GTUAWRLJONERLD-IAGOWNOFSA-N 2 2 330.432 0.892 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969233 790257399 /nfs/dbraw/zinc/25/73/99/790257399.db2.gz JIIZHCDCFPKMEJ-CVEARBPZSA-N 2 2 342.447 0.271 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069969233 790257403 /nfs/dbraw/zinc/25/74/03/790257403.db2.gz JIIZHCDCFPKMEJ-CVEARBPZSA-N 2 2 342.447 0.271 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2cc(OC)ccn2)CC1 ZINC001266362852 835773559 /nfs/dbraw/zinc/77/35/59/835773559.db2.gz XFGDIKZLINCYEF-UHFFFAOYSA-N 2 2 344.459 0.983 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2cc(OC)ccn2)CC1 ZINC001266362852 835773567 /nfs/dbraw/zinc/77/35/67/835773567.db2.gz XFGDIKZLINCYEF-UHFFFAOYSA-N 2 2 344.459 0.983 20 30 ECEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266693173 836153924 /nfs/dbraw/zinc/15/39/24/836153924.db2.gz QRPOYXAGGGKOSR-OWCLPIDISA-N 2 2 345.447 0.457 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nnnn1C(C)(C)C ZINC001266728744 836208007 /nfs/dbraw/zinc/20/80/07/836208007.db2.gz JZLDHKNSFWEEGU-AWEZNQCLSA-N 2 2 347.467 0.074 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nnnn1C(C)(C)C ZINC001266728744 836208015 /nfs/dbraw/zinc/20/80/15/836208015.db2.gz JZLDHKNSFWEEGU-AWEZNQCLSA-N 2 2 347.467 0.074 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001267066262 836707133 /nfs/dbraw/zinc/70/71/33/836707133.db2.gz CELUBHGVIHRRQN-GJZGRUSLSA-N 2 2 347.463 0.482 20 30 ECEDLP CC[C@@H](C(=O)N(C)CCN1CC[NH+](CC#CCOC)CC1)[NH+](C)C ZINC001267617542 838038544 /nfs/dbraw/zinc/03/85/44/838038544.db2.gz DBCAEONTEHZRAU-KRWDZBQOSA-N 2 2 338.496 0.052 20 30 ECEDLP CC[C@@H](C(=O)N(C)CC[NH+]1CCN(CC#CCOC)CC1)[NH+](C)C ZINC001267617542 838038557 /nfs/dbraw/zinc/03/85/57/838038557.db2.gz DBCAEONTEHZRAU-KRWDZBQOSA-N 2 2 338.496 0.052 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267680212 838237745 /nfs/dbraw/zinc/23/77/45/838237745.db2.gz ZFHSUMXHGIRHKU-MRXNPFEDSA-N 2 2 336.480 0.553 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267680212 838237758 /nfs/dbraw/zinc/23/77/58/838237758.db2.gz ZFHSUMXHGIRHKU-MRXNPFEDSA-N 2 2 336.480 0.553 20 30 ECEDLP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420006700 209274152 /nfs/dbraw/zinc/27/41/52/209274152.db2.gz RERKYDHHNHIPRE-AWEZNQCLSA-N 2 2 343.431 0.056 20 30 ECEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528424069 270008051 /nfs/dbraw/zinc/00/80/51/270008051.db2.gz KIWNQAXYNPCKRP-MRXNPFEDSA-N 2 2 341.415 0.854 20 30 ECEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000529375769 268219728 /nfs/dbraw/zinc/21/97/28/268219728.db2.gz RFHBEVBAGADUKY-QGZVFWFLSA-N 2 2 343.431 0.374 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)OC)CC1 ZINC000490917756 275382951 /nfs/dbraw/zinc/38/29/51/275382951.db2.gz ZFTRCXTYVGRKIE-QAPCUYQASA-N 2 2 335.448 0.475 20 30 ECEDLP CN(C)c1nc(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)cc[nH+]1 ZINC000092797553 436476270 /nfs/dbraw/zinc/47/62/70/436476270.db2.gz WMUSGRMADOUDKL-UHFFFAOYSA-N 2 2 345.451 0.427 20 30 ECEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131246644 436850488 /nfs/dbraw/zinc/85/04/88/436850488.db2.gz MMWBZFZMDWMXBP-DOTOQJQBSA-N 2 2 348.491 0.990 20 30 ECEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131246644 436850492 /nfs/dbraw/zinc/85/04/92/436850492.db2.gz MMWBZFZMDWMXBP-DOTOQJQBSA-N 2 2 348.491 0.990 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000293979504 436925396 /nfs/dbraw/zinc/92/53/96/436925396.db2.gz MUBYSAXGGZZMTA-UHFFFAOYSA-N 2 2 329.448 0.275 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000293979504 436925399 /nfs/dbraw/zinc/92/53/99/436925399.db2.gz MUBYSAXGGZZMTA-UHFFFAOYSA-N 2 2 329.448 0.275 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCC[C@@H](CC(N)=O)C1 ZINC000261663240 436880418 /nfs/dbraw/zinc/88/04/18/436880418.db2.gz BDVXGTAZWKYBML-LBPRGKRZSA-N 2 2 335.456 0.149 20 30 ECEDLP C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261958211 436898693 /nfs/dbraw/zinc/89/86/93/436898693.db2.gz JJKGFDSXXDYBMT-GXTWGEPZSA-N 2 2 330.440 0.979 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000281404584 436966039 /nfs/dbraw/zinc/96/60/39/436966039.db2.gz XTNWBABTWAKJSO-MRXNPFEDSA-N 2 2 344.463 0.447 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000281404584 436966043 /nfs/dbraw/zinc/96/60/43/436966043.db2.gz XTNWBABTWAKJSO-MRXNPFEDSA-N 2 2 344.463 0.447 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000296921438 436998824 /nfs/dbraw/zinc/99/88/24/436998824.db2.gz OHBZFFAMTWQNKL-UHFFFAOYSA-N 2 2 329.448 0.864 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000296921438 436998828 /nfs/dbraw/zinc/99/88/28/436998828.db2.gz OHBZFFAMTWQNKL-UHFFFAOYSA-N 2 2 329.448 0.864 20 30 ECEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000265001003 437101921 /nfs/dbraw/zinc/10/19/21/437101921.db2.gz WCJJISOIGMAXCG-HNNXBMFYSA-N 2 2 339.509 0.848 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(CO)C[C@H](C)CC(C)(C)C2)CC1 ZINC000304685873 437158334 /nfs/dbraw/zinc/15/83/34/437158334.db2.gz GCBWWKKWXDDLSV-VQIMIIECSA-N 2 2 335.492 0.931 20 30 ECEDLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000329390080 437361435 /nfs/dbraw/zinc/36/14/35/437361435.db2.gz USYMCQMPSYHJEE-HNNXBMFYSA-N 2 2 325.501 0.999 20 30 ECEDLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000329390080 437361438 /nfs/dbraw/zinc/36/14/38/437361438.db2.gz USYMCQMPSYHJEE-HNNXBMFYSA-N 2 2 325.501 0.999 20 30 ECEDLP CN(C)c1ccc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)c[nH+]1 ZINC000330975504 437662331 /nfs/dbraw/zinc/66/23/31/437662331.db2.gz HOHHRIYQLLWILT-UHFFFAOYSA-N 2 2 335.452 0.950 20 30 ECEDLP C=CCCn1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000424650566 437982018 /nfs/dbraw/zinc/98/20/18/437982018.db2.gz CCXBTFQXZIPKMY-UHFFFAOYSA-N 2 2 334.468 0.952 20 30 ECEDLP C=CCCn1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000424650566 437982024 /nfs/dbraw/zinc/98/20/24/437982024.db2.gz CCXBTFQXZIPKMY-UHFFFAOYSA-N 2 2 334.468 0.952 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376865119 438295883 /nfs/dbraw/zinc/29/58/83/438295883.db2.gz UFFHHEWBHUMRJB-MRXNPFEDSA-N 2 2 335.496 0.849 20 30 ECEDLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000563000199 438858325 /nfs/dbraw/zinc/85/83/25/438858325.db2.gz RUJXESJCVDKARE-OAHLLOKOSA-N 2 2 326.485 0.672 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC3(C#N)CCOCC3)C2)CC1 ZINC000597215927 439058330 /nfs/dbraw/zinc/05/83/30/439058330.db2.gz PVWXVEBSEAODLY-HNNXBMFYSA-N 2 2 334.464 0.982 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC3(C#N)CCOCC3)C2)CC1 ZINC000597215927 439058332 /nfs/dbraw/zinc/05/83/32/439058332.db2.gz PVWXVEBSEAODLY-HNNXBMFYSA-N 2 2 334.464 0.982 20 30 ECEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000602878133 439149948 /nfs/dbraw/zinc/14/99/48/439149948.db2.gz WASMSXMYZKGPMH-IEBWSBKVSA-N 2 2 347.459 0.881 20 30 ECEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000602878133 439149954 /nfs/dbraw/zinc/14/99/54/439149954.db2.gz WASMSXMYZKGPMH-IEBWSBKVSA-N 2 2 347.459 0.881 20 30 ECEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC3(C#N)CCC3)C2)CC1 ZINC000527127962 439255692 /nfs/dbraw/zinc/25/56/92/439255692.db2.gz HWTKZMHMUAHGBY-INIZCTEOSA-N 2 2 333.480 0.649 20 30 ECEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)CC1 ZINC000527127962 439255697 /nfs/dbraw/zinc/25/56/97/439255697.db2.gz HWTKZMHMUAHGBY-INIZCTEOSA-N 2 2 333.480 0.649 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CONC(=[NH2+])COc2ccccc2F)CC1 ZINC000491037273 439324760 /nfs/dbraw/zinc/32/47/60/439324760.db2.gz CQTDDZCVGJMOGF-UHFFFAOYSA-N 2 2 348.378 0.480 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000490760460 439295468 /nfs/dbraw/zinc/29/54/68/439295468.db2.gz LTIGPZHUKOCWRR-INIZCTEOSA-N 2 2 343.427 0.536 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000490760460 439295474 /nfs/dbraw/zinc/29/54/74/439295474.db2.gz LTIGPZHUKOCWRR-INIZCTEOSA-N 2 2 343.427 0.536 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](OCc3ccncc3)C2)CC1 ZINC000491676220 439426014 /nfs/dbraw/zinc/42/60/14/439426014.db2.gz YWSJGUSQPFOCEV-SFHVURJKSA-N 2 2 342.443 0.450 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](OCc3ccncc3)C2)CC1 ZINC000491676220 439426020 /nfs/dbraw/zinc/42/60/20/439426020.db2.gz YWSJGUSQPFOCEV-SFHVURJKSA-N 2 2 342.443 0.450 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491714643 439433270 /nfs/dbraw/zinc/43/32/70/439433270.db2.gz GZLCFGBZOXOCSK-GXTWGEPZSA-N 2 2 333.354 0.009 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491714643 439433273 /nfs/dbraw/zinc/43/32/73/439433273.db2.gz GZLCFGBZOXOCSK-GXTWGEPZSA-N 2 2 333.354 0.009 20 30 ECEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599333912 439438015 /nfs/dbraw/zinc/43/80/15/439438015.db2.gz BQYWOTSSFMVNBS-OAHLLOKOSA-N 2 2 333.436 0.613 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000491792411 439450310 /nfs/dbraw/zinc/45/03/10/439450310.db2.gz FUIOWMBCLBUNNW-AZUAARDMSA-N 2 2 340.471 0.799 20 30 ECEDLP C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000648779762 440327151 /nfs/dbraw/zinc/32/71/51/440327151.db2.gz DRBJRUUYFYKAQJ-OAHLLOKOSA-N 2 2 332.452 0.705 20 30 ECEDLP C=CCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000648779762 440327154 /nfs/dbraw/zinc/32/71/54/440327154.db2.gz DRBJRUUYFYKAQJ-OAHLLOKOSA-N 2 2 332.452 0.705 20 30 ECEDLP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC000545273229 322107968 /nfs/dbraw/zinc/10/79/68/322107968.db2.gz RSFYLSNKLHDBNM-CYBMUJFWSA-N 2 2 333.440 0.195 20 30 ECEDLP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC000545273229 322107970 /nfs/dbraw/zinc/10/79/70/322107970.db2.gz RSFYLSNKLHDBNM-CYBMUJFWSA-N 2 2 333.440 0.195 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1COCCO1 ZINC000329128573 546014652 /nfs/dbraw/zinc/01/46/52/546014652.db2.gz VMAFXCNJBDEYCA-HNNXBMFYSA-N 2 2 328.457 0.274 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1COCCO1 ZINC000329128573 546014653 /nfs/dbraw/zinc/01/46/53/546014653.db2.gz VMAFXCNJBDEYCA-HNNXBMFYSA-N 2 2 328.457 0.274 20 30 ECEDLP CC[N@@H+]1CCC(=NNC(=S)NCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000741457550 579774697 /nfs/dbraw/zinc/77/46/97/579774697.db2.gz MVFSUHJDQCDMJY-CYBMUJFWSA-N 2 2 327.498 0.500 20 30 ECEDLP CC[N@H+]1CCC(=NNC(=S)NCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000741457550 579774699 /nfs/dbraw/zinc/77/46/99/579774699.db2.gz MVFSUHJDQCDMJY-CYBMUJFWSA-N 2 2 327.498 0.500 20 30 ECEDLP C#CC[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000843076348 589049522 /nfs/dbraw/zinc/04/95/22/589049522.db2.gz GRWBRMWHWCBFIJ-WMZOPIPTSA-N 2 2 347.459 0.152 20 30 ECEDLP C#CCCS(=O)(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000827751809 588139087 /nfs/dbraw/zinc/13/90/87/588139087.db2.gz BPHHIGHIEUVWPE-UHFFFAOYSA-N 2 2 327.494 0.832 20 30 ECEDLP C#CCCS(=O)(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000827751809 588139089 /nfs/dbraw/zinc/13/90/89/588139089.db2.gz BPHHIGHIEUVWPE-UHFFFAOYSA-N 2 2 327.494 0.832 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000844369942 589109448 /nfs/dbraw/zinc/10/94/48/589109448.db2.gz OUJRHMBRABUSEW-SFHVURJKSA-N 2 2 340.427 0.301 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000844369942 589109449 /nfs/dbraw/zinc/10/94/49/589109449.db2.gz OUJRHMBRABUSEW-SFHVURJKSA-N 2 2 340.427 0.301 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000844369940 589109555 /nfs/dbraw/zinc/10/95/55/589109555.db2.gz OUJRHMBRABUSEW-GOSISDBHSA-N 2 2 340.427 0.301 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000844369940 589109557 /nfs/dbraw/zinc/10/95/57/589109557.db2.gz OUJRHMBRABUSEW-GOSISDBHSA-N 2 2 340.427 0.301 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](N(C)c3ccccc3)C2)CC1 ZINC000852654651 589504877 /nfs/dbraw/zinc/50/48/77/589504877.db2.gz MCAYFEKGEMZGKQ-LJQANCHMSA-N 2 2 340.471 0.975 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)CC1 ZINC000852654651 589504879 /nfs/dbraw/zinc/50/48/79/589504879.db2.gz MCAYFEKGEMZGKQ-LJQANCHMSA-N 2 2 340.471 0.975 20 30 ECEDLP C#CCC[N@@H+](CCOC)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000852752397 589510390 /nfs/dbraw/zinc/51/03/90/589510390.db2.gz WVDVFKPRRFFDJI-UHFFFAOYSA-N 2 2 325.453 0.185 20 30 ECEDLP C#CCC[N@H+](CCOC)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000852752397 589510392 /nfs/dbraw/zinc/51/03/92/589510392.db2.gz WVDVFKPRRFFDJI-UHFFFAOYSA-N 2 2 325.453 0.185 20 30 ECEDLP CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000852913073 589525406 /nfs/dbraw/zinc/52/54/06/589525406.db2.gz MMMFYNNDNKQZSA-GOSISDBHSA-N 3 2 332.492 0.616 20 30 ECEDLP CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000852913073 589525408 /nfs/dbraw/zinc/52/54/08/589525408.db2.gz MMMFYNNDNKQZSA-GOSISDBHSA-N 3 2 332.492 0.616 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)CC1 ZINC000855115262 589620371 /nfs/dbraw/zinc/62/03/71/589620371.db2.gz UGHNKUDLRSLHCA-HNNXBMFYSA-N 2 2 332.448 0.941 20 30 ECEDLP Cc1cc[nH+]c(N)c1C=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000872331034 590115334 /nfs/dbraw/zinc/11/53/34/590115334.db2.gz ZZARMMGYXXPLBL-UHFFFAOYSA-N 2 2 336.465 0.493 20 30 ECEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586915 590326512 /nfs/dbraw/zinc/32/65/12/590326512.db2.gz YVKXBDHBFKGSNL-SFHVURJKSA-N 2 2 332.448 0.619 20 30 ECEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586915 590326513 /nfs/dbraw/zinc/32/65/13/590326513.db2.gz YVKXBDHBFKGSNL-SFHVURJKSA-N 2 2 332.448 0.619 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CCC(=O)OC)C2)CC1 ZINC000880039304 590362989 /nfs/dbraw/zinc/36/29/89/590362989.db2.gz IOYUBSGDWHVVLN-MRXNPFEDSA-N 2 2 335.448 0.429 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CCC(=O)OC)C2)CC1 ZINC000880039304 590362992 /nfs/dbraw/zinc/36/29/92/590362992.db2.gz IOYUBSGDWHVVLN-MRXNPFEDSA-N 2 2 335.448 0.429 20 30 ECEDLP N#CC1(C[C@H](O)C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC1 ZINC000885986039 590784891 /nfs/dbraw/zinc/78/48/91/590784891.db2.gz XBBXRFWYJYCUMX-INIZCTEOSA-N 2 2 334.464 0.671 20 30 ECEDLP Cc1nc(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)cc[nH+]1 ZINC000884316180 590803479 /nfs/dbraw/zinc/80/34/79/590803479.db2.gz LQKLCGITQYHJGT-SWKXRBFHSA-N 2 2 340.431 0.573 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000884446111 590830488 /nfs/dbraw/zinc/83/04/88/590830488.db2.gz HJWMCAXNKTYBAS-GJZGRUSLSA-N 2 2 339.436 0.050 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC000135573151 590928672 /nfs/dbraw/zinc/92/86/72/590928672.db2.gz YBNBVIQSDNHXKU-MRXNPFEDSA-N 2 2 329.448 0.507 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC000135573151 590928675 /nfs/dbraw/zinc/92/86/75/590928675.db2.gz YBNBVIQSDNHXKU-MRXNPFEDSA-N 2 2 329.448 0.507 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000890362816 591150332 /nfs/dbraw/zinc/15/03/32/591150332.db2.gz IFOJQPSYYXQKSE-CABCVRRESA-N 2 2 347.463 0.877 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000890362816 591150334 /nfs/dbraw/zinc/15/03/34/591150334.db2.gz IFOJQPSYYXQKSE-CABCVRRESA-N 2 2 347.463 0.877 20 30 ECEDLP C#CC1(O)CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000931147504 611511539 /nfs/dbraw/zinc/51/15/39/611511539.db2.gz VLDZYWLTAFNERO-MRXNPFEDSA-N 2 2 342.443 0.579 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000923595527 609801051 /nfs/dbraw/zinc/80/10/51/609801051.db2.gz UQZZMFCVVHSUST-CVEARBPZSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000923595527 609801054 /nfs/dbraw/zinc/80/10/54/609801054.db2.gz UQZZMFCVVHSUST-CVEARBPZSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000923595527 609801057 /nfs/dbraw/zinc/80/10/57/609801057.db2.gz UQZZMFCVVHSUST-CVEARBPZSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000923595527 609801059 /nfs/dbraw/zinc/80/10/59/609801059.db2.gz UQZZMFCVVHSUST-CVEARBPZSA-N 2 2 335.448 0.475 20 30 ECEDLP C=C1[C@@H](C(=O)N2CC[NH+](CC)CC2)[C@@H]1C(=O)N1CC[NH+](CC)CC1 ZINC000033510327 610001609 /nfs/dbraw/zinc/00/16/09/610001609.db2.gz QQRMUHPWGQCVHA-HZPDHXFCSA-N 2 2 334.464 0.117 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941436675 610314452 /nfs/dbraw/zinc/31/44/52/610314452.db2.gz ATESEZHCXWPNIF-QGZVFWFLSA-N 2 2 341.459 0.612 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941436940 610314580 /nfs/dbraw/zinc/31/45/80/610314580.db2.gz LXBZHQJXZVODIZ-KRWDZBQOSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941436940 610314582 /nfs/dbraw/zinc/31/45/82/610314582.db2.gz LXBZHQJXZVODIZ-KRWDZBQOSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)C1 ZINC000941450942 610325425 /nfs/dbraw/zinc/32/54/25/610325425.db2.gz GNEOVZDSOPYTKF-UHFFFAOYSA-N 2 2 343.475 0.778 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941471402 610330035 /nfs/dbraw/zinc/33/00/35/610330035.db2.gz ZPUJDCYRKORLEI-LJQANCHMSA-N 2 2 346.519 0.959 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000941471402 610330037 /nfs/dbraw/zinc/33/00/37/610330037.db2.gz ZPUJDCYRKORLEI-LJQANCHMSA-N 2 2 346.519 0.959 20 30 ECEDLP C=C(C)CC[NH+]1CC(N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000941638807 610423817 /nfs/dbraw/zinc/42/38/17/610423817.db2.gz HHDZMNWRZYQZKO-UHFFFAOYSA-N 2 2 331.464 0.757 20 30 ECEDLP C=CCC[NH+]1CC(N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC000941655678 610430291 /nfs/dbraw/zinc/43/02/91/610430291.db2.gz ZAMWHUOBLGLISC-UHFFFAOYSA-N 2 2 331.464 0.757 20 30 ECEDLP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000970198464 733180448 /nfs/dbraw/zinc/18/04/48/733180448.db2.gz LBYFBPOFFGLZFL-UAGQMJEPSA-N 2 2 337.464 0.489 20 30 ECEDLP C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971271041 734414702 /nfs/dbraw/zinc/41/47/02/734414702.db2.gz JNPIWEYQPFNYCH-BBRMVZONSA-N 2 2 348.472 0.983 20 30 ECEDLP C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971271041 734414706 /nfs/dbraw/zinc/41/47/06/734414706.db2.gz JNPIWEYQPFNYCH-BBRMVZONSA-N 2 2 348.472 0.983 20 30 ECEDLP C[NH+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971271041 734414709 /nfs/dbraw/zinc/41/47/09/734414709.db2.gz JNPIWEYQPFNYCH-BBRMVZONSA-N 2 2 348.472 0.983 20 30 ECEDLP C[NH+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971271041 734414714 /nfs/dbraw/zinc/41/47/14/734414714.db2.gz JNPIWEYQPFNYCH-BBRMVZONSA-N 2 2 348.472 0.983 20 30 ECEDLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078174588 782429233 /nfs/dbraw/zinc/42/92/33/782429233.db2.gz PVMUDOWHDOZTJK-NILFDRSVSA-N 2 2 334.445 0.233 20 30 ECEDLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078174588 782429240 /nfs/dbraw/zinc/42/92/40/782429240.db2.gz PVMUDOWHDOZTJK-NILFDRSVSA-N 2 2 334.445 0.233 20 30 ECEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078174588 782429245 /nfs/dbraw/zinc/42/92/45/782429245.db2.gz PVMUDOWHDOZTJK-NILFDRSVSA-N 2 2 334.445 0.233 20 30 ECEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078174588 782429252 /nfs/dbraw/zinc/42/92/52/782429252.db2.gz PVMUDOWHDOZTJK-NILFDRSVSA-N 2 2 334.445 0.233 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2nccnc2C)C1 ZINC000971703368 734965000 /nfs/dbraw/zinc/96/50/00/734965000.db2.gz FUGKAPCZUKXTJF-WMZOPIPTSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2nccnc2C)C1 ZINC000971703368 734965001 /nfs/dbraw/zinc/96/50/01/734965001.db2.gz FUGKAPCZUKXTJF-WMZOPIPTSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2nccnc2C)C1 ZINC000971703368 734965004 /nfs/dbraw/zinc/96/50/04/734965004.db2.gz FUGKAPCZUKXTJF-WMZOPIPTSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2nccnc2C)C1 ZINC000971703368 734965007 /nfs/dbraw/zinc/96/50/07/734965007.db2.gz FUGKAPCZUKXTJF-WMZOPIPTSA-N 2 2 341.459 0.915 20 30 ECEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC000972386699 736057109 /nfs/dbraw/zinc/05/71/09/736057109.db2.gz GWTXLNKBCPIOOC-GOSISDBHSA-N 2 2 347.463 0.548 20 30 ECEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC000972386699 736057113 /nfs/dbraw/zinc/05/71/13/736057113.db2.gz GWTXLNKBCPIOOC-GOSISDBHSA-N 2 2 347.463 0.548 20 30 ECEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000972410579 736144108 /nfs/dbraw/zinc/14/41/08/736144108.db2.gz SRZYBEYUFKOVMI-IEBWSBKVSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000972410579 736144110 /nfs/dbraw/zinc/14/41/10/736144110.db2.gz SRZYBEYUFKOVMI-IEBWSBKVSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000972410579 736144113 /nfs/dbraw/zinc/14/41/13/736144113.db2.gz SRZYBEYUFKOVMI-IEBWSBKVSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000972410579 736144115 /nfs/dbraw/zinc/14/41/15/736144115.db2.gz SRZYBEYUFKOVMI-IEBWSBKVSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C[C@H](C)O2 ZINC001098577377 736914516 /nfs/dbraw/zinc/91/45/16/736914516.db2.gz CTTDLOQVFDBRIC-JKSUJKDBSA-N 2 2 335.448 0.032 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C[C@H](C)O2 ZINC001098577377 736914517 /nfs/dbraw/zinc/91/45/17/736914517.db2.gz CTTDLOQVFDBRIC-JKSUJKDBSA-N 2 2 335.448 0.032 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001023510307 736940703 /nfs/dbraw/zinc/94/07/03/736940703.db2.gz HOPMICBYFCRPFC-ROUUACIJSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001023510307 736940708 /nfs/dbraw/zinc/94/07/08/736940708.db2.gz HOPMICBYFCRPFC-ROUUACIJSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001023510307 736940714 /nfs/dbraw/zinc/94/07/14/736940714.db2.gz HOPMICBYFCRPFC-ROUUACIJSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001023510307 736940718 /nfs/dbraw/zinc/94/07/18/736940718.db2.gz HOPMICBYFCRPFC-ROUUACIJSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972617112 737105295 /nfs/dbraw/zinc/10/52/95/737105295.db2.gz MLRHRBWPDMHLLO-SFHVURJKSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972617112 737105296 /nfs/dbraw/zinc/10/52/96/737105296.db2.gz MLRHRBWPDMHLLO-SFHVURJKSA-N 2 2 335.448 0.034 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001024178735 737800758 /nfs/dbraw/zinc/80/07/58/737800758.db2.gz DGWXNZGJDNOAGL-HOCLYGCPSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001024285922 737872935 /nfs/dbraw/zinc/87/29/35/737872935.db2.gz OYLDPUGYQPKRGW-CVEARBPZSA-N 2 2 345.447 0.498 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC=C)nn2)C1 ZINC001105262054 741587490 /nfs/dbraw/zinc/58/74/90/741587490.db2.gz CNTQICHRCAYAJT-INIZCTEOSA-N 2 2 328.420 0.035 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC=C)nn2)C1 ZINC001105262054 741587491 /nfs/dbraw/zinc/58/74/91/741587491.db2.gz CNTQICHRCAYAJT-INIZCTEOSA-N 2 2 328.420 0.035 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)c3occc3C[NH+](C)C)C2)nn1 ZINC001105314340 741735100 /nfs/dbraw/zinc/73/51/00/741735100.db2.gz QDEHUTJVNMRPAR-UHFFFAOYSA-N 2 2 342.403 0.353 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)nn1 ZINC001105326946 741805314 /nfs/dbraw/zinc/80/53/14/741805314.db2.gz MXFISEPPIZTJHQ-QGZVFWFLSA-N 2 2 346.479 0.895 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2noc(CC)n2)C1 ZINC001026893812 742038853 /nfs/dbraw/zinc/03/88/53/742038853.db2.gz OHEAGETXNKPICP-GJZGRUSLSA-N 2 2 345.447 0.668 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2noc(CC)n2)C1 ZINC001026893812 742038859 /nfs/dbraw/zinc/03/88/59/742038859.db2.gz OHEAGETXNKPICP-GJZGRUSLSA-N 2 2 345.447 0.668 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cnsn2)C1 ZINC001026894046 742039721 /nfs/dbraw/zinc/03/97/21/742039721.db2.gz UQLWTKDUQYQCJB-HIFRSBDPSA-N 2 2 333.461 0.574 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3cnns3)C2)CC1 ZINC001029003524 743159126 /nfs/dbraw/zinc/15/91/26/743159126.db2.gz NAOCGSGALNQJGU-AWEZNQCLSA-N 2 2 347.488 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnns3)C2)CC1 ZINC001029003524 743159132 /nfs/dbraw/zinc/15/91/32/743159132.db2.gz NAOCGSGALNQJGU-AWEZNQCLSA-N 2 2 347.488 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C2)CC1 ZINC001029004430 743162903 /nfs/dbraw/zinc/16/29/03/743162903.db2.gz XGOGQUWEIPZKKI-HNNXBMFYSA-N 2 2 344.463 0.396 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3nnc(C)[nH]3)C2)CC1 ZINC001029004430 743162905 /nfs/dbraw/zinc/16/29/05/743162905.db2.gz XGOGQUWEIPZKKI-HNNXBMFYSA-N 2 2 344.463 0.396 20 30 ECEDLP C[NH+]=C(NCc1nnc(C)n1C)NC1CCN(c2cccc[nH+]2)CC1 ZINC000261979616 743255899 /nfs/dbraw/zinc/25/58/99/743255899.db2.gz ONGRLDZWFXSJAW-UHFFFAOYSA-N 2 2 342.451 0.853 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998814131 744357359 /nfs/dbraw/zinc/35/73/59/744357359.db2.gz XWRSURVGVJITFZ-QWHCGFSZSA-N 2 2 346.269 0.806 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998814131 744357365 /nfs/dbraw/zinc/35/73/65/744357365.db2.gz XWRSURVGVJITFZ-QWHCGFSZSA-N 2 2 346.269 0.806 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000998821971 744360106 /nfs/dbraw/zinc/36/01/06/744360106.db2.gz FNFHTOZYQBUFLH-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000998821971 744360110 /nfs/dbraw/zinc/36/01/10/744360110.db2.gz FNFHTOZYQBUFLH-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000998821968 744360184 /nfs/dbraw/zinc/36/01/84/744360184.db2.gz FNFHTOZYQBUFLH-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000998821968 744360188 /nfs/dbraw/zinc/36/01/88/744360188.db2.gz FNFHTOZYQBUFLH-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H](CC)C(N)=O)CC1 ZINC001000788645 745764506 /nfs/dbraw/zinc/76/45/06/745764506.db2.gz WZNXFGXGLYNDOG-HOTGVXAUSA-N 2 2 332.448 0.096 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H](CC)C(N)=O)CC1 ZINC001000788645 745764510 /nfs/dbraw/zinc/76/45/10/745764510.db2.gz WZNXFGXGLYNDOG-HOTGVXAUSA-N 2 2 332.448 0.096 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC001000788645 745764513 /nfs/dbraw/zinc/76/45/13/745764513.db2.gz WZNXFGXGLYNDOG-HOTGVXAUSA-N 2 2 332.448 0.096 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC001000788645 745764517 /nfs/dbraw/zinc/76/45/17/745764517.db2.gz WZNXFGXGLYNDOG-HOTGVXAUSA-N 2 2 332.448 0.096 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001000792693 745771297 /nfs/dbraw/zinc/77/12/97/745771297.db2.gz BWVWZSBRYJMVHR-GJZGRUSLSA-N 2 2 345.447 0.628 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C)o3)C2)CC1 ZINC001000990665 745956969 /nfs/dbraw/zinc/95/69/69/745956969.db2.gz CXNVNPJJBZDZRJ-MRXNPFEDSA-N 2 2 345.447 0.804 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC000985074678 747325986 /nfs/dbraw/zinc/32/59/86/747325986.db2.gz ZCYVWAVIKSPSGL-KKUMJFAQSA-N 2 2 345.447 0.532 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC001002522157 747466639 /nfs/dbraw/zinc/46/66/39/747466639.db2.gz IEHZQWFOBGBSLI-IBGZPJMESA-N 2 2 341.455 0.949 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC001002522157 747466642 /nfs/dbraw/zinc/46/66/42/747466642.db2.gz IEHZQWFOBGBSLI-IBGZPJMESA-N 2 2 341.455 0.949 20 30 ECEDLP C#CC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001088230874 747783486 /nfs/dbraw/zinc/78/34/86/747783486.db2.gz BKTIHPOLTVJPGS-MSOLQXFVSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001088230874 747783493 /nfs/dbraw/zinc/78/34/93/747783493.db2.gz BKTIHPOLTVJPGS-MSOLQXFVSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001088230874 747783497 /nfs/dbraw/zinc/78/34/97/747783497.db2.gz BKTIHPOLTVJPGS-MSOLQXFVSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001088230874 747783501 /nfs/dbraw/zinc/78/35/01/747783501.db2.gz BKTIHPOLTVJPGS-MSOLQXFVSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001003056225 748125277 /nfs/dbraw/zinc/12/52/77/748125277.db2.gz NOWFLEJEGZNKOV-KRWDZBQOSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cncn2C)CC1 ZINC001003056225 748125282 /nfs/dbraw/zinc/12/52/82/748125282.db2.gz NOWFLEJEGZNKOV-KRWDZBQOSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001003057463 748126500 /nfs/dbraw/zinc/12/65/00/748126500.db2.gz ZGAABHNCSSLXPO-YOEHRIQHSA-N 2 2 346.475 0.332 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001003057463 748126503 /nfs/dbraw/zinc/12/65/03/748126503.db2.gz ZGAABHNCSSLXPO-YOEHRIQHSA-N 2 2 346.475 0.332 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2nonc2C)CC1 ZINC000985475339 748215975 /nfs/dbraw/zinc/21/59/75/748215975.db2.gz KNAJCRHZCSMEPF-KRWDZBQOSA-N 2 2 345.447 0.898 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2nonc2C)CC1 ZINC000985475339 748215983 /nfs/dbraw/zinc/21/59/83/748215983.db2.gz KNAJCRHZCSMEPF-KRWDZBQOSA-N 2 2 345.447 0.898 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2nonc2C)CC1 ZINC000985475339 748215991 /nfs/dbraw/zinc/21/59/91/748215991.db2.gz KNAJCRHZCSMEPF-KRWDZBQOSA-N 2 2 345.447 0.898 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2nonc2C)CC1 ZINC000985475339 748215998 /nfs/dbraw/zinc/21/59/98/748215998.db2.gz KNAJCRHZCSMEPF-KRWDZBQOSA-N 2 2 345.447 0.898 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nccn2C)C1 ZINC001029757651 748267919 /nfs/dbraw/zinc/26/79/19/748267919.db2.gz FTHPDLBCZZHBJK-SJORKVTESA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2nccn2C)C1 ZINC001029757651 748267925 /nfs/dbraw/zinc/26/79/25/748267925.db2.gz FTHPDLBCZZHBJK-SJORKVTESA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2nccn2C)C1 ZINC001029757651 748267931 /nfs/dbraw/zinc/26/79/31/748267931.db2.gz FTHPDLBCZZHBJK-SJORKVTESA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2nccn2C)C1 ZINC001029757651 748267935 /nfs/dbraw/zinc/26/79/35/748267935.db2.gz FTHPDLBCZZHBJK-SJORKVTESA-N 2 2 343.475 0.798 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC000985714319 748940531 /nfs/dbraw/zinc/94/05/31/748940531.db2.gz AVFPTAOAJFDLGH-HNNXBMFYSA-N 2 2 345.447 0.662 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC000985714319 748940534 /nfs/dbraw/zinc/94/05/34/748940534.db2.gz AVFPTAOAJFDLGH-HNNXBMFYSA-N 2 2 345.447 0.662 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000981459244 750716378 /nfs/dbraw/zinc/71/63/78/750716378.db2.gz PQCWYMMICDDBHX-SJORKVTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000981459244 750716380 /nfs/dbraw/zinc/71/63/80/750716380.db2.gz PQCWYMMICDDBHX-SJORKVTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1=O ZINC000981459244 750716381 /nfs/dbraw/zinc/71/63/81/750716381.db2.gz PQCWYMMICDDBHX-SJORKVTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1=O ZINC000981459244 750716382 /nfs/dbraw/zinc/71/63/82/750716382.db2.gz PQCWYMMICDDBHX-SJORKVTESA-N 2 2 348.491 0.792 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC001007518519 752474459 /nfs/dbraw/zinc/47/44/59/752474459.db2.gz CGKBFLBMFMOBCN-AEFFLSMTSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC001007518519 752474467 /nfs/dbraw/zinc/47/44/67/752474467.db2.gz CGKBFLBMFMOBCN-AEFFLSMTSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCc2ccnn2C)C1 ZINC001007518519 752474482 /nfs/dbraw/zinc/47/44/82/752474482.db2.gz CGKBFLBMFMOBCN-AEFFLSMTSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC001028601043 753876729 /nfs/dbraw/zinc/87/67/29/753876729.db2.gz HUSWZARYISJZRU-AEFFLSMTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnc(C)nc2)C1 ZINC001028601043 753876736 /nfs/dbraw/zinc/87/67/36/753876736.db2.gz HUSWZARYISJZRU-AEFFLSMTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001028601043 753876741 /nfs/dbraw/zinc/87/67/41/753876741.db2.gz HUSWZARYISJZRU-AEFFLSMTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cnc(C)nc2)C1 ZINC001028601043 753876746 /nfs/dbraw/zinc/87/67/46/753876746.db2.gz HUSWZARYISJZRU-AEFFLSMTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC001028603602 753896026 /nfs/dbraw/zinc/89/60/26/753896026.db2.gz DXLSXSNQZGFINY-WMZOPIPTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC001028603602 753896030 /nfs/dbraw/zinc/89/60/30/753896030.db2.gz DXLSXSNQZGFINY-WMZOPIPTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001028603602 753896038 /nfs/dbraw/zinc/89/60/38/753896038.db2.gz DXLSXSNQZGFINY-WMZOPIPTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cnc(C)cn2)C1 ZINC001028603602 753896042 /nfs/dbraw/zinc/89/60/42/753896042.db2.gz DXLSXSNQZGFINY-WMZOPIPTSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001105376903 754066357 /nfs/dbraw/zinc/06/63/57/754066357.db2.gz KJVFLJKJGFJCQQ-INIZCTEOSA-N 2 2 330.436 0.259 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710296 754788847 /nfs/dbraw/zinc/78/88/47/754788847.db2.gz TYJYLMDAQYMJAB-KSZLIROESA-N 2 2 349.475 0.328 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710296 754788849 /nfs/dbraw/zinc/78/88/49/754788849.db2.gz TYJYLMDAQYMJAB-KSZLIROESA-N 2 2 349.475 0.328 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001009630430 755092128 /nfs/dbraw/zinc/09/21/28/755092128.db2.gz VMBWSGNACVWNKO-INIZCTEOSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001009630430 755092131 /nfs/dbraw/zinc/09/21/31/755092131.db2.gz VMBWSGNACVWNKO-INIZCTEOSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1O ZINC001083535902 755976394 /nfs/dbraw/zinc/97/63/94/755976394.db2.gz SPDNACGCCLGNGM-SQNIBIBYSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@@H]1O ZINC001083535902 755976395 /nfs/dbraw/zinc/97/63/95/755976395.db2.gz SPDNACGCCLGNGM-SQNIBIBYSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@@H]1O ZINC001083535902 755976397 /nfs/dbraw/zinc/97/63/97/755976397.db2.gz SPDNACGCCLGNGM-SQNIBIBYSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@@H]1O ZINC001083535902 755976399 /nfs/dbraw/zinc/97/63/99/755976399.db2.gz SPDNACGCCLGNGM-SQNIBIBYSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+]3CC[C@H](C)C3)nn2)C1 ZINC001107210699 757692865 /nfs/dbraw/zinc/69/28/65/757692865.db2.gz DFTASPLZBZAFRW-AWEZNQCLSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+]3CC[C@H](C)C3)nn2)C1 ZINC001107210699 757692867 /nfs/dbraw/zinc/69/28/67/757692867.db2.gz DFTASPLZBZAFRW-AWEZNQCLSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(OC)no2)C1 ZINC001022221085 758443211 /nfs/dbraw/zinc/44/32/11/758443211.db2.gz XFPVRTNZEFULQN-GUTXKFCHSA-N 2 2 332.404 0.518 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(OC)no2)C1 ZINC001022221085 758443215 /nfs/dbraw/zinc/44/32/15/758443215.db2.gz XFPVRTNZEFULQN-GUTXKFCHSA-N 2 2 332.404 0.518 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3conc3C)C2)CC1 ZINC001032205190 759610690 /nfs/dbraw/zinc/61/06/90/759610690.db2.gz QVALYMHTAACVSB-UHFFFAOYSA-N 2 2 330.432 0.876 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCN2CCCC2=O)C1 ZINC001014777679 763137312 /nfs/dbraw/zinc/13/73/12/763137312.db2.gz APAFGTMZPUAWCH-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCN2CCCC2=O)C1 ZINC001014777679 763137319 /nfs/dbraw/zinc/13/73/19/763137319.db2.gz APAFGTMZPUAWCH-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCN2CCCC2=O)C1 ZINC001014777679 763137322 /nfs/dbraw/zinc/13/73/22/763137322.db2.gz APAFGTMZPUAWCH-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCN2CCCC2=O)C1 ZINC001014777679 763137329 /nfs/dbraw/zinc/13/73/29/763137329.db2.gz APAFGTMZPUAWCH-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001052000067 763556440 /nfs/dbraw/zinc/55/64/40/763556440.db2.gz KXTKDMPCHRGIHL-IRXDYDNUSA-N 2 2 336.480 0.112 20 30 ECEDLP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001052000067 763556444 /nfs/dbraw/zinc/55/64/44/763556444.db2.gz KXTKDMPCHRGIHL-IRXDYDNUSA-N 2 2 336.480 0.112 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001052025434 763616205 /nfs/dbraw/zinc/61/62/05/763616205.db2.gz DIDAOYHXCSENED-ZWKOTPCHSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001052025434 763616209 /nfs/dbraw/zinc/61/62/09/763616209.db2.gz DIDAOYHXCSENED-ZWKOTPCHSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001052025434 763616215 /nfs/dbraw/zinc/61/62/15/763616215.db2.gz DIDAOYHXCSENED-ZWKOTPCHSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001052025434 763616222 /nfs/dbraw/zinc/61/62/22/763616222.db2.gz DIDAOYHXCSENED-ZWKOTPCHSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052026244 763618970 /nfs/dbraw/zinc/61/89/70/763618970.db2.gz COWCPWHBFAIJLI-MSOLQXFVSA-N 2 2 330.476 0.180 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036886 763652323 /nfs/dbraw/zinc/65/23/23/763652323.db2.gz WXHFZOBOOCOLIO-MSOLQXFVSA-N 2 2 332.492 0.568 20 30 ECEDLP N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001052047541 763691103 /nfs/dbraw/zinc/69/11/03/763691103.db2.gz QBZAHZFXMWOOKN-MRXNPFEDSA-N 2 2 338.415 0.690 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052074260 763779418 /nfs/dbraw/zinc/77/94/18/763779418.db2.gz YAIHNAPBBPJRKI-SFHVURJKSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001052100558 763861784 /nfs/dbraw/zinc/86/17/84/763861784.db2.gz FPUUZLCFBPZBON-GOSISDBHSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001015356639 764428501 /nfs/dbraw/zinc/42/85/01/764428501.db2.gz MHYUDZKLJCHOSI-BBWFWOEESA-N 2 2 335.448 0.080 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001015356639 764428505 /nfs/dbraw/zinc/42/85/05/764428505.db2.gz MHYUDZKLJCHOSI-BBWFWOEESA-N 2 2 335.448 0.080 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263775 765866536 /nfs/dbraw/zinc/86/65/36/765866536.db2.gz YKJXZFLRRZPZQL-HZPDHXFCSA-N 2 2 335.448 0.339 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263775 765866541 /nfs/dbraw/zinc/86/65/41/765866541.db2.gz YKJXZFLRRZPZQL-HZPDHXFCSA-N 2 2 335.448 0.339 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)CCO2 ZINC001053537373 766300476 /nfs/dbraw/zinc/30/04/76/766300476.db2.gz CMSKCRBLURAGLU-INIZCTEOSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)CCO2 ZINC001053537373 766300482 /nfs/dbraw/zinc/30/04/82/766300482.db2.gz CMSKCRBLURAGLU-INIZCTEOSA-N 2 2 337.464 0.587 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1)O2 ZINC001053649514 766511213 /nfs/dbraw/zinc/51/12/13/766511213.db2.gz OBEBNCHXRLNDFV-DLBZAZTESA-N 2 2 349.475 0.469 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649514 766511218 /nfs/dbraw/zinc/51/12/18/766511218.db2.gz OBEBNCHXRLNDFV-DLBZAZTESA-N 2 2 349.475 0.469 20 30 ECEDLP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046036917 766730083 /nfs/dbraw/zinc/73/00/83/766730083.db2.gz PFJKFOJFWITLRO-IAGOWNOFSA-N 2 2 333.480 0.603 20 30 ECEDLP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046036917 766730088 /nfs/dbraw/zinc/73/00/88/766730088.db2.gz PFJKFOJFWITLRO-IAGOWNOFSA-N 2 2 333.480 0.603 20 30 ECEDLP N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001046047546 766779054 /nfs/dbraw/zinc/77/90/54/766779054.db2.gz SYLOJFUQJFIQER-ROUUACIJSA-N 2 2 345.491 0.603 20 30 ECEDLP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046048139 766780002 /nfs/dbraw/zinc/78/00/02/766780002.db2.gz QTLQYDHEFZVMIT-KRWDZBQOSA-N 2 2 343.475 0.595 20 30 ECEDLP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046048139 766780007 /nfs/dbraw/zinc/78/00/07/766780007.db2.gz QTLQYDHEFZVMIT-KRWDZBQOSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001046048964 766781793 /nfs/dbraw/zinc/78/17/93/766781793.db2.gz GYSJLDRAAJMEGS-QGZVFWFLSA-N 2 2 329.448 0.515 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001046048964 766781797 /nfs/dbraw/zinc/78/17/97/766781797.db2.gz GYSJLDRAAJMEGS-QGZVFWFLSA-N 2 2 329.448 0.515 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780756 767816126 /nfs/dbraw/zinc/81/61/26/767816126.db2.gz ZEFCJGWYEALQTN-GOEBONIOSA-N 2 2 330.436 0.116 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780756 767816134 /nfs/dbraw/zinc/81/61/34/767816134.db2.gz ZEFCJGWYEALQTN-GOEBONIOSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)nn1 ZINC001098790267 768762384 /nfs/dbraw/zinc/76/23/84/768762384.db2.gz QQPVYGXFEIUNQE-KRWDZBQOSA-N 2 2 344.463 0.650 20 30 ECEDLP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001055630176 769299808 /nfs/dbraw/zinc/29/98/08/769299808.db2.gz VXEDZNZRTGZYAW-CYBMUJFWSA-N 2 2 346.435 0.199 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001020123895 772186947 /nfs/dbraw/zinc/18/69/47/772186947.db2.gz OXIKITBOXYKHHG-LUKYLMHMSA-N 2 2 346.475 0.284 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001020123895 772186951 /nfs/dbraw/zinc/18/69/51/772186951.db2.gz OXIKITBOXYKHHG-LUKYLMHMSA-N 2 2 346.475 0.284 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001020123895 772186952 /nfs/dbraw/zinc/18/69/52/772186952.db2.gz OXIKITBOXYKHHG-LUKYLMHMSA-N 2 2 346.475 0.284 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001020123895 772186955 /nfs/dbraw/zinc/18/69/55/772186955.db2.gz OXIKITBOXYKHHG-LUKYLMHMSA-N 2 2 346.475 0.284 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC001020250751 772351229 /nfs/dbraw/zinc/35/12/29/772351229.db2.gz OWMOSDSJZVFUHZ-KKUMJFAQSA-N 2 2 330.436 0.132 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC001020250751 772351236 /nfs/dbraw/zinc/35/12/36/772351236.db2.gz OWMOSDSJZVFUHZ-KKUMJFAQSA-N 2 2 330.436 0.132 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2C(C)C)C1 ZINC001020250747 772351936 /nfs/dbraw/zinc/35/19/36/772351936.db2.gz OQJUTPRWSCIACT-JYJNAYRXSA-N 2 2 344.463 0.693 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2C(C)C)C1 ZINC001020250747 772351941 /nfs/dbraw/zinc/35/19/41/772351941.db2.gz OQJUTPRWSCIACT-JYJNAYRXSA-N 2 2 344.463 0.693 20 30 ECEDLP C=CCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070076299 790522670 /nfs/dbraw/zinc/52/26/70/790522670.db2.gz JUNVBDXUKAVUEK-CABCVRRESA-N 2 2 329.408 0.172 20 30 ECEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070076299 790522681 /nfs/dbraw/zinc/52/26/81/790522681.db2.gz JUNVBDXUKAVUEK-CABCVRRESA-N 2 2 329.408 0.172 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1n1ccnn1 ZINC001070220728 783686459 /nfs/dbraw/zinc/68/64/59/783686459.db2.gz OXYMHWGHEZNMEJ-IMJJTQAJSA-N 2 2 341.419 0.265 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070311233 783817111 /nfs/dbraw/zinc/81/71/11/783817111.db2.gz SZLGXBBKHHZKJL-OLZOCXBDSA-N 2 2 329.408 0.507 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001070970826 784272167 /nfs/dbraw/zinc/27/21/67/784272167.db2.gz ZTMUQJJSEIMPTD-KRWDZBQOSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001070970826 784272172 /nfs/dbraw/zinc/27/21/72/784272172.db2.gz ZTMUQJJSEIMPTD-KRWDZBQOSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001071075807 784520639 /nfs/dbraw/zinc/52/06/39/784520639.db2.gz WFKBPQFUYMVTPW-AEFFLSMTSA-N 2 2 330.432 0.892 20 30 ECEDLP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@H](C)O2 ZINC001071226092 784783714 /nfs/dbraw/zinc/78/37/14/784783714.db2.gz UZDUMTDLHHVMSF-MAUKXSAKSA-N 2 2 330.432 0.678 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@H](C)O2 ZINC001071226092 784783722 /nfs/dbraw/zinc/78/37/22/784783722.db2.gz UZDUMTDLHHVMSF-MAUKXSAKSA-N 2 2 330.432 0.678 20 30 ECEDLP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071240711 784814492 /nfs/dbraw/zinc/81/44/92/784814492.db2.gz JTJWUQKVFIGMOZ-QAPCUYQASA-N 2 2 330.432 0.907 20 30 ECEDLP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071240711 784814501 /nfs/dbraw/zinc/81/45/01/784814501.db2.gz JTJWUQKVFIGMOZ-QAPCUYQASA-N 2 2 330.432 0.907 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741270 787096625 /nfs/dbraw/zinc/09/66/25/787096625.db2.gz QVZQSUXFDYWMBR-IRXDYDNUSA-N 2 2 337.464 0.326 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741270 787096636 /nfs/dbraw/zinc/09/66/36/787096636.db2.gz QVZQSUXFDYWMBR-IRXDYDNUSA-N 2 2 337.464 0.326 20 30 ECEDLP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073741270 787096646 /nfs/dbraw/zinc/09/66/46/787096646.db2.gz QVZQSUXFDYWMBR-IRXDYDNUSA-N 2 2 337.464 0.326 20 30 ECEDLP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073741270 787096658 /nfs/dbraw/zinc/09/66/58/787096658.db2.gz QVZQSUXFDYWMBR-IRXDYDNUSA-N 2 2 337.464 0.326 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)Cc4c[nH+]c[nH]4)C3)C2)C1=O ZINC001073018634 789283568 /nfs/dbraw/zinc/28/35/68/789283568.db2.gz GRAOJYYYVUFIJL-OAHLLOKOSA-N 2 2 343.431 0.273 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)Cc4c[nH+]c[nH]4)C3)C2)C1=O ZINC001073018634 789283578 /nfs/dbraw/zinc/28/35/78/789283578.db2.gz GRAOJYYYVUFIJL-OAHLLOKOSA-N 2 2 343.431 0.273 20 30 ECEDLP C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001075397930 789325301 /nfs/dbraw/zinc/32/53/01/789325301.db2.gz UKLNABLLJRCGPL-WMZOPIPTSA-N 2 2 344.459 0.972 20 30 ECEDLP C#CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001075415579 789343058 /nfs/dbraw/zinc/34/30/58/789343058.db2.gz LTUSXKNTRYHBCA-SJLPKXTDSA-N 2 2 330.432 0.961 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945738 790224915 /nfs/dbraw/zinc/22/49/15/790224915.db2.gz UNWCKIMPWOJNQC-KFWWJZLASA-N 2 2 341.419 0.580 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945738 790224918 /nfs/dbraw/zinc/22/49/18/790224918.db2.gz UNWCKIMPWOJNQC-KFWWJZLASA-N 2 2 341.419 0.580 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](CCCF)CC1 ZINC001266265150 835579048 /nfs/dbraw/zinc/57/90/48/835579048.db2.gz XFZSLYXODDHOKH-KRWDZBQOSA-N 2 2 338.471 0.568 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](CCCF)CC1 ZINC001266265150 835579051 /nfs/dbraw/zinc/57/90/51/835579051.db2.gz XFZSLYXODDHOKH-KRWDZBQOSA-N 2 2 338.471 0.568 20 30 ECEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001266701406 836166761 /nfs/dbraw/zinc/16/67/61/836166761.db2.gz REFOHDSSAGQUEK-TWMKSMIVSA-N 2 2 335.448 0.126 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001266810663 836333155 /nfs/dbraw/zinc/33/31/55/836333155.db2.gz DEGHEFQFXXRMOQ-JKSUJKDBSA-N 2 2 345.447 0.412 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)COC ZINC001266844761 836372254 /nfs/dbraw/zinc/37/22/54/836372254.db2.gz PLMBKWXEABBARJ-ULQDDVLXSA-N 2 2 337.464 0.062 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)COC ZINC001266844761 836372264 /nfs/dbraw/zinc/37/22/64/836372264.db2.gz PLMBKWXEABBARJ-ULQDDVLXSA-N 2 2 337.464 0.062 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1C[C@H](O)COC ZINC001266844761 836372278 /nfs/dbraw/zinc/37/22/78/836372278.db2.gz PLMBKWXEABBARJ-ULQDDVLXSA-N 2 2 337.464 0.062 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1C[C@H](O)COC ZINC001266844761 836372291 /nfs/dbraw/zinc/37/22/91/836372291.db2.gz PLMBKWXEABBARJ-ULQDDVLXSA-N 2 2 337.464 0.062 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267725796 838395493 /nfs/dbraw/zinc/39/54/93/838395493.db2.gz CYHYCXPAXXXPHR-RDJZCZTQSA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267725796 838395498 /nfs/dbraw/zinc/39/54/98/838395498.db2.gz CYHYCXPAXXXPHR-RDJZCZTQSA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267725796 838395502 /nfs/dbraw/zinc/39/55/02/838395502.db2.gz CYHYCXPAXXXPHR-RDJZCZTQSA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267725796 838395504 /nfs/dbraw/zinc/39/55/04/838395504.db2.gz CYHYCXPAXXXPHR-RDJZCZTQSA-N 2 2 348.491 0.886 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC001267743971 838446233 /nfs/dbraw/zinc/44/62/33/838446233.db2.gz CFZVQJTVCHQZGO-MCIONIFRSA-N 2 2 347.381 0.588 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC001267743971 838446235 /nfs/dbraw/zinc/44/62/35/838446235.db2.gz CFZVQJTVCHQZGO-MCIONIFRSA-N 2 2 347.381 0.588 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)CC(F)(F)F)C1 ZINC001267743971 838446238 /nfs/dbraw/zinc/44/62/38/838446238.db2.gz CFZVQJTVCHQZGO-MCIONIFRSA-N 2 2 347.381 0.588 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)CC(F)(F)F)C1 ZINC001267743971 838446240 /nfs/dbraw/zinc/44/62/40/838446240.db2.gz CFZVQJTVCHQZGO-MCIONIFRSA-N 2 2 347.381 0.588 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]Cc2nnc(C)o2)CC1 ZINC001267830853 838626008 /nfs/dbraw/zinc/62/60/08/838626008.db2.gz HQNVLFBLFKZEJO-HNNXBMFYSA-N 2 2 333.436 0.708 20 30 ECEDLP C[C@H]1CCCC[C@@]1(C[NH2+]CC(=O)NCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001267873487 838670144 /nfs/dbraw/zinc/67/01/44/838670144.db2.gz XUFWFZDVTBEBLL-YOEHRIQHSA-N 2 2 346.435 0.178 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)CC1 ZINC000491043284 420608787 /nfs/dbraw/zinc/60/87/87/420608787.db2.gz AFEOLPMRBWBCCQ-HNNXBMFYSA-N 2 2 342.447 0.016 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)CC1 ZINC000491043284 420608789 /nfs/dbraw/zinc/60/87/89/420608789.db2.gz AFEOLPMRBWBCCQ-HNNXBMFYSA-N 2 2 342.447 0.016 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000528391009 268296298 /nfs/dbraw/zinc/29/62/98/268296298.db2.gz QMPQLJGMSWVUJJ-WMZOPIPTSA-N 2 2 345.443 0.952 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000528391009 268296299 /nfs/dbraw/zinc/29/62/99/268296299.db2.gz QMPQLJGMSWVUJJ-WMZOPIPTSA-N 2 2 345.443 0.952 20 30 ECEDLP C[N@H+](CCN1CC[NH+](CC(=O)NCC#N)CC1)Cc1ccccc1 ZINC000066534091 436687743 /nfs/dbraw/zinc/68/77/43/436687743.db2.gz RGSDCXHKRZCQEU-UHFFFAOYSA-N 2 2 329.448 0.376 20 30 ECEDLP C[N@@H+](CCN1CC[NH+](CC(=O)NCC#N)CC1)Cc1ccccc1 ZINC000066534091 436687747 /nfs/dbraw/zinc/68/77/47/436687747.db2.gz RGSDCXHKRZCQEU-UHFFFAOYSA-N 2 2 329.448 0.376 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000120640296 436695294 /nfs/dbraw/zinc/69/52/94/436695294.db2.gz BGVBFQXOVVPTIN-IAGOWNOFSA-N 2 2 335.496 0.562 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000120640296 436695296 /nfs/dbraw/zinc/69/52/96/436695296.db2.gz BGVBFQXOVVPTIN-IAGOWNOFSA-N 2 2 335.496 0.562 20 30 ECEDLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000127546911 436803015 /nfs/dbraw/zinc/80/30/15/436803015.db2.gz FAEVJMWDXKNGKT-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134120689 436890603 /nfs/dbraw/zinc/89/06/03/436890603.db2.gz JBVCUNSHQUPVTN-UHFFFAOYSA-N 2 2 345.451 0.427 20 30 ECEDLP C[NH+]=C(NCCS(C)(=O)=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261996360 436900568 /nfs/dbraw/zinc/90/05/68/436900568.db2.gz SNIKABUSFAKEQE-QWHCGFSZSA-N 2 2 327.454 0.386 20 30 ECEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000329188177 437332484 /nfs/dbraw/zinc/33/24/84/437332484.db2.gz BLPNDSJDFOQWLL-BZUAXINKSA-N 2 2 340.468 0.416 20 30 ECEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000338297225 437401811 /nfs/dbraw/zinc/40/18/11/437401811.db2.gz QUKGUDDZOVVNIM-UHFFFAOYSA-N 2 2 342.447 0.239 20 30 ECEDLP CN(C)C(=O)CC[NH+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330278337 437478099 /nfs/dbraw/zinc/47/80/99/437478099.db2.gz PNCJWDUBXAVHBP-CQSZACIVSA-N 2 2 348.451 0.208 20 30 ECEDLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[N@H+](C)C1 ZINC000330537168 437544299 /nfs/dbraw/zinc/54/42/99/437544299.db2.gz QGBIIAIWKBTNTI-ROUUACIJSA-N 2 2 342.443 0.922 20 30 ECEDLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[N@@H+](C)C1 ZINC000330537168 437544306 /nfs/dbraw/zinc/54/43/06/437544306.db2.gz QGBIIAIWKBTNTI-ROUUACIJSA-N 2 2 342.443 0.922 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000343758089 437648730 /nfs/dbraw/zinc/64/87/30/437648730.db2.gz AYVACNMHEZWTOH-UHFFFAOYSA-N 2 2 345.447 0.813 20 30 ECEDLP CC[NH+]1CCC(NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000331242892 437725955 /nfs/dbraw/zinc/72/59/55/437725955.db2.gz NVCGSZMAPSAMFL-AWEZNQCLSA-N 2 2 341.456 0.553 20 30 ECEDLP CC[NH+]1CCC(NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000331242892 437725958 /nfs/dbraw/zinc/72/59/58/437725958.db2.gz NVCGSZMAPSAMFL-AWEZNQCLSA-N 2 2 341.456 0.553 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371638233 437969665 /nfs/dbraw/zinc/96/96/65/437969665.db2.gz PMBQBZXGYIMWFY-HNNXBMFYSA-N 2 2 349.479 0.233 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371638233 437969670 /nfs/dbraw/zinc/96/96/70/437969670.db2.gz PMBQBZXGYIMWFY-HNNXBMFYSA-N 2 2 349.479 0.233 20 30 ECEDLP C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370353 438079719 /nfs/dbraw/zinc/07/97/19/438079719.db2.gz QPVXEBFTSKRWAP-HKUYNNGSSA-N 2 2 347.507 0.895 20 30 ECEDLP CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372370353 438079722 /nfs/dbraw/zinc/07/97/22/438079722.db2.gz QPVXEBFTSKRWAP-HKUYNNGSSA-N 2 2 347.507 0.895 20 30 ECEDLP CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372370353 438079725 /nfs/dbraw/zinc/07/97/25/438079725.db2.gz QPVXEBFTSKRWAP-HKUYNNGSSA-N 2 2 347.507 0.895 20 30 ECEDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(C#N)n3)CC2)CC1 ZINC000602659490 439120271 /nfs/dbraw/zinc/12/02/71/439120271.db2.gz OOQSNVLJHQJLJF-UHFFFAOYSA-N 2 2 327.432 0.939 20 30 ECEDLP COc1cc(C#N)ccc1OCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989677 439178305 /nfs/dbraw/zinc/17/83/05/439178305.db2.gz YWMZSKFHPOUJLR-UHFFFAOYSA-N 2 2 346.431 0.651 20 30 ECEDLP COc1cc(C#N)ccc1OCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989677 439178309 /nfs/dbraw/zinc/17/83/09/439178309.db2.gz YWMZSKFHPOUJLR-UHFFFAOYSA-N 2 2 346.431 0.651 20 30 ECEDLP C[C@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000526283456 439244760 /nfs/dbraw/zinc/24/47/60/439244760.db2.gz FJSMFIJGQNFXKZ-JKSUJKDBSA-N 2 2 333.480 0.507 20 30 ECEDLP C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000526283456 439244763 /nfs/dbraw/zinc/24/47/63/439244763.db2.gz FJSMFIJGQNFXKZ-JKSUJKDBSA-N 2 2 333.480 0.507 20 30 ECEDLP C[NH+](C)CCN1CC[N@H+](CCC(=O)Nc2ccccc2C#N)CC1=O ZINC000593052236 439335345 /nfs/dbraw/zinc/33/53/45/439335345.db2.gz OWNPJCOROJMEHA-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP C[NH+](C)CCN1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1=O ZINC000593052236 439335351 /nfs/dbraw/zinc/33/53/51/439335351.db2.gz OWNPJCOROJMEHA-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000490739636 439293772 /nfs/dbraw/zinc/29/37/72/439293772.db2.gz FTBMEAVFBQSNQU-UHFFFAOYSA-N 2 2 334.508 0.818 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000490778998 439297743 /nfs/dbraw/zinc/29/77/43/439297743.db2.gz QLPIEKJLIGFAOL-MRXNPFEDSA-N 2 2 329.448 0.377 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000490778998 439297749 /nfs/dbraw/zinc/29/77/49/439297749.db2.gz QLPIEKJLIGFAOL-MRXNPFEDSA-N 2 2 329.448 0.377 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(Oc3cnccn3)CC2)CC1 ZINC000491253389 439357073 /nfs/dbraw/zinc/35/70/73/439357073.db2.gz NJDYCBPCOXGMFJ-UHFFFAOYSA-N 2 2 343.431 0.097 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000491652181 439418824 /nfs/dbraw/zinc/41/88/24/439418824.db2.gz AIMAFOQBEMRIQE-QGZVFWFLSA-N 2 2 335.496 0.363 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC000491652181 439418831 /nfs/dbraw/zinc/41/88/31/439418831.db2.gz AIMAFOQBEMRIQE-QGZVFWFLSA-N 2 2 335.496 0.363 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000491706614 439430327 /nfs/dbraw/zinc/43/03/27/439430327.db2.gz NMPLAKKRQQEXRZ-HNNXBMFYSA-N 2 2 332.452 0.753 20 30 ECEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000609485382 439571158 /nfs/dbraw/zinc/57/11/58/439571158.db2.gz OWXMHGLVQATGGQ-QGZVFWFLSA-N 2 2 335.496 0.753 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(C#N)nc1 ZINC000594822270 439621488 /nfs/dbraw/zinc/62/14/88/439621488.db2.gz UXXNYXZUNSZCFR-UHFFFAOYSA-N 2 2 325.438 0.115 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C#N)nc1 ZINC000594822270 439621490 /nfs/dbraw/zinc/62/14/90/439621490.db2.gz UXXNYXZUNSZCFR-UHFFFAOYSA-N 2 2 325.438 0.115 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000600746254 439699313 /nfs/dbraw/zinc/69/93/13/439699313.db2.gz VMOXYKWLUPGWID-SJORKVTESA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000600746254 439699316 /nfs/dbraw/zinc/69/93/16/439699316.db2.gz VMOXYKWLUPGWID-SJORKVTESA-N 2 2 333.432 0.734 20 30 ECEDLP C=CC[C@]1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCC[NH2+]1 ZINC000662728904 439861288 /nfs/dbraw/zinc/86/12/88/439861288.db2.gz XEYBMUJFUMBWGI-QGZVFWFLSA-N 2 2 333.436 0.852 20 30 ECEDLP C=C[C@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000662165709 440979976 /nfs/dbraw/zinc/97/99/76/440979976.db2.gz NJWXKBITMAVSBA-QGZVFWFLSA-N 2 2 345.443 0.402 20 30 ECEDLP C=CCCn1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)nn1 ZINC000657341555 440999155 /nfs/dbraw/zinc/99/91/55/440999155.db2.gz ZNADSBFWPDHXRF-INIZCTEOSA-N 2 2 334.468 0.887 20 30 ECEDLP C=CCCn1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)nn1 ZINC000657341555 440999165 /nfs/dbraw/zinc/99/91/65/440999165.db2.gz ZNADSBFWPDHXRF-INIZCTEOSA-N 2 2 334.468 0.887 20 30 ECEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000329400100 546022021 /nfs/dbraw/zinc/02/20/21/546022021.db2.gz YOPRSIDUDPGUSW-MRXNPFEDSA-N 2 2 346.479 0.800 20 30 ECEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000329400100 546022025 /nfs/dbraw/zinc/02/20/25/546022025.db2.gz YOPRSIDUDPGUSW-MRXNPFEDSA-N 2 2 346.479 0.800 20 30 ECEDLP C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668638935 547709011 /nfs/dbraw/zinc/70/90/11/547709011.db2.gz DCQQLZXKKRXOMX-RDJZCZTQSA-N 2 2 336.480 0.742 20 30 ECEDLP C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668638935 547709015 /nfs/dbraw/zinc/70/90/15/547709015.db2.gz DCQQLZXKKRXOMX-RDJZCZTQSA-N 2 2 336.480 0.742 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(C#N)cn3)C2)CC1 ZINC000780465312 578694377 /nfs/dbraw/zinc/69/43/77/578694377.db2.gz IGQGARUVDVQFMI-MRXNPFEDSA-N 2 2 342.447 0.921 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(C#N)cn3)C2)CC1 ZINC000780465312 578694379 /nfs/dbraw/zinc/69/43/79/578694379.db2.gz IGQGARUVDVQFMI-MRXNPFEDSA-N 2 2 342.447 0.921 20 30 ECEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)NC2CCOCC2)cc1 ZINC000747838426 579855153 /nfs/dbraw/zinc/85/51/53/579855153.db2.gz BNCAJHPGKBJZEZ-UHFFFAOYSA-N 2 2 334.420 0.680 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000837866651 588963677 /nfs/dbraw/zinc/96/36/77/588963677.db2.gz UZHCPMPHKUDGTD-INIZCTEOSA-N 2 2 335.448 0.082 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000837866651 588963678 /nfs/dbraw/zinc/96/36/78/588963678.db2.gz UZHCPMPHKUDGTD-INIZCTEOSA-N 2 2 335.448 0.082 20 30 ECEDLP C=CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903722286 586801523 /nfs/dbraw/zinc/80/15/23/586801523.db2.gz KDCPLWWHFAVUAF-GJZGRUSLSA-N 2 2 328.478 0.820 20 30 ECEDLP C=CC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903722286 586801526 /nfs/dbraw/zinc/80/15/26/586801526.db2.gz KDCPLWWHFAVUAF-GJZGRUSLSA-N 2 2 328.478 0.820 20 30 ECEDLP CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905447140 586892595 /nfs/dbraw/zinc/89/25/95/586892595.db2.gz OTJODJFCSGQIAI-DLBZAZTESA-N 2 2 338.496 0.673 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000829582867 588331070 /nfs/dbraw/zinc/33/10/70/588331070.db2.gz SAEJINIBSWFSSC-ZACQAIPSSA-N 2 2 335.448 0.080 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000829582867 588331071 /nfs/dbraw/zinc/33/10/71/588331071.db2.gz SAEJINIBSWFSSC-ZACQAIPSSA-N 2 2 335.448 0.080 20 30 ECEDLP C#C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000852128672 589445266 /nfs/dbraw/zinc/44/52/66/589445266.db2.gz WBDKKIKUWYTAGQ-SJLPKXTDSA-N 2 2 348.491 0.883 20 30 ECEDLP C#C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000852128672 589445268 /nfs/dbraw/zinc/44/52/68/589445268.db2.gz WBDKKIKUWYTAGQ-SJLPKXTDSA-N 2 2 348.491 0.883 20 30 ECEDLP CCN1CC[C@H](O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000853657179 589553967 /nfs/dbraw/zinc/55/39/67/589553967.db2.gz APUUCGSJPMTABN-INIZCTEOSA-N 2 2 346.431 0.777 20 30 ECEDLP C[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000879587007 590326148 /nfs/dbraw/zinc/32/61/48/590326148.db2.gz IJUIHORNDKYIMA-UHFFFAOYSA-N 2 2 341.459 0.891 20 30 ECEDLP COCC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876715716 590402197 /nfs/dbraw/zinc/40/21/97/590402197.db2.gz PYHONAFJSUMUEW-QGZVFWFLSA-N 2 2 328.416 0.536 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000876718863 590402817 /nfs/dbraw/zinc/40/28/17/590402817.db2.gz WWUZELNEYJSFAZ-CQSZACIVSA-N 2 2 342.871 0.613 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000876718863 590402819 /nfs/dbraw/zinc/40/28/19/590402819.db2.gz WWUZELNEYJSFAZ-CQSZACIVSA-N 2 2 342.871 0.613 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000876738121 590406401 /nfs/dbraw/zinc/40/64/01/590406401.db2.gz YYMUVFSDMFTKGG-OCCSQVGLSA-N 2 2 333.885 0.780 20 30 ECEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876746252 590407810 /nfs/dbraw/zinc/40/78/10/590407810.db2.gz JFTNSWUSSKKTSC-DYVFJYSZSA-N 2 2 328.416 0.582 20 30 ECEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876746252 590407812 /nfs/dbraw/zinc/40/78/12/590407812.db2.gz JFTNSWUSSKKTSC-DYVFJYSZSA-N 2 2 328.416 0.582 20 30 ECEDLP C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000876747226 590408191 /nfs/dbraw/zinc/40/81/91/590408191.db2.gz YPZJCMIRMCXZGK-KSSFIOAISA-N 2 2 342.443 0.830 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884045925 590716972 /nfs/dbraw/zinc/71/69/72/590716972.db2.gz LWPBQYHREOWKDQ-BBWFWOEESA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884045925 590716977 /nfs/dbraw/zinc/71/69/77/590716977.db2.gz LWPBQYHREOWKDQ-BBWFWOEESA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884045925 590716981 /nfs/dbraw/zinc/71/69/81/590716981.db2.gz LWPBQYHREOWKDQ-BBWFWOEESA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884045925 590716984 /nfs/dbraw/zinc/71/69/84/590716984.db2.gz LWPBQYHREOWKDQ-BBWFWOEESA-N 2 2 336.480 0.883 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000884189207 590768294 /nfs/dbraw/zinc/76/82/94/590768294.db2.gz YWZHWGVLEGPBEK-LSDHHAIUSA-N 2 2 337.395 0.991 20 30 ECEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000884317619 590803989 /nfs/dbraw/zinc/80/39/89/590803989.db2.gz ZBNOLTYCLUPVDK-QRHJNKNDSA-N 2 2 325.416 0.916 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389571 590818370 /nfs/dbraw/zinc/81/83/70/590818370.db2.gz BKLKUFTVPCJQGF-FQUUOJAGSA-N 2 2 327.425 0.047 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884389571 590818375 /nfs/dbraw/zinc/81/83/75/590818375.db2.gz BKLKUFTVPCJQGF-FQUUOJAGSA-N 2 2 327.425 0.047 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000924035180 608725485 /nfs/dbraw/zinc/72/54/85/608725485.db2.gz IDMUANWYWZQLIU-ARFHVFGLSA-N 2 2 336.505 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000924035180 608725489 /nfs/dbraw/zinc/72/54/89/608725489.db2.gz IDMUANWYWZQLIU-ARFHVFGLSA-N 2 2 336.505 0.963 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000924035180 608725492 /nfs/dbraw/zinc/72/54/92/608725492.db2.gz IDMUANWYWZQLIU-ARFHVFGLSA-N 2 2 336.505 0.963 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000924035180 608725494 /nfs/dbraw/zinc/72/54/94/608725494.db2.gz IDMUANWYWZQLIU-ARFHVFGLSA-N 2 2 336.505 0.963 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C)o3)C2)CC1 ZINC000939812472 610137637 /nfs/dbraw/zinc/13/76/37/610137637.db2.gz WPSXFDVYDNEGPU-CZUORRHYSA-N 2 2 345.447 0.660 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCn3c[nH+]cc3C1)CCO2 ZINC000949124433 611862753 /nfs/dbraw/zinc/86/27/53/611862753.db2.gz YQNWLRIYWAKOFS-MRXNPFEDSA-N 2 2 342.443 0.772 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000971950281 735429803 /nfs/dbraw/zinc/42/98/03/735429803.db2.gz SMQNYRNEQVVOJN-CVEARBPZSA-N 2 2 345.447 0.511 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000971950281 735429807 /nfs/dbraw/zinc/42/98/07/735429807.db2.gz SMQNYRNEQVVOJN-CVEARBPZSA-N 2 2 345.447 0.511 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCN2CCCC2=O)C1 ZINC000969864808 732461415 /nfs/dbraw/zinc/46/14/15/732461415.db2.gz FSAZIZXGUDZITB-WBVHZDCISA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCN2CCCC2=O)C1 ZINC000969864808 732461416 /nfs/dbraw/zinc/46/14/16/732461416.db2.gz FSAZIZXGUDZITB-WBVHZDCISA-N 2 2 346.475 0.143 20 30 ECEDLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078174300 782428077 /nfs/dbraw/zinc/42/80/77/782428077.db2.gz HWJCDDSDXBICSW-CGTJXYLNSA-N 2 2 345.418 0.290 20 30 ECEDLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078174300 782428083 /nfs/dbraw/zinc/42/80/83/782428083.db2.gz HWJCDDSDXBICSW-CGTJXYLNSA-N 2 2 345.418 0.290 20 30 ECEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078174300 782428088 /nfs/dbraw/zinc/42/80/88/782428088.db2.gz HWJCDDSDXBICSW-CGTJXYLNSA-N 2 2 345.418 0.290 20 30 ECEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]2O)C1 ZINC001078174300 782428093 /nfs/dbraw/zinc/42/80/93/782428093.db2.gz HWJCDDSDXBICSW-CGTJXYLNSA-N 2 2 345.418 0.290 20 30 ECEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104468160 736488387 /nfs/dbraw/zinc/48/83/87/736488387.db2.gz MZUSGGKZHBQONR-HZPDHXFCSA-N 2 2 345.447 0.097 20 30 ECEDLP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682550 737371173 /nfs/dbraw/zinc/37/11/73/737371173.db2.gz GJDLUNOZIOXINI-SJLPKXTDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682550 737371175 /nfs/dbraw/zinc/37/11/75/737371175.db2.gz GJDLUNOZIOXINI-SJLPKXTDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682550 737371177 /nfs/dbraw/zinc/37/11/77/737371177.db2.gz GJDLUNOZIOXINI-SJLPKXTDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682550 737371179 /nfs/dbraw/zinc/37/11/79/737371179.db2.gz GJDLUNOZIOXINI-SJLPKXTDSA-N 2 2 337.464 0.587 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2O)CC1 ZINC001078228452 782526158 /nfs/dbraw/zinc/52/61/58/782526158.db2.gz QUXNQXPIPAIVEW-QZTJIDSGSA-N 2 2 342.443 0.088 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2O)CC1 ZINC001078228452 782526168 /nfs/dbraw/zinc/52/61/68/782526168.db2.gz QUXNQXPIPAIVEW-QZTJIDSGSA-N 2 2 342.443 0.088 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996142 790292075 /nfs/dbraw/zinc/29/20/75/790292075.db2.gz RUMRTHBVNZHBIA-CVEARBPZSA-N 2 2 344.463 0.517 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996142 790292080 /nfs/dbraw/zinc/29/20/80/790292080.db2.gz RUMRTHBVNZHBIA-CVEARBPZSA-N 2 2 344.463 0.517 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104729662 739556214 /nfs/dbraw/zinc/55/62/14/739556214.db2.gz YZZGKMMXBLIPSG-ZIAGYGMSSA-N 2 2 333.436 0.329 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)nn1 ZINC001105240189 741530532 /nfs/dbraw/zinc/53/05/32/741530532.db2.gz CDOOMWVHUUDWKB-UHFFFAOYSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC001105259794 741586749 /nfs/dbraw/zinc/58/67/49/741586749.db2.gz MVEGPXBBQKBBBJ-INIZCTEOSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105259794 741586752 /nfs/dbraw/zinc/58/67/52/741586752.db2.gz MVEGPXBBQKBBBJ-INIZCTEOSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001105264625 741595993 /nfs/dbraw/zinc/59/59/93/741595993.db2.gz NZTLAJNPQVAFTP-HNNXBMFYSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105264625 741595995 /nfs/dbraw/zinc/59/59/95/741595995.db2.gz NZTLAJNPQVAFTP-HNNXBMFYSA-N 2 2 330.436 0.259 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001105327160 741812904 /nfs/dbraw/zinc/81/29/04/741812904.db2.gz UMOOTCXNFVPMKL-CQSZACIVSA-N 2 2 330.436 0.259 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001105327160 741812908 /nfs/dbraw/zinc/81/29/08/741812908.db2.gz UMOOTCXNFVPMKL-CQSZACIVSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C(F)(F)F ZINC000998305698 744110892 /nfs/dbraw/zinc/11/08/92/744110892.db2.gz RSBQTOFVQDNCLF-STQMWFEESA-N 2 2 328.338 0.965 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cnn(C)c2)C1 ZINC001027446232 744483166 /nfs/dbraw/zinc/48/31/66/744483166.db2.gz CBQXMFLFMFRHKE-ROUUACIJSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cnn(C)c2)C1 ZINC001027446232 744483168 /nfs/dbraw/zinc/48/31/68/744483168.db2.gz CBQXMFLFMFRHKE-ROUUACIJSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2cnn(C)c2)C1 ZINC001027446232 744483176 /nfs/dbraw/zinc/48/31/76/744483176.db2.gz CBQXMFLFMFRHKE-ROUUACIJSA-N 2 2 343.475 0.941 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC000999324754 744628676 /nfs/dbraw/zinc/62/86/76/744628676.db2.gz YFJPFMDOJANNFS-JKSUJKDBSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC000999324754 744628678 /nfs/dbraw/zinc/62/86/78/744628678.db2.gz YFJPFMDOJANNFS-JKSUJKDBSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999994603 745153628 /nfs/dbraw/zinc/15/36/28/745153628.db2.gz CMXUKZWWBBJHMY-IRXDYDNUSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](C(C)C)C2)nn1 ZINC000999994603 745153632 /nfs/dbraw/zinc/15/36/32/745153632.db2.gz CMXUKZWWBBJHMY-IRXDYDNUSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](C(C)C)C2)nn1 ZINC000999994603 745153638 /nfs/dbraw/zinc/15/36/38/745153638.db2.gz CMXUKZWWBBJHMY-IRXDYDNUSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](C(C)C)C2)nn1 ZINC000999994603 745153641 /nfs/dbraw/zinc/15/36/41/745153641.db2.gz CMXUKZWWBBJHMY-IRXDYDNUSA-N 2 2 344.463 0.647 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001000792702 745771024 /nfs/dbraw/zinc/77/10/24/745771024.db2.gz BWVWZSBRYJMVHR-LSDHHAIUSA-N 2 2 345.447 0.628 20 30 ECEDLP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)c3cc([C@@H]4CCC[N@H+]4C)n[nH]3)[C@@H]2C1 ZINC000978221242 746070098 /nfs/dbraw/zinc/07/00/98/746070098.db2.gz JXDAMQJVIPBKKO-ZJOBFFGXSA-N 2 2 327.432 0.717 20 30 ECEDLP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)c3cc([C@@H]4CCC[N@@H+]4C)n[nH]3)[C@@H]2C1 ZINC000978221242 746070103 /nfs/dbraw/zinc/07/01/03/746070103.db2.gz JXDAMQJVIPBKKO-ZJOBFFGXSA-N 2 2 327.432 0.717 20 30 ECEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc([C@@H]4CCC[NH+]4C)n[nH]3)[C@@H]2C1 ZINC000978221242 746070110 /nfs/dbraw/zinc/07/01/10/746070110.db2.gz JXDAMQJVIPBKKO-ZJOBFFGXSA-N 2 2 327.432 0.717 20 30 ECEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc([C@@H]4CCC[NH+]4C)n[nH]3)[C@@H]2C1 ZINC000978221242 746070115 /nfs/dbraw/zinc/07/01/15/746070115.db2.gz JXDAMQJVIPBKKO-ZJOBFFGXSA-N 2 2 327.432 0.717 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001098722511 747675374 /nfs/dbraw/zinc/67/53/74/747675374.db2.gz NNTMGOMEPQDKLE-QGZVFWFLSA-N 2 2 344.463 0.506 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CC#Cc2ccccc2)C1 ZINC001027805323 747920321 /nfs/dbraw/zinc/92/03/21/747920321.db2.gz QXADGRZZMRKHDD-MOPGFXCFSA-N 2 2 341.455 0.949 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CC#Cc2ccccc2)C1 ZINC001027805323 747920324 /nfs/dbraw/zinc/92/03/24/747920324.db2.gz QXADGRZZMRKHDD-MOPGFXCFSA-N 2 2 341.455 0.949 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001027805323 747920325 /nfs/dbraw/zinc/92/03/25/747920325.db2.gz QXADGRZZMRKHDD-MOPGFXCFSA-N 2 2 341.455 0.949 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccccc2)C1 ZINC001027805323 747920328 /nfs/dbraw/zinc/92/03/28/747920328.db2.gz QXADGRZZMRKHDD-MOPGFXCFSA-N 2 2 341.455 0.949 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001029877802 749330723 /nfs/dbraw/zinc/33/07/23/749330723.db2.gz WCXRYEZIMWDGFN-HUUCEWRRSA-N 2 2 345.447 0.519 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001029877802 749330729 /nfs/dbraw/zinc/33/07/29/749330729.db2.gz WCXRYEZIMWDGFN-HUUCEWRRSA-N 2 2 345.447 0.519 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccnn1C ZINC001027943916 749676491 /nfs/dbraw/zinc/67/64/91/749676491.db2.gz PDEYIVAOHQGHCU-ROUUACIJSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccnn1C ZINC001027943916 749676504 /nfs/dbraw/zinc/67/65/04/749676504.db2.gz PDEYIVAOHQGHCU-ROUUACIJSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCc1ccnn1C ZINC001027943916 749676514 /nfs/dbraw/zinc/67/65/14/749676514.db2.gz PDEYIVAOHQGHCU-ROUUACIJSA-N 2 2 343.475 0.641 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000980894627 750315581 /nfs/dbraw/zinc/31/55/81/750315581.db2.gz WPUGCRHVDDGWQP-GOSISDBHSA-N 2 2 342.443 0.923 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000980894627 750315587 /nfs/dbraw/zinc/31/55/87/750315587.db2.gz WPUGCRHVDDGWQP-GOSISDBHSA-N 2 2 342.443 0.923 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](Cc3cccc(C#N)c3)CC2)C1 ZINC000980894627 750315592 /nfs/dbraw/zinc/31/55/92/750315592.db2.gz WPUGCRHVDDGWQP-GOSISDBHSA-N 2 2 342.443 0.923 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)C1 ZINC000980894627 750315598 /nfs/dbraw/zinc/31/55/98/750315598.db2.gz WPUGCRHVDDGWQP-GOSISDBHSA-N 2 2 342.443 0.923 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098645422 752703374 /nfs/dbraw/zinc/70/33/74/752703374.db2.gz LWSXAFQHBOXXDZ-HZPDHXFCSA-N 2 2 330.436 0.259 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098645422 752703379 /nfs/dbraw/zinc/70/33/79/752703379.db2.gz LWSXAFQHBOXXDZ-HZPDHXFCSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccnn3C)CC2)CC1 ZINC000989734789 754365122 /nfs/dbraw/zinc/36/51/22/754365122.db2.gz CYHPECYKCHZBIE-UHFFFAOYSA-N 2 2 343.475 0.800 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccnn3C)CC2)CC1 ZINC000989734789 754365126 /nfs/dbraw/zinc/36/51/26/754365126.db2.gz CYHPECYKCHZBIE-UHFFFAOYSA-N 2 2 343.475 0.800 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ncccn3)C[C@@H]2C)CC1 ZINC000989829265 754498487 /nfs/dbraw/zinc/49/84/87/754498487.db2.gz QDINYYCEHKQSDZ-RDJZCZTQSA-N 2 2 341.459 0.901 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC001009629630 755090391 /nfs/dbraw/zinc/09/03/91/755090391.db2.gz TYAIGVWWCDLDNL-QGZVFWFLSA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NC3CC3)C2)CC1 ZINC001009629630 755090396 /nfs/dbraw/zinc/09/03/96/755090396.db2.gz TYAIGVWWCDLDNL-QGZVFWFLSA-N 2 2 346.475 0.191 20 30 ECEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](O)C1 ZINC001083468329 755177562 /nfs/dbraw/zinc/17/75/62/755177562.db2.gz SJSGJXHBDYHFTM-VQHPVUNQSA-N 2 2 344.459 0.891 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](O)C1 ZINC001083468329 755177566 /nfs/dbraw/zinc/17/75/66/755177566.db2.gz SJSGJXHBDYHFTM-VQHPVUNQSA-N 2 2 344.459 0.891 20 30 ECEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126448419 755433371 /nfs/dbraw/zinc/43/33/71/755433371.db2.gz UXAGGSNUDGWXPE-CQSZACIVSA-N 2 2 335.452 0.861 20 30 ECEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105673492 755800792 /nfs/dbraw/zinc/80/07/92/755800792.db2.gz MFKZLDUJBDZVQA-FPAYPSAMSA-N 2 2 344.459 0.873 20 30 ECEDLP COCC#CC[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168363962 755836282 /nfs/dbraw/zinc/83/62/82/755836282.db2.gz ZEHOJNVUFAKYGA-UHFFFAOYSA-N 2 2 328.416 0.931 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](CC)[NH+](CC)CC)nn2)C1 ZINC001107209000 757683259 /nfs/dbraw/zinc/68/32/59/757683259.db2.gz BWLQIONEDHRIDQ-QGZVFWFLSA-N 2 2 346.479 0.895 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001077033434 758009670 /nfs/dbraw/zinc/00/96/70/758009670.db2.gz WJIDJINAQCIFJB-HZPDHXFCSA-N 2 2 332.448 0.889 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001077033434 758009680 /nfs/dbraw/zinc/00/96/80/758009680.db2.gz WJIDJINAQCIFJB-HZPDHXFCSA-N 2 2 332.448 0.889 20 30 ECEDLP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116607 758010856 /nfs/dbraw/zinc/01/08/56/758010856.db2.gz VAYWIKXEPKJITD-GASCZTMLSA-N 2 2 327.856 0.851 20 30 ECEDLP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116607 758010866 /nfs/dbraw/zinc/01/08/66/758010866.db2.gz VAYWIKXEPKJITD-GASCZTMLSA-N 2 2 327.856 0.851 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@H]1O ZINC001077158725 758374897 /nfs/dbraw/zinc/37/48/97/758374897.db2.gz UTZJJWOTZLUIPZ-FGTMMUONSA-N 2 2 331.460 0.746 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1O ZINC001077158725 758374906 /nfs/dbraw/zinc/37/49/06/758374906.db2.gz UTZJJWOTZLUIPZ-FGTMMUONSA-N 2 2 331.460 0.746 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1O ZINC001077158725 758374914 /nfs/dbraw/zinc/37/49/14/758374914.db2.gz UTZJJWOTZLUIPZ-FGTMMUONSA-N 2 2 331.460 0.746 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@H]1O ZINC001077158725 758374926 /nfs/dbraw/zinc/37/49/26/758374926.db2.gz UTZJJWOTZLUIPZ-FGTMMUONSA-N 2 2 331.460 0.746 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H]1O ZINC001077159121 758376701 /nfs/dbraw/zinc/37/67/01/758376701.db2.gz PIWWQXUJPPBRCZ-CEXWTWQISA-N 2 2 341.455 0.488 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1O ZINC001077159121 758376711 /nfs/dbraw/zinc/37/67/11/758376711.db2.gz PIWWQXUJPPBRCZ-CEXWTWQISA-N 2 2 341.455 0.488 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2)C[C@H]1O ZINC001077159121 758376720 /nfs/dbraw/zinc/37/67/20/758376720.db2.gz PIWWQXUJPPBRCZ-CEXWTWQISA-N 2 2 341.455 0.488 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2)C[C@H]1O ZINC001077159121 758376728 /nfs/dbraw/zinc/37/67/28/758376728.db2.gz PIWWQXUJPPBRCZ-CEXWTWQISA-N 2 2 341.455 0.488 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC001022220791 758440877 /nfs/dbraw/zinc/44/08/77/758440877.db2.gz PPIRISNZRVCCOD-XHSDSOJGSA-N 2 2 327.432 0.619 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC001022220791 758440886 /nfs/dbraw/zinc/44/08/86/758440886.db2.gz PPIRISNZRVCCOD-XHSDSOJGSA-N 2 2 327.432 0.619 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001022220592 758441019 /nfs/dbraw/zinc/44/10/19/758441019.db2.gz KYIXSCQMONIZFK-MHEUCROKSA-N 2 2 330.436 0.509 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001022220592 758441028 /nfs/dbraw/zinc/44/10/28/758441028.db2.gz KYIXSCQMONIZFK-MHEUCROKSA-N 2 2 330.436 0.509 20 30 ECEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001022473226 758768926 /nfs/dbraw/zinc/76/89/26/758768926.db2.gz LXOVSRNHSAPAJD-TWMKSMIVSA-N 2 2 337.464 0.679 20 30 ECEDLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083573580 758840266 /nfs/dbraw/zinc/84/02/66/758840266.db2.gz NRDGNSZVCXSJBI-SQNIBIBYSA-N 2 2 342.443 0.704 20 30 ECEDLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083573580 758840275 /nfs/dbraw/zinc/84/02/75/758840275.db2.gz NRDGNSZVCXSJBI-SQNIBIBYSA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083573580 758840279 /nfs/dbraw/zinc/84/02/79/758840279.db2.gz NRDGNSZVCXSJBI-SQNIBIBYSA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083573580 758840286 /nfs/dbraw/zinc/84/02/86/758840286.db2.gz NRDGNSZVCXSJBI-SQNIBIBYSA-N 2 2 342.443 0.704 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001077424534 759111671 /nfs/dbraw/zinc/11/16/71/759111671.db2.gz XTNKGZWPVQMPRG-HOCLYGCPSA-N 2 2 345.447 0.300 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001077424534 759111675 /nfs/dbraw/zinc/11/16/75/759111675.db2.gz XTNKGZWPVQMPRG-HOCLYGCPSA-N 2 2 345.447 0.300 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cnc(C)o3)C2)CC1 ZINC001032207761 759650052 /nfs/dbraw/zinc/65/00/52/759650052.db2.gz ZOMFEXZDKJCFPC-UHFFFAOYSA-N 2 2 330.432 0.876 20 30 ECEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050471681 760321928 /nfs/dbraw/zinc/32/19/28/760321928.db2.gz BHWXUBWDKBJJFD-AWEZNQCLSA-N 2 2 327.856 0.994 20 30 ECEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050471681 760321940 /nfs/dbraw/zinc/32/19/40/760321940.db2.gz BHWXUBWDKBJJFD-AWEZNQCLSA-N 2 2 327.856 0.994 20 30 ECEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001051082270 761456375 /nfs/dbraw/zinc/45/63/75/761456375.db2.gz XEHBAFKBAIHJOB-JKSUJKDBSA-N 2 2 325.453 0.489 20 30 ECEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082270 761456377 /nfs/dbraw/zinc/45/63/77/761456377.db2.gz XEHBAFKBAIHJOB-JKSUJKDBSA-N 2 2 325.453 0.489 20 30 ECEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001051082270 761456380 /nfs/dbraw/zinc/45/63/80/761456380.db2.gz XEHBAFKBAIHJOB-JKSUJKDBSA-N 2 2 325.453 0.489 20 30 ECEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001051082270 761456384 /nfs/dbraw/zinc/45/63/84/761456384.db2.gz XEHBAFKBAIHJOB-JKSUJKDBSA-N 2 2 325.453 0.489 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2CC[C@H](C)F)CC1 ZINC001051254274 761774401 /nfs/dbraw/zinc/77/44/01/761774401.db2.gz GKMVZJXBMPTMPP-RDJZCZTQSA-N 2 2 339.455 0.897 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2CC[C@H](C)F)CC1 ZINC001051254274 761774404 /nfs/dbraw/zinc/77/44/04/761774404.db2.gz GKMVZJXBMPTMPP-RDJZCZTQSA-N 2 2 339.455 0.897 20 30 ECEDLP N#Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)c1 ZINC001051848429 763104094 /nfs/dbraw/zinc/10/40/94/763104094.db2.gz RDKOBOJHKFQXHE-KRWDZBQOSA-N 2 2 339.399 0.841 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)nn1 ZINC001098784247 768116537 /nfs/dbraw/zinc/11/65/37/768116537.db2.gz CIFYPWGUOMEFRN-IRXDYDNUSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001098784247 768116543 /nfs/dbraw/zinc/11/65/43/768116543.db2.gz CIFYPWGUOMEFRN-IRXDYDNUSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C2)CC1 ZINC001052037282 763653903 /nfs/dbraw/zinc/65/39/03/763653903.db2.gz JQZSLFNLFVEXHL-OALUTQOASA-N 2 2 342.487 0.326 20 30 ECEDLP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C2)CC1 ZINC001052037282 763653908 /nfs/dbraw/zinc/65/39/08/763653908.db2.gz JQZSLFNLFVEXHL-OALUTQOASA-N 2 2 342.487 0.326 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052070887 763769567 /nfs/dbraw/zinc/76/95/67/763769567.db2.gz OJEYOIZGZQHRNP-GBESFXJTSA-N 2 2 346.519 0.959 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052070887 763769574 /nfs/dbraw/zinc/76/95/74/763769574.db2.gz OJEYOIZGZQHRNP-GBESFXJTSA-N 2 2 346.519 0.959 20 30 ECEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052093151 763836333 /nfs/dbraw/zinc/83/63/33/763836333.db2.gz KEBJQKUOFFGYQQ-QZTJIDSGSA-N 2 2 347.507 0.991 20 30 ECEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052093151 763836344 /nfs/dbraw/zinc/83/63/44/763836344.db2.gz KEBJQKUOFFGYQQ-QZTJIDSGSA-N 2 2 347.507 0.991 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC001098784887 768210893 /nfs/dbraw/zinc/21/08/93/768210893.db2.gz MKMZTSOINXICBS-MRXNPFEDSA-N 2 2 341.419 0.370 20 30 ECEDLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047545314 764651416 /nfs/dbraw/zinc/65/14/16/764651416.db2.gz PVZLTFYXIBTFOW-IRXDYDNUSA-N 2 2 339.399 0.528 20 30 ECEDLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047545314 764651419 /nfs/dbraw/zinc/65/14/19/764651419.db2.gz PVZLTFYXIBTFOW-IRXDYDNUSA-N 2 2 339.399 0.528 20 30 ECEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107011639 764665718 /nfs/dbraw/zinc/66/57/18/764665718.db2.gz LJLSBFKNRAICEL-NXHRZFHOSA-N 2 2 333.476 0.805 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106461833 768337363 /nfs/dbraw/zinc/33/73/63/768337363.db2.gz OPCMSMMFTFWMCA-HZPDHXFCSA-N 2 2 332.448 0.687 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046035134 766717663 /nfs/dbraw/zinc/71/76/63/766717663.db2.gz FMZQWFJSZBLSNY-MSOLQXFVSA-N 2 2 347.507 0.991 20 30 ECEDLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046035134 766717670 /nfs/dbraw/zinc/71/76/70/766717670.db2.gz FMZQWFJSZBLSNY-MSOLQXFVSA-N 2 2 347.507 0.991 20 30 ECEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)C1 ZINC001046039648 766743250 /nfs/dbraw/zinc/74/32/50/766743250.db2.gz UNACKKBGIPTKRL-KRWDZBQOSA-N 2 2 343.475 0.778 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)n3c[nH+]c(C)c3)CC2)C1 ZINC001046039648 766743261 /nfs/dbraw/zinc/74/32/61/766743261.db2.gz UNACKKBGIPTKRL-KRWDZBQOSA-N 2 2 343.475 0.778 20 30 ECEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046047056 766776150 /nfs/dbraw/zinc/77/61/50/766776150.db2.gz IBRKUQXMUYJMCH-INIZCTEOSA-N 2 2 329.448 0.204 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046047056 766776158 /nfs/dbraw/zinc/77/61/58/766776158.db2.gz IBRKUQXMUYJMCH-INIZCTEOSA-N 2 2 329.448 0.204 20 30 ECEDLP N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001046047545 766779455 /nfs/dbraw/zinc/77/94/55/766779455.db2.gz SYLOJFUQJFIQER-QZTJIDSGSA-N 2 2 345.491 0.603 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cnon2)C1 ZINC001017147604 767652671 /nfs/dbraw/zinc/65/26/71/767652671.db2.gz ATNXQZZWPWLVTH-RDJZCZTQSA-N 2 2 345.447 0.838 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2cnon2)C1 ZINC001017147604 767652674 /nfs/dbraw/zinc/65/26/74/767652674.db2.gz ATNXQZZWPWLVTH-RDJZCZTQSA-N 2 2 345.447 0.838 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)Cc2cnon2)C1 ZINC001017147604 767652680 /nfs/dbraw/zinc/65/26/80/767652680.db2.gz ATNXQZZWPWLVTH-RDJZCZTQSA-N 2 2 345.447 0.838 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)Cc2cnon2)C1 ZINC001017147604 767652683 /nfs/dbraw/zinc/65/26/83/767652683.db2.gz ATNXQZZWPWLVTH-RDJZCZTQSA-N 2 2 345.447 0.838 20 30 ECEDLP CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001055595846 769212314 /nfs/dbraw/zinc/21/23/14/769212314.db2.gz HHNGXPDMFMKSIG-UHFFFAOYSA-N 2 2 345.447 0.239 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2CCC)C1 ZINC001018985859 770483091 /nfs/dbraw/zinc/48/30/91/770483091.db2.gz JIUVOCCFONJKSB-HOTGVXAUSA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2CCC)C1 ZINC001018985859 770483096 /nfs/dbraw/zinc/48/30/96/770483096.db2.gz JIUVOCCFONJKSB-HOTGVXAUSA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nccn2CC)C1 ZINC001018985819 770483410 /nfs/dbraw/zinc/48/34/10/770483410.db2.gz GVAAVNZODKQVJH-HOTGVXAUSA-N 2 2 329.448 0.691 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nccn2CC)C1 ZINC001018985819 770483417 /nfs/dbraw/zinc/48/34/17/770483417.db2.gz GVAAVNZODKQVJH-HOTGVXAUSA-N 2 2 329.448 0.691 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001018986218 770485839 /nfs/dbraw/zinc/48/58/39/770485839.db2.gz WGQIYIDLSSMKEJ-QEJZJMRPSA-N 2 2 331.420 0.727 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001018986218 770485842 /nfs/dbraw/zinc/48/58/42/770485842.db2.gz WGQIYIDLSSMKEJ-QEJZJMRPSA-N 2 2 331.420 0.727 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnsn3)C2)CC1 ZINC001019813409 771827940 /nfs/dbraw/zinc/82/79/40/771827940.db2.gz DNEJELBCSSATFZ-AWEZNQCLSA-N 2 2 333.461 0.574 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)CC1 ZINC001019816185 771832311 /nfs/dbraw/zinc/83/23/11/771832311.db2.gz UILNPERWABJDBF-HNNXBMFYSA-N 2 2 330.436 0.149 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001042960532 781102653 /nfs/dbraw/zinc/10/26/53/781102653.db2.gz PTJNGTNVQUYUJA-RDJZCZTQSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H]2CCNC(=O)CC2)C1 ZINC001042960532 781102656 /nfs/dbraw/zinc/10/26/56/781102656.db2.gz PTJNGTNVQUYUJA-RDJZCZTQSA-N 2 2 346.475 0.143 20 30 ECEDLP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001070380715 783918489 /nfs/dbraw/zinc/91/84/89/783918489.db2.gz VZMOCMULPUTYJM-QAPCUYQASA-N 2 2 345.447 0.614 20 30 ECEDLP CC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403371 783978744 /nfs/dbraw/zinc/97/87/44/783978744.db2.gz QYFCVWRIWMIAAN-HOCLYGCPSA-N 2 2 345.447 0.169 20 30 ECEDLP CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403371 783978748 /nfs/dbraw/zinc/97/87/48/783978748.db2.gz QYFCVWRIWMIAAN-HOCLYGCPSA-N 2 2 345.447 0.169 20 30 ECEDLP CC#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001070403371 783978754 /nfs/dbraw/zinc/97/87/54/783978754.db2.gz QYFCVWRIWMIAAN-HOCLYGCPSA-N 2 2 345.447 0.169 20 30 ECEDLP CC#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070403371 783978755 /nfs/dbraw/zinc/97/87/55/783978755.db2.gz QYFCVWRIWMIAAN-HOCLYGCPSA-N 2 2 345.447 0.169 20 30 ECEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001070963293 784243310 /nfs/dbraw/zinc/24/33/10/784243310.db2.gz KMIGDTLYZJIQNC-DLBZAZTESA-N 2 2 348.491 0.697 20 30 ECEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001070963293 784243315 /nfs/dbraw/zinc/24/33/15/784243315.db2.gz KMIGDTLYZJIQNC-DLBZAZTESA-N 2 2 348.491 0.697 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001070963293 784243320 /nfs/dbraw/zinc/24/33/20/784243320.db2.gz KMIGDTLYZJIQNC-DLBZAZTESA-N 2 2 348.491 0.697 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001070963293 784243326 /nfs/dbraw/zinc/24/33/26/784243326.db2.gz KMIGDTLYZJIQNC-DLBZAZTESA-N 2 2 348.491 0.697 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001070967992 784258000 /nfs/dbraw/zinc/25/80/00/784258000.db2.gz IGRWGSFXZXYXRP-QGZVFWFLSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001070967992 784258007 /nfs/dbraw/zinc/25/80/07/784258007.db2.gz IGRWGSFXZXYXRP-QGZVFWFLSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001070967992 784258015 /nfs/dbraw/zinc/25/80/15/784258015.db2.gz IGRWGSFXZXYXRP-QGZVFWFLSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001070967992 784258023 /nfs/dbraw/zinc/25/80/23/784258023.db2.gz IGRWGSFXZXYXRP-QGZVFWFLSA-N 2 2 348.491 0.535 20 30 ECEDLP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001070979909 784305401 /nfs/dbraw/zinc/30/54/01/784305401.db2.gz FFJPBNUBCNZVTH-UHFFFAOYSA-N 2 2 333.436 0.418 20 30 ECEDLP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001070979909 784305409 /nfs/dbraw/zinc/30/54/09/784305409.db2.gz FFJPBNUBCNZVTH-UHFFFAOYSA-N 2 2 333.436 0.418 20 30 ECEDLP C#CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC001070606203 784427703 /nfs/dbraw/zinc/42/77/03/784427703.db2.gz RFXOCUGPEDJXTA-LSDHHAIUSA-N 2 2 342.403 0.441 20 30 ECEDLP C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC001070606203 784427710 /nfs/dbraw/zinc/42/77/10/784427710.db2.gz RFXOCUGPEDJXTA-LSDHHAIUSA-N 2 2 342.403 0.441 20 30 ECEDLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070668509 784525635 /nfs/dbraw/zinc/52/56/35/784525635.db2.gz YAEYUWQPJXGAOZ-ZIAGYGMSSA-N 2 2 327.392 0.033 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071240709 784814226 /nfs/dbraw/zinc/81/42/26/784814226.db2.gz JTJWUQKVFIGMOZ-CRAIPNDOSA-N 2 2 330.432 0.907 20 30 ECEDLP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071240709 784814230 /nfs/dbraw/zinc/81/42/30/784814230.db2.gz JTJWUQKVFIGMOZ-CRAIPNDOSA-N 2 2 330.432 0.907 20 30 ECEDLP C=CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001267486317 837548176 /nfs/dbraw/zinc/54/81/76/837548176.db2.gz BJKDTAMJXSVPDB-AWEZNQCLSA-N 2 2 347.463 0.861 20 30 ECEDLP C=CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001267486317 837548183 /nfs/dbraw/zinc/54/81/83/837548183.db2.gz BJKDTAMJXSVPDB-AWEZNQCLSA-N 2 2 347.463 0.861 20 30 ECEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266291175 835635919 /nfs/dbraw/zinc/63/59/19/835635919.db2.gz YHRDNLXMRWEAPK-UHFFFAOYSA-N 2 2 327.388 0.054 20 30 ECEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266291175 835635922 /nfs/dbraw/zinc/63/59/22/835635922.db2.gz YHRDNLXMRWEAPK-UHFFFAOYSA-N 2 2 327.388 0.054 20 30 ECEDLP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001266418973 835824275 /nfs/dbraw/zinc/82/42/75/835824275.db2.gz VFBFVJNBLHZNFC-AWEZNQCLSA-N 2 2 339.399 0.182 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001266810660 836333132 /nfs/dbraw/zinc/33/31/32/836333132.db2.gz DEGHEFQFXXRMOQ-CVEARBPZSA-N 2 2 345.447 0.412 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001266868299 836413091 /nfs/dbraw/zinc/41/30/91/836413091.db2.gz DZAWZLKKQIWPEB-OAHLLOKOSA-N 2 2 331.420 0.062 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001266868299 836413095 /nfs/dbraw/zinc/41/30/95/836413095.db2.gz DZAWZLKKQIWPEB-OAHLLOKOSA-N 2 2 331.420 0.062 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267073575 836720191 /nfs/dbraw/zinc/72/01/91/836720191.db2.gz VMGCOXSIQDRGDY-CVEARBPZSA-N 2 2 345.447 0.239 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001267178474 836923663 /nfs/dbraw/zinc/92/36/63/836923663.db2.gz AEIKHTJUDBRPJE-HNNXBMFYSA-N 2 2 345.447 0.371 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001267178474 836923665 /nfs/dbraw/zinc/92/36/65/836923665.db2.gz AEIKHTJUDBRPJE-HNNXBMFYSA-N 2 2 345.447 0.371 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267232422 837037856 /nfs/dbraw/zinc/03/78/56/837037856.db2.gz HUNGNSCWFVGGFM-NVXWUHKLSA-N 2 2 344.459 0.475 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267232422 837037867 /nfs/dbraw/zinc/03/78/67/837037867.db2.gz HUNGNSCWFVGGFM-NVXWUHKLSA-N 2 2 344.459 0.475 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267689346 838258117 /nfs/dbraw/zinc/25/81/17/838258117.db2.gz DFXRQWVIYPAAKV-KBPBESRZSA-N 2 2 333.436 0.423 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267689346 838258121 /nfs/dbraw/zinc/25/81/21/838258121.db2.gz DFXRQWVIYPAAKV-KBPBESRZSA-N 2 2 333.436 0.423 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001268041325 839167339 /nfs/dbraw/zinc/16/73/39/839167339.db2.gz SGGRJMOQOFTXAV-CQSZACIVSA-N 2 2 347.463 0.672 20 30 ECEDLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000331376462 291068431 /nfs/dbraw/zinc/06/84/31/291068431.db2.gz GZCSJJAVMBUELR-UONOGXRCSA-N 2 2 347.463 0.174 20 30 ECEDLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000331376462 291068434 /nfs/dbraw/zinc/06/84/34/291068434.db2.gz GZCSJJAVMBUELR-UONOGXRCSA-N 2 2 347.463 0.174 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)CC1 ZINC000073117553 436068988 /nfs/dbraw/zinc/06/89/88/436068988.db2.gz UBPQQCNRQQRJDM-CQSZACIVSA-N 2 2 334.489 0.967 20 30 ECEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000073777344 436094552 /nfs/dbraw/zinc/09/45/52/436094552.db2.gz HPFKUUCGHNRJOH-HNNXBMFYSA-N 2 2 348.451 0.172 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000112920028 436634791 /nfs/dbraw/zinc/63/47/91/436634791.db2.gz MCOVICNXQFKPNM-UHFFFAOYSA-N 2 2 340.471 0.582 20 30 ECEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194492328 436667338 /nfs/dbraw/zinc/66/73/38/436667338.db2.gz NCNLGFULNUXUPX-UHFFFAOYSA-N 2 2 334.464 0.935 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000246666539 436782913 /nfs/dbraw/zinc/78/29/13/436782913.db2.gz YELUEUCOOZVWDL-SJORKVTESA-N 2 2 335.496 0.706 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000246666539 436782916 /nfs/dbraw/zinc/78/29/16/436782916.db2.gz YELUEUCOOZVWDL-SJORKVTESA-N 2 2 335.496 0.706 20 30 ECEDLP CCC(=O)N1CC[C@@H](NC(NCc2cn3c([nH+]2)CCCC3)=[NH+]C)C1 ZINC000262010052 436901284 /nfs/dbraw/zinc/90/12/84/436901284.db2.gz WKMAWDPZLQQKPB-CYBMUJFWSA-N 2 2 332.452 0.895 20 30 ECEDLP COc1ccc(CCNC(=[NH2+])NC[C@H]2C[N@H+](C)CCO2)cc1OC ZINC000170913288 436960532 /nfs/dbraw/zinc/96/05/32/436960532.db2.gz IZQCLYGEYDUHCW-AWEZNQCLSA-N 2 2 336.436 0.481 20 30 ECEDLP COc1ccc(CCNC(=[NH2+])NC[C@H]2C[N@@H+](C)CCO2)cc1OC ZINC000170913288 436960535 /nfs/dbraw/zinc/96/05/35/436960535.db2.gz IZQCLYGEYDUHCW-AWEZNQCLSA-N 2 2 336.436 0.481 20 30 ECEDLP COc1cc[nH+]cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000275921734 437030597 /nfs/dbraw/zinc/03/05/97/437030597.db2.gz URYDHKQSNZEWMO-UHFFFAOYSA-N 2 2 333.392 0.723 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000305071159 437160213 /nfs/dbraw/zinc/16/02/13/437160213.db2.gz TVBQGVFZDMMEQC-IAGOWNOFSA-N 2 2 345.443 0.945 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000305071159 437160218 /nfs/dbraw/zinc/16/02/18/437160218.db2.gz TVBQGVFZDMMEQC-IAGOWNOFSA-N 2 2 345.443 0.945 20 30 ECEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)CCC2 ZINC000328640296 437244556 /nfs/dbraw/zinc/24/45/56/437244556.db2.gz CLUVDSSCPYTABE-LSDHHAIUSA-N 2 2 334.468 0.818 20 30 ECEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)CCC2 ZINC000328640296 437244562 /nfs/dbraw/zinc/24/45/62/437244562.db2.gz CLUVDSSCPYTABE-LSDHHAIUSA-N 2 2 334.468 0.818 20 30 ECEDLP C=CCCN(C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000357770659 438064897 /nfs/dbraw/zinc/06/48/97/438064897.db2.gz ZCLCRXXGZQYHFR-UHFFFAOYSA-N 2 2 336.480 0.696 20 30 ECEDLP COc1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1C#N ZINC000414717755 438715950 /nfs/dbraw/zinc/71/59/50/438715950.db2.gz UWVVPRWMSWNNTJ-MRXNPFEDSA-N 2 2 328.416 0.963 20 30 ECEDLP COc1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1C#N ZINC000414717755 438715952 /nfs/dbraw/zinc/71/59/52/438715952.db2.gz UWVVPRWMSWNNTJ-MRXNPFEDSA-N 2 2 328.416 0.963 20 30 ECEDLP C=CCNC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000516423691 438904986 /nfs/dbraw/zinc/90/49/86/438904986.db2.gz PQWSJXICIOCUGE-HNNXBMFYSA-N 2 2 331.420 0.709 20 30 ECEDLP C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000516423691 438904987 /nfs/dbraw/zinc/90/49/87/438904987.db2.gz PQWSJXICIOCUGE-HNNXBMFYSA-N 2 2 331.420 0.709 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595869157 438875233 /nfs/dbraw/zinc/87/52/33/438875233.db2.gz VQQPRUMFBDLZGF-ROUUACIJSA-N 2 2 345.443 0.829 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595869157 438875234 /nfs/dbraw/zinc/87/52/34/438875234.db2.gz VQQPRUMFBDLZGF-ROUUACIJSA-N 2 2 345.443 0.829 20 30 ECEDLP COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000578606891 438938881 /nfs/dbraw/zinc/93/88/81/438938881.db2.gz NKNSPOGTMWKEFR-AWEZNQCLSA-N 2 2 347.419 0.690 20 30 ECEDLP COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578606891 438938882 /nfs/dbraw/zinc/93/88/82/438938882.db2.gz NKNSPOGTMWKEFR-AWEZNQCLSA-N 2 2 347.419 0.690 20 30 ECEDLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592150459 439167239 /nfs/dbraw/zinc/16/72/39/439167239.db2.gz CXRAQABRKQMKPF-FUHWJXTLSA-N 2 2 330.432 0.756 20 30 ECEDLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592150459 439167242 /nfs/dbraw/zinc/16/72/42/439167242.db2.gz CXRAQABRKQMKPF-FUHWJXTLSA-N 2 2 330.432 0.756 20 30 ECEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)CC1 ZINC000602854588 439144170 /nfs/dbraw/zinc/14/41/70/439144170.db2.gz CTNRYDGQIPDVMD-IYBDPMFKSA-N 2 2 335.496 0.894 20 30 ECEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)CC1 ZINC000602854588 439144175 /nfs/dbraw/zinc/14/41/75/439144175.db2.gz CTNRYDGQIPDVMD-IYBDPMFKSA-N 2 2 335.496 0.894 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](COC)c2ccc(F)cc2)CC1 ZINC000490922914 439312841 /nfs/dbraw/zinc/31/28/41/439312841.db2.gz HFWVZTKGDXWEEO-KRWDZBQOSA-N 2 2 333.407 0.880 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000490933447 439314457 /nfs/dbraw/zinc/31/44/57/439314457.db2.gz DEXHEGXACPYWRT-OAHLLOKOSA-N 2 2 336.480 0.437 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000490933447 439314462 /nfs/dbraw/zinc/31/44/62/439314462.db2.gz DEXHEGXACPYWRT-OAHLLOKOSA-N 2 2 336.480 0.437 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](CCO)c2ccccc2)CC1 ZINC000490740213 439293469 /nfs/dbraw/zinc/29/34/69/439293469.db2.gz JMBHDCLGDDNNQL-SFHVURJKSA-N 2 2 329.444 0.819 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](CCO)c2ccccc2)CC1 ZINC000490740213 439293474 /nfs/dbraw/zinc/29/34/74/439293474.db2.gz JMBHDCLGDDNNQL-SFHVURJKSA-N 2 2 329.444 0.819 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCCO)Cc2ccccc2)CC1 ZINC000490818729 439301026 /nfs/dbraw/zinc/30/10/26/439301026.db2.gz AAYCGMKXCQUCNJ-UHFFFAOYSA-N 2 2 329.444 0.648 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCCO)Cc2ccccc2)CC1 ZINC000490818729 439301032 /nfs/dbraw/zinc/30/10/32/439301032.db2.gz AAYCGMKXCQUCNJ-UHFFFAOYSA-N 2 2 329.444 0.648 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000490854136 439304399 /nfs/dbraw/zinc/30/43/99/439304399.db2.gz XUVSVLYYPFJQAK-HKUYNNGSSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000490854136 439304405 /nfs/dbraw/zinc/30/44/05/439304405.db2.gz XUVSVLYYPFJQAK-HKUYNNGSSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000490854136 439304411 /nfs/dbraw/zinc/30/44/11/439304411.db2.gz XUVSVLYYPFJQAK-HKUYNNGSSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000490854136 439304417 /nfs/dbraw/zinc/30/44/17/439304417.db2.gz XUVSVLYYPFJQAK-HKUYNNGSSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CCN1CCN(C(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000490900740 439310014 /nfs/dbraw/zinc/31/00/14/439310014.db2.gz XOQWQEMRRAMOOX-UHFFFAOYSA-N 2 2 341.459 0.735 20 30 ECEDLP CC[C@@H](C#N)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000593452920 439383226 /nfs/dbraw/zinc/38/32/26/439383226.db2.gz JPLWYENPKCSSQV-HNNXBMFYSA-N 2 2 349.479 0.233 20 30 ECEDLP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000594436214 439560454 /nfs/dbraw/zinc/56/04/54/439560454.db2.gz BVQUAHFNXUILCD-HOCLYGCPSA-N 2 2 340.493 0.722 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(C#N)s1 ZINC000594820328 439622086 /nfs/dbraw/zinc/62/20/86/439622086.db2.gz BMYBOVYZVPGFAM-UHFFFAOYSA-N 2 2 330.479 0.782 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C#N)s1 ZINC000594820328 439622088 /nfs/dbraw/zinc/62/20/88/439622088.db2.gz BMYBOVYZVPGFAM-UHFFFAOYSA-N 2 2 330.479 0.782 20 30 ECEDLP C[C@@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000753955226 579409815 /nfs/dbraw/zinc/40/98/15/579409815.db2.gz LHDUTRASIABQSJ-CYBMUJFWSA-N 2 2 339.509 0.785 20 30 ECEDLP C[C@@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000753955226 579409817 /nfs/dbraw/zinc/40/98/17/579409817.db2.gz LHDUTRASIABQSJ-CYBMUJFWSA-N 2 2 339.509 0.785 20 30 ECEDLP C[C@@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000753956602 579409981 /nfs/dbraw/zinc/40/99/81/579409981.db2.gz YZILSQHCMVVXHQ-GFCCVEGCSA-N 2 2 325.482 0.395 20 30 ECEDLP C[C@@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000753956602 579409982 /nfs/dbraw/zinc/40/99/82/579409982.db2.gz YZILSQHCMVVXHQ-GFCCVEGCSA-N 2 2 325.482 0.395 20 30 ECEDLP CC(C)[N@H+]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000754253395 579414984 /nfs/dbraw/zinc/41/49/84/579414984.db2.gz DRSCLOBMUMFQPJ-CQSZACIVSA-N 2 2 341.525 0.889 20 30 ECEDLP CC(C)[N@@H+]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000754253395 579414986 /nfs/dbraw/zinc/41/49/86/579414986.db2.gz DRSCLOBMUMFQPJ-CQSZACIVSA-N 2 2 341.525 0.889 20 30 ECEDLP CN1CC[C@H](O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000734834562 578370673 /nfs/dbraw/zinc/37/06/73/578370673.db2.gz WLFBDSWCWHKGIE-HNNXBMFYSA-N 2 2 332.404 0.386 20 30 ECEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@@H](CO)c3ccccc3)cn2)CC1 ZINC000788453649 578837700 /nfs/dbraw/zinc/83/77/00/578837700.db2.gz ANEDYYGGRLTUMP-KRWDZBQOSA-N 2 2 340.431 0.886 20 30 ECEDLP C#C[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCCO1 ZINC000775793655 579271338 /nfs/dbraw/zinc/27/13/38/579271338.db2.gz WPERHFJCZOEDAS-ULQDDVLXSA-N 2 2 337.464 0.230 20 30 ECEDLP C#C[C@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCCO1 ZINC000775793655 579271339 /nfs/dbraw/zinc/27/13/39/579271339.db2.gz WPERHFJCZOEDAS-ULQDDVLXSA-N 2 2 337.464 0.230 20 30 ECEDLP Cn1ncnc1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000748097165 579856595 /nfs/dbraw/zinc/85/65/95/579856595.db2.gz DNFHWGHTNCJCCO-UHFFFAOYSA-N 2 2 330.392 0.484 20 30 ECEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986169 587463328 /nfs/dbraw/zinc/46/33/28/587463328.db2.gz HHTOWMBNCNDCCR-LMMKCTJWSA-N 2 2 345.443 0.945 20 30 ECEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000818986169 587463330 /nfs/dbraw/zinc/46/33/30/587463330.db2.gz HHTOWMBNCNDCCR-LMMKCTJWSA-N 2 2 345.443 0.945 20 30 ECEDLP C#CCOCC[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000819228224 587473138 /nfs/dbraw/zinc/47/31/38/587473138.db2.gz GZAURASQNRSALH-SFHVURJKSA-N 2 2 347.459 0.418 20 30 ECEDLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852873286 589520979 /nfs/dbraw/zinc/52/09/79/589520979.db2.gz ZIYWZBFILDFKIF-INIZCTEOSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@H](CO)c2ccccc2)CC1 ZINC000880461624 590394433 /nfs/dbraw/zinc/39/44/33/590394433.db2.gz LDKXPPVODPTZJK-GOSISDBHSA-N 2 2 329.444 0.819 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@H](CO)c2ccccc2)CC1 ZINC000880461624 590394436 /nfs/dbraw/zinc/39/44/36/590394436.db2.gz LDKXPPVODPTZJK-GOSISDBHSA-N 2 2 329.444 0.819 20 30 ECEDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1CCN(c2ccccc2C#N)CC1 ZINC000877176109 590443280 /nfs/dbraw/zinc/44/32/80/590443280.db2.gz PGHPOBNOLAYOOH-INIZCTEOSA-N 2 2 329.448 0.922 20 30 ECEDLP C[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC000878030081 590493200 /nfs/dbraw/zinc/49/32/00/590493200.db2.gz VGKQPGUHYOKAND-UHFFFAOYSA-N 2 2 341.459 0.891 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000890362822 591150432 /nfs/dbraw/zinc/15/04/32/591150432.db2.gz IFOJQPSYYXQKSE-LSDHHAIUSA-N 2 2 347.463 0.877 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)C1 ZINC000890362822 591150434 /nfs/dbraw/zinc/15/04/34/591150434.db2.gz IFOJQPSYYXQKSE-LSDHHAIUSA-N 2 2 347.463 0.877 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000890370989 591152579 /nfs/dbraw/zinc/15/25/79/591152579.db2.gz KAEQUJVNSRAWFW-MSOLQXFVSA-N 2 2 348.491 0.980 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000890370989 591152582 /nfs/dbraw/zinc/15/25/82/591152582.db2.gz KAEQUJVNSRAWFW-MSOLQXFVSA-N 2 2 348.491 0.980 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)[C@@H](C)C2)CC1 ZINC000948069378 611407571 /nfs/dbraw/zinc/40/75/71/611407571.db2.gz GWYBUUZIPZPRMO-GOEBONIOSA-N 2 2 345.447 0.884 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)[C@@H](C)C2)CC1 ZINC000948069378 611407576 /nfs/dbraw/zinc/40/75/76/611407576.db2.gz GWYBUUZIPZPRMO-GOEBONIOSA-N 2 2 345.447 0.884 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000932140861 611604686 /nfs/dbraw/zinc/60/46/86/611604686.db2.gz LBDIUNHCVPRLKX-SJORKVTESA-N 2 2 337.464 0.633 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000913992964 609841504 /nfs/dbraw/zinc/84/15/04/609841504.db2.gz NBJRJZPFADPZRD-QGZVFWFLSA-N 2 2 336.480 0.740 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3csnn3)C2)CC1 ZINC000939811078 610137130 /nfs/dbraw/zinc/13/71/30/610137130.db2.gz QWQZLLQPVLHRER-CZUORRHYSA-N 2 2 347.488 0.820 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000941437117 610315162 /nfs/dbraw/zinc/31/51/62/610315162.db2.gz SCTGQXFHBIDJRJ-LJQANCHMSA-N 2 2 344.503 0.855 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)C1 ZINC000941437117 610315164 /nfs/dbraw/zinc/31/51/64/610315164.db2.gz SCTGQXFHBIDJRJ-LJQANCHMSA-N 2 2 344.503 0.855 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941404665 610721085 /nfs/dbraw/zinc/72/10/85/610721085.db2.gz MISISTVSBZENJF-GOSISDBHSA-N 2 2 332.492 0.711 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941404665 610721086 /nfs/dbraw/zinc/72/10/86/610721086.db2.gz MISISTVSBZENJF-GOSISDBHSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccn(C)n1 ZINC001024987486 738461699 /nfs/dbraw/zinc/46/16/99/738461699.db2.gz LTWXPKIBZFYBBG-MSOLQXFVSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccn(C)n1 ZINC001024987486 738461704 /nfs/dbraw/zinc/46/17/04/738461704.db2.gz LTWXPKIBZFYBBG-MSOLQXFVSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069979962 790273268 /nfs/dbraw/zinc/27/32/68/790273268.db2.gz UTHWGJJBVGRBCP-CVEARBPZSA-N 2 2 335.371 0.214 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069979962 790273272 /nfs/dbraw/zinc/27/32/72/790273272.db2.gz UTHWGJJBVGRBCP-CVEARBPZSA-N 2 2 335.371 0.214 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000969866667 732465215 /nfs/dbraw/zinc/46/52/15/732465215.db2.gz YWXPEANUDGYQIH-RDJZCZTQSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000969866667 732465218 /nfs/dbraw/zinc/46/52/18/732465218.db2.gz YWXPEANUDGYQIH-RDJZCZTQSA-N 2 2 346.475 0.143 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1=O ZINC000970484616 733602264 /nfs/dbraw/zinc/60/22/64/733602264.db2.gz KNIHLVLYKNUMJQ-ZIAGYGMSSA-N 2 2 345.447 0.665 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)C1=O ZINC000970609049 733736461 /nfs/dbraw/zinc/73/64/61/733736461.db2.gz ASZZUTPJYAFBLZ-ZBFHGGJFSA-N 2 2 345.447 0.330 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1=O ZINC001167429011 734225970 /nfs/dbraw/zinc/22/59/70/734225970.db2.gz OTEOGSLXKOUKQV-CABCVRRESA-N 2 2 333.436 0.717 20 30 ECEDLP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C2)C1 ZINC000972416268 736154083 /nfs/dbraw/zinc/15/40/83/736154083.db2.gz GOQCKPOJHUUGKP-HKUYNNGSSA-N 2 2 329.444 0.411 20 30 ECEDLP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C2)C1 ZINC000972416268 736154084 /nfs/dbraw/zinc/15/40/84/736154084.db2.gz GOQCKPOJHUUGKP-HKUYNNGSSA-N 2 2 329.444 0.411 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC#C)C2)C1 ZINC000972416268 736154087 /nfs/dbraw/zinc/15/40/87/736154087.db2.gz GOQCKPOJHUUGKP-HKUYNNGSSA-N 2 2 329.444 0.411 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC#C)C2)C1 ZINC000972416268 736154089 /nfs/dbraw/zinc/15/40/89/736154089.db2.gz GOQCKPOJHUUGKP-HKUYNNGSSA-N 2 2 329.444 0.411 20 30 ECEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475518 736292440 /nfs/dbraw/zinc/29/24/40/736292440.db2.gz NXHPEKRPWBGDMN-KXWSQRDISA-N 2 2 347.459 0.339 20 30 ECEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475518 736292443 /nfs/dbraw/zinc/29/24/43/736292443.db2.gz NXHPEKRPWBGDMN-KXWSQRDISA-N 2 2 347.459 0.339 20 30 ECEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475518 736292448 /nfs/dbraw/zinc/29/24/48/736292448.db2.gz NXHPEKRPWBGDMN-KXWSQRDISA-N 2 2 347.459 0.339 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC001023424123 736806630 /nfs/dbraw/zinc/80/66/30/736806630.db2.gz OLFFTBVGEYZWOB-CVEARBPZSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC001023424123 736806631 /nfs/dbraw/zinc/80/66/31/736806631.db2.gz OLFFTBVGEYZWOB-CVEARBPZSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001023424123 736806633 /nfs/dbraw/zinc/80/66/33/736806633.db2.gz OLFFTBVGEYZWOB-CVEARBPZSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(=O)N(C)C)C1 ZINC001023424123 736806634 /nfs/dbraw/zinc/80/66/34/736806634.db2.gz OLFFTBVGEYZWOB-CVEARBPZSA-N 2 2 334.464 0.000 20 30 ECEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972617627 737108620 /nfs/dbraw/zinc/10/86/20/737108620.db2.gz RINZXNURBHZOHA-GOSISDBHSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972617627 737108624 /nfs/dbraw/zinc/10/86/24/737108624.db2.gz RINZXNURBHZOHA-GOSISDBHSA-N 2 2 337.464 0.587 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972679382 737362291 /nfs/dbraw/zinc/36/22/91/737362291.db2.gz YRZRRISOYPUAPO-HKUYNNGSSA-N 2 2 349.475 0.281 20 30 ECEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972679382 737362296 /nfs/dbraw/zinc/36/22/96/737362296.db2.gz YRZRRISOYPUAPO-HKUYNNGSSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)nn1 ZINC001105292307 741656023 /nfs/dbraw/zinc/65/60/23/741656023.db2.gz JHLZGAVLPDFMAR-KRWDZBQOSA-N 2 2 342.447 0.259 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001027141057 742729471 /nfs/dbraw/zinc/72/94/71/742729471.db2.gz UMFPIYHUXCVJHU-KBPBESRZSA-N 2 2 331.420 0.177 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2CC)C1 ZINC000998922592 744406972 /nfs/dbraw/zinc/40/69/72/744406972.db2.gz KFDHQUYJVRHARB-GPANFISMSA-N 2 2 344.463 0.475 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2CC)C1 ZINC000998922592 744406977 /nfs/dbraw/zinc/40/69/77/744406977.db2.gz KFDHQUYJVRHARB-GPANFISMSA-N 2 2 344.463 0.475 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC000999324743 744628581 /nfs/dbraw/zinc/62/85/81/744628581.db2.gz YFJPFMDOJANNFS-HOTGVXAUSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC000999324743 744628583 /nfs/dbraw/zinc/62/85/83/744628583.db2.gz YFJPFMDOJANNFS-HOTGVXAUSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000999391606 744671816 /nfs/dbraw/zinc/67/18/16/744671816.db2.gz MHOIZYAUQVQSNE-GJZGRUSLSA-N 2 2 330.436 0.291 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000999391606 744671819 /nfs/dbraw/zinc/67/18/19/744671819.db2.gz MHOIZYAUQVQSNE-GJZGRUSLSA-N 2 2 330.436 0.291 20 30 ECEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000999768880 744893101 /nfs/dbraw/zinc/89/31/01/744893101.db2.gz BQRKGXZOBICSHF-BBWFWOEESA-N 2 2 335.448 0.080 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1=O ZINC001167979775 744976069 /nfs/dbraw/zinc/97/60/69/744976069.db2.gz XDBFYNLCKDJLLY-HIFRSBDPSA-N 2 2 333.436 0.471 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1=O ZINC001167979775 744976074 /nfs/dbraw/zinc/97/60/74/744976074.db2.gz XDBFYNLCKDJLLY-HIFRSBDPSA-N 2 2 333.436 0.471 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001000691601 745703922 /nfs/dbraw/zinc/70/39/22/745703922.db2.gz ABJOFSNNIJDBKD-GOEBONIOSA-N 2 2 345.447 0.330 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004185 752041365 /nfs/dbraw/zinc/04/13/65/752041365.db2.gz USQYSXYZKDHVOB-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004185 752041370 /nfs/dbraw/zinc/04/13/70/752041370.db2.gz USQYSXYZKDHVOB-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004185 752041375 /nfs/dbraw/zinc/04/13/75/752041375.db2.gz USQYSXYZKDHVOB-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004185 752041381 /nfs/dbraw/zinc/04/13/81/752041381.db2.gz USQYSXYZKDHVOB-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005643 752042277 /nfs/dbraw/zinc/04/22/77/752042277.db2.gz ZEDLHSLLEOECMG-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005643 752042280 /nfs/dbraw/zinc/04/22/80/752042280.db2.gz ZEDLHSLLEOECMG-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005643 752042284 /nfs/dbraw/zinc/04/22/84/752042284.db2.gz ZEDLHSLLEOECMG-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005643 752042288 /nfs/dbraw/zinc/04/22/88/752042288.db2.gz ZEDLHSLLEOECMG-QZTJIDSGSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001027702233 746915822 /nfs/dbraw/zinc/91/58/22/746915822.db2.gz YNEUSYDCJQATNN-CVEARBPZSA-N 2 2 345.447 0.593 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001027702233 746915827 /nfs/dbraw/zinc/91/58/27/746915827.db2.gz YNEUSYDCJQATNN-CVEARBPZSA-N 2 2 345.447 0.593 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)nn1 ZINC001105342382 747567774 /nfs/dbraw/zinc/56/77/74/747567774.db2.gz AGJSTCNXDSYEGH-RDJZCZTQSA-N 2 2 342.447 0.401 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)nn1 ZINC001105342382 747567778 /nfs/dbraw/zinc/56/77/78/747567778.db2.gz AGJSTCNXDSYEGH-RDJZCZTQSA-N 2 2 342.447 0.401 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2nnc(C)o2)CC1 ZINC000985477008 748213135 /nfs/dbraw/zinc/21/31/35/748213135.db2.gz YMWJJZLNTCAMHL-INIZCTEOSA-N 2 2 345.447 0.898 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2nnc(C)o2)CC1 ZINC000985477008 748213141 /nfs/dbraw/zinc/21/31/41/748213141.db2.gz YMWJJZLNTCAMHL-INIZCTEOSA-N 2 2 345.447 0.898 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2nnc(C)o2)CC1 ZINC000985477008 748213149 /nfs/dbraw/zinc/21/31/49/748213149.db2.gz YMWJJZLNTCAMHL-INIZCTEOSA-N 2 2 345.447 0.898 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2nnc(C)o2)CC1 ZINC000985477008 748213157 /nfs/dbraw/zinc/21/31/57/748213157.db2.gz YMWJJZLNTCAMHL-INIZCTEOSA-N 2 2 345.447 0.898 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001098728407 748519816 /nfs/dbraw/zinc/51/98/16/748519816.db2.gz OSUFYEFFUCCWEC-DOTOQJQBSA-N 2 2 344.463 0.649 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001098728407 748519825 /nfs/dbraw/zinc/51/98/25/748519825.db2.gz OSUFYEFFUCCWEC-DOTOQJQBSA-N 2 2 344.463 0.649 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC000985816873 749161082 /nfs/dbraw/zinc/16/10/82/749161082.db2.gz RVWLIFGDUNNODX-MRXNPFEDSA-N 2 2 345.447 0.593 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC000985816873 749161086 /nfs/dbraw/zinc/16/10/86/749161086.db2.gz RVWLIFGDUNNODX-MRXNPFEDSA-N 2 2 345.447 0.593 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CC=C)nn2)C1 ZINC001098683156 753691414 /nfs/dbraw/zinc/69/14/14/753691414.db2.gz RGXIVXFBJCMYAO-SJORKVTESA-N 2 2 342.447 0.425 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](n2cc(C[NH2+]CC=C)nn2)C1 ZINC001098683156 753691419 /nfs/dbraw/zinc/69/14/19/753691419.db2.gz RGXIVXFBJCMYAO-SJORKVTESA-N 2 2 342.447 0.425 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)nn1 ZINC001098685263 753764810 /nfs/dbraw/zinc/76/48/10/753764810.db2.gz DHHJAVOATMGPQD-JKSUJKDBSA-N 2 2 332.452 0.505 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001028600848 753875018 /nfs/dbraw/zinc/87/50/18/753875018.db2.gz FHXGAZOQACAXAN-SJORKVTESA-N 2 2 343.475 0.939 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001028600848 753875028 /nfs/dbraw/zinc/87/50/28/753875028.db2.gz FHXGAZOQACAXAN-SJORKVTESA-N 2 2 343.475 0.939 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2nccn2CC)C1 ZINC001028600848 753875034 /nfs/dbraw/zinc/87/50/34/753875034.db2.gz FHXGAZOQACAXAN-SJORKVTESA-N 2 2 343.475 0.939 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2nccn2CC)C1 ZINC001028600848 753875040 /nfs/dbraw/zinc/87/50/40/753875040.db2.gz FHXGAZOQACAXAN-SJORKVTESA-N 2 2 343.475 0.939 20 30 ECEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](O)C1 ZINC001083468274 755176719 /nfs/dbraw/zinc/17/67/19/755176719.db2.gz QDLSYVIOSDXWFL-VQHPVUNQSA-N 2 2 344.459 0.891 20 30 ECEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](O)C1 ZINC001083468274 755176722 /nfs/dbraw/zinc/17/67/22/755176722.db2.gz QDLSYVIOSDXWFL-VQHPVUNQSA-N 2 2 344.459 0.891 20 30 ECEDLP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)CCO3)nn2)C1 ZINC001107149841 757053531 /nfs/dbraw/zinc/05/35/31/757053531.db2.gz SERNNRTXBCHWEH-MRXNPFEDSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC001107149841 757053542 /nfs/dbraw/zinc/05/35/42/757053542.db2.gz SERNNRTXBCHWEH-MRXNPFEDSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CCCC[NH+]1CC(n2cc(CNC(=O)Cn3cc[nH+]c3C)nn2)C1 ZINC001107236474 758025926 /nfs/dbraw/zinc/02/59/26/758025926.db2.gz XVSHWBMUEGQICY-UHFFFAOYSA-N 2 2 343.435 0.922 20 30 ECEDLP C=CC[NH+]1CC(n2cc(CNC(=O)CCC[NH+]3CCCC3)nn2)C1 ZINC001107238857 758034537 /nfs/dbraw/zinc/03/45/37/758034537.db2.gz UCVWAYKINWEJKZ-UHFFFAOYSA-N 2 2 332.452 0.813 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@H](C)c3cnccn3)C2)CC1 ZINC001032206584 759636517 /nfs/dbraw/zinc/63/65/17/759636517.db2.gz DKGRHPRRQJQTJN-OAHLLOKOSA-N 2 2 341.459 0.931 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cnc(C)cn3)C2)CC1 ZINC001032207371 759642692 /nfs/dbraw/zinc/64/26/92/759642692.db2.gz OPFNSTJPGIURKF-UHFFFAOYSA-N 2 2 341.459 0.678 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001054296182 767904680 /nfs/dbraw/zinc/90/46/80/767904680.db2.gz LASVZKROHZLCMV-XHSDSOJGSA-N 2 2 344.463 0.554 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001054296182 767904683 /nfs/dbraw/zinc/90/46/83/767904683.db2.gz LASVZKROHZLCMV-XHSDSOJGSA-N 2 2 344.463 0.554 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001030026436 760727298 /nfs/dbraw/zinc/72/72/98/760727298.db2.gz XEZBAULDNUGEOP-IXDOHACOSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001030026436 760727303 /nfs/dbraw/zinc/72/73/03/760727303.db2.gz XEZBAULDNUGEOP-IXDOHACOSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)C1=O ZINC001030026436 760727308 /nfs/dbraw/zinc/72/73/08/760727308.db2.gz XEZBAULDNUGEOP-IXDOHACOSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)C1=O ZINC001030026436 760727312 /nfs/dbraw/zinc/72/73/12/760727312.db2.gz XEZBAULDNUGEOP-IXDOHACOSA-N 2 2 348.491 0.838 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@@H](C)F)CC1 ZINC001051254273 761773129 /nfs/dbraw/zinc/77/31/29/761773129.db2.gz GKMVZJXBMPTMPP-NVXWUHKLSA-N 2 2 339.455 0.897 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001051254273 761773136 /nfs/dbraw/zinc/77/31/36/761773136.db2.gz GKMVZJXBMPTMPP-NVXWUHKLSA-N 2 2 339.455 0.897 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2C[C@H](C)OC)CC1 ZINC001051256080 761776427 /nfs/dbraw/zinc/77/64/27/761776427.db2.gz UOZLRSVTEDHMTL-DOTOQJQBSA-N 2 2 337.464 0.184 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2C[C@H](C)OC)CC1 ZINC001051256080 761776432 /nfs/dbraw/zinc/77/64/32/761776432.db2.gz UOZLRSVTEDHMTL-DOTOQJQBSA-N 2 2 337.464 0.184 20 30 ECEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001014924696 763465891 /nfs/dbraw/zinc/46/58/91/763465891.db2.gz NNYGSKHMJAHDJD-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001014924696 763465897 /nfs/dbraw/zinc/46/58/97/763465897.db2.gz NNYGSKHMJAHDJD-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001014924696 763465904 /nfs/dbraw/zinc/46/59/04/763465904.db2.gz NNYGSKHMJAHDJD-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001014924696 763465909 /nfs/dbraw/zinc/46/59/09/763465909.db2.gz NNYGSKHMJAHDJD-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H]2C)C1=O ZINC001089005991 764753642 /nfs/dbraw/zinc/75/36/42/764753642.db2.gz JDPQPIAYBFCMLW-IJEWVQPXSA-N 2 2 345.447 0.627 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H]2C)C1=O ZINC001089005991 764753648 /nfs/dbraw/zinc/75/36/48/764753648.db2.gz JDPQPIAYBFCMLW-IJEWVQPXSA-N 2 2 345.447 0.627 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@@H]2C)CC1 ZINC001089060087 764918312 /nfs/dbraw/zinc/91/83/12/764918312.db2.gz SDVBREAMFZHENN-PBHICJAKSA-N 2 2 344.463 0.239 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@@H]2C)CC1 ZINC001089060087 764918318 /nfs/dbraw/zinc/91/83/18/764918318.db2.gz SDVBREAMFZHENN-PBHICJAKSA-N 2 2 344.463 0.239 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cncn3C)C2)CC1 ZINC001016338234 766146497 /nfs/dbraw/zinc/14/64/97/766146497.db2.gz XRSIMYFDKRQXAY-MRXNPFEDSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cncn3C)C2)CC1 ZINC001016338234 766146502 /nfs/dbraw/zinc/14/65/02/766146502.db2.gz XRSIMYFDKRQXAY-MRXNPFEDSA-N 2 2 329.448 0.456 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)c1cnn(CC[NH+](C)C)c1)CCO2 ZINC001053466590 766180103 /nfs/dbraw/zinc/18/01/03/766180103.db2.gz UQMIXQRPMURNCA-UHFFFAOYSA-N 2 2 347.463 0.548 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)O2 ZINC001053618131 766443989 /nfs/dbraw/zinc/44/39/89/766443989.db2.gz QEVDELLOQNMJSZ-OWCLPIDISA-N 2 2 337.464 0.631 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)O2 ZINC001053618131 766443994 /nfs/dbraw/zinc/44/39/94/766443994.db2.gz QEVDELLOQNMJSZ-OWCLPIDISA-N 2 2 337.464 0.631 20 30 ECEDLP N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046029877 766695886 /nfs/dbraw/zinc/69/58/86/766695886.db2.gz DOGRYLMPFNACHA-DLBZAZTESA-N 2 2 331.464 0.070 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001046034720 766716322 /nfs/dbraw/zinc/71/63/22/766716322.db2.gz YLQIARBCZKTWAR-KRWDZBQOSA-N 2 2 329.448 0.584 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001046034720 766716326 /nfs/dbraw/zinc/71/63/26/766716326.db2.gz YLQIARBCZKTWAR-KRWDZBQOSA-N 2 2 329.448 0.584 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001046034720 766716332 /nfs/dbraw/zinc/71/63/32/766716332.db2.gz YLQIARBCZKTWAR-KRWDZBQOSA-N 2 2 329.448 0.584 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001046034720 766716339 /nfs/dbraw/zinc/71/63/39/766716339.db2.gz YLQIARBCZKTWAR-KRWDZBQOSA-N 2 2 329.448 0.584 20 30 ECEDLP C#CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001054058975 767655794 /nfs/dbraw/zinc/65/57/94/767655794.db2.gz CIDJEXSWEDBLBP-MOPGFXCFSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001054058975 767655798 /nfs/dbraw/zinc/65/57/98/767655798.db2.gz CIDJEXSWEDBLBP-MOPGFXCFSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001054058975 767655803 /nfs/dbraw/zinc/65/58/03/767655803.db2.gz CIDJEXSWEDBLBP-MOPGFXCFSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001054058975 767655807 /nfs/dbraw/zinc/65/58/07/767655807.db2.gz CIDJEXSWEDBLBP-MOPGFXCFSA-N 2 2 341.455 0.883 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001018391098 769275560 /nfs/dbraw/zinc/27/55/60/769275560.db2.gz CLXCOTMCZBCWTJ-QGZVFWFLSA-N 2 2 348.491 0.651 20 30 ECEDLP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001055631816 769305896 /nfs/dbraw/zinc/30/58/96/769305896.db2.gz KWNQHEAKKWBDGA-AWEZNQCLSA-N 2 2 346.435 0.130 20 30 ECEDLP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001055631817 769305975 /nfs/dbraw/zinc/30/59/75/769305975.db2.gz KWNQHEAKKWBDGA-CQSZACIVSA-N 2 2 346.435 0.130 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC001018986212 770485623 /nfs/dbraw/zinc/48/56/23/770485623.db2.gz WAEPRDKOPVZLBU-KBPBESRZSA-N 2 2 349.866 0.862 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC001018986212 770485624 /nfs/dbraw/zinc/48/56/24/770485624.db2.gz WAEPRDKOPVZLBU-KBPBESRZSA-N 2 2 349.866 0.862 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001056065812 770726065 /nfs/dbraw/zinc/72/60/65/770726065.db2.gz YNTUECBNMYKKMH-INIZCTEOSA-N 2 2 327.432 0.840 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001056065812 770726075 /nfs/dbraw/zinc/72/60/75/770726075.db2.gz YNTUECBNMYKKMH-INIZCTEOSA-N 2 2 327.432 0.840 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCn3nc(C)cc3C)C2)CC1 ZINC001031435371 771070317 /nfs/dbraw/zinc/07/03/17/771070317.db2.gz YODDZWQENJQJJP-UHFFFAOYSA-N 2 2 343.475 0.646 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(OC)no1 ZINC001045073702 774936201 /nfs/dbraw/zinc/93/62/01/774936201.db2.gz NPWSIKCWYIFVQM-HOCLYGCPSA-N 2 2 346.431 0.861 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cc(OC)no1 ZINC001045073702 774936207 /nfs/dbraw/zinc/93/62/07/774936207.db2.gz NPWSIKCWYIFVQM-HOCLYGCPSA-N 2 2 346.431 0.861 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1n1ccnn1 ZINC001070239463 783722939 /nfs/dbraw/zinc/72/29/39/783722939.db2.gz PGXIZQXIOPYULV-KGLIPLIRSA-N 2 2 329.408 0.172 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cn(C)cn1 ZINC001070554740 784266513 /nfs/dbraw/zinc/26/65/13/784266513.db2.gz XKVCZLFJSBBYOH-GOEBONIOSA-N 2 2 328.420 0.466 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001070971789 784276904 /nfs/dbraw/zinc/27/69/04/784276904.db2.gz RNSBARLBDLRPSZ-KRWDZBQOSA-N 2 2 338.496 0.799 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001070971789 784276907 /nfs/dbraw/zinc/27/69/07/784276907.db2.gz RNSBARLBDLRPSZ-KRWDZBQOSA-N 2 2 338.496 0.799 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071218342 784762094 /nfs/dbraw/zinc/76/20/94/784762094.db2.gz MGPWKUIFNPUWOL-IEBWSBKVSA-N 2 2 349.475 0.424 20 30 ECEDLP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071218342 784762099 /nfs/dbraw/zinc/76/20/99/784762099.db2.gz MGPWKUIFNPUWOL-IEBWSBKVSA-N 2 2 349.475 0.424 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C)C1=O ZINC001075072966 788852015 /nfs/dbraw/zinc/85/20/15/788852015.db2.gz LIYAIUAITRUMMB-SOUVJXGZSA-N 2 2 345.447 0.627 20 30 ECEDLP C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001075398234 789324389 /nfs/dbraw/zinc/32/43/89/789324389.db2.gz YKVMJKPJAWMYLE-JKSUJKDBSA-N 2 2 330.432 0.961 20 30 ECEDLP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267488942 837552729 /nfs/dbraw/zinc/55/27/29/837552729.db2.gz SDBFBHJVZZLAOP-GJZGRUSLSA-N 2 2 337.468 0.279 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001266333586 835716464 /nfs/dbraw/zinc/71/64/64/835716464.db2.gz QDPDZJUDLZNFGP-HUUCEWRRSA-N 2 2 331.420 0.251 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001266333586 835716467 /nfs/dbraw/zinc/71/64/67/835716467.db2.gz QDPDZJUDLZNFGP-HUUCEWRRSA-N 2 2 331.420 0.251 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266358620 835765979 /nfs/dbraw/zinc/76/59/79/835765979.db2.gz FLTABJCPBAOKMR-MRXNPFEDSA-N 2 2 334.464 0.473 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266358620 835765987 /nfs/dbraw/zinc/76/59/87/835765987.db2.gz FLTABJCPBAOKMR-MRXNPFEDSA-N 2 2 334.464 0.473 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266520298 835933248 /nfs/dbraw/zinc/93/32/48/835933248.db2.gz KDMAHYDDRQUOPP-CYBMUJFWSA-N 2 2 349.435 0.090 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266520298 835933251 /nfs/dbraw/zinc/93/32/51/835933251.db2.gz KDMAHYDDRQUOPP-CYBMUJFWSA-N 2 2 349.435 0.090 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266546679 835967768 /nfs/dbraw/zinc/96/77/68/835967768.db2.gz VFEGPIQFDZYZID-KGLIPLIRSA-N 2 2 333.436 0.389 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266546679 835967764 /nfs/dbraw/zinc/96/77/64/835967764.db2.gz VFEGPIQFDZYZID-KGLIPLIRSA-N 2 2 333.436 0.389 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C1CC1)[C@@H]1CCN(CC)C1=O ZINC001266597273 836028760 /nfs/dbraw/zinc/02/87/60/836028760.db2.gz XZAQWHBFVWULJB-DLBZAZTESA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C1CC1)[C@@H]1CCN(CC)C1=O ZINC001266597273 836028770 /nfs/dbraw/zinc/02/87/70/836028770.db2.gz XZAQWHBFVWULJB-DLBZAZTESA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C1CC1)[C@@H]1CCN(CC)C1=O ZINC001266597273 836028781 /nfs/dbraw/zinc/02/87/81/836028781.db2.gz XZAQWHBFVWULJB-DLBZAZTESA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C1CC1)[C@@H]1CCN(CC)C1=O ZINC001266597273 836028794 /nfs/dbraw/zinc/02/87/94/836028794.db2.gz XZAQWHBFVWULJB-DLBZAZTESA-N 2 2 346.475 0.285 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](CCNC(=O)Cn2cc[nH+]c2C)C2CC2)C1=O ZINC001266619598 836056860 /nfs/dbraw/zinc/05/68/60/836056860.db2.gz UPZUFUSWODOSOU-MRXNPFEDSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](CCNC(=O)Cn2cc[nH+]c2C)C2CC2)C1=O ZINC001266619598 836056870 /nfs/dbraw/zinc/05/68/70/836056870.db2.gz UPZUFUSWODOSOU-MRXNPFEDSA-N 2 2 345.447 0.559 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC001266951503 836517794 /nfs/dbraw/zinc/51/77/94/836517794.db2.gz UWZMYGITMVQWJG-OLZOCXBDSA-N 2 2 337.855 0.765 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC001266951503 836517797 /nfs/dbraw/zinc/51/77/97/836517797.db2.gz UWZMYGITMVQWJG-OLZOCXBDSA-N 2 2 337.855 0.765 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267694107 838275998 /nfs/dbraw/zinc/27/59/98/838275998.db2.gz AYVSLDCKYCDKFF-OAHLLOKOSA-N 2 2 336.480 0.601 20 30 ECEDLP CC(C)[C@@H](C(=O)N1CCC2(C[NH+](CC(=O)NCC#N)C2)CC1)[NH+](C)C ZINC001268044666 839203186 /nfs/dbraw/zinc/20/31/86/839203186.db2.gz HRYVAWKFVWSMCV-INIZCTEOSA-N 2 2 349.479 0.137 20 30 ECEDLP Cc1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1C#N ZINC000443999176 211047252 /nfs/dbraw/zinc/04/72/52/211047252.db2.gz XWWKTJCLWRGXOF-GOSISDBHSA-N 2 2 342.443 0.889 20 30 ECEDLP C=CCC[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000276343562 437091573 /nfs/dbraw/zinc/09/15/73/437091573.db2.gz CMTRFTZYFDDOPC-UHFFFAOYSA-N 2 2 343.435 0.520 20 30 ECEDLP C=CCC[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000276343562 437091577 /nfs/dbraw/zinc/09/15/77/437091577.db2.gz CMTRFTZYFDDOPC-UHFFFAOYSA-N 2 2 343.435 0.520 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177487475 437188519 /nfs/dbraw/zinc/18/85/19/437188519.db2.gz MEZCRFSBNNEQTE-CQSZACIVSA-N 2 2 340.468 0.866 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183561708 437386534 /nfs/dbraw/zinc/38/65/34/437386534.db2.gz ZBKGEOZFLWIPAY-UHFFFAOYSA-N 2 2 343.431 0.045 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183561708 437386538 /nfs/dbraw/zinc/38/65/38/437386538.db2.gz ZBKGEOZFLWIPAY-UHFFFAOYSA-N 2 2 343.431 0.045 20 30 ECEDLP Cn1c[nH+]cc1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329629428 437393256 /nfs/dbraw/zinc/39/32/56/437393256.db2.gz VAIFASWSZCAUGZ-UHFFFAOYSA-N 3 2 334.468 0.982 20 30 ECEDLP Cn1cncc1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329629428 437393261 /nfs/dbraw/zinc/39/32/61/437393261.db2.gz VAIFASWSZCAUGZ-UHFFFAOYSA-N 2 2 334.468 0.982 20 30 ECEDLP O=C(NCC[NH+]1CCOCC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330191318 437466349 /nfs/dbraw/zinc/46/63/49/437466349.db2.gz WYCPCNMXVUDXCM-HZPDHXFCSA-N 2 2 340.468 0.200 20 30 ECEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330542733 437547180 /nfs/dbraw/zinc/54/71/80/437547180.db2.gz XAWYDTANYWIJQE-LMMKCTJWSA-N 2 2 349.523 0.999 20 30 ECEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330542733 437547187 /nfs/dbraw/zinc/54/71/87/437547187.db2.gz XAWYDTANYWIJQE-LMMKCTJWSA-N 2 2 349.523 0.999 20 30 ECEDLP CN(CCC[N@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1)CC[NH+](C)C ZINC000344059379 437725260 /nfs/dbraw/zinc/72/52/60/437725260.db2.gz LSYNZQKGOYYIDF-QGZVFWFLSA-N 2 2 331.464 0.900 20 30 ECEDLP CN(CCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1)CC[NH+](C)C ZINC000344059379 437725262 /nfs/dbraw/zinc/72/52/62/437725262.db2.gz LSYNZQKGOYYIDF-QGZVFWFLSA-N 2 2 331.464 0.900 20 30 ECEDLP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000424158984 437895993 /nfs/dbraw/zinc/89/59/93/437895993.db2.gz RTGPNLIEYSWPNK-HIFRSBDPSA-N 2 2 326.466 0.332 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000352227201 438399909 /nfs/dbraw/zinc/39/99/09/438399909.db2.gz LXLYEDOYNFZUBF-AWEZNQCLSA-N 2 2 345.451 0.425 20 30 ECEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000577474801 438843260 /nfs/dbraw/zinc/84/32/60/438843260.db2.gz LGMFFIKJQDBLDN-IAGOWNOFSA-N 3 2 337.512 0.969 20 30 ECEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000577474801 438843267 /nfs/dbraw/zinc/84/32/67/438843267.db2.gz LGMFFIKJQDBLDN-IAGOWNOFSA-N 3 2 337.512 0.969 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000591726546 439077023 /nfs/dbraw/zinc/07/70/23/439077023.db2.gz KYOJRHLDNDDJEQ-GJZGRUSLSA-N 2 2 334.445 0.943 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1 ZINC000591726546 439077029 /nfs/dbraw/zinc/07/70/29/439077029.db2.gz KYOJRHLDNDDJEQ-GJZGRUSLSA-N 2 2 334.445 0.943 20 30 ECEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000527049804 439251036 /nfs/dbraw/zinc/25/10/36/439251036.db2.gz QHPOCDNGDJAJLV-ZACQAIPSSA-N 2 2 347.507 0.895 20 30 ECEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000527049804 439251041 /nfs/dbraw/zinc/25/10/41/439251041.db2.gz QHPOCDNGDJAJLV-ZACQAIPSSA-N 2 2 347.507 0.895 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)CC1 ZINC000490933950 439313039 /nfs/dbraw/zinc/31/30/39/439313039.db2.gz GWKKCVJCXYFNMC-RDJZCZTQSA-N 2 2 327.428 0.918 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC(NC(C)=O)CC2)CC1 ZINC000490949010 439318244 /nfs/dbraw/zinc/31/82/44/439318244.db2.gz HYFNOMFDHZHBPE-UHFFFAOYSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CCC(NC(C)=O)CC2)CC1 ZINC000490949010 439318250 /nfs/dbraw/zinc/31/82/50/439318250.db2.gz HYFNOMFDHZHBPE-UHFFFAOYSA-N 2 2 334.464 0.143 20 30 ECEDLP Cn1cc[nH+]c1CN1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599289908 439422158 /nfs/dbraw/zinc/42/21/58/439422158.db2.gz MFIMFNZRYGOJTQ-MRXNPFEDSA-N 2 2 347.463 0.609 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CCNC(C)=O)C2)CC1 ZINC000491777332 439448116 /nfs/dbraw/zinc/44/81/16/439448116.db2.gz WVYZCXMZZZJLRG-KRWDZBQOSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)CC1 ZINC000491777332 439448120 /nfs/dbraw/zinc/44/81/20/439448120.db2.gz WVYZCXMZZZJLRG-KRWDZBQOSA-N 2 2 334.464 0.002 20 30 ECEDLP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000594436208 439560540 /nfs/dbraw/zinc/56/05/40/439560540.db2.gz BVQUAHFNXUILCD-GDBMZVCRSA-N 2 2 340.493 0.722 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000594821814 439621239 /nfs/dbraw/zinc/62/12/39/439621239.db2.gz OILMBDSVSZRFSC-UHFFFAOYSA-N 2 2 338.477 0.861 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000594821814 439621243 /nfs/dbraw/zinc/62/12/43/439621243.db2.gz OILMBDSVSZRFSC-UHFFFAOYSA-N 2 2 338.477 0.861 20 30 ECEDLP C=C(CNC(=O)Cn1c[nH+]cc1C)CNC(=O)Cn1c[nH+]cc1C ZINC000628153646 440426414 /nfs/dbraw/zinc/42/64/14/440426414.db2.gz YVUFONGTPFGBFA-UHFFFAOYSA-N 2 2 330.392 0.185 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667492042 547525507 /nfs/dbraw/zinc/52/55/07/547525507.db2.gz SJLKIVJHHGBJSA-UHFFFAOYSA-N 2 2 340.431 0.687 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)CC1 ZINC000748814225 579329112 /nfs/dbraw/zinc/32/91/12/579329112.db2.gz WTEKKYDXVUAHDF-QGZVFWFLSA-N 2 2 341.459 0.742 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)CC1 ZINC000748814225 579329113 /nfs/dbraw/zinc/32/91/13/579329113.db2.gz WTEKKYDXVUAHDF-QGZVFWFLSA-N 2 2 341.459 0.742 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)CC1 ZINC000766977101 579098955 /nfs/dbraw/zinc/09/89/55/579098955.db2.gz PXOQBNZVCMEDEX-AEFFLSMTSA-N 2 2 329.444 0.518 20 30 ECEDLP C=CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000839247891 586843475 /nfs/dbraw/zinc/84/34/75/586843475.db2.gz LRVMQAMNOHPLGY-UHFFFAOYSA-N 2 2 338.496 0.894 20 30 ECEDLP C=CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000839247891 586843477 /nfs/dbraw/zinc/84/34/77/586843477.db2.gz LRVMQAMNOHPLGY-UHFFFAOYSA-N 2 2 338.496 0.894 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000905447698 586892257 /nfs/dbraw/zinc/89/22/57/586892257.db2.gz SWOMMCRTYVPVTO-IRXDYDNUSA-N 2 2 336.480 0.427 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000905447700 586892439 /nfs/dbraw/zinc/89/24/39/586892439.db2.gz SWOMMCRTYVPVTO-SJORKVTESA-N 2 2 336.480 0.427 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C(C)C)C2(CO)CC=CC2)CC1 ZINC000830526408 588374872 /nfs/dbraw/zinc/37/48/72/588374872.db2.gz MTKIATVUTQIWGB-SFHVURJKSA-N 2 2 333.476 0.707 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000846123269 589185770 /nfs/dbraw/zinc/18/57/70/589185770.db2.gz FOGQXEGYFSOOKO-PBHICJAKSA-N 2 2 330.432 0.255 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000846123269 589185772 /nfs/dbraw/zinc/18/57/72/589185772.db2.gz FOGQXEGYFSOOKO-PBHICJAKSA-N 2 2 330.432 0.255 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849540102 589340108 /nfs/dbraw/zinc/34/01/08/589340108.db2.gz BKEVFFLXJIFZPL-DLBZAZTESA-N 2 2 329.448 0.233 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849540102 589340110 /nfs/dbraw/zinc/34/01/10/589340110.db2.gz BKEVFFLXJIFZPL-DLBZAZTESA-N 2 2 329.448 0.233 20 30 ECEDLP COC[C@H](CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1)OC ZINC000853657492 589554012 /nfs/dbraw/zinc/55/40/12/589554012.db2.gz FKQBQZYGCJHUGB-MRXNPFEDSA-N 2 2 337.420 0.817 20 30 ECEDLP C#C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCOCC1 ZINC000853913102 589564265 /nfs/dbraw/zinc/56/42/65/589564265.db2.gz DCSJMIDIHIWCSB-QGZVFWFLSA-N 2 2 336.480 0.740 20 30 ECEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876781271 590414711 /nfs/dbraw/zinc/41/47/11/590414711.db2.gz DXKYKUCUBOCXCC-RDTXWAMCSA-N 2 2 341.459 0.497 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000884176822 590762680 /nfs/dbraw/zinc/76/26/80/590762680.db2.gz QXDCTXOGMBCEJQ-JTQLQIEISA-N 2 2 338.433 0.906 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000884176822 590762682 /nfs/dbraw/zinc/76/26/82/590762682.db2.gz QXDCTXOGMBCEJQ-JTQLQIEISA-N 2 2 338.433 0.906 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450200 590832186 /nfs/dbraw/zinc/83/21/86/590832186.db2.gz AQVMPKAIJSCYMA-MWDXBVQZSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450200 590832191 /nfs/dbraw/zinc/83/21/91/590832191.db2.gz AQVMPKAIJSCYMA-MWDXBVQZSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450200 590832195 /nfs/dbraw/zinc/83/21/95/590832195.db2.gz AQVMPKAIJSCYMA-MWDXBVQZSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450200 590832200 /nfs/dbraw/zinc/83/22/00/590832200.db2.gz AQVMPKAIJSCYMA-MWDXBVQZSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000890367478 591152757 /nfs/dbraw/zinc/15/27/57/591152757.db2.gz MSZAHRJKFHUECW-KRWDZBQOSA-N 2 2 335.496 0.363 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000890367478 591152761 /nfs/dbraw/zinc/15/27/61/591152761.db2.gz MSZAHRJKFHUECW-KRWDZBQOSA-N 2 2 335.496 0.363 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000890367478 591152762 /nfs/dbraw/zinc/15/27/62/591152762.db2.gz MSZAHRJKFHUECW-KRWDZBQOSA-N 2 2 335.496 0.363 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000890367478 591152765 /nfs/dbraw/zinc/15/27/65/591152765.db2.gz MSZAHRJKFHUECW-KRWDZBQOSA-N 2 2 335.496 0.363 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000938754802 609973173 /nfs/dbraw/zinc/97/31/73/609973173.db2.gz ONKLCCOBWCOILB-CVEARBPZSA-N 2 2 343.431 0.040 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000938754802 609973176 /nfs/dbraw/zinc/97/31/76/609973176.db2.gz ONKLCCOBWCOILB-CVEARBPZSA-N 2 2 343.431 0.040 20 30 ECEDLP C#CCC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]c[nH+]c1C)CCO2 ZINC000949235874 611913869 /nfs/dbraw/zinc/91/38/69/611913869.db2.gz CAGAKRWGBIWGFB-UHFFFAOYSA-N 2 2 330.432 0.977 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261991713 735301502 /nfs/dbraw/zinc/30/15/02/735301502.db2.gz RKPHBQFDPCQHGZ-GVDBMIGSSA-N 3 2 347.511 0.587 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261991713 735301506 /nfs/dbraw/zinc/30/15/06/735301506.db2.gz RKPHBQFDPCQHGZ-GVDBMIGSSA-N 3 2 347.511 0.587 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001024987790 738462352 /nfs/dbraw/zinc/46/23/52/738462352.db2.gz URDAEGOABWUNKP-IRXDYDNUSA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC001024987790 738462354 /nfs/dbraw/zinc/46/23/54/738462354.db2.gz URDAEGOABWUNKP-IRXDYDNUSA-N 2 2 344.463 0.383 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001069980447 790274302 /nfs/dbraw/zinc/27/43/02/790274302.db2.gz VSMYMEVPWKQMSQ-CABCVRRESA-N 2 2 329.408 0.401 20 30 ECEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001069980447 790274307 /nfs/dbraw/zinc/27/43/07/790274307.db2.gz VSMYMEVPWKQMSQ-CABCVRRESA-N 2 2 329.408 0.401 20 30 ECEDLP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000969439579 731879527 /nfs/dbraw/zinc/87/95/27/731879527.db2.gz BXQFRVMRJDMZER-KDOFPFPSSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000969439579 731879529 /nfs/dbraw/zinc/87/95/29/731879529.db2.gz BXQFRVMRJDMZER-KDOFPFPSSA-N 2 2 342.443 0.825 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1=O ZINC001025174662 738759824 /nfs/dbraw/zinc/75/98/24/738759824.db2.gz VGCXZSDJWUJIPJ-HZPDHXFCSA-N 2 2 345.447 0.641 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ncccn3)C2)CC1 ZINC000970792502 733943678 /nfs/dbraw/zinc/94/36/78/733943678.db2.gz LNDGRFNQTLHDDR-MRXNPFEDSA-N 2 2 327.432 0.512 20 30 ECEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001083210441 734197148 /nfs/dbraw/zinc/19/71/48/734197148.db2.gz CCACIPSOENHSMS-JKSUJKDBSA-N 2 2 330.432 0.941 20 30 ECEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@H]2C1 ZINC001083210441 734197150 /nfs/dbraw/zinc/19/71/50/734197150.db2.gz CCACIPSOENHSMS-JKSUJKDBSA-N 2 2 330.432 0.941 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(=O)N2CCCC2)C1 ZINC000971703364 734964458 /nfs/dbraw/zinc/96/44/58/734964458.db2.gz FPJFIHRHSAFVKY-SJORKVTESA-N 2 2 346.475 0.239 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)N2CCCC2)C1 ZINC000971703364 734964461 /nfs/dbraw/zinc/96/44/61/734964461.db2.gz FPJFIHRHSAFVKY-SJORKVTESA-N 2 2 346.475 0.239 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)ncn2)C1 ZINC000971703946 734965577 /nfs/dbraw/zinc/96/55/77/734965577.db2.gz NGMUVSBUOYWWBK-MSOLQXFVSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)ncn2)C1 ZINC000971703946 734965578 /nfs/dbraw/zinc/96/55/78/734965578.db2.gz NGMUVSBUOYWWBK-MSOLQXFVSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cc(C)ncn2)C1 ZINC000971703946 734965579 /nfs/dbraw/zinc/96/55/79/734965579.db2.gz NGMUVSBUOYWWBK-MSOLQXFVSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cc(C)ncn2)C1 ZINC000971703946 734965580 /nfs/dbraw/zinc/96/55/80/734965580.db2.gz NGMUVSBUOYWWBK-MSOLQXFVSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000972438701 736196116 /nfs/dbraw/zinc/19/61/16/736196116.db2.gz SYJPZFNYCXVJNJ-APWZRJJASA-N 2 2 342.443 0.772 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000972438701 736196118 /nfs/dbraw/zinc/19/61/18/736196118.db2.gz SYJPZFNYCXVJNJ-APWZRJJASA-N 2 2 342.443 0.772 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2O)CC1 ZINC001078227043 782523757 /nfs/dbraw/zinc/52/37/57/782523757.db2.gz GRBQJPMVIXFCEX-CDNPWBLBSA-N 2 2 325.840 0.245 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2O)CC1 ZINC001078227043 782523769 /nfs/dbraw/zinc/52/37/69/782523769.db2.gz GRBQJPMVIXFCEX-CDNPWBLBSA-N 2 2 325.840 0.245 20 30 ECEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972518421 736538424 /nfs/dbraw/zinc/53/84/24/736538424.db2.gz IVUQLKFBDJVQCD-AEFFLSMTSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972518421 736538429 /nfs/dbraw/zinc/53/84/29/736538429.db2.gz IVUQLKFBDJVQCD-AEFFLSMTSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972518421 736538433 /nfs/dbraw/zinc/53/84/33/736538433.db2.gz IVUQLKFBDJVQCD-AEFFLSMTSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972518421 736538435 /nfs/dbraw/zinc/53/84/35/736538435.db2.gz IVUQLKFBDJVQCD-AEFFLSMTSA-N 2 2 337.464 0.585 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972520763 736550215 /nfs/dbraw/zinc/55/02/15/736550215.db2.gz SXAQLSJPSPKEHV-PKOBYXMFSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972520763 736550217 /nfs/dbraw/zinc/55/02/17/736550217.db2.gz SXAQLSJPSPKEHV-PKOBYXMFSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972520763 736550218 /nfs/dbraw/zinc/55/02/18/736550218.db2.gz SXAQLSJPSPKEHV-PKOBYXMFSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972520763 736550220 /nfs/dbraw/zinc/55/02/20/736550220.db2.gz SXAQLSJPSPKEHV-PKOBYXMFSA-N 2 2 349.475 0.422 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262764586 737304425 /nfs/dbraw/zinc/30/44/25/737304425.db2.gz FQFPJIUCXHXIBI-ZIAGYGMSSA-N 3 2 325.526 0.825 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262764586 737304431 /nfs/dbraw/zinc/30/44/31/737304431.db2.gz FQFPJIUCXHXIBI-ZIAGYGMSSA-N 3 2 325.526 0.825 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001026981426 742247037 /nfs/dbraw/zinc/24/70/37/742247037.db2.gz OZVNUBYGMHHNSQ-JKSUJKDBSA-N 2 2 345.447 0.498 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3nncn3C)C2)CC1 ZINC001029001914 743153277 /nfs/dbraw/zinc/15/32/77/743153277.db2.gz GHCWIINYXMMHPG-HNNXBMFYSA-N 2 2 344.463 0.098 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3nncn3C)C2)CC1 ZINC001029001914 743153282 /nfs/dbraw/zinc/15/32/82/743153282.db2.gz GHCWIINYXMMHPG-HNNXBMFYSA-N 2 2 344.463 0.098 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001167901342 751922848 /nfs/dbraw/zinc/92/28/48/751922848.db2.gz SXAJSCJPEVOINF-AWEZNQCLSA-N 2 2 347.463 0.827 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccnn2C)C1 ZINC001027446494 744486029 /nfs/dbraw/zinc/48/60/29/744486029.db2.gz LNAWNMNAPYQULB-WMZOPIPTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccnn2C)C1 ZINC001027446494 744486030 /nfs/dbraw/zinc/48/60/30/744486030.db2.gz LNAWNMNAPYQULB-WMZOPIPTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccnn2C)C1 ZINC001027446494 744486033 /nfs/dbraw/zinc/48/60/33/744486033.db2.gz LNAWNMNAPYQULB-WMZOPIPTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccnn2C)C1 ZINC001027446494 744486035 /nfs/dbraw/zinc/48/60/35/744486035.db2.gz LNAWNMNAPYQULB-WMZOPIPTSA-N 2 2 343.475 0.941 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC000999686939 744840319 /nfs/dbraw/zinc/84/03/19/744840319.db2.gz BLYMFMQORVUAHC-XUJLQICISA-N 2 2 345.447 0.329 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC000999752175 744885907 /nfs/dbraw/zinc/88/59/07/744885907.db2.gz DDGAQEWZNNDACQ-YMAMQOFZSA-N 2 2 345.447 0.627 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2cnn(C)c2)CC1 ZINC001000790202 745767202 /nfs/dbraw/zinc/76/72/02/745767202.db2.gz GYTTVCVREOOCIV-SFHVURJKSA-N 2 2 341.459 0.766 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001000790202 745767209 /nfs/dbraw/zinc/76/72/09/745767209.db2.gz GYTTVCVREOOCIV-SFHVURJKSA-N 2 2 341.459 0.766 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](Cc2cnn(C)c2)CC1 ZINC001000790202 745767214 /nfs/dbraw/zinc/76/72/14/745767214.db2.gz GYTTVCVREOOCIV-SFHVURJKSA-N 2 2 341.459 0.766 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](Cc2cnn(C)c2)CC1 ZINC001000790202 745767218 /nfs/dbraw/zinc/76/72/18/745767218.db2.gz GYTTVCVREOOCIV-SFHVURJKSA-N 2 2 341.459 0.766 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005640 752042488 /nfs/dbraw/zinc/04/24/88/752042488.db2.gz ZEDLHSLLEOECMG-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005640 752042494 /nfs/dbraw/zinc/04/24/94/752042494.db2.gz ZEDLHSLLEOECMG-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005640 752042499 /nfs/dbraw/zinc/04/24/99/752042499.db2.gz ZEDLHSLLEOECMG-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005640 752042505 /nfs/dbraw/zinc/04/25/05/752042505.db2.gz ZEDLHSLLEOECMG-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001027595249 746029961 /nfs/dbraw/zinc/02/99/61/746029961.db2.gz WZEWPWZYPXKRKL-HZPDHXFCSA-N 2 2 345.447 0.662 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001027595249 746029967 /nfs/dbraw/zinc/02/99/67/746029967.db2.gz WZEWPWZYPXKRKL-HZPDHXFCSA-N 2 2 345.447 0.662 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088505340 750186996 /nfs/dbraw/zinc/18/69/96/750186996.db2.gz FHTBWYIAOAXSQP-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088505340 750187000 /nfs/dbraw/zinc/18/70/00/750187000.db2.gz FHTBWYIAOAXSQP-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001088505340 750187003 /nfs/dbraw/zinc/18/70/03/750187003.db2.gz FHTBWYIAOAXSQP-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001088505340 750187004 /nfs/dbraw/zinc/18/70/04/750187004.db2.gz FHTBWYIAOAXSQP-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@@H](C)C(=O)NC)C2 ZINC000981819229 751135474 /nfs/dbraw/zinc/13/54/74/751135474.db2.gz SOPFYVWRPAGXCX-HOTGVXAUSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)C(=O)NC)C2 ZINC000981819229 751135478 /nfs/dbraw/zinc/13/54/78/751135478.db2.gz SOPFYVWRPAGXCX-HOTGVXAUSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@@H](C)C(=O)NC)C2 ZINC000981819229 751135480 /nfs/dbraw/zinc/13/54/80/751135480.db2.gz SOPFYVWRPAGXCX-HOTGVXAUSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@@H](C)C(=O)NC)C2 ZINC000981819229 751135482 /nfs/dbraw/zinc/13/54/82/751135482.db2.gz SOPFYVWRPAGXCX-HOTGVXAUSA-N 2 2 346.475 0.143 20 30 ECEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261781233 753566614 /nfs/dbraw/zinc/56/66/14/753566614.db2.gz QBEQZVCSLHRVMW-INIZCTEOSA-N 3 2 334.468 0.421 20 30 ECEDLP C[NH+]=C(NCCn1ccnc1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261781233 753566620 /nfs/dbraw/zinc/56/66/20/753566620.db2.gz QBEQZVCSLHRVMW-INIZCTEOSA-N 2 2 334.468 0.421 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C[C@H]2C)CC1 ZINC000989829600 754483357 /nfs/dbraw/zinc/48/33/57/754483357.db2.gz UPPHJPHROMGNHW-HIFRSBDPSA-N 2 2 347.488 0.962 20 30 ECEDLP C=CCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477151 755605577 /nfs/dbraw/zinc/60/55/77/755605577.db2.gz CQZSJJSLGCORES-OAGGEKHMSA-N 2 2 333.436 0.527 20 30 ECEDLP C=CCC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477151 755605580 /nfs/dbraw/zinc/60/55/80/755605580.db2.gz CQZSJJSLGCORES-OAGGEKHMSA-N 2 2 333.436 0.527 20 30 ECEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477151 755605584 /nfs/dbraw/zinc/60/55/84/755605584.db2.gz CQZSJJSLGCORES-OAGGEKHMSA-N 2 2 333.436 0.527 20 30 ECEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477151 755605587 /nfs/dbraw/zinc/60/55/87/755605587.db2.gz CQZSJJSLGCORES-OAGGEKHMSA-N 2 2 333.436 0.527 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C3CC3)[NH+](C)C)nn2)C1 ZINC001107179726 757296650 /nfs/dbraw/zinc/29/66/50/757296650.db2.gz RSTKJIFIKBHYKN-MRXNPFEDSA-N 2 2 332.452 0.667 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C3(C[NH+](C)C)CC3)nn2)C1 ZINC001107199391 757585379 /nfs/dbraw/zinc/58/53/79/757585379.db2.gz IYIOVKXAUGMLJK-UHFFFAOYSA-N 2 2 330.436 0.116 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)C1=O ZINC000996457231 757733157 /nfs/dbraw/zinc/73/31/57/757733157.db2.gz OFZUXYZBYWUWRK-KGLIPLIRSA-N 2 2 345.447 0.566 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)C1=O ZINC000996457232 757733424 /nfs/dbraw/zinc/73/34/24/757733424.db2.gz OFZUXYZBYWUWRK-UONOGXRCSA-N 2 2 345.447 0.566 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001021926934 758070405 /nfs/dbraw/zinc/07/04/05/758070405.db2.gz YIDZLVGOFJSPHB-BBWFWOEESA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001021926934 758070416 /nfs/dbraw/zinc/07/04/16/758070416.db2.gz YIDZLVGOFJSPHB-BBWFWOEESA-N 2 2 346.406 0.765 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@H]1O ZINC001077158617 758374243 /nfs/dbraw/zinc/37/42/43/758374243.db2.gz OFRCXGSGLQTAGG-CEXWTWQISA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@H]1O ZINC001077158617 758374250 /nfs/dbraw/zinc/37/42/50/758374250.db2.gz OFRCXGSGLQTAGG-CEXWTWQISA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C)C[C@H]1O ZINC001077158617 758374261 /nfs/dbraw/zinc/37/42/61/758374261.db2.gz OFRCXGSGLQTAGG-CEXWTWQISA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C)C[C@H]1O ZINC001077158617 758374270 /nfs/dbraw/zinc/37/42/70/758374270.db2.gz OFRCXGSGLQTAGG-CEXWTWQISA-N 2 2 341.455 0.754 20 30 ECEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@H]2C1 ZINC001049226019 758380312 /nfs/dbraw/zinc/38/03/12/758380312.db2.gz CZGXSHOWWTTZDU-KSZLIROESA-N 2 2 331.460 0.511 20 30 ECEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@H]2C1 ZINC001049226019 758380322 /nfs/dbraw/zinc/38/03/22/758380322.db2.gz CZGXSHOWWTTZDU-KSZLIROESA-N 2 2 331.460 0.511 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ncccn2)C1 ZINC001022220936 758442583 /nfs/dbraw/zinc/44/25/83/758442583.db2.gz URMRYAKHYHHCFV-JONQDZQNSA-N 2 2 327.432 0.872 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ncccn2)C1 ZINC001022220936 758442584 /nfs/dbraw/zinc/44/25/84/758442584.db2.gz URMRYAKHYHHCFV-JONQDZQNSA-N 2 2 327.432 0.872 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584473 759098422 /nfs/dbraw/zinc/09/84/22/759098422.db2.gz XUAQTWIYRBUNIX-XYPHTWIQSA-N 2 2 332.448 0.951 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584473 759098427 /nfs/dbraw/zinc/09/84/27/759098427.db2.gz XUAQTWIYRBUNIX-XYPHTWIQSA-N 2 2 332.448 0.951 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001083584473 759098433 /nfs/dbraw/zinc/09/84/33/759098433.db2.gz XUAQTWIYRBUNIX-XYPHTWIQSA-N 2 2 332.448 0.951 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001083584473 759098443 /nfs/dbraw/zinc/09/84/43/759098443.db2.gz XUAQTWIYRBUNIX-XYPHTWIQSA-N 2 2 332.448 0.951 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3nccnc3C)C2)CC1 ZINC001032206597 759636466 /nfs/dbraw/zinc/63/64/66/759636466.db2.gz DXERPHRHQYJVNE-UHFFFAOYSA-N 2 2 341.459 0.678 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001106937018 763515299 /nfs/dbraw/zinc/51/52/99/763515299.db2.gz DBBHGHKAFHJAGN-HUUCEWRRSA-N 2 2 347.463 0.339 20 30 ECEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001047388105 764187076 /nfs/dbraw/zinc/18/70/76/764187076.db2.gz CXLOOXZHNIMGTK-ULQDDVLXSA-N 2 2 347.463 0.870 20 30 ECEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001047388105 764187080 /nfs/dbraw/zinc/18/70/80/764187080.db2.gz CXLOOXZHNIMGTK-ULQDDVLXSA-N 2 2 347.463 0.870 20 30 ECEDLP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001047388105 764187085 /nfs/dbraw/zinc/18/70/85/764187085.db2.gz CXLOOXZHNIMGTK-ULQDDVLXSA-N 2 2 347.463 0.870 20 30 ECEDLP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001047388105 764187090 /nfs/dbraw/zinc/18/70/90/764187090.db2.gz CXLOOXZHNIMGTK-ULQDDVLXSA-N 2 2 347.463 0.870 20 30 ECEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001047389400 764189812 /nfs/dbraw/zinc/18/98/12/764189812.db2.gz XKXZEHKPKZWPKH-HOTGVXAUSA-N 2 2 332.448 0.842 20 30 ECEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001047389400 764189816 /nfs/dbraw/zinc/18/98/16/764189816.db2.gz XKXZEHKPKZWPKH-HOTGVXAUSA-N 2 2 332.448 0.842 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001015498553 764805677 /nfs/dbraw/zinc/80/56/77/764805677.db2.gz LPBJKUHHWYBUFP-HOTGVXAUSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001015498553 764805686 /nfs/dbraw/zinc/80/56/86/764805686.db2.gz LPBJKUHHWYBUFP-HOTGVXAUSA-N 2 2 348.491 0.838 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)CC1 ZINC001016336805 766143458 /nfs/dbraw/zinc/14/34/58/766143458.db2.gz NIUYYYYOZFKECR-SFHVURJKSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)nc3)C2)CC1 ZINC001016336805 766143464 /nfs/dbraw/zinc/14/34/64/766143464.db2.gz NIUYYYYOZFKECR-SFHVURJKSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)CC1 ZINC001016336804 766143514 /nfs/dbraw/zinc/14/35/14/766143514.db2.gz NIUYYYYOZFKECR-GOSISDBHSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnc(C)nc3)C2)CC1 ZINC001016336804 766143521 /nfs/dbraw/zinc/14/35/21/766143521.db2.gz NIUYYYYOZFKECR-GOSISDBHSA-N 2 2 341.459 0.821 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)O2 ZINC001053598826 766404357 /nfs/dbraw/zinc/40/43/57/766404357.db2.gz FTYINFHNYXAANZ-HNNXBMFYSA-N 2 2 347.463 0.594 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)O2 ZINC001053699352 766617271 /nfs/dbraw/zinc/61/72/71/766617271.db2.gz DFXLEENMCDQQAP-CVEARBPZSA-N 2 2 337.464 0.633 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)O2 ZINC001053699352 766617274 /nfs/dbraw/zinc/61/72/74/766617274.db2.gz DFXLEENMCDQQAP-CVEARBPZSA-N 2 2 337.464 0.633 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)O2 ZINC001053700527 766619208 /nfs/dbraw/zinc/61/92/08/766619208.db2.gz WUQSYHONWGKNBD-JKSUJKDBSA-N 2 2 335.448 0.080 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700527 766619218 /nfs/dbraw/zinc/61/92/18/766619218.db2.gz WUQSYHONWGKNBD-JKSUJKDBSA-N 2 2 335.448 0.080 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC3(C[NH+](CC=C)C3)O2)CC1 ZINC001053700402 766620006 /nfs/dbraw/zinc/62/00/06/766620006.db2.gz UBNOWAQFBRTKBV-KRWDZBQOSA-N 2 2 331.460 0.867 20 30 ECEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046040172 766745049 /nfs/dbraw/zinc/74/50/49/766745049.db2.gz FWPREMLMEBDELK-WMZOPIPTSA-N 2 2 341.459 0.297 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046040172 766745054 /nfs/dbraw/zinc/74/50/54/766745054.db2.gz FWPREMLMEBDELK-WMZOPIPTSA-N 2 2 341.459 0.297 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046069666 766869236 /nfs/dbraw/zinc/86/92/36/766869236.db2.gz JRAPZQLCWWLIOM-AEFFLSMTSA-N 2 2 343.475 0.830 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046069666 766869247 /nfs/dbraw/zinc/86/92/47/766869247.db2.gz JRAPZQLCWWLIOM-AEFFLSMTSA-N 2 2 343.475 0.830 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046069666 766869259 /nfs/dbraw/zinc/86/92/59/766869259.db2.gz JRAPZQLCWWLIOM-AEFFLSMTSA-N 2 2 343.475 0.830 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046069666 766869269 /nfs/dbraw/zinc/86/92/69/766869269.db2.gz JRAPZQLCWWLIOM-AEFFLSMTSA-N 2 2 343.475 0.830 20 30 ECEDLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046070499 766873873 /nfs/dbraw/zinc/87/38/73/766873873.db2.gz OOMLIEOQEGDWIS-MSOLQXFVSA-N 2 2 347.507 0.991 20 30 ECEDLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046070499 766873880 /nfs/dbraw/zinc/87/38/80/766873880.db2.gz OOMLIEOQEGDWIS-MSOLQXFVSA-N 2 2 347.507 0.991 20 30 ECEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046086528 766928570 /nfs/dbraw/zinc/92/85/70/766928570.db2.gz WDLYNGHFWNVVMU-IRXDYDNUSA-N 2 2 333.480 0.603 20 30 ECEDLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046086528 766928571 /nfs/dbraw/zinc/92/85/71/766928571.db2.gz WDLYNGHFWNVVMU-IRXDYDNUSA-N 2 2 333.480 0.603 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219940 767087175 /nfs/dbraw/zinc/08/71/75/767087175.db2.gz QYGOJLKMTHRODG-MJGOQNOKSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219940 767087182 /nfs/dbraw/zinc/08/71/82/767087182.db2.gz QYGOJLKMTHRODG-MJGOQNOKSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219940 767087189 /nfs/dbraw/zinc/08/71/89/767087189.db2.gz QYGOJLKMTHRODG-MJGOQNOKSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219940 767087194 /nfs/dbraw/zinc/08/71/94/767087194.db2.gz QYGOJLKMTHRODG-MJGOQNOKSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046505971 767267690 /nfs/dbraw/zinc/26/76/90/767267690.db2.gz NOGKCFDQJZZPCC-RYRKJORJSA-N 2 2 337.464 0.633 20 30 ECEDLP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046505971 767267692 /nfs/dbraw/zinc/26/76/92/767267692.db2.gz NOGKCFDQJZZPCC-RYRKJORJSA-N 2 2 337.464 0.633 20 30 ECEDLP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001054058977 767655635 /nfs/dbraw/zinc/65/56/35/767655635.db2.gz CIDJEXSWEDBLBP-RBUKOAKNSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001054058977 767655640 /nfs/dbraw/zinc/65/56/40/767655640.db2.gz CIDJEXSWEDBLBP-RBUKOAKNSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001054058977 767655645 /nfs/dbraw/zinc/65/56/45/767655645.db2.gz CIDJEXSWEDBLBP-RBUKOAKNSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001054058977 767655650 /nfs/dbraw/zinc/65/56/50/767655650.db2.gz CIDJEXSWEDBLBP-RBUKOAKNSA-N 2 2 341.455 0.883 20 30 ECEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001018049331 768659773 /nfs/dbraw/zinc/65/97/73/768659773.db2.gz WZISOKYNZXGIHE-CALCHBBNSA-N 2 2 329.448 0.757 20 30 ECEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001018049331 768659776 /nfs/dbraw/zinc/65/97/76/768659776.db2.gz WZISOKYNZXGIHE-CALCHBBNSA-N 2 2 329.448 0.757 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106750212 768855521 /nfs/dbraw/zinc/85/55/21/768855521.db2.gz STLKLFWQHNEGAI-RBSFLKMASA-N 2 2 347.463 0.575 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106750212 768855534 /nfs/dbraw/zinc/85/55/34/768855534.db2.gz STLKLFWQHNEGAI-RBSFLKMASA-N 2 2 347.463 0.575 20 30 ECEDLP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001055538717 769052074 /nfs/dbraw/zinc/05/20/74/769052074.db2.gz LALKYYIRMMHPPD-UHFFFAOYSA-N 2 2 347.463 0.936 20 30 ECEDLP C=CCCC(=O)NC1CC[NH+](CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001055606543 769242627 /nfs/dbraw/zinc/24/26/27/769242627.db2.gz HLLVYNXSKPIFJN-UHFFFAOYSA-N 2 2 347.463 0.924 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001018986184 770485742 /nfs/dbraw/zinc/48/57/42/770485742.db2.gz UQAFNMOOCHPUSA-HOCLYGCPSA-N 2 2 330.436 0.086 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001018986184 770485746 /nfs/dbraw/zinc/48/57/46/770485746.db2.gz UQAFNMOOCHPUSA-HOCLYGCPSA-N 2 2 330.436 0.086 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)CC1 ZINC001019815500 771831032 /nfs/dbraw/zinc/83/10/32/771831032.db2.gz HGWSDPQYVKNUAP-CJNGLKHVSA-N 2 2 344.463 0.710 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC001020250514 772350939 /nfs/dbraw/zinc/35/09/39/772350939.db2.gz HAEGUFFIPYVYNC-IHRRRGAJSA-N 2 2 349.866 0.908 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncc(Cl)n2C)C1 ZINC001020250514 772350943 /nfs/dbraw/zinc/35/09/43/772350943.db2.gz HAEGUFFIPYVYNC-IHRRRGAJSA-N 2 2 349.866 0.908 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CCF)C1 ZINC001070412482 784003899 /nfs/dbraw/zinc/00/38/99/784003899.db2.gz AXKGWDWXCPYABT-ZBFHGGJFSA-N 2 2 347.438 0.882 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CCF)C1 ZINC001070412482 784003907 /nfs/dbraw/zinc/00/39/07/784003907.db2.gz AXKGWDWXCPYABT-ZBFHGGJFSA-N 2 2 347.438 0.882 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[NH+](CCF)C1 ZINC001070412482 784003914 /nfs/dbraw/zinc/00/39/14/784003914.db2.gz AXKGWDWXCPYABT-ZBFHGGJFSA-N 2 2 347.438 0.882 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[NH+](CCF)C1 ZINC001070412482 784003923 /nfs/dbraw/zinc/00/39/23/784003923.db2.gz AXKGWDWXCPYABT-ZBFHGGJFSA-N 2 2 347.438 0.882 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21 ZINC001074366102 786769633 /nfs/dbraw/zinc/76/96/33/786769633.db2.gz OVZUUQPASJUSGH-QZTJIDSGSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21 ZINC001074366102 786769639 /nfs/dbraw/zinc/76/96/39/786769639.db2.gz OVZUUQPASJUSGH-QZTJIDSGSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOC)[C@H]3C2)CC1 ZINC001074409608 786894155 /nfs/dbraw/zinc/89/41/55/786894155.db2.gz FEGLXXIMENSIRZ-ROUUACIJSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3OCC[N@H+](CCOC)[C@H]3C2)CC1 ZINC001074409608 786894163 /nfs/dbraw/zinc/89/41/63/786894163.db2.gz FEGLXXIMENSIRZ-ROUUACIJSA-N 2 2 349.475 0.280 20 30 ECEDLP C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660925 786904481 /nfs/dbraw/zinc/90/44/81/786904481.db2.gz RNHCNVVVNHIERN-RBSFLKMASA-N 2 2 345.871 0.665 20 30 ECEDLP C=C(Cl)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660925 786904470 /nfs/dbraw/zinc/90/44/70/786904470.db2.gz RNHCNVVVNHIERN-RBSFLKMASA-N 2 2 345.871 0.665 20 30 ECEDLP C=C(Cl)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660925 786904478 /nfs/dbraw/zinc/90/44/78/786904478.db2.gz RNHCNVVVNHIERN-RBSFLKMASA-N 2 2 345.871 0.665 20 30 ECEDLP C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660925 786904488 /nfs/dbraw/zinc/90/44/88/786904488.db2.gz RNHCNVVVNHIERN-RBSFLKMASA-N 2 2 345.871 0.665 20 30 ECEDLP C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001074581528 787317946 /nfs/dbraw/zinc/31/79/46/787317946.db2.gz BZDLLNBNHMUPST-WBAXXEDZSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001074581528 787317953 /nfs/dbraw/zinc/31/79/53/787317953.db2.gz BZDLLNBNHMUPST-WBAXXEDZSA-N 2 2 342.443 0.968 20 30 ECEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945333 790223050 /nfs/dbraw/zinc/22/30/50/790223050.db2.gz JNWYZERVIXUEOV-ZACQAIPSSA-N 2 2 344.463 0.231 20 30 ECEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945333 790223056 /nfs/dbraw/zinc/22/30/56/790223056.db2.gz JNWYZERVIXUEOV-ZACQAIPSSA-N 2 2 344.463 0.231 20 30 ECEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945333 790223062 /nfs/dbraw/zinc/22/30/62/790223062.db2.gz JNWYZERVIXUEOV-ZACQAIPSSA-N 2 2 344.463 0.231 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945333 790223065 /nfs/dbraw/zinc/22/30/65/790223065.db2.gz JNWYZERVIXUEOV-ZACQAIPSSA-N 2 2 344.463 0.231 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266321314 835694350 /nfs/dbraw/zinc/69/43/50/835694350.db2.gz OKAGGVPOIGQBOX-HNNXBMFYSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266321314 835694353 /nfs/dbraw/zinc/69/43/53/835694353.db2.gz OKAGGVPOIGQBOX-HNNXBMFYSA-N 2 2 336.480 0.744 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOCC(F)F)C1 ZINC001266324854 835701273 /nfs/dbraw/zinc/70/12/73/835701273.db2.gz FGYZDGFZZDRURH-KGLIPLIRSA-N 2 2 329.391 0.556 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOCC(F)F)C1 ZINC001266324854 835701278 /nfs/dbraw/zinc/70/12/78/835701278.db2.gz FGYZDGFZZDRURH-KGLIPLIRSA-N 2 2 329.391 0.556 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOCC(F)F)C1 ZINC001266324854 835701282 /nfs/dbraw/zinc/70/12/82/835701282.db2.gz FGYZDGFZZDRURH-KGLIPLIRSA-N 2 2 329.391 0.556 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOCC(F)F)C1 ZINC001266324854 835701287 /nfs/dbraw/zinc/70/12/87/835701287.db2.gz FGYZDGFZZDRURH-KGLIPLIRSA-N 2 2 329.391 0.556 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266330670 835711689 /nfs/dbraw/zinc/71/16/89/835711689.db2.gz HJMUMLHOEJKVGK-INIZCTEOSA-N 2 2 345.447 0.583 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266330670 835711692 /nfs/dbraw/zinc/71/16/92/835711692.db2.gz HJMUMLHOEJKVGK-INIZCTEOSA-N 2 2 345.447 0.583 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001266342029 835728011 /nfs/dbraw/zinc/72/80/11/835728011.db2.gz OHJLZWUDBQWSQN-SJORKVTESA-N 2 2 348.491 0.719 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001266342029 835728018 /nfs/dbraw/zinc/72/80/18/835728018.db2.gz OHJLZWUDBQWSQN-SJORKVTESA-N 2 2 348.491 0.719 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001266342029 835728026 /nfs/dbraw/zinc/72/80/26/835728026.db2.gz OHJLZWUDBQWSQN-SJORKVTESA-N 2 2 348.491 0.719 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001266342029 835728031 /nfs/dbraw/zinc/72/80/31/835728031.db2.gz OHJLZWUDBQWSQN-SJORKVTESA-N 2 2 348.491 0.719 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCCCC)C2)CC1 ZINC001266361893 835772983 /nfs/dbraw/zinc/77/29/83/835772983.db2.gz UMAYZYBZTQTRCH-KRWDZBQOSA-N 2 2 348.491 0.438 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NCCCC)C2)CC1 ZINC001266361893 835772988 /nfs/dbraw/zinc/77/29/88/835772988.db2.gz UMAYZYBZTQTRCH-KRWDZBQOSA-N 2 2 348.491 0.438 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266520299 835933049 /nfs/dbraw/zinc/93/30/49/835933049.db2.gz KDMAHYDDRQUOPP-ZDUSSCGKSA-N 2 2 349.435 0.090 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266520299 835933052 /nfs/dbraw/zinc/93/30/52/835933052.db2.gz KDMAHYDDRQUOPP-ZDUSSCGKSA-N 2 2 349.435 0.090 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)CC(=O)N1CCC1 ZINC001266562715 835992127 /nfs/dbraw/zinc/99/21/27/835992127.db2.gz LRDSCLZZUDIJTA-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)CC(=O)N1CCC1 ZINC001266562715 835992137 /nfs/dbraw/zinc/99/21/37/835992137.db2.gz LRDSCLZZUDIJTA-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC(=O)N1CCC1 ZINC001266562715 835992145 /nfs/dbraw/zinc/99/21/45/835992145.db2.gz LRDSCLZZUDIJTA-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC(=O)N1CCC1 ZINC001266562715 835992152 /nfs/dbraw/zinc/99/21/52/835992152.db2.gz LRDSCLZZUDIJTA-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266693174 836153866 /nfs/dbraw/zinc/15/38/66/836153866.db2.gz QRPOYXAGGGKOSR-XHSDSOJGSA-N 2 2 345.447 0.457 20 30 ECEDLP CC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001267237316 837043680 /nfs/dbraw/zinc/04/36/80/837043680.db2.gz HMGLIFAXVLFTOJ-GOSISDBHSA-N 2 2 347.434 0.946 20 30 ECEDLP CC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001267237316 837043692 /nfs/dbraw/zinc/04/36/92/837043692.db2.gz HMGLIFAXVLFTOJ-GOSISDBHSA-N 2 2 347.434 0.946 20 30 ECEDLP CC[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267237316 837043701 /nfs/dbraw/zinc/04/37/01/837043701.db2.gz HMGLIFAXVLFTOJ-GOSISDBHSA-N 2 2 347.434 0.946 20 30 ECEDLP CC[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267237316 837043705 /nfs/dbraw/zinc/04/37/05/837043705.db2.gz HMGLIFAXVLFTOJ-GOSISDBHSA-N 2 2 347.434 0.946 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267745138 838449979 /nfs/dbraw/zinc/44/99/79/838449979.db2.gz HLFSIFSWAAOFNR-HUUCEWRRSA-N 2 2 334.464 0.496 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267745138 838449982 /nfs/dbraw/zinc/44/99/82/838449982.db2.gz HLFSIFSWAAOFNR-HUUCEWRRSA-N 2 2 334.464 0.496 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)CC1 ZINC000245951876 285334547 /nfs/dbraw/zinc/33/45/47/285334547.db2.gz ZPYGPNZQSPOWLU-SJLPKXTDSA-N 2 2 335.496 0.753 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)CC1 ZINC000245951876 285334548 /nfs/dbraw/zinc/33/45/48/285334548.db2.gz ZPYGPNZQSPOWLU-SJLPKXTDSA-N 2 2 335.496 0.753 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@H]1CCc2nc(C)nn2C1 ZINC000262786706 275405820 /nfs/dbraw/zinc/40/58/20/275405820.db2.gz MQALFEBBTKTWRJ-ZDUSSCGKSA-N 2 2 337.497 0.115 20 30 ECEDLP C=CCCC[C@@H](C)[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000091508441 436452890 /nfs/dbraw/zinc/45/28/90/436452890.db2.gz NXLPMUGSYBOBGC-MRXNPFEDSA-N 2 2 344.525 0.841 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000107369177 436612182 /nfs/dbraw/zinc/61/21/82/436612182.db2.gz LVTNBBMNHFDFEC-AEFFLSMTSA-N 2 2 333.480 0.507 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000107369177 436612185 /nfs/dbraw/zinc/61/21/85/436612185.db2.gz LVTNBBMNHFDFEC-AEFFLSMTSA-N 2 2 333.480 0.507 20 30 ECEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264130281 437016880 /nfs/dbraw/zinc/01/68/80/437016880.db2.gz TZPDMIPWNZQXCB-UHFFFAOYSA-N 3 2 344.463 0.971 20 30 ECEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331439814 437096032 /nfs/dbraw/zinc/09/60/32/437096032.db2.gz XFMHHQLMXXNBQO-ZFWWWQNUSA-N 2 2 347.463 0.032 20 30 ECEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331439814 437096035 /nfs/dbraw/zinc/09/60/35/437096035.db2.gz XFMHHQLMXXNBQO-ZFWWWQNUSA-N 2 2 347.463 0.032 20 30 ECEDLP COC[C@@H](C)NC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304807903 437160499 /nfs/dbraw/zinc/16/04/99/437160499.db2.gz UCZRCVCZDFSLMB-OAHLLOKOSA-N 3 2 325.501 0.876 20 30 ECEDLP Cn1ccnc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1=O ZINC000328598272 437236701 /nfs/dbraw/zinc/23/67/01/437236701.db2.gz BAMMOFCCFAGPAM-UHFFFAOYSA-N 2 2 348.451 0.665 20 30 ECEDLP Cn1nnc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000289466879 437414030 /nfs/dbraw/zinc/41/40/30/437414030.db2.gz WOQPHSMJVIUTLB-UHFFFAOYSA-N 2 2 345.407 0.004 20 30 ECEDLP CC(C)(CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)[NH+]1CCOCC1 ZINC000329607273 437391888 /nfs/dbraw/zinc/39/18/88/437391888.db2.gz BJRVUGZWVXIUAV-ZNMIVQPWSA-N 2 2 325.453 0.756 20 30 ECEDLP CC(C)(CNC(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)[NH+]1CCOCC1 ZINC000329607273 437391889 /nfs/dbraw/zinc/39/18/89/437391889.db2.gz BJRVUGZWVXIUAV-ZNMIVQPWSA-N 2 2 325.453 0.756 20 30 ECEDLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000331376456 437747599 /nfs/dbraw/zinc/74/75/99/437747599.db2.gz GZCSJJAVMBUELR-KBPBESRZSA-N 2 2 347.463 0.174 20 30 ECEDLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000331376456 437747603 /nfs/dbraw/zinc/74/76/03/437747603.db2.gz GZCSJJAVMBUELR-KBPBESRZSA-N 2 2 347.463 0.174 20 30 ECEDLP CNC(=O)[C@@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1C(=O)NC ZINC000341875422 437917231 /nfs/dbraw/zinc/91/72/31/437917231.db2.gz WCDMYNUNKCYNFU-HOTGVXAUSA-N 2 2 334.464 0.191 20 30 ECEDLP CNC(=O)[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1C(=O)NC ZINC000341875422 437917234 /nfs/dbraw/zinc/91/72/34/437917234.db2.gz WCDMYNUNKCYNFU-HOTGVXAUSA-N 2 2 334.464 0.191 20 30 ECEDLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424161924 437896506 /nfs/dbraw/zinc/89/65/06/437896506.db2.gz ZAQJRBAUJOVLLF-LSDHHAIUSA-N 2 2 335.452 0.163 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372839659 438114840 /nfs/dbraw/zinc/11/48/40/438114840.db2.gz QBTDBBSUJXAUGR-QZTJIDSGSA-N 2 2 349.523 0.954 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372839659 438114844 /nfs/dbraw/zinc/11/48/44/438114844.db2.gz QBTDBBSUJXAUGR-QZTJIDSGSA-N 2 2 349.523 0.954 20 30 ECEDLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000367117183 438166801 /nfs/dbraw/zinc/16/68/01/438166801.db2.gz LZXAYMVJUVSYKV-QFBILLFUSA-N 2 2 347.507 0.754 20 30 ECEDLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000367117183 438166804 /nfs/dbraw/zinc/16/68/04/438166804.db2.gz LZXAYMVJUVSYKV-QFBILLFUSA-N 2 2 347.507 0.754 20 30 ECEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000377936079 438333805 /nfs/dbraw/zinc/33/38/05/438333805.db2.gz HALDWNHFGYBGAS-HNNXBMFYSA-N 2 2 331.420 0.835 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595869158 438875344 /nfs/dbraw/zinc/87/53/44/438875344.db2.gz VQQPRUMFBDLZGF-ZWKOTPCHSA-N 2 2 345.443 0.829 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595869158 438875346 /nfs/dbraw/zinc/87/53/46/438875346.db2.gz VQQPRUMFBDLZGF-ZWKOTPCHSA-N 2 2 345.443 0.829 20 30 ECEDLP C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989441 439179079 /nfs/dbraw/zinc/17/90/79/439179079.db2.gz PBHUKFIGWBCACM-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989441 439179084 /nfs/dbraw/zinc/17/90/84/439179084.db2.gz PBHUKFIGWBCACM-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(O)(c3ccccc3)CC2)CC1 ZINC000490974114 439319275 /nfs/dbraw/zinc/31/92/75/439319275.db2.gz NPBDOLRCZWTZTL-UHFFFAOYSA-N 2 2 341.455 0.747 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)CC1 ZINC000490761946 439295124 /nfs/dbraw/zinc/29/51/24/439295124.db2.gz CZMJZZUSGXJFKR-UHFFFAOYSA-N 2 2 343.431 0.167 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(CO)CCOc3ccccc32)CC1 ZINC000491671489 439424598 /nfs/dbraw/zinc/42/45/98/439424598.db2.gz FUHCUESJMCBLAU-LJQANCHMSA-N 2 2 343.427 0.024 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(OC)(C(F)(F)F)CC2)CC1 ZINC000491699643 439430717 /nfs/dbraw/zinc/43/07/17/439430717.db2.gz UUGFJAIOMBKLOY-UHFFFAOYSA-N 2 2 347.381 0.807 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000491714131 439433533 /nfs/dbraw/zinc/43/35/33/439433533.db2.gz FMNYKUHDBJLNJJ-WMZOPIPTSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000491714131 439433538 /nfs/dbraw/zinc/43/35/38/439433538.db2.gz FMNYKUHDBJLNJJ-WMZOPIPTSA-N 2 2 331.460 0.797 20 30 ECEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594524021 439570653 /nfs/dbraw/zinc/57/06/53/439570653.db2.gz HGRNSPBHCQXXQQ-LLVKDONJSA-N 2 2 337.346 0.133 20 30 ECEDLP CC(C)[C@@H](C#N)N1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000609484440 439572297 /nfs/dbraw/zinc/57/22/97/439572297.db2.gz ABQNERPHMXDERA-GOSISDBHSA-N 2 2 347.507 0.895 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000595124112 439657318 /nfs/dbraw/zinc/65/73/18/439657318.db2.gz DZZZTTMJVNIUJA-UHFFFAOYSA-N 2 2 345.447 0.691 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CC#N)c1 ZINC000595124112 439657323 /nfs/dbraw/zinc/65/73/23/439657323.db2.gz DZZZTTMJVNIUJA-UHFFFAOYSA-N 2 2 345.447 0.691 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000600759943 439701152 /nfs/dbraw/zinc/70/11/52/439701152.db2.gz SUEIDDQZRGLODQ-CVEARBPZSA-N 2 2 346.431 0.227 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000600759943 439701156 /nfs/dbraw/zinc/70/11/56/439701156.db2.gz SUEIDDQZRGLODQ-CVEARBPZSA-N 2 2 346.431 0.227 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000600720339 439695588 /nfs/dbraw/zinc/69/55/88/439695588.db2.gz YJDDNGBJUUFAMO-MRXNPFEDSA-N 2 2 344.463 0.633 20 30 ECEDLP C[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C[NH+]1CCOCC1 ZINC000600723811 439696023 /nfs/dbraw/zinc/69/60/23/439696023.db2.gz MEFSZDQYHADVGK-JKSUJKDBSA-N 2 2 325.453 0.616 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600728622 439696044 /nfs/dbraw/zinc/69/60/44/439696044.db2.gz VWDSEOGLUDRVLW-DCAQKATOSA-N 2 2 336.358 0.846 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600728622 439696048 /nfs/dbraw/zinc/69/60/48/439696048.db2.gz VWDSEOGLUDRVLW-DCAQKATOSA-N 2 2 336.358 0.846 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000600742689 439697282 /nfs/dbraw/zinc/69/72/82/439697282.db2.gz KEENLKGANFNJEM-SJORKVTESA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000600742689 439697285 /nfs/dbraw/zinc/69/72/85/439697285.db2.gz KEENLKGANFNJEM-SJORKVTESA-N 2 2 333.432 0.734 20 30 ECEDLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000127499300 320509787 /nfs/dbraw/zinc/50/97/87/320509787.db2.gz AYTZWVRUXTXZIF-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP C[NH+](CC#CC[N@@H+](C)CC(=O)N1CCCC1)CC(=O)N1CCCC1 ZINC000671239812 548112355 /nfs/dbraw/zinc/11/23/55/548112355.db2.gz ZUYJVTIRUIBPOY-UHFFFAOYSA-N 2 2 334.464 0.098 20 30 ECEDLP C[NH+](CC#CC[N@H+](C)CC(=O)N1CCCC1)CC(=O)N1CCCC1 ZINC000671239812 548112360 /nfs/dbraw/zinc/11/23/60/548112360.db2.gz ZUYJVTIRUIBPOY-UHFFFAOYSA-N 2 2 334.464 0.098 20 30 ECEDLP C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672638911 548365510 /nfs/dbraw/zinc/36/55/10/548365510.db2.gz VVXCXQMOVULWDX-HNNXBMFYSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672638911 548365512 /nfs/dbraw/zinc/36/55/12/548365512.db2.gz VVXCXQMOVULWDX-HNNXBMFYSA-N 2 2 336.480 0.696 20 30 ECEDLP C#CCNC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000727931139 578286306 /nfs/dbraw/zinc/28/63/06/578286306.db2.gz JAYKEHLAUCSRGO-LJQANCHMSA-N 2 2 343.471 0.941 20 30 ECEDLP C#CCNC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000727931139 578286307 /nfs/dbraw/zinc/28/63/07/578286307.db2.gz JAYKEHLAUCSRGO-LJQANCHMSA-N 2 2 343.471 0.941 20 30 ECEDLP C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000773311792 579224538 /nfs/dbraw/zinc/22/45/38/579224538.db2.gz OFNVVOUSWGEQGZ-PVAVHDDUSA-N 2 2 334.464 0.635 20 30 ECEDLP C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000773311792 579224539 /nfs/dbraw/zinc/22/45/39/579224539.db2.gz OFNVVOUSWGEQGZ-PVAVHDDUSA-N 2 2 334.464 0.635 20 30 ECEDLP C#CCNC(=O)CONC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000779648121 579319073 /nfs/dbraw/zinc/31/90/73/579319073.db2.gz LAAWRELJHROMLB-HNNXBMFYSA-N 2 2 330.388 0.135 20 30 ECEDLP C#CCNC(=O)CONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000779648121 579319074 /nfs/dbraw/zinc/31/90/74/579319074.db2.gz LAAWRELJHROMLB-HNNXBMFYSA-N 2 2 330.388 0.135 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000746217746 579833281 /nfs/dbraw/zinc/83/32/81/579833281.db2.gz BSXFBUBQMDWBTQ-MOPGFXCFSA-N 2 2 341.455 0.619 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000746217746 579833282 /nfs/dbraw/zinc/83/32/82/579833282.db2.gz BSXFBUBQMDWBTQ-MOPGFXCFSA-N 2 2 341.455 0.619 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000746217746 579833283 /nfs/dbraw/zinc/83/32/83/579833283.db2.gz BSXFBUBQMDWBTQ-MOPGFXCFSA-N 2 2 341.455 0.619 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000746217746 579833284 /nfs/dbraw/zinc/83/32/84/579833284.db2.gz BSXFBUBQMDWBTQ-MOPGFXCFSA-N 2 2 341.455 0.619 20 30 ECEDLP O=C1[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCCN1O ZINC000895157211 586167192 /nfs/dbraw/zinc/16/71/92/586167192.db2.gz NCHOLSJXFQDLNY-KRWDZBQOSA-N 2 2 349.431 0.867 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCOCCOC)CC2)CC1 ZINC000846616961 589214231 /nfs/dbraw/zinc/21/42/31/589214231.db2.gz JMYFMPHUEJUNCD-UHFFFAOYSA-N 2 2 337.464 0.139 20 30 ECEDLP O=C(C#CC1CC[NH2+]CC1)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000852858089 589518757 /nfs/dbraw/zinc/51/87/57/589518757.db2.gz PNCRDMIUCJZLPB-UHFFFAOYSA-N 2 2 346.475 0.146 20 30 ECEDLP O=C(C#CC1CC[NH2+]CC1)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000852858089 589518758 /nfs/dbraw/zinc/51/87/58/589518758.db2.gz PNCRDMIUCJZLPB-UHFFFAOYSA-N 2 2 346.475 0.146 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)CC1 ZINC000859586125 589852353 /nfs/dbraw/zinc/85/23/53/589852353.db2.gz HEWOJJMIKPFBOE-FQEVSTJZSA-N 2 2 341.455 0.747 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)CC1 ZINC000859586125 589852355 /nfs/dbraw/zinc/85/23/55/589852355.db2.gz HEWOJJMIKPFBOE-FQEVSTJZSA-N 2 2 341.455 0.747 20 30 ECEDLP C#CC[C@H](COC)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875925368 590347009 /nfs/dbraw/zinc/34/70/09/590347009.db2.gz QFUDUYOOKYHECV-NVXWUHKLSA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[C@H](COC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875925368 590347012 /nfs/dbraw/zinc/34/70/12/590347012.db2.gz QFUDUYOOKYHECV-NVXWUHKLSA-N 2 2 336.480 0.835 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000876758100 590410651 /nfs/dbraw/zinc/41/06/51/590410651.db2.gz IBUSOOAMASGZIO-GFCCVEGCSA-N 2 2 327.816 0.624 20 30 ECEDLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877433804 590465476 /nfs/dbraw/zinc/46/54/76/590465476.db2.gz JORGKHNCARJYTD-AEFFLSMTSA-N 2 2 342.443 0.972 20 30 ECEDLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877433804 590465479 /nfs/dbraw/zinc/46/54/79/590465479.db2.gz JORGKHNCARJYTD-AEFFLSMTSA-N 2 2 342.443 0.972 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000884189908 590768114 /nfs/dbraw/zinc/76/81/14/590768114.db2.gz PJFFKOUGPHQRTE-KFWWJZLASA-N 2 2 325.453 0.917 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000884277288 590794257 /nfs/dbraw/zinc/79/42/57/590794257.db2.gz LNVFJKDZJIRYGU-LSDHHAIUSA-N 2 2 347.415 0.615 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000884328619 590806501 /nfs/dbraw/zinc/80/65/01/590806501.db2.gz UQGJTGQKAGWVJV-BPUTZDHNSA-N 2 2 335.448 0.908 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000884328619 590806507 /nfs/dbraw/zinc/80/65/07/590806507.db2.gz UQGJTGQKAGWVJV-BPUTZDHNSA-N 2 2 335.448 0.908 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000890365283 591151805 /nfs/dbraw/zinc/15/18/05/591151805.db2.gz RVFKOTVSTINJPV-INIZCTEOSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000890365283 591151807 /nfs/dbraw/zinc/15/18/07/591151807.db2.gz RVFKOTVSTINJPV-INIZCTEOSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000890365283 591151809 /nfs/dbraw/zinc/15/18/09/591151809.db2.gz RVFKOTVSTINJPV-INIZCTEOSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000890365283 591151811 /nfs/dbraw/zinc/15/18/11/591151811.db2.gz RVFKOTVSTINJPV-INIZCTEOSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CCN(C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000917006857 609957359 /nfs/dbraw/zinc/95/73/59/609957359.db2.gz HTDZASDHLBTCDT-CVEARBPZSA-N 2 2 336.480 0.835 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456018 610318575 /nfs/dbraw/zinc/31/85/75/610318575.db2.gz KJGMHIIUUOKPEP-IEBWSBKVSA-N 2 2 344.503 0.855 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456018 610318577 /nfs/dbraw/zinc/31/85/77/610318577.db2.gz KJGMHIIUUOKPEP-IEBWSBKVSA-N 2 2 344.503 0.855 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC000941465265 610333890 /nfs/dbraw/zinc/33/38/90/610333890.db2.gz ODEBVLATCATCBC-INIZCTEOSA-N 2 2 341.459 0.297 20 30 ECEDLP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923334423 611230522 /nfs/dbraw/zinc/23/05/22/611230522.db2.gz XDVOFTXURHWKOV-IAGOWNOFSA-N 2 2 328.416 0.488 20 30 ECEDLP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923334423 611230524 /nfs/dbraw/zinc/23/05/24/611230524.db2.gz XDVOFTXURHWKOV-IAGOWNOFSA-N 2 2 328.416 0.488 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)CCO2 ZINC000949125876 611863319 /nfs/dbraw/zinc/86/33/19/611863319.db2.gz BDKFVTCGGLLVOA-MRXNPFEDSA-N 2 2 342.443 0.772 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001024987769 738462593 /nfs/dbraw/zinc/46/25/93/738462593.db2.gz TUVZAJCZXYFXPZ-HOTGVXAUSA-N 2 2 345.447 0.946 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001024987769 738462596 /nfs/dbraw/zinc/46/25/96/738462596.db2.gz TUVZAJCZXYFXPZ-HOTGVXAUSA-N 2 2 345.447 0.946 20 30 ECEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H]2C1 ZINC001083198331 733094124 /nfs/dbraw/zinc/09/41/24/733094124.db2.gz OGZPLDJIWUHJHT-TXCZRRACSA-N 2 2 328.416 0.459 20 30 ECEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@H]2C1 ZINC001083198331 733094131 /nfs/dbraw/zinc/09/41/31/733094131.db2.gz OGZPLDJIWUHJHT-TXCZRRACSA-N 2 2 328.416 0.459 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380114 736047999 /nfs/dbraw/zinc/04/79/99/736047999.db2.gz DVPCBQVALFAGCW-MJGOQNOKSA-N 2 2 331.460 0.655 20 30 ECEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380114 736048006 /nfs/dbraw/zinc/04/80/06/736048006.db2.gz DVPCBQVALFAGCW-MJGOQNOKSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@H]2C1 ZINC001083281890 739544994 /nfs/dbraw/zinc/54/49/94/739544994.db2.gz GOGYRYSENPLDQZ-ZWKOTPCHSA-N 2 2 327.428 0.907 20 30 ECEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@H]2C1 ZINC001083281890 739544998 /nfs/dbraw/zinc/54/49/98/739544998.db2.gz GOGYRYSENPLDQZ-ZWKOTPCHSA-N 2 2 327.428 0.907 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCN1CCCC1=O ZINC001038369693 741337655 /nfs/dbraw/zinc/33/76/55/741337655.db2.gz WWOAGTJZTUPLAN-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCN1CCCC1=O ZINC001038369693 741337659 /nfs/dbraw/zinc/33/76/59/741337659.db2.gz WWOAGTJZTUPLAN-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCN1CCCC1=O ZINC001038369693 741337662 /nfs/dbraw/zinc/33/76/62/741337662.db2.gz WWOAGTJZTUPLAN-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCN1CCCC1=O ZINC001038369693 741337666 /nfs/dbraw/zinc/33/76/66/741337666.db2.gz WWOAGTJZTUPLAN-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105327159 741812508 /nfs/dbraw/zinc/81/25/08/741812508.db2.gz UMOOTCXNFVPMKL-AWEZNQCLSA-N 2 2 330.436 0.259 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001105327159 741812514 /nfs/dbraw/zinc/81/25/14/741812514.db2.gz UMOOTCXNFVPMKL-AWEZNQCLSA-N 2 2 330.436 0.259 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001026981424 742246967 /nfs/dbraw/zinc/24/69/67/742246967.db2.gz OZVNUBYGMHHNSQ-HOTGVXAUSA-N 2 2 345.447 0.498 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC000998297569 744105336 /nfs/dbraw/zinc/10/53/36/744105336.db2.gz LUOJPEJMWKGLGX-INIZCTEOSA-N 2 2 345.447 0.498 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nncs2)C1 ZINC000999391650 744671781 /nfs/dbraw/zinc/67/17/81/744671781.db2.gz MWXCFLAIOHCUDA-KBPBESRZSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nncs2)C1 ZINC000999391650 744671785 /nfs/dbraw/zinc/67/17/85/744671785.db2.gz MWXCFLAIOHCUDA-KBPBESRZSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999393858 744672739 /nfs/dbraw/zinc/67/27/39/744672739.db2.gz ZAIQJCCNCDOMQR-AEFFLSMTSA-N 2 2 343.475 0.907 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999393858 744672741 /nfs/dbraw/zinc/67/27/41/744672741.db2.gz ZAIQJCCNCDOMQR-AEFFLSMTSA-N 2 2 343.475 0.907 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361016 752064842 /nfs/dbraw/zinc/06/48/42/752064842.db2.gz NIZJPBGOXJDMGH-AWEZNQCLSA-N 2 2 330.436 0.116 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361016 752064844 /nfs/dbraw/zinc/06/48/44/752064844.db2.gz NIZJPBGOXJDMGH-AWEZNQCLSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)[C@@H]2C1 ZINC001075820373 746383890 /nfs/dbraw/zinc/38/38/90/746383890.db2.gz YDKAFRDYTIYAKU-RRQGHBQHSA-N 2 2 327.432 0.956 20 30 ECEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)[C@@H]2C1 ZINC001075820373 746383894 /nfs/dbraw/zinc/38/38/94/746383894.db2.gz YDKAFRDYTIYAKU-RRQGHBQHSA-N 2 2 327.432 0.956 20 30 ECEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)[C@@H]2C1 ZINC001075820373 746383899 /nfs/dbraw/zinc/38/38/99/746383899.db2.gz YDKAFRDYTIYAKU-RRQGHBQHSA-N 2 2 327.432 0.956 20 30 ECEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)[C@@H]2C1 ZINC001075820373 746383908 /nfs/dbraw/zinc/38/39/08/746383908.db2.gz YDKAFRDYTIYAKU-RRQGHBQHSA-N 2 2 327.432 0.956 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001002521227 747464679 /nfs/dbraw/zinc/46/46/79/747464679.db2.gz AKZQYCSBRHHEIH-SFHVURJKSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001002521227 747464683 /nfs/dbraw/zinc/46/46/83/747464683.db2.gz AKZQYCSBRHHEIH-SFHVURJKSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001002524337 747469745 /nfs/dbraw/zinc/46/97/45/747469745.db2.gz SVHFQVBOQDEJJM-GOSISDBHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001002524337 747469747 /nfs/dbraw/zinc/46/97/47/747469747.db2.gz SVHFQVBOQDEJJM-GOSISDBHSA-N 2 2 342.443 0.969 20 30 ECEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213213637 752210255 /nfs/dbraw/zinc/21/02/55/752210255.db2.gz OYUUGYOJSFQAKJ-KZNAEPCWSA-N 2 2 349.475 0.326 20 30 ECEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213213637 752210260 /nfs/dbraw/zinc/21/02/60/752210260.db2.gz OYUUGYOJSFQAKJ-KZNAEPCWSA-N 2 2 349.475 0.326 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nc(C)no2)C1 ZINC001029757879 748269648 /nfs/dbraw/zinc/26/96/48/748269648.db2.gz KGUGJNLZWGDJME-CVEARBPZSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2nc(C)no2)C1 ZINC001029757879 748269651 /nfs/dbraw/zinc/26/96/51/748269651.db2.gz KGUGJNLZWGDJME-CVEARBPZSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2nc(C)no2)C1 ZINC001029757879 748269654 /nfs/dbraw/zinc/26/96/54/748269654.db2.gz KGUGJNLZWGDJME-CVEARBPZSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2nc(C)no2)C1 ZINC001029757879 748269656 /nfs/dbraw/zinc/26/96/56/748269656.db2.gz KGUGJNLZWGDJME-CVEARBPZSA-N 2 2 345.447 0.756 20 30 ECEDLP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981663279 750943722 /nfs/dbraw/zinc/94/37/22/750943722.db2.gz LTBZNZQJBVUHDE-SJORKVTESA-N 2 2 337.464 0.587 20 30 ECEDLP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000981663279 750943726 /nfs/dbraw/zinc/94/37/26/750943726.db2.gz LTBZNZQJBVUHDE-SJORKVTESA-N 2 2 337.464 0.587 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)[nH]3)[C@@H]2C)CC1 ZINC000987567676 750969919 /nfs/dbraw/zinc/96/99/19/750969919.db2.gz GBSPYKLZKVOYGC-BBRMVZONSA-N 2 2 344.463 0.537 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)o3)[C@@H]2C)CC1 ZINC000987577364 750979019 /nfs/dbraw/zinc/97/90/19/750979019.db2.gz UINUEWBWFKSQLJ-XJKSGUPXSA-N 2 2 345.447 0.802 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098682992 753692539 /nfs/dbraw/zinc/69/25/39/753692539.db2.gz MNIVXYHERIHQTI-IAGOWNOFSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098682992 753692544 /nfs/dbraw/zinc/69/25/44/753692544.db2.gz MNIVXYHERIHQTI-IAGOWNOFSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001098685303 753764874 /nfs/dbraw/zinc/76/48/74/753764874.db2.gz FCXZCVNQNKGVAN-HOTGVXAUSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685303 753764876 /nfs/dbraw/zinc/76/48/76/753764876.db2.gz FCXZCVNQNKGVAN-HOTGVXAUSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+]([C@H](C)C(=O)NC)CC2)CC1 ZINC000989734918 754366603 /nfs/dbraw/zinc/36/66/03/754366603.db2.gz KIUPYBVZKVBODA-OAHLLOKOSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+]([C@H](C)C(=O)NC)CC2)CC1 ZINC000989734918 754366609 /nfs/dbraw/zinc/36/66/09/754366609.db2.gz KIUPYBVZKVBODA-OAHLLOKOSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)nn1 ZINC001105377142 754472691 /nfs/dbraw/zinc/47/26/91/754472691.db2.gz RNUAYANQOQDGLI-KBPBESRZSA-N 2 2 330.436 0.257 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nonc3C)C[C@@H]2C)CC1 ZINC000989828714 754498679 /nfs/dbraw/zinc/49/86/79/754498679.db2.gz HXGDOGBVAUARDH-XJKSGUPXSA-N 2 2 345.447 0.802 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001076294943 756339844 /nfs/dbraw/zinc/33/98/44/756339844.db2.gz AYJDOGNBXSQJQR-CWRNSKLLSA-N 2 2 343.431 0.272 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001076294943 756339847 /nfs/dbraw/zinc/33/98/47/756339847.db2.gz AYJDOGNBXSQJQR-CWRNSKLLSA-N 2 2 343.431 0.272 20 30 ECEDLP C=CCCC[NH+]1CC(n2cc(CNC(=O)Cc3c[nH+]cn3C)nn2)C1 ZINC001107229067 757990636 /nfs/dbraw/zinc/99/06/36/757990636.db2.gz ASYNCCAFXJRRPA-UHFFFAOYSA-N 2 2 343.435 0.693 20 30 ECEDLP C=CC[NH+]1CC(n2cc(CNC(=O)CC[NH+]3CCCCC3)nn2)C1 ZINC001107238873 758034221 /nfs/dbraw/zinc/03/42/21/758034221.db2.gz USOFOIVTUPFYTO-UHFFFAOYSA-N 2 2 332.452 0.813 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2coc(C)n2)C1 ZINC001051660066 762616918 /nfs/dbraw/zinc/61/69/18/762616918.db2.gz KEDLRUPUJLLUIC-IRXDYDNUSA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2coc(C)n2)C1 ZINC001051660066 762616922 /nfs/dbraw/zinc/61/69/22/762616922.db2.gz KEDLRUPUJLLUIC-IRXDYDNUSA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(CCC)no2)C1 ZINC001022220470 758439446 /nfs/dbraw/zinc/43/94/46/758439446.db2.gz FURKTUQWBSIWFE-ZNMIVQPWSA-N 2 2 345.447 0.857 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(CCC)no2)C1 ZINC001022220470 758439453 /nfs/dbraw/zinc/43/94/53/758439453.db2.gz FURKTUQWBSIWFE-ZNMIVQPWSA-N 2 2 345.447 0.857 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584472 759098127 /nfs/dbraw/zinc/09/81/27/759098127.db2.gz XUAQTWIYRBUNIX-XKQJLSEDSA-N 2 2 332.448 0.951 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584472 759098135 /nfs/dbraw/zinc/09/81/35/759098135.db2.gz XUAQTWIYRBUNIX-XKQJLSEDSA-N 2 2 332.448 0.951 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001083584472 759098142 /nfs/dbraw/zinc/09/81/42/759098142.db2.gz XUAQTWIYRBUNIX-XKQJLSEDSA-N 2 2 332.448 0.951 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001083584472 759098150 /nfs/dbraw/zinc/09/81/50/759098150.db2.gz XUAQTWIYRBUNIX-XKQJLSEDSA-N 2 2 332.448 0.951 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001032202343 759586137 /nfs/dbraw/zinc/58/61/37/759586137.db2.gz QUHVAWMUBITGBJ-GOSISDBHSA-N 2 2 342.443 0.827 20 30 ECEDLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001032202343 759586140 /nfs/dbraw/zinc/58/61/40/759586140.db2.gz QUHVAWMUBITGBJ-GOSISDBHSA-N 2 2 342.443 0.827 20 30 ECEDLP C=CCOCC[NH+]1CC(OC2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001105724083 761332939 /nfs/dbraw/zinc/33/29/39/761332939.db2.gz MQGJULDXXGPPES-UHFFFAOYSA-N 2 2 339.480 0.833 20 30 ECEDLP C=CC[NH+]1CC(OC2CCN(C(=O)COCC[NH+](C)C)CC2)C1 ZINC001105731073 761379433 /nfs/dbraw/zinc/37/94/33/761379433.db2.gz LSZCDMVVMBONMS-UHFFFAOYSA-N 2 2 325.453 0.442 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2cnn(CC)c2)C1 ZINC001014777247 763136194 /nfs/dbraw/zinc/13/61/94/763136194.db2.gz VVYDJRWHWJNUBS-MSOLQXFVSA-N 2 2 343.475 0.734 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001014777247 763136201 /nfs/dbraw/zinc/13/62/01/763136201.db2.gz VVYDJRWHWJNUBS-MSOLQXFVSA-N 2 2 343.475 0.734 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001014777247 763136205 /nfs/dbraw/zinc/13/62/05/763136205.db2.gz VVYDJRWHWJNUBS-MSOLQXFVSA-N 2 2 343.475 0.734 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001014777247 763136213 /nfs/dbraw/zinc/13/62/13/763136213.db2.gz VVYDJRWHWJNUBS-MSOLQXFVSA-N 2 2 343.475 0.734 20 30 ECEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)s1 ZINC001051885097 763214118 /nfs/dbraw/zinc/21/41/18/763214118.db2.gz XGOCNXXBYVOLIA-GFCCVEGCSA-N 2 2 345.428 0.903 20 30 ECEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001014923954 763463243 /nfs/dbraw/zinc/46/32/43/763463243.db2.gz KVKLEHUXIFUJRA-BHIYHBOVSA-N 2 2 341.455 0.948 20 30 ECEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001014923954 763463246 /nfs/dbraw/zinc/46/32/46/763463246.db2.gz KVKLEHUXIFUJRA-BHIYHBOVSA-N 2 2 341.455 0.948 20 30 ECEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001014923954 763463250 /nfs/dbraw/zinc/46/32/50/763463250.db2.gz KVKLEHUXIFUJRA-BHIYHBOVSA-N 2 2 341.455 0.948 20 30 ECEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001014923954 763463252 /nfs/dbraw/zinc/46/32/52/763463252.db2.gz KVKLEHUXIFUJRA-BHIYHBOVSA-N 2 2 341.455 0.948 20 30 ECEDLP CC1(C)CC[N@H+](CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052084671 763809837 /nfs/dbraw/zinc/80/98/37/763809837.db2.gz WKKOGTUHSSIFRE-MRXNPFEDSA-N 2 2 333.480 0.460 20 30 ECEDLP CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052084671 763809845 /nfs/dbraw/zinc/80/98/45/763809845.db2.gz WKKOGTUHSSIFRE-MRXNPFEDSA-N 2 2 333.480 0.460 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001052119316 763936768 /nfs/dbraw/zinc/93/67/68/763936768.db2.gz OXAPRMGONNROOV-ROUUACIJSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001052119316 763936770 /nfs/dbraw/zinc/93/67/70/763936770.db2.gz OXAPRMGONNROOV-ROUUACIJSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777721 764101010 /nfs/dbraw/zinc/10/10/10/764101010.db2.gz JDKMFTCIQQJPPT-JKIFEVAISA-N 2 2 325.428 0.384 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777721 764101014 /nfs/dbraw/zinc/10/10/14/764101014.db2.gz JDKMFTCIQQJPPT-JKIFEVAISA-N 2 2 325.428 0.384 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777721 764101021 /nfs/dbraw/zinc/10/10/21/764101021.db2.gz JDKMFTCIQQJPPT-JKIFEVAISA-N 2 2 325.428 0.384 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777721 764101026 /nfs/dbraw/zinc/10/10/26/764101026.db2.gz JDKMFTCIQQJPPT-JKIFEVAISA-N 2 2 325.428 0.384 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001015296620 764325361 /nfs/dbraw/zinc/32/53/61/764325361.db2.gz XBZZARZFKVOBKQ-CABCVRRESA-N 2 2 331.420 0.169 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001015296620 764325368 /nfs/dbraw/zinc/32/53/68/764325368.db2.gz XBZZARZFKVOBKQ-CABCVRRESA-N 2 2 331.420 0.169 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001047529227 764607946 /nfs/dbraw/zinc/60/79/46/764607946.db2.gz VSHUYQFYDZCAGI-IRXDYDNUSA-N 2 2 346.431 0.411 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001047529227 764607949 /nfs/dbraw/zinc/60/79/49/764607949.db2.gz VSHUYQFYDZCAGI-IRXDYDNUSA-N 2 2 346.431 0.411 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+](CC)CCO1)CCO2 ZINC001053537374 766300634 /nfs/dbraw/zinc/30/06/34/766300634.db2.gz CMSKCRBLURAGLU-MRXNPFEDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)CCO2 ZINC001053537374 766300640 /nfs/dbraw/zinc/30/06/40/766300640.db2.gz CMSKCRBLURAGLU-MRXNPFEDSA-N 2 2 337.464 0.587 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCOC3(C[NH+](C[C@H](C)OC)C3)C2)CC1 ZINC001053540996 766307004 /nfs/dbraw/zinc/30/70/04/766307004.db2.gz PAWWTTWTSUDYRY-INIZCTEOSA-N 2 2 349.475 0.280 20 30 ECEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046034413 766714645 /nfs/dbraw/zinc/71/46/45/766714645.db2.gz VDFIHKLECLEKDU-DLBZAZTESA-N 2 2 333.480 0.603 20 30 ECEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046034413 766714650 /nfs/dbraw/zinc/71/46/50/766714650.db2.gz VDFIHKLECLEKDU-DLBZAZTESA-N 2 2 333.480 0.603 20 30 ECEDLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046040673 766748171 /nfs/dbraw/zinc/74/81/71/766748171.db2.gz HFOUEZJUCLCRIO-ROUUACIJSA-N 2 2 347.507 0.849 20 30 ECEDLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046040673 766748173 /nfs/dbraw/zinc/74/81/73/766748173.db2.gz HFOUEZJUCLCRIO-ROUUACIJSA-N 2 2 347.507 0.849 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218015 767082972 /nfs/dbraw/zinc/08/29/72/767082972.db2.gz JAXNMSLHMFERFB-PKOBYXMFSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218015 767082978 /nfs/dbraw/zinc/08/29/78/767082978.db2.gz JAXNMSLHMFERFB-PKOBYXMFSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218015 767082983 /nfs/dbraw/zinc/08/29/83/767082983.db2.gz JAXNMSLHMFERFB-PKOBYXMFSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218015 767082989 /nfs/dbraw/zinc/08/29/89/767082989.db2.gz JAXNMSLHMFERFB-PKOBYXMFSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2cnon2)C1 ZINC001017147605 767652577 /nfs/dbraw/zinc/65/25/77/767652577.db2.gz ATNXQZZWPWLVTH-WBVHZDCISA-N 2 2 345.447 0.838 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2cnon2)C1 ZINC001017147605 767652583 /nfs/dbraw/zinc/65/25/83/767652583.db2.gz ATNXQZZWPWLVTH-WBVHZDCISA-N 2 2 345.447 0.838 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)Cc2cnon2)C1 ZINC001017147605 767652587 /nfs/dbraw/zinc/65/25/87/767652587.db2.gz ATNXQZZWPWLVTH-WBVHZDCISA-N 2 2 345.447 0.838 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)Cc2cnon2)C1 ZINC001017147605 767652590 /nfs/dbraw/zinc/65/25/90/767652590.db2.gz ATNXQZZWPWLVTH-WBVHZDCISA-N 2 2 345.447 0.838 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001098789387 768572636 /nfs/dbraw/zinc/57/26/36/768572636.db2.gz CHAWLEZBFGBYDP-HNNXBMFYSA-N 2 2 329.408 0.614 20 30 ECEDLP Cc1c[nH+]cn1CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055599726 769225529 /nfs/dbraw/zinc/22/55/29/769225529.db2.gz FODAFHSQDWVZQQ-ZDUSSCGKSA-N 2 2 346.435 0.048 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)CCc3[nH]cc[nH+]3)C2)CC1 ZINC000993855441 769765022 /nfs/dbraw/zinc/76/50/22/769765022.db2.gz PXKJGXBBBXQYTF-UHFFFAOYSA-N 2 2 343.431 0.015 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001019800864 771816218 /nfs/dbraw/zinc/81/62/18/771816218.db2.gz YKFOXBSPLFNKPR-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001019800864 771816223 /nfs/dbraw/zinc/81/62/23/771816223.db2.gz YKFOXBSPLFNKPR-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001070220498 783686096 /nfs/dbraw/zinc/68/60/96/783686096.db2.gz ILXIRRBPMLIPOL-ZNMIVQPWSA-N 2 2 341.419 0.265 20 30 ECEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001070328064 783835305 /nfs/dbraw/zinc/83/53/05/783835305.db2.gz LTMNQSAHORXMBB-KGLIPLIRSA-N 2 2 349.826 0.577 20 30 ECEDLP C#CC[NH+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001070596012 784406590 /nfs/dbraw/zinc/40/65/90/784406590.db2.gz UOUPCKUWXLFOOD-HRCADAONSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[NH+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001070596012 784406596 /nfs/dbraw/zinc/40/65/96/784406596.db2.gz UOUPCKUWXLFOOD-HRCADAONSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCC[NH+]2C)n1 ZINC001070596012 784406602 /nfs/dbraw/zinc/40/66/02/784406602.db2.gz UOUPCKUWXLFOOD-HRCADAONSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCC[NH+]2C)n1 ZINC001070596012 784406608 /nfs/dbraw/zinc/40/66/08/784406608.db2.gz UOUPCKUWXLFOOD-HRCADAONSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3OCC[N@@H+](CCCO)[C@@H]3C2)CC1 ZINC001074415140 786912344 /nfs/dbraw/zinc/91/23/44/786912344.db2.gz LAPKLCMMYCMKDF-MSOLQXFVSA-N 2 2 349.475 0.016 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3OCC[N@H+](CCCO)[C@@H]3C2)CC1 ZINC001074415140 786912351 /nfs/dbraw/zinc/91/23/51/786912351.db2.gz LAPKLCMMYCMKDF-MSOLQXFVSA-N 2 2 349.475 0.016 20 30 ECEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001073690758 786977331 /nfs/dbraw/zinc/97/73/31/786977331.db2.gz GNXRMUYDLRZLHD-INIZCTEOSA-N 2 2 339.399 0.721 20 30 ECEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001073690758 786977337 /nfs/dbraw/zinc/97/73/37/786977337.db2.gz GNXRMUYDLRZLHD-INIZCTEOSA-N 2 2 339.399 0.721 20 30 ECEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073746014 787111993 /nfs/dbraw/zinc/11/19/93/787111993.db2.gz MQNUBJSJZYGAFP-RDJZCZTQSA-N 2 2 330.432 0.594 20 30 ECEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073746014 787111997 /nfs/dbraw/zinc/11/19/97/787111997.db2.gz MQNUBJSJZYGAFP-RDJZCZTQSA-N 2 2 330.432 0.594 20 30 ECEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001073766438 787161504 /nfs/dbraw/zinc/16/15/04/787161504.db2.gz FYMMJRBLECJRCV-INIZCTEOSA-N 2 2 346.431 0.724 20 30 ECEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001073766438 787161509 /nfs/dbraw/zinc/16/15/09/787161509.db2.gz FYMMJRBLECJRCV-INIZCTEOSA-N 2 2 346.431 0.724 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1=O ZINC001267456240 837441794 /nfs/dbraw/zinc/44/17/94/837441794.db2.gz QIFPDPUKEPVRCX-ZDUSSCGKSA-N 2 2 333.436 0.522 20 30 ECEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267575951 837827484 /nfs/dbraw/zinc/82/74/84/837827484.db2.gz OJBATJBNXXGXBT-IRXDYDNUSA-N 2 2 333.480 0.603 20 30 ECEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267575951 837827499 /nfs/dbraw/zinc/82/74/99/837827499.db2.gz OJBATJBNXXGXBT-IRXDYDNUSA-N 2 2 333.480 0.603 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001266333584 835716267 /nfs/dbraw/zinc/71/62/67/835716267.db2.gz QDPDZJUDLZNFGP-CABCVRRESA-N 2 2 331.420 0.251 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001266333584 835716273 /nfs/dbraw/zinc/71/62/73/835716273.db2.gz QDPDZJUDLZNFGP-CABCVRRESA-N 2 2 331.420 0.251 20 30 ECEDLP CC[N@@H+](CC#CCOC)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001266393112 835800592 /nfs/dbraw/zinc/80/05/92/835800592.db2.gz WGQOKZWAXKUVHH-KRWDZBQOSA-N 2 2 347.463 0.878 20 30 ECEDLP CC[N@H+](CC#CCOC)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001266393112 835800604 /nfs/dbraw/zinc/80/06/04/835800604.db2.gz WGQOKZWAXKUVHH-KRWDZBQOSA-N 2 2 347.463 0.878 20 30 ECEDLP CC[NH+](CC#CCOC)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001266393112 835800613 /nfs/dbraw/zinc/80/06/13/835800613.db2.gz WGQOKZWAXKUVHH-KRWDZBQOSA-N 2 2 347.463 0.878 20 30 ECEDLP CC[NH+](CC#CCOC)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001266393112 835800631 /nfs/dbraw/zinc/80/06/31/835800631.db2.gz WGQOKZWAXKUVHH-KRWDZBQOSA-N 2 2 347.463 0.878 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001266598205 836030222 /nfs/dbraw/zinc/03/02/22/836030222.db2.gz NYFCIJBLDYSTFC-RBSFLKMASA-N 2 2 331.420 0.366 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001266598205 836030229 /nfs/dbraw/zinc/03/02/29/836030229.db2.gz NYFCIJBLDYSTFC-RBSFLKMASA-N 2 2 331.420 0.366 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1=O ZINC001266748675 836236735 /nfs/dbraw/zinc/23/67/35/836236735.db2.gz KBRYLMHKGWWPBU-HUUCEWRRSA-N 2 2 345.447 0.280 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267073617 836720095 /nfs/dbraw/zinc/72/00/95/836720095.db2.gz WBFIWKUZILJKLR-INIZCTEOSA-N 2 2 347.463 0.746 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267073577 836720464 /nfs/dbraw/zinc/72/04/64/836720464.db2.gz VMGCOXSIQDRGDY-HZPDHXFCSA-N 2 2 345.447 0.239 20 30 ECEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267205284 836984532 /nfs/dbraw/zinc/98/45/32/836984532.db2.gz YHPRRSAPEHFIGN-UHFFFAOYSA-N 2 2 329.404 0.607 20 30 ECEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267205284 836984547 /nfs/dbraw/zinc/98/45/47/836984547.db2.gz YHPRRSAPEHFIGN-UHFFFAOYSA-N 2 2 329.404 0.607 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001267734794 838429199 /nfs/dbraw/zinc/42/91/99/838429199.db2.gz ZMRHRTFKFROWCZ-INIZCTEOSA-N 2 2 347.463 0.807 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001267734794 838429203 /nfs/dbraw/zinc/42/92/03/838429203.db2.gz ZMRHRTFKFROWCZ-INIZCTEOSA-N 2 2 347.463 0.807 20 30 ECEDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000051760402 214104402 /nfs/dbraw/zinc/10/44/02/214104402.db2.gz WCMICHBZDACQDX-MRXNPFEDSA-N 2 2 346.431 0.004 20 30 ECEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)C1=O ZINC000359705612 270007115 /nfs/dbraw/zinc/00/71/15/270007115.db2.gz JJFQQJSLXMENEY-HNNXBMFYSA-N 2 2 326.404 0.911 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789794 275384131 /nfs/dbraw/zinc/38/41/31/275384131.db2.gz RCKWNEMUODPXGX-HNNXBMFYSA-N 2 2 334.464 0.000 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000330275952 279366529 /nfs/dbraw/zinc/36/65/29/279366529.db2.gz MFOAENMIVZILPP-HZPDHXFCSA-N 2 2 346.479 0.824 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000091581207 436454553 /nfs/dbraw/zinc/45/45/53/436454553.db2.gz NFXZXVIIOTXIRC-MSOLQXFVSA-N 2 2 349.523 0.952 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000091581207 436454555 /nfs/dbraw/zinc/45/45/55/436454555.db2.gz NFXZXVIIOTXIRC-MSOLQXFVSA-N 2 2 349.523 0.952 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000091581207 436454558 /nfs/dbraw/zinc/45/45/58/436454558.db2.gz NFXZXVIIOTXIRC-MSOLQXFVSA-N 2 2 349.523 0.952 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000091581207 436454562 /nfs/dbraw/zinc/45/45/62/436454562.db2.gz NFXZXVIIOTXIRC-MSOLQXFVSA-N 2 2 349.523 0.952 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000113433420 436638101 /nfs/dbraw/zinc/63/81/01/436638101.db2.gz OFYNLPVEBQDYFK-BBWFWOEESA-N 2 2 348.491 0.531 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000113433420 436638102 /nfs/dbraw/zinc/63/81/02/436638102.db2.gz OFYNLPVEBQDYFK-BBWFWOEESA-N 2 2 348.491 0.531 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000113433420 436638104 /nfs/dbraw/zinc/63/81/04/436638104.db2.gz OFYNLPVEBQDYFK-BBWFWOEESA-N 2 2 348.491 0.531 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000113433420 436638105 /nfs/dbraw/zinc/63/81/05/436638105.db2.gz OFYNLPVEBQDYFK-BBWFWOEESA-N 2 2 348.491 0.531 20 30 ECEDLP CC(C)NC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000068776602 436754393 /nfs/dbraw/zinc/75/43/93/436754393.db2.gz LXUDHYLLFAQFKK-UHFFFAOYSA-N 2 2 348.447 0.805 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000158987555 436850934 /nfs/dbraw/zinc/85/09/34/436850934.db2.gz YWLCEBFGKVWFJW-KRWDZBQOSA-N 2 2 335.496 0.850 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000158987555 436850942 /nfs/dbraw/zinc/85/09/42/436850942.db2.gz YWLCEBFGKVWFJW-KRWDZBQOSA-N 2 2 335.496 0.850 20 30 ECEDLP CC(C)(C)OC(=O)N1CCN2C(NCCn3cc[nH+]c3)=[NH+]C[C@H]2C1 ZINC000133863063 436884791 /nfs/dbraw/zinc/88/47/91/436884791.db2.gz OVORWAYSUBUWQQ-ZDUSSCGKSA-N 2 2 334.424 0.764 20 30 ECEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccccc1 ZINC000264078087 437015102 /nfs/dbraw/zinc/01/51/02/437015102.db2.gz GJPGRYZRPTXDPY-CQSZACIVSA-N 2 2 338.477 0.849 20 30 ECEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccccc1 ZINC000264078087 437015106 /nfs/dbraw/zinc/01/51/06/437015106.db2.gz GJPGRYZRPTXDPY-CQSZACIVSA-N 2 2 338.477 0.849 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)CC1 ZINC000304685527 437160748 /nfs/dbraw/zinc/16/07/48/437160748.db2.gz GCBWWKKWXDDLSV-APWZRJJASA-N 2 2 335.492 0.931 20 30 ECEDLP C[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000332777660 437249906 /nfs/dbraw/zinc/24/99/06/437249906.db2.gz QCSWDVOERZNBAF-SUMDDJOVSA-N 2 2 347.507 0.753 20 30 ECEDLP C[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000332777660 437249910 /nfs/dbraw/zinc/24/99/10/437249910.db2.gz QCSWDVOERZNBAF-SUMDDJOVSA-N 2 2 347.507 0.753 20 30 ECEDLP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3OCC[NH+](C)[C@@H]3C2)C1 ZINC000328858632 437272306 /nfs/dbraw/zinc/27/23/06/437272306.db2.gz DQSRNEJPMNRZME-ZNMIVQPWSA-N 2 2 326.441 0.026 20 30 ECEDLP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3OCC[NH+](C)[C@@H]3C2)C1 ZINC000328858632 437272309 /nfs/dbraw/zinc/27/23/09/437272309.db2.gz DQSRNEJPMNRZME-ZNMIVQPWSA-N 2 2 326.441 0.026 20 30 ECEDLP COCC[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000328858632 437272312 /nfs/dbraw/zinc/27/23/12/437272312.db2.gz DQSRNEJPMNRZME-ZNMIVQPWSA-N 2 2 326.441 0.026 20 30 ECEDLP COCC[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000328858632 437272315 /nfs/dbraw/zinc/27/23/15/437272315.db2.gz DQSRNEJPMNRZME-ZNMIVQPWSA-N 2 2 326.441 0.026 20 30 ECEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)C[C@@H]1C ZINC000329827708 437418291 /nfs/dbraw/zinc/41/82/91/437418291.db2.gz IXTXSQXDYDPHEA-KBPBESRZSA-N 2 2 330.498 0.336 20 30 ECEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)C[C@@H]1C ZINC000329827708 437418295 /nfs/dbraw/zinc/41/82/95/437418295.db2.gz IXTXSQXDYDPHEA-KBPBESRZSA-N 2 2 330.498 0.336 20 30 ECEDLP CC(C)[NH+]1CCC(O)(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330280340 437479047 /nfs/dbraw/zinc/47/90/47/437479047.db2.gz SGUSFNRYRHEBCQ-CQSZACIVSA-N 2 2 335.452 0.937 20 30 ECEDLP CC(C)[NH+]1CCC(O)(CNC([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330280340 437479051 /nfs/dbraw/zinc/47/90/51/437479051.db2.gz SGUSFNRYRHEBCQ-CQSZACIVSA-N 2 2 335.452 0.937 20 30 ECEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000330165831 437463220 /nfs/dbraw/zinc/46/32/20/437463220.db2.gz UVNDLHXNGPPREZ-UKRRQHHQSA-N 2 2 329.514 0.173 20 30 ECEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000330165831 437463224 /nfs/dbraw/zinc/46/32/24/437463224.db2.gz UVNDLHXNGPPREZ-UKRRQHHQSA-N 2 2 329.514 0.173 20 30 ECEDLP N#CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000424144548 437893269 /nfs/dbraw/zinc/89/32/69/437893269.db2.gz LQETUFLGLBMAOQ-OAHLLOKOSA-N 2 2 335.452 0.068 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372333614 438071625 /nfs/dbraw/zinc/07/16/25/438071625.db2.gz RHJCLBJTEYRRQI-IAGOWNOFSA-N 2 2 335.496 0.706 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372333614 438071631 /nfs/dbraw/zinc/07/16/31/438071631.db2.gz RHJCLBJTEYRRQI-IAGOWNOFSA-N 2 2 335.496 0.706 20 30 ECEDLP C[NH+]1CCN(C[C@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000367117184 438167280 /nfs/dbraw/zinc/16/72/80/438167280.db2.gz LZXAYMVJUVSYKV-VQIMIIECSA-N 2 2 347.507 0.754 20 30 ECEDLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000367117184 438167284 /nfs/dbraw/zinc/16/72/84/438167284.db2.gz LZXAYMVJUVSYKV-VQIMIIECSA-N 2 2 347.507 0.754 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358852827 438314977 /nfs/dbraw/zinc/31/49/77/438314977.db2.gz GAWZVIJIAFSZQN-HZPDHXFCSA-N 2 2 339.480 0.879 20 30 ECEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000577474793 438843329 /nfs/dbraw/zinc/84/33/29/438843329.db2.gz LGMFFIKJQDBLDN-DLBZAZTESA-N 3 2 337.512 0.969 20 30 ECEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000577474793 438843331 /nfs/dbraw/zinc/84/33/31/438843331.db2.gz LGMFFIKJQDBLDN-DLBZAZTESA-N 3 2 337.512 0.969 20 30 ECEDLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000566123388 439009752 /nfs/dbraw/zinc/00/97/52/439009752.db2.gz IVRCLNNEGNFDOZ-MSOLQXFVSA-N 2 2 342.443 0.704 20 30 ECEDLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000566123388 439009758 /nfs/dbraw/zinc/00/97/58/439009758.db2.gz IVRCLNNEGNFDOZ-MSOLQXFVSA-N 2 2 342.443 0.704 20 30 ECEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000602607918 439115896 /nfs/dbraw/zinc/11/58/96/439115896.db2.gz AEXFXKSSGPQPHE-MRXNPFEDSA-N 2 2 330.436 0.575 20 30 ECEDLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000592523808 439242961 /nfs/dbraw/zinc/24/29/61/439242961.db2.gz QPFQWVPLXRJSKG-ZDUSSCGKSA-N 2 2 326.404 0.758 20 30 ECEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCn3cnc(C#N)n3)c2cc1C ZINC000581811831 439252735 /nfs/dbraw/zinc/25/27/35/439252735.db2.gz DAWXNNDRJAFCBS-AWEZNQCLSA-N 2 2 339.403 0.767 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](COC)c2ccc(F)cc2)CC1 ZINC000490922915 439313470 /nfs/dbraw/zinc/31/34/70/439313470.db2.gz HFWVZTKGDXWEEO-QGZVFWFLSA-N 2 2 333.407 0.880 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000490950027 439317693 /nfs/dbraw/zinc/31/76/93/439317693.db2.gz OFYNLPVEBQDYFK-IXDOHACOSA-N 2 2 348.491 0.531 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000490950027 439317698 /nfs/dbraw/zinc/31/76/98/439317698.db2.gz OFYNLPVEBQDYFK-IXDOHACOSA-N 2 2 348.491 0.531 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000490950027 439317699 /nfs/dbraw/zinc/31/76/99/439317699.db2.gz OFYNLPVEBQDYFK-IXDOHACOSA-N 2 2 348.491 0.531 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000490950027 439317702 /nfs/dbraw/zinc/31/77/02/439317702.db2.gz OFYNLPVEBQDYFK-IXDOHACOSA-N 2 2 348.491 0.531 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000490759679 439296310 /nfs/dbraw/zinc/29/63/10/439296310.db2.gz DRSMVTBAEANOEU-HNNXBMFYSA-N 2 2 335.448 0.427 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000490759679 439296313 /nfs/dbraw/zinc/29/63/13/439296313.db2.gz DRSMVTBAEANOEU-HNNXBMFYSA-N 2 2 335.448 0.427 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000490760767 439296700 /nfs/dbraw/zinc/29/67/00/439296700.db2.gz OWAOJJWIBVNJCU-UHFFFAOYSA-N 3 2 334.508 0.816 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000490760767 439296705 /nfs/dbraw/zinc/29/67/05/439296705.db2.gz OWAOJJWIBVNJCU-UHFFFAOYSA-N 3 2 334.508 0.816 20 30 ECEDLP CC[C@H](C#N)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000593452921 439383262 /nfs/dbraw/zinc/38/32/62/439383262.db2.gz JPLWYENPKCSSQV-OAHLLOKOSA-N 2 2 349.479 0.233 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCC3)C2)CC1 ZINC000530335881 439498904 /nfs/dbraw/zinc/49/89/04/439498904.db2.gz DPLQBSXTDAVUIK-HZPDHXFCSA-N 2 2 333.480 0.649 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCC3)C2)CC1 ZINC000530335881 439498907 /nfs/dbraw/zinc/49/89/07/439498907.db2.gz DPLQBSXTDAVUIK-HZPDHXFCSA-N 2 2 333.480 0.649 20 30 ECEDLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439072 439559462 /nfs/dbraw/zinc/55/94/62/439559462.db2.gz NNIQREVFQMKIHP-CVEARBPZSA-N 2 2 349.479 0.553 20 30 ECEDLP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000594438315 439560762 /nfs/dbraw/zinc/56/07/62/439560762.db2.gz NYVHRTITMFBJDA-OAHLLOKOSA-N 2 2 334.424 0.565 20 30 ECEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCOCCC[NH3+])CC2)cc1 ZINC000599933091 439577091 /nfs/dbraw/zinc/57/70/91/439577091.db2.gz HBBDBAOPGJSXKY-UHFFFAOYSA-N 2 2 345.447 0.751 20 30 ECEDLP C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000594803209 439616430 /nfs/dbraw/zinc/61/64/30/439616430.db2.gz MDMSVCVCONHUDT-KBPBESRZSA-N 2 2 333.502 0.184 20 30 ECEDLP C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000594803209 439616432 /nfs/dbraw/zinc/61/64/32/439616432.db2.gz MDMSVCVCONHUDT-KBPBESRZSA-N 2 2 333.502 0.184 20 30 ECEDLP CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000594821304 439622136 /nfs/dbraw/zinc/62/21/36/439622136.db2.gz LZLAJPLYPVZRAC-CQSZACIVSA-N 2 2 333.502 0.186 20 30 ECEDLP CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000594821304 439622139 /nfs/dbraw/zinc/62/21/39/439622139.db2.gz LZLAJPLYPVZRAC-CQSZACIVSA-N 2 2 333.502 0.186 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nn(C)cc1C#N ZINC000610565357 439625797 /nfs/dbraw/zinc/62/57/97/439625797.db2.gz SQGGFBBVBGLCBV-UHFFFAOYSA-N 2 2 333.440 0.781 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nn(C)cc1C#N ZINC000610565357 439625802 /nfs/dbraw/zinc/62/58/02/439625802.db2.gz SQGGFBBVBGLCBV-UHFFFAOYSA-N 2 2 333.440 0.781 20 30 ECEDLP C[C@@H](C[NH2+]C[C@H](O)COc1ccccc1C#N)C[NH+]1CCOCC1 ZINC000600726341 439695359 /nfs/dbraw/zinc/69/53/59/439695359.db2.gz SMBNEMUCUBOSGN-RDJZCZTQSA-N 2 2 333.432 0.856 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000573873597 322769517 /nfs/dbraw/zinc/76/95/17/322769517.db2.gz CEYNLAMGGCRDNS-HNNXBMFYSA-N 2 2 327.388 0.843 20 30 ECEDLP CO[C@H]1C[C@@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[N@H+](C)C1 ZINC000328979419 546011290 /nfs/dbraw/zinc/01/12/90/546011290.db2.gz XJYJDKSWXINSCN-OFQRWUPVSA-N 2 2 343.493 0.870 20 30 ECEDLP CO[C@H]1C[C@@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)[N@@H+](C)C1 ZINC000328979419 546011294 /nfs/dbraw/zinc/01/12/94/546011294.db2.gz XJYJDKSWXINSCN-OFQRWUPVSA-N 2 2 343.493 0.870 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000730096249 578303244 /nfs/dbraw/zinc/30/32/44/578303244.db2.gz GSWBCDURVNHPNG-INIZCTEOSA-N 2 2 328.416 0.632 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000730096249 578303245 /nfs/dbraw/zinc/30/32/45/578303245.db2.gz GSWBCDURVNHPNG-INIZCTEOSA-N 2 2 328.416 0.632 20 30 ECEDLP C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000773311795 579224613 /nfs/dbraw/zinc/22/46/13/579224613.db2.gz OFNVVOUSWGEQGZ-XIRDDKMYSA-N 2 2 334.464 0.635 20 30 ECEDLP C#C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000773311795 579224615 /nfs/dbraw/zinc/22/46/15/579224615.db2.gz OFNVVOUSWGEQGZ-XIRDDKMYSA-N 2 2 334.464 0.635 20 30 ECEDLP C#C[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCCO1 ZINC000775793656 579271366 /nfs/dbraw/zinc/27/13/66/579271366.db2.gz WPERHFJCZOEDAS-YESZJQIVSA-N 2 2 337.464 0.230 20 30 ECEDLP C#C[C@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCCO1 ZINC000775793656 579271367 /nfs/dbraw/zinc/27/13/67/579271367.db2.gz WPERHFJCZOEDAS-YESZJQIVSA-N 2 2 337.464 0.230 20 30 ECEDLP C#C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000776225234 579277958 /nfs/dbraw/zinc/27/79/58/579277958.db2.gz AKHSDZMIVOXMMZ-BZSNNMDCSA-N 2 2 348.491 0.977 20 30 ECEDLP C#C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCCO1 ZINC000776225234 579277959 /nfs/dbraw/zinc/27/79/59/579277959.db2.gz AKHSDZMIVOXMMZ-BZSNNMDCSA-N 2 2 348.491 0.977 20 30 ECEDLP O=C1[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCCN1O ZINC000895157212 586167242 /nfs/dbraw/zinc/16/72/42/586167242.db2.gz NCHOLSJXFQDLNY-QGZVFWFLSA-N 2 2 349.431 0.867 20 30 ECEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC#C[C@@H]2CCCCO2)CC1 ZINC000893866310 586364569 /nfs/dbraw/zinc/36/45/69/586364569.db2.gz KQKNPKSYXDJGBE-KRWDZBQOSA-N 2 2 336.480 0.884 20 30 ECEDLP C=CC[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000843076082 589049528 /nfs/dbraw/zinc/04/95/28/589049528.db2.gz DUKQHHMIDMOHQX-FUHWJXTLSA-N 2 2 349.475 0.705 20 30 ECEDLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(C#N)ccn1 ZINC000902871189 586760797 /nfs/dbraw/zinc/76/07/97/586760797.db2.gz JTIVOCNPRTWVHO-HOCLYGCPSA-N 2 2 343.431 0.537 20 30 ECEDLP N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000819077885 587466744 /nfs/dbraw/zinc/46/67/44/587466744.db2.gz QAXQXRAZBUTBJY-RBUKOAKNSA-N 2 2 344.459 0.588 20 30 ECEDLP O=C(C#CC1CC[NH2+]CC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000852866591 589519792 /nfs/dbraw/zinc/51/97/92/589519792.db2.gz ZDPZHRFYHSMOCA-UHFFFAOYSA-N 2 2 331.420 0.157 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC000879580699 590324999 /nfs/dbraw/zinc/32/49/99/590324999.db2.gz JIIRZWUHEZGNSU-KSZLIROESA-N 2 2 347.507 0.705 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CC1 ZINC000879580699 590325002 /nfs/dbraw/zinc/32/50/02/590325002.db2.gz JIIRZWUHEZGNSU-KSZLIROESA-N 2 2 347.507 0.705 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000879580699 590325005 /nfs/dbraw/zinc/32/50/05/590325005.db2.gz JIIRZWUHEZGNSU-KSZLIROESA-N 2 2 347.507 0.705 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000879580699 590325009 /nfs/dbraw/zinc/32/50/09/590325009.db2.gz JIIRZWUHEZGNSU-KSZLIROESA-N 2 2 347.507 0.705 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000876717733 590402852 /nfs/dbraw/zinc/40/28/52/590402852.db2.gz GLHHJLKLGYZZKC-AWEZNQCLSA-N 2 2 344.887 0.859 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000876717733 590402854 /nfs/dbraw/zinc/40/28/54/590402854.db2.gz GLHHJLKLGYZZKC-AWEZNQCLSA-N 2 2 344.887 0.859 20 30 ECEDLP C=CC[C@H](C(=O)OC)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000878246434 590509736 /nfs/dbraw/zinc/50/97/36/590509736.db2.gz PGUNEEZQZIHRBL-MRXNPFEDSA-N 2 2 337.464 0.980 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]([C@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000878874378 590548552 /nfs/dbraw/zinc/54/85/52/590548552.db2.gz WFUZBYHOSWFANX-SJLPKXTDSA-N 2 2 349.475 0.064 20 30 ECEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C2 ZINC000884197533 590769904 /nfs/dbraw/zinc/76/99/04/590769904.db2.gz WKEJPXQDSNGYGU-LPMVOBIJSA-N 2 2 332.448 0.449 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000884277287 590794352 /nfs/dbraw/zinc/79/43/52/590794352.db2.gz LNVFJKDZJIRYGU-GJZGRUSLSA-N 2 2 347.415 0.615 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450203 590832286 /nfs/dbraw/zinc/83/22/86/590832286.db2.gz AQVMPKAIJSCYMA-WCXIOVBPSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450203 590832290 /nfs/dbraw/zinc/83/22/90/590832290.db2.gz AQVMPKAIJSCYMA-WCXIOVBPSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450203 590832295 /nfs/dbraw/zinc/83/22/95/590832295.db2.gz AQVMPKAIJSCYMA-WCXIOVBPSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884450203 590832299 /nfs/dbraw/zinc/83/22/99/590832299.db2.gz AQVMPKAIJSCYMA-WCXIOVBPSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000890364514 591151557 /nfs/dbraw/zinc/15/15/57/591151557.db2.gz BMAMVJJZNCQTSF-IRXDYDNUSA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000890364514 591151562 /nfs/dbraw/zinc/15/15/62/591151562.db2.gz BMAMVJJZNCQTSF-IRXDYDNUSA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000919875118 609664687 /nfs/dbraw/zinc/66/46/87/609664687.db2.gz OUWHODDWZRTHHS-HOTGVXAUSA-N 2 2 325.478 0.489 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000919875118 609664688 /nfs/dbraw/zinc/66/46/88/609664688.db2.gz OUWHODDWZRTHHS-HOTGVXAUSA-N 2 2 325.478 0.489 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000919875118 609664689 /nfs/dbraw/zinc/66/46/89/609664689.db2.gz OUWHODDWZRTHHS-HOTGVXAUSA-N 2 2 325.478 0.489 20 30 ECEDLP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC000941463545 610322061 /nfs/dbraw/zinc/32/20/61/610322061.db2.gz ZWLOKXKVYHEGGH-MRXNPFEDSA-N 2 2 343.475 0.850 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC000941587838 610397514 /nfs/dbraw/zinc/39/75/14/610397514.db2.gz WIRMIGQJCYRVLI-MRXNPFEDSA-N 2 2 329.448 0.686 20 30 ECEDLP COCC[NH2+]C1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000923389138 611236764 /nfs/dbraw/zinc/23/67/64/611236764.db2.gz TXIVOECRCWUQOQ-KRWDZBQOSA-N 2 2 333.432 0.998 20 30 ECEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000949451075 611985824 /nfs/dbraw/zinc/98/58/24/611985824.db2.gz RZOYBHPRXKFZSJ-QGZVFWFLSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000949451075 611985825 /nfs/dbraw/zinc/98/58/25/611985825.db2.gz RZOYBHPRXKFZSJ-QGZVFWFLSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC2)C1 ZINC000949451075 611985827 /nfs/dbraw/zinc/98/58/27/611985827.db2.gz RZOYBHPRXKFZSJ-QGZVFWFLSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC2)C1 ZINC000949451075 611985829 /nfs/dbraw/zinc/98/58/29/611985829.db2.gz RZOYBHPRXKFZSJ-QGZVFWFLSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000949529467 612022431 /nfs/dbraw/zinc/02/24/31/612022431.db2.gz VKFWMXBMYVGOJC-KRWDZBQOSA-N 2 2 349.475 0.424 20 30 ECEDLP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000949529467 612022432 /nfs/dbraw/zinc/02/24/32/612022432.db2.gz VKFWMXBMYVGOJC-KRWDZBQOSA-N 2 2 349.475 0.424 20 30 ECEDLP C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC000949529467 612022433 /nfs/dbraw/zinc/02/24/33/612022433.db2.gz VKFWMXBMYVGOJC-KRWDZBQOSA-N 2 2 349.475 0.424 20 30 ECEDLP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC000949529467 612022434 /nfs/dbraw/zinc/02/24/34/612022434.db2.gz VKFWMXBMYVGOJC-KRWDZBQOSA-N 2 2 349.475 0.424 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC000956569013 612914073 /nfs/dbraw/zinc/91/40/73/612914073.db2.gz BIIJJSMBKRMSBP-GOSISDBHSA-N 2 2 346.475 0.097 20 30 ECEDLP CN(C)C(=[NH+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N(C)C ZINC000261999216 735358232 /nfs/dbraw/zinc/35/82/32/735358232.db2.gz OYDANVNUCVKNKH-UHFFFAOYSA-N 2 2 332.452 0.600 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972675624 737348067 /nfs/dbraw/zinc/34/80/67/737348067.db2.gz CSDWIYZYTDOOOG-PKOBYXMFSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972675624 737348070 /nfs/dbraw/zinc/34/80/70/737348070.db2.gz CSDWIYZYTDOOOG-PKOBYXMFSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001024022347 737627365 /nfs/dbraw/zinc/62/73/65/737627365.db2.gz UZYOXOXBUXGTHC-ZBFHGGJFSA-N 2 2 331.420 0.495 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnon2)C1 ZINC001024022347 737627366 /nfs/dbraw/zinc/62/73/66/737627366.db2.gz UZYOXOXBUXGTHC-ZBFHGGJFSA-N 2 2 331.420 0.495 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001024178736 737800747 /nfs/dbraw/zinc/80/07/47/737800747.db2.gz DGWXNZGJDNOAGL-ZBFHGGJFSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000973294843 739058494 /nfs/dbraw/zinc/05/84/94/739058494.db2.gz ZQQOPYMWQYPHQG-JYJNAYRXSA-N 2 2 343.431 0.053 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000973294843 739058497 /nfs/dbraw/zinc/05/84/97/739058497.db2.gz ZQQOPYMWQYPHQG-JYJNAYRXSA-N 2 2 343.431 0.053 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001006473208 751424755 /nfs/dbraw/zinc/42/47/55/751424755.db2.gz QSWPQJNAEBKQQR-MRXNPFEDSA-N 2 2 345.447 0.593 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001026508828 741496261 /nfs/dbraw/zinc/49/62/61/741496261.db2.gz NCBFDJUBSQFRAP-GPANFISMSA-N 2 2 344.463 0.728 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001026508828 741496264 /nfs/dbraw/zinc/49/62/64/741496264.db2.gz NCBFDJUBSQFRAP-GPANFISMSA-N 2 2 344.463 0.728 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001027446559 744486587 /nfs/dbraw/zinc/48/65/87/744486587.db2.gz NNHPNYYIKBAFRY-MSOLQXFVSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001027446559 744486592 /nfs/dbraw/zinc/48/65/92/744486592.db2.gz NNHPNYYIKBAFRY-MSOLQXFVSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccn(C)n2)C1 ZINC001027446559 744486595 /nfs/dbraw/zinc/48/65/95/744486595.db2.gz NNHPNYYIKBAFRY-MSOLQXFVSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccn(C)n2)C1 ZINC001027446559 744486599 /nfs/dbraw/zinc/48/65/99/744486599.db2.gz NNHPNYYIKBAFRY-MSOLQXFVSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999390727 744671250 /nfs/dbraw/zinc/67/12/50/744671250.db2.gz HDLZYCKKEFQCEW-ZFWWWQNUSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC000999390727 744671253 /nfs/dbraw/zinc/67/12/53/744671253.db2.gz HDLZYCKKEFQCEW-ZFWWWQNUSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000999391884 744672065 /nfs/dbraw/zinc/67/20/65/744672065.db2.gz NULYEZXKOGQORK-ZFWWWQNUSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000999391884 744672067 /nfs/dbraw/zinc/67/20/67/744672067.db2.gz NULYEZXKOGQORK-ZFWWWQNUSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC000999392103 744672113 /nfs/dbraw/zinc/67/21/13/744672113.db2.gz PRZLWFXZTCOGKZ-HOTGVXAUSA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC000999392103 744672114 /nfs/dbraw/zinc/67/21/14/744672114.db2.gz PRZLWFXZTCOGKZ-HOTGVXAUSA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC000999393638 744672695 /nfs/dbraw/zinc/67/26/95/744672695.db2.gz XMRXPGTXVLGQKF-IRXDYDNUSA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC000999393638 744672697 /nfs/dbraw/zinc/67/26/97/744672697.db2.gz XMRXPGTXVLGQKF-IRXDYDNUSA-N 2 2 341.459 0.963 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2C[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1=O ZINC000977646730 745332284 /nfs/dbraw/zinc/33/22/84/745332284.db2.gz NFIQXNCMXJFIRG-GJZGRUSLSA-N 2 2 345.447 0.497 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1=O ZINC000977646730 745332291 /nfs/dbraw/zinc/33/22/91/745332291.db2.gz NFIQXNCMXJFIRG-GJZGRUSLSA-N 2 2 345.447 0.497 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3nnc(C)[nH]3)C2)CC1 ZINC001000992485 745958245 /nfs/dbraw/zinc/95/82/45/745958245.db2.gz MCTHBOZMNQVARD-MRXNPFEDSA-N 2 2 344.463 0.539 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnon3)CC[C@@H]2C1 ZINC001087997998 746999036 /nfs/dbraw/zinc/99/90/36/746999036.db2.gz LUTOCWQOWBEXLG-VYDXJSESSA-N 2 2 343.431 0.448 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnon3)CC[C@@H]2C1 ZINC001087997998 746999040 /nfs/dbraw/zinc/99/90/40/746999040.db2.gz LUTOCWQOWBEXLG-VYDXJSESSA-N 2 2 343.431 0.448 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnon3)CC[C@@H]2C1 ZINC001087997998 746999043 /nfs/dbraw/zinc/99/90/43/746999043.db2.gz LUTOCWQOWBEXLG-VYDXJSESSA-N 2 2 343.431 0.448 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnon3)CC[C@@H]2C1 ZINC001087997998 746999046 /nfs/dbraw/zinc/99/90/46/746999046.db2.gz LUTOCWQOWBEXLG-VYDXJSESSA-N 2 2 343.431 0.448 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nncs3)C[C@@H]2C)CC1 ZINC000989829558 754483637 /nfs/dbraw/zinc/48/36/37/754483637.db2.gz TUNUJLVQPXQFKN-ZFWWWQNUSA-N 2 2 347.488 0.962 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)[nH]3)C[C@@H]2C)CC1 ZINC000989829327 754483803 /nfs/dbraw/zinc/48/38/03/754483803.db2.gz RNSSXVIJDRPSQR-BBRMVZONSA-N 2 2 344.463 0.537 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC000989828636 754497530 /nfs/dbraw/zinc/49/75/30/754497530.db2.gz GXSPBNLLDAEYIG-CJNGLKHVSA-N 2 2 345.447 0.802 20 30 ECEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076076995 756054485 /nfs/dbraw/zinc/05/44/85/756054485.db2.gz SUDORULYELJCEC-MLHJIOFPSA-N 2 2 347.459 0.032 20 30 ECEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076076995 756054491 /nfs/dbraw/zinc/05/44/91/756054491.db2.gz SUDORULYELJCEC-MLHJIOFPSA-N 2 2 347.459 0.032 20 30 ECEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076076585 756063046 /nfs/dbraw/zinc/06/30/46/756063046.db2.gz DYHQOTOEAITGIX-MLHJIOFPSA-N 2 2 349.475 0.585 20 30 ECEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC001076076585 756063052 /nfs/dbraw/zinc/06/30/52/756063052.db2.gz DYHQOTOEAITGIX-MLHJIOFPSA-N 2 2 349.475 0.585 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)o2)CC1 ZINC000996687254 758474194 /nfs/dbraw/zinc/47/41/94/758474194.db2.gz VUYXZOWOMIAFJV-HNNXBMFYSA-N 2 2 331.420 0.556 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)o2)CC1 ZINC000996687254 758474200 /nfs/dbraw/zinc/47/42/00/758474200.db2.gz VUYXZOWOMIAFJV-HNNXBMFYSA-N 2 2 331.420 0.556 20 30 ECEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001049517921 758843794 /nfs/dbraw/zinc/84/37/94/758843794.db2.gz NMADOLWZYORTAE-GVDBMIGSSA-N 2 2 329.448 0.512 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001049517921 758843808 /nfs/dbraw/zinc/84/38/08/758843808.db2.gz NMADOLWZYORTAE-GVDBMIGSSA-N 2 2 329.448 0.512 20 30 ECEDLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001032202346 759586241 /nfs/dbraw/zinc/58/62/41/759586241.db2.gz QUHVAWMUBITGBJ-SFHVURJKSA-N 2 2 342.443 0.827 20 30 ECEDLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)C1 ZINC001032202346 759586244 /nfs/dbraw/zinc/58/62/44/759586244.db2.gz QUHVAWMUBITGBJ-SFHVURJKSA-N 2 2 342.443 0.827 20 30 ECEDLP N#Cc1ccccc1C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001051848025 763101155 /nfs/dbraw/zinc/10/11/55/763101155.db2.gz IKQGNLMJVOCXAB-KRWDZBQOSA-N 2 2 339.399 0.841 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922775 763349566 /nfs/dbraw/zinc/34/95/66/763349566.db2.gz MIBBJRFIRLQYLO-VHDGCEQUSA-N 2 2 345.447 0.083 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@]2(C)CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001046905327 763354532 /nfs/dbraw/zinc/35/45/32/763354532.db2.gz CXKIJISDKFCGKC-CRAIPNDOSA-N 2 2 345.447 0.498 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046964173 763475748 /nfs/dbraw/zinc/47/57/48/763475748.db2.gz NBNOKVHIQINBNG-CABCVRRESA-N 2 2 343.418 0.802 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046964173 763475752 /nfs/dbraw/zinc/47/57/52/763475752.db2.gz NBNOKVHIQINBNG-CABCVRRESA-N 2 2 343.418 0.802 20 30 ECEDLP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046964173 763475754 /nfs/dbraw/zinc/47/57/54/763475754.db2.gz NBNOKVHIQINBNG-CABCVRRESA-N 2 2 343.418 0.802 20 30 ECEDLP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046964173 763475757 /nfs/dbraw/zinc/47/57/57/763475757.db2.gz NBNOKVHIQINBNG-CABCVRRESA-N 2 2 343.418 0.802 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001052035603 763643432 /nfs/dbraw/zinc/64/34/32/763643432.db2.gz FFTTYURPOKMBKV-RTBURBONSA-N 2 2 346.519 0.816 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001052035603 763643439 /nfs/dbraw/zinc/64/34/39/763643439.db2.gz FFTTYURPOKMBKV-RTBURBONSA-N 2 2 346.519 0.816 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081457 763799245 /nfs/dbraw/zinc/79/92/45/763799245.db2.gz BQHNFTIKSOFSMF-ZWKOTPCHSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081457 763799248 /nfs/dbraw/zinc/79/92/48/763799248.db2.gz BQHNFTIKSOFSMF-ZWKOTPCHSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081457 763799253 /nfs/dbraw/zinc/79/92/53/763799253.db2.gz BQHNFTIKSOFSMF-ZWKOTPCHSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081457 763799258 /nfs/dbraw/zinc/79/92/58/763799258.db2.gz BQHNFTIKSOFSMF-ZWKOTPCHSA-N 2 2 332.492 0.570 20 30 ECEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334993 764394885 /nfs/dbraw/zinc/39/48/85/764394885.db2.gz SFSVOYFJJNXLLA-MYMJJRTCSA-N 2 2 325.840 0.793 20 30 ECEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334993 764394894 /nfs/dbraw/zinc/39/48/94/764394894.db2.gz SFSVOYFJJNXLLA-MYMJJRTCSA-N 2 2 325.840 0.793 20 30 ECEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015334993 764394901 /nfs/dbraw/zinc/39/49/01/764394901.db2.gz SFSVOYFJJNXLLA-MYMJJRTCSA-N 2 2 325.840 0.793 20 30 ECEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015334993 764394910 /nfs/dbraw/zinc/39/49/10/764394910.db2.gz SFSVOYFJJNXLLA-MYMJJRTCSA-N 2 2 325.840 0.793 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001052457298 764540924 /nfs/dbraw/zinc/54/09/24/764540924.db2.gz QXTSOCNHOHCHPF-WBVHZDCISA-N 2 2 346.475 0.333 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001052457298 764540930 /nfs/dbraw/zinc/54/09/30/764540930.db2.gz QXTSOCNHOHCHPF-WBVHZDCISA-N 2 2 346.475 0.333 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(=O)NC2CC2)CC1 ZINC001052457298 764540934 /nfs/dbraw/zinc/54/09/34/764540934.db2.gz QXTSOCNHOHCHPF-WBVHZDCISA-N 2 2 346.475 0.333 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(=O)NC2CC2)CC1 ZINC001052457298 764540939 /nfs/dbraw/zinc/54/09/39/764540939.db2.gz QXTSOCNHOHCHPF-WBVHZDCISA-N 2 2 346.475 0.333 20 30 ECEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047628629 764930003 /nfs/dbraw/zinc/93/00/03/764930003.db2.gz ITWHTMFLZFNCJI-ROUUACIJSA-N 2 2 342.443 0.658 20 30 ECEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001047628629 764930006 /nfs/dbraw/zinc/93/00/06/764930006.db2.gz ITWHTMFLZFNCJI-ROUUACIJSA-N 2 2 342.443 0.658 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001106461579 768337537 /nfs/dbraw/zinc/33/75/37/768337537.db2.gz FEJWQJUDYNSOQD-HUUCEWRRSA-N 2 2 347.463 0.339 20 30 ECEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017748319 768345188 /nfs/dbraw/zinc/34/51/88/768345188.db2.gz NYVUDGFTZZNDAE-FNYPPERVSA-N 2 2 329.444 0.548 20 30 ECEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017748319 768345192 /nfs/dbraw/zinc/34/51/92/768345192.db2.gz NYVUDGFTZZNDAE-FNYPPERVSA-N 2 2 329.444 0.548 20 30 ECEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001017748319 768345201 /nfs/dbraw/zinc/34/52/01/768345201.db2.gz NYVUDGFTZZNDAE-FNYPPERVSA-N 2 2 329.444 0.548 20 30 ECEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001017748319 768345208 /nfs/dbraw/zinc/34/52/08/768345208.db2.gz NYVUDGFTZZNDAE-FNYPPERVSA-N 2 2 329.444 0.548 20 30 ECEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046040169 766745698 /nfs/dbraw/zinc/74/56/98/766745698.db2.gz FWPREMLMEBDELK-AEFFLSMTSA-N 2 2 341.459 0.297 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046040169 766745702 /nfs/dbraw/zinc/74/57/02/766745702.db2.gz FWPREMLMEBDELK-AEFFLSMTSA-N 2 2 341.459 0.297 20 30 ECEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001046062539 766835726 /nfs/dbraw/zinc/83/57/26/766835726.db2.gz WBXHNJCOURLATP-JKSUJKDBSA-N 2 2 341.459 0.681 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001046062539 766835737 /nfs/dbraw/zinc/83/57/37/766835737.db2.gz WBXHNJCOURLATP-JKSUJKDBSA-N 2 2 341.459 0.681 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046082039 766921030 /nfs/dbraw/zinc/92/10/30/766921030.db2.gz RQJCDOCRARLZAL-SFHVURJKSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046082039 766921032 /nfs/dbraw/zinc/92/10/32/766921032.db2.gz RQJCDOCRARLZAL-SFHVURJKSA-N 2 2 343.475 0.595 20 30 ECEDLP N#CCN1CC[C@@H]([NH+]2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001046085670 766927723 /nfs/dbraw/zinc/92/77/23/766927723.db2.gz IRHLNURMYAWOMP-QGZVFWFLSA-N 2 2 333.480 0.604 20 30 ECEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046086529 766928554 /nfs/dbraw/zinc/92/85/54/766928554.db2.gz WDLYNGHFWNVVMU-SJORKVTESA-N 2 2 333.480 0.603 20 30 ECEDLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046086529 766928556 /nfs/dbraw/zinc/92/85/56/766928556.db2.gz WDLYNGHFWNVVMU-SJORKVTESA-N 2 2 333.480 0.603 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219938 767086767 /nfs/dbraw/zinc/08/67/67/767086767.db2.gz QYGOJLKMTHRODG-IEBWSBKVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219938 767086776 /nfs/dbraw/zinc/08/67/76/767086776.db2.gz QYGOJLKMTHRODG-IEBWSBKVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219938 767086786 /nfs/dbraw/zinc/08/67/86/767086786.db2.gz QYGOJLKMTHRODG-IEBWSBKVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219938 767086796 /nfs/dbraw/zinc/08/67/96/767086796.db2.gz QYGOJLKMTHRODG-IEBWSBKVSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)CO2 ZINC001053881474 767150674 /nfs/dbraw/zinc/15/06/74/767150674.db2.gz JWLFTGZSKUPNGW-IAGOWNOFSA-N 2 2 331.460 0.844 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2COC3(C[NH+](C[C@@H](C)OC)C3)C2)CC1 ZINC001054016154 767606375 /nfs/dbraw/zinc/60/63/75/767606375.db2.gz VVZNUIWMOJTPIN-WBVHZDCISA-N 2 2 349.475 0.326 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498631 768382242 /nfs/dbraw/zinc/38/22/42/768382242.db2.gz HVUMDCBEWQKKDR-OWCLPIDISA-N 2 2 345.447 0.095 20 30 ECEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001106621461 768519852 /nfs/dbraw/zinc/51/98/52/768519852.db2.gz MAMXSSVACZERGA-UNEWFSDZSA-N 2 2 347.463 0.717 20 30 ECEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001106621461 768519855 /nfs/dbraw/zinc/51/98/55/768519855.db2.gz MAMXSSVACZERGA-UNEWFSDZSA-N 2 2 347.463 0.717 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001018391097 769275469 /nfs/dbraw/zinc/27/54/69/769275469.db2.gz CLXCOTMCZBCWTJ-KRWDZBQOSA-N 2 2 348.491 0.651 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001020250336 772350100 /nfs/dbraw/zinc/35/01/00/772350100.db2.gz CCWATJOFDWSTNJ-AJNGGQMLSA-N 2 2 344.463 0.763 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001020250336 772350107 /nfs/dbraw/zinc/35/01/07/772350107.db2.gz CCWATJOFDWSTNJ-AJNGGQMLSA-N 2 2 344.463 0.763 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2CCC)C1 ZINC001020250756 772351418 /nfs/dbraw/zinc/35/14/18/772351418.db2.gz PCWKAUFYGXYAHE-JYJNAYRXSA-N 2 2 344.463 0.523 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncnn2CCC)C1 ZINC001020250756 772351424 /nfs/dbraw/zinc/35/14/24/772351424.db2.gz PCWKAUFYGXYAHE-JYJNAYRXSA-N 2 2 344.463 0.523 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046755 790442418 /nfs/dbraw/zinc/44/24/18/790442418.db2.gz MVAHLONNAQXCFT-SJORKVTESA-N 2 2 344.463 0.375 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070046755 790442425 /nfs/dbraw/zinc/44/24/25/790442425.db2.gz MVAHLONNAQXCFT-SJORKVTESA-N 2 2 344.463 0.375 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079239400 780913566 /nfs/dbraw/zinc/91/35/66/780913566.db2.gz QSPXWTIJUGEOGR-JKSUJKDBSA-N 2 2 342.443 0.915 20 30 ECEDLP C#CCC[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079268192 780944731 /nfs/dbraw/zinc/94/47/31/780944731.db2.gz SEEOLIZZQLTXBX-JKSUJKDBSA-N 2 2 342.443 0.915 20 30 ECEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077675242 781479487 /nfs/dbraw/zinc/47/94/87/781479487.db2.gz GMDWAWKWWPWAKW-ZTFGCOKTSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077675242 781479489 /nfs/dbraw/zinc/47/94/89/781479489.db2.gz GMDWAWKWWPWAKW-ZTFGCOKTSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077675242 781479491 /nfs/dbraw/zinc/47/94/91/781479491.db2.gz GMDWAWKWWPWAKW-ZTFGCOKTSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077675242 781479494 /nfs/dbraw/zinc/47/94/94/781479494.db2.gz GMDWAWKWWPWAKW-ZTFGCOKTSA-N 2 2 342.443 0.704 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cncn1C ZINC001070643253 784485598 /nfs/dbraw/zinc/48/55/98/784485598.db2.gz SJCPMCSKZRXPKC-ZIAGYGMSSA-N 2 2 326.404 0.293 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cncn1C ZINC001070713827 784584647 /nfs/dbraw/zinc/58/46/47/784584647.db2.gz NIBFPAOHMXOWJU-UKRRQHHQSA-N 2 2 328.420 0.764 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001073665308 786914169 /nfs/dbraw/zinc/91/41/69/786914169.db2.gz WSOMWSQKAJCADL-HOTGVXAUSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001073665308 786914176 /nfs/dbraw/zinc/91/41/76/786914176.db2.gz WSOMWSQKAJCADL-HOTGVXAUSA-N 2 2 330.432 0.676 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942287 790218587 /nfs/dbraw/zinc/21/85/87/790218587.db2.gz VKFQLTJBCWGCMI-OAGGEKHMSA-N 2 2 332.452 0.680 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942287 790218588 /nfs/dbraw/zinc/21/85/88/790218588.db2.gz VKFQLTJBCWGCMI-OAGGEKHMSA-N 2 2 332.452 0.680 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942287 790218590 /nfs/dbraw/zinc/21/85/90/790218590.db2.gz VKFQLTJBCWGCMI-OAGGEKHMSA-N 2 2 332.452 0.680 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942287 790218592 /nfs/dbraw/zinc/21/85/92/790218592.db2.gz VKFQLTJBCWGCMI-OAGGEKHMSA-N 2 2 332.452 0.680 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945736 790224869 /nfs/dbraw/zinc/22/48/69/790224869.db2.gz UNWCKIMPWOJNQC-ILXRZTDVSA-N 2 2 341.419 0.580 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945736 790224872 /nfs/dbraw/zinc/22/48/72/790224872.db2.gz UNWCKIMPWOJNQC-ILXRZTDVSA-N 2 2 341.419 0.580 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2nc(CCC)no2)CC1 ZINC001267472933 837496113 /nfs/dbraw/zinc/49/61/13/837496113.db2.gz CBVCFUOQBUQRJJ-UHFFFAOYSA-N 2 2 347.463 0.915 20 30 ECEDLP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001266797424 836318357 /nfs/dbraw/zinc/31/83/57/836318357.db2.gz CJQNKDAUCMYSDX-KSZLIROESA-N 2 2 349.475 0.328 20 30 ECEDLP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001266913988 836471239 /nfs/dbraw/zinc/47/12/39/836471239.db2.gz XGKNEMOEMRJGNL-UHFFFAOYSA-N 2 2 345.447 0.119 20 30 ECEDLP C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267003723 836601497 /nfs/dbraw/zinc/60/14/97/836601497.db2.gz RCBVFIANTRXJOB-HNNXBMFYSA-N 2 2 333.436 0.404 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NCC(C)C ZINC001267200134 836972056 /nfs/dbraw/zinc/97/20/56/836972056.db2.gz FQWNJGZZQDHYEW-HOTGVXAUSA-N 2 2 336.480 0.293 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NCC(C)C ZINC001267200134 836972069 /nfs/dbraw/zinc/97/20/69/836972069.db2.gz FQWNJGZZQDHYEW-HOTGVXAUSA-N 2 2 336.480 0.293 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(=O)NCC(C)C ZINC001267200134 836972082 /nfs/dbraw/zinc/97/20/82/836972082.db2.gz FQWNJGZZQDHYEW-HOTGVXAUSA-N 2 2 336.480 0.293 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(=O)NCC(C)C ZINC001267200134 836972091 /nfs/dbraw/zinc/97/20/91/836972091.db2.gz FQWNJGZZQDHYEW-HOTGVXAUSA-N 2 2 336.480 0.293 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nnc(C2CC2)o1 ZINC001267386556 837322457 /nfs/dbraw/zinc/32/24/57/837322457.db2.gz MCINGKQUPGUHJN-AWEZNQCLSA-N 2 2 331.420 0.593 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nnc(C2CC2)o1 ZINC001267386556 837322469 /nfs/dbraw/zinc/32/24/69/837322469.db2.gz MCINGKQUPGUHJN-AWEZNQCLSA-N 2 2 331.420 0.593 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267689353 838258818 /nfs/dbraw/zinc/25/88/18/838258818.db2.gz DFXRQWVIYPAAKV-ZIAGYGMSSA-N 2 2 333.436 0.423 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267689353 838258824 /nfs/dbraw/zinc/25/88/24/838258824.db2.gz DFXRQWVIYPAAKV-ZIAGYGMSSA-N 2 2 333.436 0.423 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC(C)C)C2)CC1 ZINC001267753776 838476934 /nfs/dbraw/zinc/47/69/34/838476934.db2.gz DYOLQOFLESHZPK-MRXNPFEDSA-N 2 2 334.464 0.047 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC(C)C)C2)CC1 ZINC001267753776 838476937 /nfs/dbraw/zinc/47/69/37/838476937.db2.gz DYOLQOFLESHZPK-MRXNPFEDSA-N 2 2 334.464 0.047 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267971166 838892256 /nfs/dbraw/zinc/89/22/56/838892256.db2.gz ZXKNGVJLHXNPPF-MRXNPFEDSA-N 2 2 347.463 0.855 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267971166 838892270 /nfs/dbraw/zinc/89/22/70/838892270.db2.gz ZXKNGVJLHXNPPF-MRXNPFEDSA-N 2 2 347.463 0.855 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nn(CC)nc1C ZINC001268068831 839259993 /nfs/dbraw/zinc/25/99/93/839259993.db2.gz OXUASWQLFXCENN-YOEHRIQHSA-N 2 2 346.479 0.641 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nn(CC)nc1C ZINC001268068831 839260007 /nfs/dbraw/zinc/26/00/07/839260007.db2.gz OXUASWQLFXCENN-YOEHRIQHSA-N 2 2 346.479 0.641 20 30 ECEDLP CC[NH+]=C(NCC(C)(C)[NH+]1CCOCC1)N1CCN(C(C)=O)CC1 ZINC000263276679 278166046 /nfs/dbraw/zinc/16/60/46/278166046.db2.gz YPTCYABRIOWJNH-UHFFFAOYSA-N 2 2 339.484 0.227 20 30 ECEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080611336 436325658 /nfs/dbraw/zinc/32/56/58/436325658.db2.gz LTPSSEZQDSQRLI-IRXDYDNUSA-N 2 2 334.464 0.935 20 30 ECEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080611336 436325662 /nfs/dbraw/zinc/32/56/62/436325662.db2.gz LTPSSEZQDSQRLI-IRXDYDNUSA-N 2 2 334.464 0.935 20 30 ECEDLP C#CCC[NH+]1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000091480522 436449962 /nfs/dbraw/zinc/44/99/62/436449962.db2.gz CQMNGIFKTCDGOU-INIZCTEOSA-N 2 2 329.448 0.831 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000066534258 436688494 /nfs/dbraw/zinc/68/84/94/436688494.db2.gz RSCFXYYZORCRLX-UHFFFAOYSA-N 2 2 328.460 0.485 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066534258 436688497 /nfs/dbraw/zinc/68/84/97/436688497.db2.gz RSCFXYYZORCRLX-UHFFFAOYSA-N 2 2 328.460 0.485 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000246085776 436772257 /nfs/dbraw/zinc/77/22/57/436772257.db2.gz NFXZXVIIOTXIRC-ROUUACIJSA-N 2 2 349.523 0.952 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CC1 ZINC000246085776 436772260 /nfs/dbraw/zinc/77/22/60/436772260.db2.gz NFXZXVIIOTXIRC-ROUUACIJSA-N 2 2 349.523 0.952 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000246085776 436772262 /nfs/dbraw/zinc/77/22/62/436772262.db2.gz NFXZXVIIOTXIRC-ROUUACIJSA-N 2 2 349.523 0.952 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000246085776 436772266 /nfs/dbraw/zinc/77/22/66/436772266.db2.gz NFXZXVIIOTXIRC-ROUUACIJSA-N 2 2 349.523 0.952 20 30 ECEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131246832 436849843 /nfs/dbraw/zinc/84/98/43/436849843.db2.gz MMWBZFZMDWMXBP-NVXWUHKLSA-N 2 2 348.491 0.990 20 30 ECEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131246832 436849845 /nfs/dbraw/zinc/84/98/45/436849845.db2.gz MMWBZFZMDWMXBP-NVXWUHKLSA-N 2 2 348.491 0.990 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)NC[C@](C)(O)c1cccs1 ZINC000261842480 436892042 /nfs/dbraw/zinc/89/20/42/436892042.db2.gz WKYNYJSZIHBJRB-WFASDCNBSA-N 2 2 326.466 0.451 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)NC[C@](C)(O)c1cccs1 ZINC000261842480 436892046 /nfs/dbraw/zinc/89/20/46/436892046.db2.gz WKYNYJSZIHBJRB-WFASDCNBSA-N 2 2 326.466 0.451 20 30 ECEDLP C[NH+](C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264119970 437017540 /nfs/dbraw/zinc/01/75/40/437017540.db2.gz QTMLXUXRNSQLOH-QGZVFWFLSA-N 3 2 333.480 0.916 20 30 ECEDLP N#Cc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000172697516 437024945 /nfs/dbraw/zinc/02/49/45/437024945.db2.gz BJPGVJJHYOSNFI-KRWDZBQOSA-N 2 2 328.416 0.581 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000174776913 437087884 /nfs/dbraw/zinc/08/78/84/437087884.db2.gz JGVRMKRPSSRVNR-KRWDZBQOSA-N 2 2 340.468 0.019 20 30 ECEDLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC000329182998 437329596 /nfs/dbraw/zinc/32/95/96/437329596.db2.gz FMGCQIDFDBEMSL-JALIKCBVSA-N 2 2 338.452 0.357 20 30 ECEDLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC000329182998 437329601 /nfs/dbraw/zinc/32/96/01/437329601.db2.gz FMGCQIDFDBEMSL-JALIKCBVSA-N 2 2 338.452 0.357 20 30 ECEDLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC000329182998 437329602 /nfs/dbraw/zinc/32/96/02/437329602.db2.gz FMGCQIDFDBEMSL-JALIKCBVSA-N 2 2 338.452 0.357 20 30 ECEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000330165829 437463604 /nfs/dbraw/zinc/46/36/04/437463604.db2.gz UVNDLHXNGPPREZ-HIFRSBDPSA-N 2 2 329.514 0.173 20 30 ECEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000330165829 437463607 /nfs/dbraw/zinc/46/36/07/437463607.db2.gz UVNDLHXNGPPREZ-HIFRSBDPSA-N 2 2 329.514 0.173 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000343739216 437642749 /nfs/dbraw/zinc/64/27/49/437642749.db2.gz MAEJNGKORTZRGL-UHFFFAOYSA-N 2 2 347.463 0.922 20 30 ECEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000371321030 437916987 /nfs/dbraw/zinc/91/69/87/437916987.db2.gz MMWBZFZMDWMXBP-RDJZCZTQSA-N 2 2 348.491 0.990 20 30 ECEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000371321030 437916992 /nfs/dbraw/zinc/91/69/92/437916992.db2.gz MMWBZFZMDWMXBP-RDJZCZTQSA-N 2 2 348.491 0.990 20 30 ECEDLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)c[nH+]2)CCO1 ZINC000424141942 437893101 /nfs/dbraw/zinc/89/31/01/437893101.db2.gz XXHWQHGESSCURD-UKRRQHHQSA-N 2 2 331.420 0.944 20 30 ECEDLP C=CCn1cc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)nn1 ZINC000424172433 437898700 /nfs/dbraw/zinc/89/87/00/437898700.db2.gz NXUIXMDJSKYTAQ-UHFFFAOYSA-N 2 2 328.424 0.296 20 30 ECEDLP C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370356 438078570 /nfs/dbraw/zinc/07/85/70/438078570.db2.gz QPVXEBFTSKRWAP-PKOBYXMFSA-N 2 2 347.507 0.895 20 30 ECEDLP CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372370356 438078571 /nfs/dbraw/zinc/07/85/71/438078571.db2.gz QPVXEBFTSKRWAP-PKOBYXMFSA-N 2 2 347.507 0.895 20 30 ECEDLP CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372370356 438078572 /nfs/dbraw/zinc/07/85/72/438078572.db2.gz QPVXEBFTSKRWAP-PKOBYXMFSA-N 2 2 347.507 0.895 20 30 ECEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCO[C@@H](C#N)C3)CC2)CC1 ZINC000358327666 438200996 /nfs/dbraw/zinc/20/09/96/438200996.db2.gz JXWGTHJXMRUOFX-INIZCTEOSA-N 2 2 335.452 0.479 20 30 ECEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000576822339 438801065 /nfs/dbraw/zinc/80/10/65/438801065.db2.gz BXHFMVDTGQHIFU-ZWKOTPCHSA-N 2 2 347.459 0.929 20 30 ECEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000576822339 438801068 /nfs/dbraw/zinc/80/10/68/438801068.db2.gz BXHFMVDTGQHIFU-ZWKOTPCHSA-N 2 2 347.459 0.929 20 30 ECEDLP N#Cc1c(F)cccc1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000602006335 438998026 /nfs/dbraw/zinc/99/80/26/438998026.db2.gz JXLUYKFHTFTVJA-HNNXBMFYSA-N 2 2 346.406 0.720 20 30 ECEDLP C=C(C)CN(CC)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000459818137 439006339 /nfs/dbraw/zinc/00/63/39/439006339.db2.gz BQBGEWRVYSRBGI-UHFFFAOYSA-N 2 2 338.496 0.895 20 30 ECEDLP C=C(C)CN(CC)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000459818137 439006346 /nfs/dbraw/zinc/00/63/46/439006346.db2.gz BQBGEWRVYSRBGI-UHFFFAOYSA-N 2 2 338.496 0.895 20 30 ECEDLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000580183101 439068507 /nfs/dbraw/zinc/06/85/07/439068507.db2.gz SZIKFFQVLLXHRA-HLLBOEOZSA-N 2 2 333.432 0.997 20 30 ECEDLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCOc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000580183101 439068512 /nfs/dbraw/zinc/06/85/12/439068512.db2.gz SZIKFFQVLLXHRA-HLLBOEOZSA-N 2 2 333.432 0.997 20 30 ECEDLP N#CC[C@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000592150639 439167904 /nfs/dbraw/zinc/16/79/04/439167904.db2.gz FNGFVRVAFPNSSU-KRWDZBQOSA-N 2 2 348.472 0.743 20 30 ECEDLP N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000592150639 439167907 /nfs/dbraw/zinc/16/79/07/439167907.db2.gz FNGFVRVAFPNSSU-KRWDZBQOSA-N 2 2 348.472 0.743 20 30 ECEDLP C[NH+]1CCN(c2ncc(C[NH+]3CCN(CCC#N)CC3)cn2)CC1 ZINC000602748917 439130176 /nfs/dbraw/zinc/13/01/76/439130176.db2.gz WQBZBSMPKSFGOB-UHFFFAOYSA-N 2 2 329.452 0.260 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)CC1 ZINC000490922881 439314565 /nfs/dbraw/zinc/31/45/65/439314565.db2.gz GYISWNRANNUHJX-LJQANCHMSA-N 2 2 345.418 0.496 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)CC1 ZINC000490922881 439314570 /nfs/dbraw/zinc/31/45/70/439314570.db2.gz GYISWNRANNUHJX-LJQANCHMSA-N 2 2 345.418 0.496 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000490695623 439287647 /nfs/dbraw/zinc/28/76/47/439287647.db2.gz FBHBSWNESVASGW-HZPDHXFCSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000490695623 439287651 /nfs/dbraw/zinc/28/76/51/439287651.db2.gz FBHBSWNESVASGW-HZPDHXFCSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000490695620 439287667 /nfs/dbraw/zinc/28/76/67/439287667.db2.gz FBHBSWNESVASGW-HOTGVXAUSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000490695620 439287671 /nfs/dbraw/zinc/28/76/71/439287671.db2.gz FBHBSWNESVASGW-HOTGVXAUSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC3(C[C@H]3C(=O)OC)CC2)CC1 ZINC000490839674 439303118 /nfs/dbraw/zinc/30/31/18/439303118.db2.gz JGSYJAWMNDXQRF-HNNXBMFYSA-N 2 2 333.432 0.039 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCc2[nH+]ccn2CCC)CC1 ZINC000491619473 439412009 /nfs/dbraw/zinc/41/20/09/439412009.db2.gz FEEJQRGAJNEWBX-UHFFFAOYSA-N 3 2 345.491 0.935 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCc2[nH+]ccn2CCC)CC1 ZINC000491619473 439412016 /nfs/dbraw/zinc/41/20/16/439412016.db2.gz FEEJQRGAJNEWBX-UHFFFAOYSA-N 3 2 345.491 0.935 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491673351 439424754 /nfs/dbraw/zinc/42/47/54/439424754.db2.gz IJMXGALIGYKCBD-ZFWWWQNUSA-N 2 2 347.381 0.399 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491673351 439424757 /nfs/dbraw/zinc/42/47/57/439424757.db2.gz IJMXGALIGYKCBD-ZFWWWQNUSA-N 2 2 347.381 0.399 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)CC1 ZINC000491786200 439450396 /nfs/dbraw/zinc/45/03/96/439450396.db2.gz UMHGNNQFUJVEAI-MSOLQXFVSA-N 2 2 327.428 0.572 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)CC1 ZINC000491786200 439450401 /nfs/dbraw/zinc/45/04/01/439450401.db2.gz UMHGNNQFUJVEAI-MSOLQXFVSA-N 2 2 327.428 0.572 20 30 ECEDLP CCN(CC[NH3+])C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000600798109 439703075 /nfs/dbraw/zinc/70/30/75/439703075.db2.gz QIEPSYOKVHEVJA-UHFFFAOYSA-N 2 2 343.431 0.010 20 30 ECEDLP C[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C[NH+]1CCOCC1 ZINC000600723808 439695280 /nfs/dbraw/zinc/69/52/80/439695280.db2.gz MEFSZDQYHADVGK-HOTGVXAUSA-N 2 2 325.453 0.616 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000600742687 439697010 /nfs/dbraw/zinc/69/70/10/439697010.db2.gz KEENLKGANFNJEM-IAGOWNOFSA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000600742687 439697013 /nfs/dbraw/zinc/69/70/13/439697013.db2.gz KEENLKGANFNJEM-IAGOWNOFSA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@H](O)C[NH+]3CCCC3)C2=O)cc1 ZINC000600732701 439697111 /nfs/dbraw/zinc/69/71/11/439697111.db2.gz DEOXHVNHCMLHCZ-ZWKOTPCHSA-N 2 2 342.443 0.705 20 30 ECEDLP C=CCCn1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)nn1 ZINC000641786498 439915371 /nfs/dbraw/zinc/91/53/71/439915371.db2.gz FSTJZUMXKUWKMX-KRWDZBQOSA-N 2 2 348.495 0.740 20 30 ECEDLP N#Cc1cnn2cc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cnc12 ZINC000555554282 322183328 /nfs/dbraw/zinc/18/33/28/322183328.db2.gz VGKMMXSXFYNAQI-UHFFFAOYSA-N 2 2 339.447 0.814 20 30 ECEDLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619613037 546347908 /nfs/dbraw/zinc/34/79/08/546347908.db2.gz MDMMEXCWGMXQFK-UKRRQHHQSA-N 2 2 345.451 0.338 20 30 ECEDLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619613037 546347909 /nfs/dbraw/zinc/34/79/09/546347909.db2.gz MDMMEXCWGMXQFK-UKRRQHHQSA-N 2 2 345.451 0.338 20 30 ECEDLP C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641407 548365699 /nfs/dbraw/zinc/36/56/99/548365699.db2.gz PYZTWMGPQSVANJ-HNNXBMFYSA-N 2 2 336.480 0.696 20 30 ECEDLP C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641407 548365706 /nfs/dbraw/zinc/36/57/06/548365706.db2.gz PYZTWMGPQSVANJ-HNNXBMFYSA-N 2 2 336.480 0.696 20 30 ECEDLP C[C@H]1C[N@@H+](C2CC2)CC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000755879541 579440544 /nfs/dbraw/zinc/44/05/44/579440544.db2.gz LTIVESSKBMWVNX-LBPRGKRZSA-N 2 2 325.482 0.253 20 30 ECEDLP C[C@H]1C[N@H+](C2CC2)CC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000755879541 579440545 /nfs/dbraw/zinc/44/05/45/579440545.db2.gz LTIVESSKBMWVNX-LBPRGKRZSA-N 2 2 325.482 0.253 20 30 ECEDLP CCN(C)C(=O)CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000758761598 579481284 /nfs/dbraw/zinc/48/12/84/579481284.db2.gz NKTIFCMMCIYDCF-UHFFFAOYSA-N 2 2 334.420 0.634 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000730104500 578303462 /nfs/dbraw/zinc/30/34/62/578303462.db2.gz NUIUEFCVZQZYNZ-KRWDZBQOSA-N 2 2 348.491 0.487 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000730104500 578303463 /nfs/dbraw/zinc/30/34/63/578303463.db2.gz NUIUEFCVZQZYNZ-KRWDZBQOSA-N 2 2 348.491 0.487 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC(=O)N(CC)CC)CC1 ZINC000730104500 578303464 /nfs/dbraw/zinc/30/34/64/578303464.db2.gz NUIUEFCVZQZYNZ-KRWDZBQOSA-N 2 2 348.491 0.487 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC(=O)N(CC)CC)CC1 ZINC000730104500 578303465 /nfs/dbraw/zinc/30/34/65/578303465.db2.gz NUIUEFCVZQZYNZ-KRWDZBQOSA-N 2 2 348.491 0.487 20 30 ECEDLP C#C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000775788662 579271181 /nfs/dbraw/zinc/27/11/81/579271181.db2.gz ITQNDNOZJGRBTK-IAGOWNOFSA-N 2 2 342.443 0.891 20 30 ECEDLP C=CCNC(=O)C[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000893319496 586323822 /nfs/dbraw/zinc/32/38/22/586323822.db2.gz RIKLIFHYQLMZNP-UHFFFAOYSA-N 2 2 340.468 0.867 20 30 ECEDLP CN1CC[NH+](Cc2ccc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)cc2)CC1 ZINC000844195694 589102458 /nfs/dbraw/zinc/10/24/58/589102458.db2.gz YCBVOZGFPGKZCI-DLBZAZTESA-N 2 2 327.432 0.275 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849540103 589339727 /nfs/dbraw/zinc/33/97/27/589339727.db2.gz BKEVFFLXJIFZPL-IAGOWNOFSA-N 2 2 329.448 0.233 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849540103 589339729 /nfs/dbraw/zinc/33/97/29/589339729.db2.gz BKEVFFLXJIFZPL-IAGOWNOFSA-N 2 2 329.448 0.233 20 30 ECEDLP O=C(C#CC1CC[NH2+]CC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000852862279 589519018 /nfs/dbraw/zinc/51/90/18/589519018.db2.gz YMZPXOZEPCCZIK-KRWDZBQOSA-N 2 2 337.489 0.314 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000854094592 589571038 /nfs/dbraw/zinc/57/10/38/589571038.db2.gz XDTZGOLEQDRNOZ-AWEZNQCLSA-N 2 2 335.452 0.734 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000854094592 589571040 /nfs/dbraw/zinc/57/10/40/589571040.db2.gz XDTZGOLEQDRNOZ-AWEZNQCLSA-N 2 2 335.452 0.734 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112281469 589590068 /nfs/dbraw/zinc/59/00/68/589590068.db2.gz JIDDDAQVMWMOTP-UHFFFAOYSA-N 2 2 341.459 0.615 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)CC1 ZINC000874383134 590236994 /nfs/dbraw/zinc/23/69/94/590236994.db2.gz OXMKXVFARZURCQ-QGZVFWFLSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)CC1 ZINC000874383134 590236996 /nfs/dbraw/zinc/23/69/96/590236996.db2.gz OXMKXVFARZURCQ-QGZVFWFLSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000874383134 590236997 /nfs/dbraw/zinc/23/69/97/590236997.db2.gz OXMKXVFARZURCQ-QGZVFWFLSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000874383134 590236999 /nfs/dbraw/zinc/23/69/99/590236999.db2.gz OXMKXVFARZURCQ-QGZVFWFLSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000874383161 590237065 /nfs/dbraw/zinc/23/70/65/590237065.db2.gz PQQZTFRIJLRUDO-UHFFFAOYSA-N 2 2 346.475 0.146 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000874383161 590237067 /nfs/dbraw/zinc/23/70/67/590237067.db2.gz PQQZTFRIJLRUDO-UHFFFAOYSA-N 2 2 346.475 0.146 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591920 590327036 /nfs/dbraw/zinc/32/70/36/590327036.db2.gz AWTFGFGQEBWUAZ-INIZCTEOSA-N 2 2 335.496 0.706 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000884178293 590764126 /nfs/dbraw/zinc/76/41/26/590764126.db2.gz IAYFHDKKNXHCFX-LSDHHAIUSA-N 2 2 337.395 0.991 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000884187492 590767228 /nfs/dbraw/zinc/76/72/28/590767228.db2.gz GVERCIXBCKKFBX-INIZCTEOSA-N 2 2 346.431 0.609 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000884189105 590767594 /nfs/dbraw/zinc/76/75/94/590767594.db2.gz WYCALZGUDFEUIE-INIZCTEOSA-N 2 2 331.416 0.608 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000884189105 590767597 /nfs/dbraw/zinc/76/75/97/590767597.db2.gz WYCALZGUDFEUIE-INIZCTEOSA-N 2 2 331.416 0.608 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000887679733 590991766 /nfs/dbraw/zinc/99/17/66/590991766.db2.gz HHIVVBYGRMGULT-QGZVFWFLSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000887679733 590991767 /nfs/dbraw/zinc/99/17/67/590991767.db2.gz HHIVVBYGRMGULT-QGZVFWFLSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000890371865 591154994 /nfs/dbraw/zinc/15/49/94/591154994.db2.gz CKZJMFWLCPJSEO-QGZVFWFLSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000890371865 591154996 /nfs/dbraw/zinc/15/49/96/591154996.db2.gz CKZJMFWLCPJSEO-QGZVFWFLSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000890371865 591154998 /nfs/dbraw/zinc/15/49/98/591154998.db2.gz CKZJMFWLCPJSEO-QGZVFWFLSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000890371865 591155001 /nfs/dbraw/zinc/15/50/01/591155001.db2.gz CKZJMFWLCPJSEO-QGZVFWFLSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000924035182 608725306 /nfs/dbraw/zinc/72/53/06/608725306.db2.gz IDMUANWYWZQLIU-HRCADAONSA-N 2 2 336.505 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000924035182 608725308 /nfs/dbraw/zinc/72/53/08/608725308.db2.gz IDMUANWYWZQLIU-HRCADAONSA-N 2 2 336.505 0.963 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000924035182 608725312 /nfs/dbraw/zinc/72/53/12/608725312.db2.gz IDMUANWYWZQLIU-HRCADAONSA-N 2 2 336.505 0.963 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000924035182 608725317 /nfs/dbraw/zinc/72/53/17/608725317.db2.gz IDMUANWYWZQLIU-HRCADAONSA-N 2 2 336.505 0.963 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000913998414 609842262 /nfs/dbraw/zinc/84/22/62/609842262.db2.gz LWBBPXHPVWJLRF-GOSISDBHSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000938754803 609973140 /nfs/dbraw/zinc/97/31/40/609973140.db2.gz ONKLCCOBWCOILB-HOTGVXAUSA-N 2 2 343.431 0.040 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000938754803 609973142 /nfs/dbraw/zinc/97/31/42/609973142.db2.gz ONKLCCOBWCOILB-HOTGVXAUSA-N 2 2 343.431 0.040 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC000941462829 610321343 /nfs/dbraw/zinc/32/13/43/610321343.db2.gz HJSFMAUJQHATGZ-INIZCTEOSA-N 2 2 341.459 0.297 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC000941474872 610331403 /nfs/dbraw/zinc/33/14/03/610331403.db2.gz BBRKGYIDIZCZEJ-UHFFFAOYSA-N 2 2 337.427 0.800 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)C[C@@H]2C)CC1 ZINC000945180096 610934285 /nfs/dbraw/zinc/93/42/85/610934285.db2.gz KGIUDHPYQWKXRT-YOEHRIQHSA-N 2 2 345.447 0.741 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)C[C@@H]2C)CC1 ZINC000945180096 610934288 /nfs/dbraw/zinc/93/42/88/610934288.db2.gz KGIUDHPYQWKXRT-YOEHRIQHSA-N 2 2 345.447 0.741 20 30 ECEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000834506752 611288829 /nfs/dbraw/zinc/28/88/29/611288829.db2.gz VPBKOXHUSHFFJC-NEPJUHHUSA-N 2 2 326.316 0.622 20 30 ECEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370416 611954695 /nfs/dbraw/zinc/95/46/95/611954695.db2.gz RFHCMXZMMOKECI-SJORKVTESA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370416 611954696 /nfs/dbraw/zinc/95/46/96/611954696.db2.gz RFHCMXZMMOKECI-SJORKVTESA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370416 611954697 /nfs/dbraw/zinc/95/46/97/611954697.db2.gz RFHCMXZMMOKECI-SJORKVTESA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370416 611954699 /nfs/dbraw/zinc/95/46/99/611954699.db2.gz RFHCMXZMMOKECI-SJORKVTESA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950431429 612016463 /nfs/dbraw/zinc/01/64/63/612016463.db2.gz DDYANHNYRKRGRZ-MRXNPFEDSA-N 2 2 343.431 0.015 20 30 ECEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235908 735496085 /nfs/dbraw/zinc/49/60/85/735496085.db2.gz BJXFGRLSFOKDOD-DLBZAZTESA-N 2 2 335.448 0.032 20 30 ECEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235908 735496088 /nfs/dbraw/zinc/49/60/88/735496088.db2.gz BJXFGRLSFOKDOD-DLBZAZTESA-N 2 2 335.448 0.032 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C)o1 ZINC001024987845 738462374 /nfs/dbraw/zinc/46/23/74/738462374.db2.gz WUAGRQGPYJORNF-CVEARBPZSA-N 2 2 345.447 0.946 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C)o1 ZINC001024987845 738462375 /nfs/dbraw/zinc/46/23/75/738462375.db2.gz WUAGRQGPYJORNF-CVEARBPZSA-N 2 2 345.447 0.946 20 30 ECEDLP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972430816 736180807 /nfs/dbraw/zinc/18/08/07/736180807.db2.gz KSRNJEUZFNFPQN-NUJGCVRESA-N 2 2 335.448 0.032 20 30 ECEDLP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972430816 736180809 /nfs/dbraw/zinc/18/08/09/736180809.db2.gz KSRNJEUZFNFPQN-NUJGCVRESA-N 2 2 335.448 0.032 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972430816 736180812 /nfs/dbraw/zinc/18/08/12/736180812.db2.gz KSRNJEUZFNFPQN-NUJGCVRESA-N 2 2 335.448 0.032 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972430816 736180814 /nfs/dbraw/zinc/18/08/14/736180814.db2.gz KSRNJEUZFNFPQN-NUJGCVRESA-N 2 2 335.448 0.032 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972441860 736204154 /nfs/dbraw/zinc/20/41/54/736204154.db2.gz VZKINNCWEPFELN-LPHOPBHVSA-N 2 2 342.443 0.772 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972441860 736204164 /nfs/dbraw/zinc/20/41/64/736204164.db2.gz VZKINNCWEPFELN-LPHOPBHVSA-N 2 2 342.443 0.772 20 30 ECEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565234 736268617 /nfs/dbraw/zinc/26/86/17/736268617.db2.gz SCXKOJDHTDSFEY-OTWHNJEPSA-N 2 2 341.455 0.925 20 30 ECEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565234 736268620 /nfs/dbraw/zinc/26/86/20/736268620.db2.gz SCXKOJDHTDSFEY-OTWHNJEPSA-N 2 2 341.455 0.925 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104954624 741025133 /nfs/dbraw/zinc/02/51/33/741025133.db2.gz KSRKVSUVCCGVCO-UKRRQHHQSA-N 2 2 347.463 0.637 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn4c[nH+]cc4c3)C2)nn1 ZINC001105276836 741627312 /nfs/dbraw/zinc/62/73/12/741627312.db2.gz SYOLNSNVYSLLMH-UHFFFAOYSA-N 2 2 335.371 0.346 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)nn1 ZINC001105326945 741805144 /nfs/dbraw/zinc/80/51/44/741805144.db2.gz MXFISEPPIZTJHQ-KRWDZBQOSA-N 2 2 346.479 0.895 20 30 ECEDLP C#CCN1CC[NH+](C2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC000996794754 742875169 /nfs/dbraw/zinc/87/51/69/742875169.db2.gz DBHCUCDQYWNZEQ-UHFFFAOYSA-N 2 2 343.475 0.641 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCCCCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261967885 743197337 /nfs/dbraw/zinc/19/73/37/743197337.db2.gz LXCRTOUHEAWALH-UHFFFAOYSA-N 2 2 344.525 0.947 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cncn2C)C1 ZINC001027446376 744485758 /nfs/dbraw/zinc/48/57/58/744485758.db2.gz IBCSOQGYHWQYLY-AEFFLSMTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cncn2C)C1 ZINC001027446376 744485763 /nfs/dbraw/zinc/48/57/63/744485763.db2.gz IBCSOQGYHWQYLY-AEFFLSMTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2cncn2C)C1 ZINC001027446376 744485766 /nfs/dbraw/zinc/48/57/66/744485766.db2.gz IBCSOQGYHWQYLY-AEFFLSMTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2cncn2C)C1 ZINC001027446376 744485769 /nfs/dbraw/zinc/48/57/69/744485769.db2.gz IBCSOQGYHWQYLY-AEFFLSMTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999390183 744670641 /nfs/dbraw/zinc/67/06/41/744670641.db2.gz DZXKQWFUJWKYAK-GJZGRUSLSA-N 2 2 331.420 0.556 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999390183 744670645 /nfs/dbraw/zinc/67/06/45/744670645.db2.gz DZXKQWFUJWKYAK-GJZGRUSLSA-N 2 2 331.420 0.556 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@@H]2CCCNC2=O)CC1 ZINC001000791102 745768043 /nfs/dbraw/zinc/76/80/43/745768043.db2.gz LZBCBDRZHPMAQB-SJORKVTESA-N 2 2 344.459 0.111 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+]([C@@H]2CCCNC2=O)CC1 ZINC001000791102 745768047 /nfs/dbraw/zinc/76/80/47/745768047.db2.gz LZBCBDRZHPMAQB-SJORKVTESA-N 2 2 344.459 0.111 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001000791102 745768048 /nfs/dbraw/zinc/76/80/48/745768048.db2.gz LZBCBDRZHPMAQB-SJORKVTESA-N 2 2 344.459 0.111 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC001000791102 745768051 /nfs/dbraw/zinc/76/80/51/745768051.db2.gz LZBCBDRZHPMAQB-SJORKVTESA-N 2 2 344.459 0.111 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnon2)C1 ZINC001029758224 748271192 /nfs/dbraw/zinc/27/11/92/748271192.db2.gz VRLIJODBKDXOCF-HOCLYGCPSA-N 2 2 331.420 0.448 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cnon2)C1 ZINC001029758224 748271195 /nfs/dbraw/zinc/27/11/95/748271195.db2.gz VRLIJODBKDXOCF-HOCLYGCPSA-N 2 2 331.420 0.448 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cnon2)C1 ZINC001029758224 748271202 /nfs/dbraw/zinc/27/12/02/748271202.db2.gz VRLIJODBKDXOCF-HOCLYGCPSA-N 2 2 331.420 0.448 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCc1cnn(C)c1 ZINC001027940911 749651001 /nfs/dbraw/zinc/65/10/01/749651001.db2.gz YHMDLPJWBXZRCO-ROUUACIJSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCc1cnn(C)c1 ZINC001027940911 749651002 /nfs/dbraw/zinc/65/10/02/749651002.db2.gz YHMDLPJWBXZRCO-ROUUACIJSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCc1cnn(C)c1 ZINC001027940911 749651005 /nfs/dbraw/zinc/65/10/05/749651005.db2.gz YHMDLPJWBXZRCO-ROUUACIJSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCc1cnn(C)c1 ZINC001027940911 749651007 /nfs/dbraw/zinc/65/10/07/749651007.db2.gz YHMDLPJWBXZRCO-ROUUACIJSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCc1cnn(C)c1 ZINC001027940910 749651056 /nfs/dbraw/zinc/65/10/56/749651056.db2.gz YHMDLPJWBXZRCO-MSOLQXFVSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCc1cnn(C)c1 ZINC001027940910 749651060 /nfs/dbraw/zinc/65/10/60/749651060.db2.gz YHMDLPJWBXZRCO-MSOLQXFVSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCc1cnn(C)c1 ZINC001027940910 749651061 /nfs/dbraw/zinc/65/10/61/749651061.db2.gz YHMDLPJWBXZRCO-MSOLQXFVSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCc1cnn(C)c1 ZINC001027940910 749651065 /nfs/dbraw/zinc/65/10/65/749651065.db2.gz YHMDLPJWBXZRCO-MSOLQXFVSA-N 2 2 343.475 0.641 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cn3c[nH+]cc3C)CC2)C1=O ZINC000981625032 750898121 /nfs/dbraw/zinc/89/81/21/750898121.db2.gz PZMXDBFVOBGCQY-INIZCTEOSA-N 2 2 345.447 0.513 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cn3c[nH+]cc3C)CC2)C1=O ZINC000981625032 750898127 /nfs/dbraw/zinc/89/81/27/750898127.db2.gz PZMXDBFVOBGCQY-INIZCTEOSA-N 2 2 345.447 0.513 20 30 ECEDLP C=CCC[NH2+]Cc1cn(C2CN(C(=O)CCc3c[nH+]cn3C)C2)nn1 ZINC001105367896 752465633 /nfs/dbraw/zinc/46/56/33/752465633.db2.gz HNEJRSUPGPUDSB-UHFFFAOYSA-N 2 2 343.435 0.693 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098645421 752698883 /nfs/dbraw/zinc/69/88/83/752698883.db2.gz LWSXAFQHBOXXDZ-HOTGVXAUSA-N 2 2 330.436 0.259 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001098645421 752698885 /nfs/dbraw/zinc/69/88/85/752698885.db2.gz LWSXAFQHBOXXDZ-HOTGVXAUSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001098681638 753638992 /nfs/dbraw/zinc/63/89/92/753638992.db2.gz VSMJGUJGHDQEBI-HNNXBMFYSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001098681639 753640116 /nfs/dbraw/zinc/64/01/16/753640116.db2.gz VSMJGUJGHDQEBI-OAHLLOKOSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001098682993 753692621 /nfs/dbraw/zinc/69/26/21/753692621.db2.gz MNIVXYHERIHQTI-IRXDYDNUSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098682993 753692627 /nfs/dbraw/zinc/69/26/27/753692627.db2.gz MNIVXYHERIHQTI-IRXDYDNUSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083536006 755976142 /nfs/dbraw/zinc/97/61/42/755976142.db2.gz YXYWUSIVBATKAW-SQNIBIBYSA-N 2 2 349.475 0.062 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@@H]1O ZINC001083536006 755976146 /nfs/dbraw/zinc/97/61/46/755976146.db2.gz YXYWUSIVBATKAW-SQNIBIBYSA-N 2 2 349.475 0.062 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001083536006 755976148 /nfs/dbraw/zinc/97/61/48/755976148.db2.gz YXYWUSIVBATKAW-SQNIBIBYSA-N 2 2 349.475 0.062 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@@H]1O ZINC001083536006 755976152 /nfs/dbraw/zinc/97/61/52/755976152.db2.gz YXYWUSIVBATKAW-SQNIBIBYSA-N 2 2 349.475 0.062 20 30 ECEDLP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CCCC)C[C@H]2C1 ZINC001048960814 757524951 /nfs/dbraw/zinc/52/49/51/757524951.db2.gz NMAWQDOGXUFQRT-KSZLIROESA-N 2 2 333.476 0.901 20 30 ECEDLP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001048960814 757524958 /nfs/dbraw/zinc/52/49/58/757524958.db2.gz NMAWQDOGXUFQRT-KSZLIROESA-N 2 2 333.476 0.901 20 30 ECEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3CCCC)C[C@H]2C1 ZINC001048960814 757524963 /nfs/dbraw/zinc/52/49/63/757524963.db2.gz NMAWQDOGXUFQRT-KSZLIROESA-N 2 2 333.476 0.901 20 30 ECEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3CCCC)C[C@H]2C1 ZINC001048960814 757524970 /nfs/dbraw/zinc/52/49/70/757524970.db2.gz NMAWQDOGXUFQRT-KSZLIROESA-N 2 2 333.476 0.901 20 30 ECEDLP C=C(C)CC[NH+]1CC(n2cc(CNC(=O)Cn3cc[nH+]c3)nn2)C1 ZINC001107242033 757999337 /nfs/dbraw/zinc/99/93/37/757999337.db2.gz NGYYCDQKGIVPOD-UHFFFAOYSA-N 2 2 329.408 0.614 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)nn2)C1 ZINC001107238084 758029098 /nfs/dbraw/zinc/02/90/98/758029098.db2.gz GJPMHZSJGHJRFU-GJZGRUSLSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C)s2)C1 ZINC001022221077 758442782 /nfs/dbraw/zinc/44/27/82/758442782.db2.gz WTENAQHSLIIXKK-MJBXVCDLSA-N 2 2 333.461 0.681 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C)s2)C1 ZINC001022221077 758442785 /nfs/dbraw/zinc/44/27/85/758442785.db2.gz WTENAQHSLIIXKK-MJBXVCDLSA-N 2 2 333.461 0.681 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cncn3C)C2)CC1 ZINC001032205038 759609919 /nfs/dbraw/zinc/60/99/19/759609919.db2.gz MQEATKIDAKIAHN-UHFFFAOYSA-N 2 2 329.448 0.313 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000995927952 760791799 /nfs/dbraw/zinc/79/17/99/760791799.db2.gz ZOBKQUHGRJFSHB-GJZGRUSLSA-N 2 2 347.488 0.962 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000995927952 760791803 /nfs/dbraw/zinc/79/18/03/760791803.db2.gz ZOBKQUHGRJFSHB-GJZGRUSLSA-N 2 2 347.488 0.962 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1=O ZINC000940356345 763281849 /nfs/dbraw/zinc/28/18/49/763281849.db2.gz OBFHCSFBULTNGF-HNNXBMFYSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@]2(C)CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001046905328 763354996 /nfs/dbraw/zinc/35/49/96/763354996.db2.gz CXKIJISDKFCGKC-MAUKXSAKSA-N 2 2 345.447 0.498 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106923038 763355852 /nfs/dbraw/zinc/35/58/52/763355852.db2.gz YVYCUUUZXPUDDH-BPLDGKMQSA-N 2 2 347.463 0.635 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001052035600 763643725 /nfs/dbraw/zinc/64/37/25/763643725.db2.gz FFTTYURPOKMBKV-MOPGFXCFSA-N 2 2 346.519 0.816 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001052035600 763643730 /nfs/dbraw/zinc/64/37/30/763643730.db2.gz FFTTYURPOKMBKV-MOPGFXCFSA-N 2 2 346.519 0.816 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036889 763652174 /nfs/dbraw/zinc/65/21/74/763652174.db2.gz WXHFZOBOOCOLIO-ZWKOTPCHSA-N 2 2 332.492 0.568 20 30 ECEDLP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001052052436 763715396 /nfs/dbraw/zinc/71/53/96/763715396.db2.gz MHEXTFLDTXLOBW-QGZVFWFLSA-N 2 2 329.448 0.433 20 30 ECEDLP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)[NH+]1CCCC1 ZINC001052119634 763937026 /nfs/dbraw/zinc/93/70/26/763937026.db2.gz SZCJRKUCEYGUML-MSOLQXFVSA-N 2 2 347.507 0.849 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106068744 764296588 /nfs/dbraw/zinc/29/65/88/764296588.db2.gz OAVCOIVAJGNSRQ-QLFBSQMISA-N 2 2 345.447 0.164 20 30 ECEDLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083780638 764545471 /nfs/dbraw/zinc/54/54/71/764545471.db2.gz FKUHBSPSGDMEDI-OLMNPRSZSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083780638 764545476 /nfs/dbraw/zinc/54/54/76/764545476.db2.gz FKUHBSPSGDMEDI-OLMNPRSZSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083780638 764545479 /nfs/dbraw/zinc/54/54/79/764545479.db2.gz FKUHBSPSGDMEDI-OLMNPRSZSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083780638 764545483 /nfs/dbraw/zinc/54/54/83/764545483.db2.gz FKUHBSPSGDMEDI-OLMNPRSZSA-N 2 2 342.443 0.561 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)nn1 ZINC001098773377 764871126 /nfs/dbraw/zinc/87/11/26/764871126.db2.gz AXRHDHXBVPWSGY-INIZCTEOSA-N 2 2 332.452 0.506 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001015713349 765217871 /nfs/dbraw/zinc/21/78/71/765217871.db2.gz NUVKLRNMQLUGOI-CVEARBPZSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001015713349 765217876 /nfs/dbraw/zinc/21/78/76/765217876.db2.gz NUVKLRNMQLUGOI-CVEARBPZSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001015713349 765217882 /nfs/dbraw/zinc/21/78/82/765217882.db2.gz NUVKLRNMQLUGOI-CVEARBPZSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001015713349 765217889 /nfs/dbraw/zinc/21/78/89/765217889.db2.gz NUVKLRNMQLUGOI-CVEARBPZSA-N 2 2 348.491 0.696 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(C[NH+](CC3CCC3)C2)C1 ZINC001053291216 765920083 /nfs/dbraw/zinc/92/00/83/765920083.db2.gz DKDXTGNXZLDYPR-KRWDZBQOSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(C[NH+](CC3CCC3)C2)C1 ZINC001053291216 765920086 /nfs/dbraw/zinc/92/00/86/765920086.db2.gz DKDXTGNXZLDYPR-KRWDZBQOSA-N 2 2 331.460 0.797 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)O2 ZINC001053617739 766443211 /nfs/dbraw/zinc/44/32/11/766443211.db2.gz GDENQPCPKXNQJH-OWCLPIDISA-N 2 2 337.464 0.631 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)O2 ZINC001053617739 766443215 /nfs/dbraw/zinc/44/32/15/766443215.db2.gz GDENQPCPKXNQJH-OWCLPIDISA-N 2 2 337.464 0.631 20 30 ECEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039295 766742335 /nfs/dbraw/zinc/74/23/35/766742335.db2.gz OYQVUEIRQXRYBP-SJORKVTESA-N 2 2 341.459 0.297 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039295 766742343 /nfs/dbraw/zinc/74/23/43/766742343.db2.gz OYQVUEIRQXRYBP-SJORKVTESA-N 2 2 341.459 0.297 20 30 ECEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039292 766742469 /nfs/dbraw/zinc/74/24/69/766742469.db2.gz OYQVUEIRQXRYBP-IRXDYDNUSA-N 2 2 341.459 0.297 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039292 766742473 /nfs/dbraw/zinc/74/24/73/766742473.db2.gz OYQVUEIRQXRYBP-IRXDYDNUSA-N 2 2 341.459 0.297 20 30 ECEDLP N#CCN1CC[C@H]([NH+]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001046039528 766743605 /nfs/dbraw/zinc/74/36/05/766743605.db2.gz QNMYAGKMLGIHQZ-KRWDZBQOSA-N 2 2 345.491 0.604 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046080447 766916869 /nfs/dbraw/zinc/91/68/69/766916869.db2.gz HDESVCJPTZYZBX-KRWDZBQOSA-N 2 2 331.464 0.757 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046080447 766916871 /nfs/dbraw/zinc/91/68/71/766916871.db2.gz HDESVCJPTZYZBX-KRWDZBQOSA-N 2 2 331.464 0.757 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053903901 767309295 /nfs/dbraw/zinc/30/92/95/767309295.db2.gz ALPBWLDJICSAPL-CVEARBPZSA-N 2 2 337.464 0.631 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053903901 767309301 /nfs/dbraw/zinc/30/93/01/767309301.db2.gz ALPBWLDJICSAPL-CVEARBPZSA-N 2 2 337.464 0.631 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)CCC)CC1 ZINC001055594062 769207938 /nfs/dbraw/zinc/20/79/38/769207938.db2.gz FNXRLFGCPGYIHV-KRWDZBQOSA-N 2 2 348.491 0.581 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)CCC)CC1 ZINC001055594062 769207948 /nfs/dbraw/zinc/20/79/48/769207948.db2.gz FNXRLFGCPGYIHV-KRWDZBQOSA-N 2 2 348.491 0.581 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001045073944 774936556 /nfs/dbraw/zinc/93/65/56/774936556.db2.gz UCQWORFFALDDMY-IRXDYDNUSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ccn(C)n1 ZINC001045073944 774936558 /nfs/dbraw/zinc/93/65/58/774936558.db2.gz UCQWORFFALDDMY-IRXDYDNUSA-N 2 2 329.448 0.598 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027199 790375071 /nfs/dbraw/zinc/37/50/71/790375071.db2.gz RLEGVHKEJAGLGB-XHSDSOJGSA-N 2 2 330.436 0.127 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027199 790375084 /nfs/dbraw/zinc/37/50/84/790375084.db2.gz RLEGVHKEJAGLGB-XHSDSOJGSA-N 2 2 330.436 0.127 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027199 790375095 /nfs/dbraw/zinc/37/50/95/790375095.db2.gz RLEGVHKEJAGLGB-XHSDSOJGSA-N 2 2 330.436 0.127 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027199 790375106 /nfs/dbraw/zinc/37/51/06/790375106.db2.gz RLEGVHKEJAGLGB-XHSDSOJGSA-N 2 2 330.436 0.127 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1n1ccnn1 ZINC001070216631 783676516 /nfs/dbraw/zinc/67/65/16/783676516.db2.gz YXEBPOOCEFJRPV-CABCVRRESA-N 2 2 343.435 0.746 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001070282505 783787457 /nfs/dbraw/zinc/78/74/57/783787457.db2.gz JQWWLAQSCRNMET-KQTLUZQSSA-N 2 2 341.419 0.343 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001070723934 784598843 /nfs/dbraw/zinc/59/88/43/784598843.db2.gz ZBZVDWBXGSGUGR-HUUCEWRRSA-N 2 2 328.420 0.777 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073748558 787122059 /nfs/dbraw/zinc/12/20/59/787122059.db2.gz GYQGQHLHMNBPHG-SJLPKXTDSA-N 2 2 344.459 0.984 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073748558 787122064 /nfs/dbraw/zinc/12/20/64/787122064.db2.gz GYQGQHLHMNBPHG-SJLPKXTDSA-N 2 2 344.459 0.984 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001073772584 787174405 /nfs/dbraw/zinc/17/44/05/787174405.db2.gz SINIUTBTBKVMLW-ARFHVFGLSA-N 2 2 330.432 0.754 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001073772584 787174407 /nfs/dbraw/zinc/17/44/07/787174407.db2.gz SINIUTBTBKVMLW-ARFHVFGLSA-N 2 2 330.432 0.754 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001073772815 787175467 /nfs/dbraw/zinc/17/54/67/787175467.db2.gz ZFSWIBHMRCZOAT-BZUAXINKSA-N 2 2 330.432 0.754 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001073772815 787175472 /nfs/dbraw/zinc/17/54/72/787175472.db2.gz ZFSWIBHMRCZOAT-BZUAXINKSA-N 2 2 330.432 0.754 20 30 ECEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)c2C1 ZINC001069883234 790149451 /nfs/dbraw/zinc/14/94/51/790149451.db2.gz XECQVSOBFGGCNU-QGZVFWFLSA-N 2 2 347.463 0.612 20 30 ECEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)c2C1 ZINC001069883234 790149453 /nfs/dbraw/zinc/14/94/53/790149453.db2.gz XECQVSOBFGGCNU-QGZVFWFLSA-N 2 2 347.463 0.612 20 30 ECEDLP C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3C[NH+](CC)CCO3)c2C1 ZINC001069883234 790149458 /nfs/dbraw/zinc/14/94/58/790149458.db2.gz XECQVSOBFGGCNU-QGZVFWFLSA-N 2 2 347.463 0.612 20 30 ECEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3C[NH+](CC)CCO3)c2C1 ZINC001069883234 790149461 /nfs/dbraw/zinc/14/94/61/790149461.db2.gz XECQVSOBFGGCNU-QGZVFWFLSA-N 2 2 347.463 0.612 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC)C[C@@H]1n1ccnn1 ZINC001069949280 790229389 /nfs/dbraw/zinc/22/93/89/790229389.db2.gz OMVOMODDONIQPK-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC)C[C@@H]1n1ccnn1 ZINC001069949280 790229392 /nfs/dbraw/zinc/22/93/92/790229392.db2.gz OMVOMODDONIQPK-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC)C[C@@H]1n1ccnn1 ZINC001069949280 790229394 /nfs/dbraw/zinc/22/93/94/790229394.db2.gz OMVOMODDONIQPK-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC)C[C@@H]1n1ccnn1 ZINC001069949280 790229397 /nfs/dbraw/zinc/22/93/97/790229397.db2.gz OMVOMODDONIQPK-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267559785 837771232 /nfs/dbraw/zinc/77/12/32/837771232.db2.gz CLQNXZRXZNTUOR-OAHLLOKOSA-N 2 2 348.447 0.828 20 30 ECEDLP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267559785 837771236 /nfs/dbraw/zinc/77/12/36/837771236.db2.gz CLQNXZRXZNTUOR-OAHLLOKOSA-N 2 2 348.447 0.828 20 30 ECEDLP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1=O ZINC001266280625 835608605 /nfs/dbraw/zinc/60/86/05/835608605.db2.gz MEKJDARGKLDNQN-JKSUJKDBSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1=O ZINC001266280625 835608608 /nfs/dbraw/zinc/60/86/08/835608608.db2.gz MEKJDARGKLDNQN-JKSUJKDBSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1=O ZINC001266280625 835608613 /nfs/dbraw/zinc/60/86/13/835608613.db2.gz MEKJDARGKLDNQN-JKSUJKDBSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1=O ZINC001266280625 835608616 /nfs/dbraw/zinc/60/86/16/835608616.db2.gz MEKJDARGKLDNQN-JKSUJKDBSA-N 2 2 336.480 0.696 20 30 ECEDLP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001266415820 835821171 /nfs/dbraw/zinc/82/11/71/835821171.db2.gz ZHHHIAMQQVHDPA-DOTOQJQBSA-N 2 2 330.432 0.580 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266602103 836034905 /nfs/dbraw/zinc/03/49/05/836034905.db2.gz VIQMAVWIQHVGSQ-QEJZJMRPSA-N 2 2 344.415 0.007 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266790119 836305944 /nfs/dbraw/zinc/30/59/44/836305944.db2.gz CGNUPNHDRSFUFO-LSDHHAIUSA-N 2 2 345.447 0.308 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266790119 836305957 /nfs/dbraw/zinc/30/59/57/836305957.db2.gz CGNUPNHDRSFUFO-LSDHHAIUSA-N 2 2 345.447 0.308 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)COC ZINC001266844762 836371926 /nfs/dbraw/zinc/37/19/26/836371926.db2.gz PLMBKWXEABBARJ-ZACQAIPSSA-N 2 2 337.464 0.062 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)COC ZINC001266844762 836371940 /nfs/dbraw/zinc/37/19/40/836371940.db2.gz PLMBKWXEABBARJ-ZACQAIPSSA-N 2 2 337.464 0.062 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1C[C@@H](O)COC ZINC001266844762 836371954 /nfs/dbraw/zinc/37/19/54/836371954.db2.gz PLMBKWXEABBARJ-ZACQAIPSSA-N 2 2 337.464 0.062 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1C[C@@H](O)COC ZINC001266844762 836371969 /nfs/dbraw/zinc/37/19/69/836371969.db2.gz PLMBKWXEABBARJ-ZACQAIPSSA-N 2 2 337.464 0.062 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001266860105 836399699 /nfs/dbraw/zinc/39/96/99/836399699.db2.gz XIPXABKIZXXZPX-HZPDHXFCSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001266860105 836399714 /nfs/dbraw/zinc/39/97/14/836399714.db2.gz XIPXABKIZXXZPX-HZPDHXFCSA-N 2 2 345.447 0.641 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001266868298 836413031 /nfs/dbraw/zinc/41/30/31/836413031.db2.gz DZAWZLKKQIWPEB-HNNXBMFYSA-N 2 2 331.420 0.062 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001266868298 836413035 /nfs/dbraw/zinc/41/30/35/836413035.db2.gz DZAWZLKKQIWPEB-HNNXBMFYSA-N 2 2 331.420 0.062 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001266897728 836448898 /nfs/dbraw/zinc/44/88/98/836448898.db2.gz PQRIBNNMFSKUJG-GJZGRUSLSA-N 2 2 333.436 0.402 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001266897728 836448905 /nfs/dbraw/zinc/44/89/05/836448905.db2.gz PQRIBNNMFSKUJG-GJZGRUSLSA-N 2 2 333.436 0.402 20 30 ECEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)CCC[NH+]1CCCCC1 ZINC001267617262 838038854 /nfs/dbraw/zinc/03/88/54/838038854.db2.gz BGTJMCVRFDZUJO-UHFFFAOYSA-N 2 2 335.496 0.852 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267689348 838258745 /nfs/dbraw/zinc/25/87/45/838258745.db2.gz DFXRQWVIYPAAKV-KGLIPLIRSA-N 2 2 333.436 0.423 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267689348 838258751 /nfs/dbraw/zinc/25/87/51/838258751.db2.gz DFXRQWVIYPAAKV-KGLIPLIRSA-N 2 2 333.436 0.423 20 30 ECEDLP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001267933641 838817387 /nfs/dbraw/zinc/81/73/87/838817387.db2.gz KXTMZPNUGRCXDE-HDJSIYSDSA-N 2 2 333.436 0.282 20 30 ECEDLP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000329384613 254605925 /nfs/dbraw/zinc/60/59/25/254605925.db2.gz RSDOQMNPMNQBRS-CVEARBPZSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000329384613 254605927 /nfs/dbraw/zinc/60/59/27/254605927.db2.gz RSDOQMNPMNQBRS-CVEARBPZSA-N 2 2 341.500 0.093 20 30 ECEDLP Cn1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C#N ZINC000527240356 268132999 /nfs/dbraw/zinc/13/29/99/268132999.db2.gz YUISZRDPKDBKAA-UHFFFAOYSA-N 2 2 330.436 0.580 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119682342 436668586 /nfs/dbraw/zinc/66/85/86/436668586.db2.gz MBSLUIJASHTZJQ-HRBLRVMOSA-N 2 2 347.507 0.990 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119682342 436668587 /nfs/dbraw/zinc/66/85/87/436668587.db2.gz MBSLUIJASHTZJQ-HRBLRVMOSA-N 2 2 347.507 0.990 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119682342 436668591 /nfs/dbraw/zinc/66/85/91/436668591.db2.gz MBSLUIJASHTZJQ-HRBLRVMOSA-N 2 2 347.507 0.990 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119682342 436668593 /nfs/dbraw/zinc/66/85/93/436668593.db2.gz MBSLUIJASHTZJQ-HRBLRVMOSA-N 2 2 347.507 0.990 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261939871 436898727 /nfs/dbraw/zinc/89/87/27/436898727.db2.gz DHGSVULMPCDXPJ-HUUCEWRRSA-N 2 2 333.436 0.441 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261939871 436898733 /nfs/dbraw/zinc/89/87/33/436898733.db2.gz DHGSVULMPCDXPJ-HUUCEWRRSA-N 2 2 333.436 0.441 20 30 ECEDLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000298015144 437023017 /nfs/dbraw/zinc/02/30/17/437023017.db2.gz ZKEMRPVVCDPKSF-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000296480950 436993540 /nfs/dbraw/zinc/99/35/40/436993540.db2.gz ADFYFCXODOXSRO-UHFFFAOYSA-N 2 2 329.448 0.864 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000296480950 436993544 /nfs/dbraw/zinc/99/35/44/436993544.db2.gz ADFYFCXODOXSRO-UHFFFAOYSA-N 2 2 329.448 0.864 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000297443398 437007729 /nfs/dbraw/zinc/00/77/29/437007729.db2.gz JGRJMFTVWCKNHD-UHFFFAOYSA-N 2 2 330.436 0.572 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000297443398 437007733 /nfs/dbraw/zinc/00/77/33/437007733.db2.gz JGRJMFTVWCKNHD-UHFFFAOYSA-N 2 2 330.436 0.572 20 30 ECEDLP C#CCNc1nc(NC[C@H](C)[NH+](C)C)nc(NC[C@H](C)[NH+](C)C)[nH+]1 ZINC000288328659 437310362 /nfs/dbraw/zinc/31/03/62/437310362.db2.gz IFEUCYNEZDBOOC-STQMWFEESA-N 3 2 334.472 0.641 20 30 ECEDLP C[N@H+](CC(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000329083173 437314707 /nfs/dbraw/zinc/31/47/07/437314707.db2.gz SLPJEMSCOYQHHV-ZDUSSCGKSA-N 2 2 328.482 0.544 20 30 ECEDLP C[N@@H+](CC(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000329083173 437314712 /nfs/dbraw/zinc/31/47/12/437314712.db2.gz SLPJEMSCOYQHHV-ZDUSSCGKSA-N 2 2 328.482 0.544 20 30 ECEDLP C=C(C)C[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000181281424 437315648 /nfs/dbraw/zinc/31/56/48/437315648.db2.gz RUTGSMJNDVXXNG-UHFFFAOYSA-N 2 2 343.435 0.520 20 30 ECEDLP C=C(C)C[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000181281424 437315650 /nfs/dbraw/zinc/31/56/50/437315650.db2.gz RUTGSMJNDVXXNG-UHFFFAOYSA-N 2 2 343.435 0.520 20 30 ECEDLP CN(C)C(=O)CC[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329757763 437410071 /nfs/dbraw/zinc/41/00/71/437410071.db2.gz ZOTKSVSNCDPTRF-ZDUSSCGKSA-N 2 2 348.451 0.277 20 30 ECEDLP CN(C)C(=O)CC[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329757763 437410076 /nfs/dbraw/zinc/41/00/76/437410076.db2.gz ZOTKSVSNCDPTRF-ZDUSSCGKSA-N 2 2 348.451 0.277 20 30 ECEDLP C[C@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)C[NH+]1CCN(C)CC1 ZINC000329892923 437426949 /nfs/dbraw/zinc/42/69/49/437426949.db2.gz AMYDQSXAYAYDSF-CVEARBPZSA-N 2 2 348.495 0.833 20 30 ECEDLP C[C@H](C[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1)C[NH+]1CCN(C)CC1 ZINC000329892923 437426953 /nfs/dbraw/zinc/42/69/53/437426953.db2.gz AMYDQSXAYAYDSF-CVEARBPZSA-N 2 2 348.495 0.833 20 30 ECEDLP C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1[NH+]1CCOCC1 ZINC000329634535 437395489 /nfs/dbraw/zinc/39/54/89/437395489.db2.gz TZGIXZJCJISBRW-XJKCOSOUSA-N 2 2 333.436 0.834 20 30 ECEDLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000330266721 437478399 /nfs/dbraw/zinc/47/83/99/437478399.db2.gz QBENQSZJFWJIAN-HOCLYGCPSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000330266721 437478401 /nfs/dbraw/zinc/47/84/01/437478401.db2.gz QBENQSZJFWJIAN-HOCLYGCPSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000330266721 437478403 /nfs/dbraw/zinc/47/84/03/437478403.db2.gz QBENQSZJFWJIAN-HOCLYGCPSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000330266721 437478405 /nfs/dbraw/zinc/47/84/05/437478405.db2.gz QBENQSZJFWJIAN-HOCLYGCPSA-N 2 2 340.468 0.416 20 30 ECEDLP Cn1cc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)cc1C#N ZINC000190746269 437635697 /nfs/dbraw/zinc/63/56/97/437635697.db2.gz QXGVDHGIMCFLAW-UHFFFAOYSA-N 2 2 339.447 0.989 20 30 ECEDLP C[N@@H+]1CCN(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)C(=O)C1 ZINC000374730819 438227083 /nfs/dbraw/zinc/22/70/83/438227083.db2.gz JAOODSFECZVNRA-SFHVURJKSA-N 2 2 347.463 0.033 20 30 ECEDLP C[N@H+]1CCN(C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)C(=O)C1 ZINC000374730819 438227088 /nfs/dbraw/zinc/22/70/88/438227088.db2.gz JAOODSFECZVNRA-SFHVURJKSA-N 2 2 347.463 0.033 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)CC1 ZINC000370037121 438542666 /nfs/dbraw/zinc/54/26/66/438542666.db2.gz PJYSQVSTONJDEC-QGZVFWFLSA-N 2 2 346.475 0.145 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000591726547 439078918 /nfs/dbraw/zinc/07/89/18/439078918.db2.gz KYOJRHLDNDDJEQ-HUUCEWRRSA-N 2 2 334.445 0.943 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000591726547 439078922 /nfs/dbraw/zinc/07/89/22/439078922.db2.gz KYOJRHLDNDDJEQ-HUUCEWRRSA-N 2 2 334.445 0.943 20 30 ECEDLP C[NH+](C)CCN1CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)CC1=O ZINC000593051515 439335542 /nfs/dbraw/zinc/33/55/42/439335542.db2.gz KUSPMRAADGIVBS-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP C[NH+](C)CCN1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1=O ZINC000593051515 439335548 /nfs/dbraw/zinc/33/55/48/439335548.db2.gz KUSPMRAADGIVBS-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000490842133 439301995 /nfs/dbraw/zinc/30/19/95/439301995.db2.gz ZBYCAKGSBOOGFR-QGZVFWFLSA-N 2 2 346.475 0.098 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000490842133 439302000 /nfs/dbraw/zinc/30/20/00/439302000.db2.gz ZBYCAKGSBOOGFR-QGZVFWFLSA-N 2 2 346.475 0.098 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CON=C(N)C[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000491210524 439349311 /nfs/dbraw/zinc/34/93/11/439349311.db2.gz VNRKPWNVLQMNLI-HOTGVXAUSA-N 2 2 349.479 0.525 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000491617499 439412920 /nfs/dbraw/zinc/41/29/20/439412920.db2.gz CSQKYEIHIXVYJZ-INIZCTEOSA-N 2 2 348.491 0.377 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)CC1 ZINC000491617499 439412924 /nfs/dbraw/zinc/41/29/24/439412924.db2.gz CSQKYEIHIXVYJZ-INIZCTEOSA-N 2 2 348.491 0.377 20 30 ECEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)C2)CC1 ZINC000530335880 439497462 /nfs/dbraw/zinc/49/74/62/439497462.db2.gz DPLQBSXTDAVUIK-HOTGVXAUSA-N 2 2 333.480 0.649 20 30 ECEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)C2)CC1 ZINC000530335880 439497466 /nfs/dbraw/zinc/49/74/66/439497466.db2.gz DPLQBSXTDAVUIK-HOTGVXAUSA-N 2 2 333.480 0.649 20 30 ECEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000594440961 439560084 /nfs/dbraw/zinc/56/00/84/439560084.db2.gz KDNJEFWEGDWJQS-MRXNPFEDSA-N 2 2 349.479 0.554 20 30 ECEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000594440961 439560087 /nfs/dbraw/zinc/56/00/87/439560087.db2.gz KDNJEFWEGDWJQS-MRXNPFEDSA-N 2 2 349.479 0.554 20 30 ECEDLP C[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)N1CC[NH+](C)CC1 ZINC000610246621 439603055 /nfs/dbraw/zinc/60/30/55/439603055.db2.gz JEIQEOUBLXFTPP-UHFFFAOYSA-N 2 2 349.460 0.654 20 30 ECEDLP C[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)N1CC[NH+](C)CC1 ZINC000610246621 439603058 /nfs/dbraw/zinc/60/30/58/439603058.db2.gz JEIQEOUBLXFTPP-UHFFFAOYSA-N 2 2 349.460 0.654 20 30 ECEDLP Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000595126389 439657919 /nfs/dbraw/zinc/65/79/19/439657919.db2.gz VXJCSMPXQUOZMK-UHFFFAOYSA-N 2 2 345.447 0.805 20 30 ECEDLP Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000595126389 439657922 /nfs/dbraw/zinc/65/79/22/439657922.db2.gz VXJCSMPXQUOZMK-UHFFFAOYSA-N 2 2 345.447 0.805 20 30 ECEDLP C=CC[C@@]1(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)CCC[NH2+]1 ZINC000662753339 439874504 /nfs/dbraw/zinc/87/45/04/439874504.db2.gz YOSXHABGYVYRGT-APWZRJJASA-N 2 2 348.491 0.840 20 30 ECEDLP CC[NH+]1CCC(NC(=O)CN2CC[NH+](Cc3cnn(C)c3)CC2)CC1 ZINC000329143594 546015389 /nfs/dbraw/zinc/01/53/89/546015389.db2.gz MFONHXHRCQDGLG-UHFFFAOYSA-N 2 2 348.495 0.979 20 30 ECEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(Cc3cnn(C)c3)CC2)CC1 ZINC000329143594 546015392 /nfs/dbraw/zinc/01/53/92/546015392.db2.gz MFONHXHRCQDGLG-UHFFFAOYSA-N 2 2 348.495 0.979 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000746257967 579834434 /nfs/dbraw/zinc/83/44/34/579834434.db2.gz IQKMBGDTLZEMNQ-IBGZPJMESA-N 2 2 327.428 0.401 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000746257967 579834435 /nfs/dbraw/zinc/83/44/35/579834435.db2.gz IQKMBGDTLZEMNQ-IBGZPJMESA-N 2 2 327.428 0.401 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000836317868 588929709 /nfs/dbraw/zinc/92/97/09/588929709.db2.gz IJEWPHMGIYCDJU-MRXNPFEDSA-N 3 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000836317868 588929710 /nfs/dbraw/zinc/92/97/10/588929710.db2.gz IJEWPHMGIYCDJU-MRXNPFEDSA-N 3 2 335.496 0.409 20 30 ECEDLP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000836317868 588929712 /nfs/dbraw/zinc/92/97/12/588929712.db2.gz IJEWPHMGIYCDJU-MRXNPFEDSA-N 3 2 335.496 0.409 20 30 ECEDLP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000836317868 588929713 /nfs/dbraw/zinc/92/97/13/588929713.db2.gz IJEWPHMGIYCDJU-MRXNPFEDSA-N 3 2 335.496 0.409 20 30 ECEDLP C#CCNS(=O)(=O)N1CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000895919706 586213159 /nfs/dbraw/zinc/21/31/59/586213159.db2.gz BWFAXFZWDXEINH-UHFFFAOYSA-N 2 2 336.461 0.408 20 30 ECEDLP CN1CC(=O)N(CCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)C1=O ZINC000902717164 586754951 /nfs/dbraw/zinc/75/49/51/586754951.db2.gz LBOBZPVEQHCCTM-UHFFFAOYSA-N 2 2 333.392 0.279 20 30 ECEDLP CC(C)(CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000867946956 589864431 /nfs/dbraw/zinc/86/44/31/589864431.db2.gz WUSQHVHZNCWULA-QGZVFWFLSA-N 2 2 342.443 0.972 20 30 ECEDLP C=CCS(=O)(=O)CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872206304 590104363 /nfs/dbraw/zinc/10/43/63/590104363.db2.gz QSNSECJLBLPZDH-KRWDZBQOSA-N 2 2 338.473 0.814 20 30 ECEDLP C=CCS(=O)(=O)CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872206304 590104366 /nfs/dbraw/zinc/10/43/66/590104366.db2.gz QSNSECJLBLPZDH-KRWDZBQOSA-N 2 2 338.473 0.814 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591617 590327061 /nfs/dbraw/zinc/32/70/61/590327061.db2.gz QKAQPBRBHRCOPD-CQSZACIVSA-N 2 2 337.468 0.099 20 30 ECEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N(CC[NH+]1CCOCC1)CC1CC1)C2 ZINC000884413208 590823224 /nfs/dbraw/zinc/82/32/24/590823224.db2.gz MTHFRUZWVSLTHR-TVRKMHQQSA-N 2 2 346.475 0.697 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000884446110 590829829 /nfs/dbraw/zinc/82/98/29/590829829.db2.gz HJWMCAXNKTYBAS-CABCVRRESA-N 2 2 339.436 0.050 20 30 ECEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235190 735469204 /nfs/dbraw/zinc/46/92/04/735469204.db2.gz RAIYPJCFALHCTE-DLBZAZTESA-N 2 2 339.399 0.979 20 30 ECEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235190 735469206 /nfs/dbraw/zinc/46/92/06/735469206.db2.gz RAIYPJCFALHCTE-DLBZAZTESA-N 2 2 339.399 0.979 20 30 ECEDLP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000969439539 731887071 /nfs/dbraw/zinc/88/70/71/731887071.db2.gz BJOQMRSFHCJAAY-KDOFPFPSSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000969439539 731887078 /nfs/dbraw/zinc/88/70/78/731887078.db2.gz BJOQMRSFHCJAAY-KDOFPFPSSA-N 2 2 342.443 0.825 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000969865462 732461769 /nfs/dbraw/zinc/46/17/69/732461769.db2.gz ORCIBEGBYPWTRM-PBHICJAKSA-N 2 2 346.475 0.141 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000969865462 732461771 /nfs/dbraw/zinc/46/17/71/732461771.db2.gz ORCIBEGBYPWTRM-PBHICJAKSA-N 2 2 346.475 0.141 20 30 ECEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083193908 732637963 /nfs/dbraw/zinc/63/79/63/732637963.db2.gz MXTSZSWIPKUZMF-BHYGNILZSA-N 2 2 330.432 0.852 20 30 ECEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083193908 732637964 /nfs/dbraw/zinc/63/79/64/732637964.db2.gz MXTSZSWIPKUZMF-BHYGNILZSA-N 2 2 330.432 0.852 20 30 ECEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001209420588 732894560 /nfs/dbraw/zinc/89/45/60/732894560.db2.gz VQVLKZHRMGHPCU-ZBFHGGJFSA-N 2 2 333.436 0.614 20 30 ECEDLP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001209420588 732894562 /nfs/dbraw/zinc/89/45/62/732894562.db2.gz VQVLKZHRMGHPCU-ZBFHGGJFSA-N 2 2 333.436 0.614 20 30 ECEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000970215344 733207401 /nfs/dbraw/zinc/20/74/01/733207401.db2.gz XWULOAWTKKGCFI-MAUKXSAKSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000970215344 733207405 /nfs/dbraw/zinc/20/74/05/733207405.db2.gz XWULOAWTKKGCFI-MAUKXSAKSA-N 2 2 333.476 0.947 20 30 ECEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349744 733970240 /nfs/dbraw/zinc/97/02/40/733970240.db2.gz FJJRZSWCFDEKQV-AWEZNQCLSA-N 2 2 335.452 0.861 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)C[N@H+](CC#CC)CCO3)CC1 ZINC000972689769 737388615 /nfs/dbraw/zinc/38/86/15/737388615.db2.gz ZPVAJVPKRHQLNP-FQEVSTJZSA-N 2 2 343.471 0.658 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)C[N@@H+](CC#CC)CCO3)CC1 ZINC000972689769 737388620 /nfs/dbraw/zinc/38/86/20/737388620.db2.gz ZPVAJVPKRHQLNP-FQEVSTJZSA-N 2 2 343.471 0.658 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001024022346 737627088 /nfs/dbraw/zinc/62/70/88/737627088.db2.gz UZYOXOXBUXGTHC-HOCLYGCPSA-N 2 2 331.420 0.495 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnon2)C1 ZINC001024022346 737627094 /nfs/dbraw/zinc/62/70/94/737627094.db2.gz UZYOXOXBUXGTHC-HOCLYGCPSA-N 2 2 331.420 0.495 20 30 ECEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001020421324 751577373 /nfs/dbraw/zinc/57/73/73/751577373.db2.gz LXOVSRNHSAPAJD-VQHPVUNQSA-N 2 2 337.464 0.679 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2noc(CC)n2)C1 ZINC001026893811 742038767 /nfs/dbraw/zinc/03/87/67/742038767.db2.gz OHEAGETXNKPICP-CABCVRRESA-N 2 2 345.447 0.668 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2noc(CC)n2)C1 ZINC001026893811 742038773 /nfs/dbraw/zinc/03/87/73/742038773.db2.gz OHEAGETXNKPICP-CABCVRRESA-N 2 2 345.447 0.668 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001027191429 743079659 /nfs/dbraw/zinc/07/96/59/743079659.db2.gz MNHVVKQACMRMQZ-GJZGRUSLSA-N 2 2 345.447 0.486 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261991709 743308298 /nfs/dbraw/zinc/30/82/98/743308298.db2.gz RKPHBQFDPCQHGZ-BBWFWOEESA-N 3 2 347.511 0.587 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261991709 743308304 /nfs/dbraw/zinc/30/83/04/743308304.db2.gz RKPHBQFDPCQHGZ-BBWFWOEESA-N 3 2 347.511 0.587 20 30 ECEDLP C#CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C(F)(F)F ZINC000998305696 744110308 /nfs/dbraw/zinc/11/03/08/744110308.db2.gz RSBQTOFVQDNCLF-OLZOCXBDSA-N 2 2 328.338 0.965 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cnn(C)c2)C1 ZINC001027446231 744483262 /nfs/dbraw/zinc/48/32/62/744483262.db2.gz CBQXMFLFMFRHKE-MSOLQXFVSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cnn(C)c2)C1 ZINC001027446231 744483266 /nfs/dbraw/zinc/48/32/66/744483266.db2.gz CBQXMFLFMFRHKE-MSOLQXFVSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2cnn(C)c2)C1 ZINC001027446231 744483272 /nfs/dbraw/zinc/48/32/72/744483272.db2.gz CBQXMFLFMFRHKE-MSOLQXFVSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CCC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001168256416 752008244 /nfs/dbraw/zinc/00/82/44/752008244.db2.gz SSJHBJNWNNFOLI-KRWDZBQOSA-N 2 2 333.476 0.997 20 30 ECEDLP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC001001001110 745965997 /nfs/dbraw/zinc/96/59/97/745965997.db2.gz ICRDEWWPEJCJST-GOSISDBHSA-N 2 2 331.460 0.869 20 30 ECEDLP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)CC1 ZINC001001001110 745966000 /nfs/dbraw/zinc/96/60/00/745966000.db2.gz ICRDEWWPEJCJST-GOSISDBHSA-N 2 2 331.460 0.869 20 30 ECEDLP C#CC[NH+]1CC=C(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001001001110 745966002 /nfs/dbraw/zinc/96/60/02/745966002.db2.gz ICRDEWWPEJCJST-GOSISDBHSA-N 2 2 331.460 0.869 20 30 ECEDLP C#CC[NH+]1CC=C(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001001001110 745966005 /nfs/dbraw/zinc/96/60/05/745966005.db2.gz ICRDEWWPEJCJST-GOSISDBHSA-N 2 2 331.460 0.869 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001001052912 746019515 /nfs/dbraw/zinc/01/95/15/746019515.db2.gz QICAVUCHRBEDTO-CABCVRRESA-N 2 2 331.420 0.251 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nocc3C)C[C@H]21 ZINC000978284942 746148661 /nfs/dbraw/zinc/14/86/61/746148661.db2.gz UNMHBCRTSJBOMG-CUSZFKRNSA-N 2 2 342.443 0.875 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nocc3C)C[C@H]21 ZINC000978284942 746148664 /nfs/dbraw/zinc/14/86/64/746148664.db2.gz UNMHBCRTSJBOMG-CUSZFKRNSA-N 2 2 342.443 0.875 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3nocc3C)C[C@H]21 ZINC000978284942 746148665 /nfs/dbraw/zinc/14/86/65/746148665.db2.gz UNMHBCRTSJBOMG-CUSZFKRNSA-N 2 2 342.443 0.875 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3nocc3C)C[C@H]21 ZINC000978284942 746148667 /nfs/dbraw/zinc/14/86/67/746148667.db2.gz UNMHBCRTSJBOMG-CUSZFKRNSA-N 2 2 342.443 0.875 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001098728936 748743528 /nfs/dbraw/zinc/74/35/28/748743528.db2.gz WTEBBYMLHXBTFY-ZBFHGGJFSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001098728936 748743534 /nfs/dbraw/zinc/74/35/34/748743534.db2.gz WTEBBYMLHXBTFY-ZBFHGGJFSA-N 2 2 330.436 0.259 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC000985714322 748940370 /nfs/dbraw/zinc/94/03/70/748940370.db2.gz AVFPTAOAJFDLGH-OAHLLOKOSA-N 2 2 345.447 0.662 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC000985714322 748940377 /nfs/dbraw/zinc/94/03/77/748940377.db2.gz AVFPTAOAJFDLGH-OAHLLOKOSA-N 2 2 345.447 0.662 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCn1cccn1 ZINC001027939133 749643136 /nfs/dbraw/zinc/64/31/36/749643136.db2.gz IGFQQBAHLUIYSB-IRXDYDNUSA-N 2 2 329.448 0.561 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCn1cccn1 ZINC001027939133 749643141 /nfs/dbraw/zinc/64/31/41/749643141.db2.gz IGFQQBAHLUIYSB-IRXDYDNUSA-N 2 2 329.448 0.561 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCn1cccn1 ZINC001027939133 749643146 /nfs/dbraw/zinc/64/31/46/749643146.db2.gz IGFQQBAHLUIYSB-IRXDYDNUSA-N 2 2 329.448 0.561 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCn1cccn1 ZINC001027939133 749643152 /nfs/dbraw/zinc/64/31/52/749643152.db2.gz IGFQQBAHLUIYSB-IRXDYDNUSA-N 2 2 329.448 0.561 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC000980834088 750237519 /nfs/dbraw/zinc/23/75/19/750237519.db2.gz NNIDSGZNWFFCJN-JKSUJKDBSA-N 2 2 334.464 0.402 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000980834088 750237523 /nfs/dbraw/zinc/23/75/23/750237523.db2.gz NNIDSGZNWFFCJN-JKSUJKDBSA-N 2 2 334.464 0.402 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1=O ZINC000980834088 750237528 /nfs/dbraw/zinc/23/75/28/750237528.db2.gz NNIDSGZNWFFCJN-JKSUJKDBSA-N 2 2 334.464 0.402 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1=O ZINC000980834088 750237535 /nfs/dbraw/zinc/23/75/35/750237535.db2.gz NNIDSGZNWFFCJN-JKSUJKDBSA-N 2 2 334.464 0.402 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001098649054 753634412 /nfs/dbraw/zinc/63/44/12/753634412.db2.gz KANVNUAHFSBEHN-HZPDHXFCSA-N 2 2 348.451 0.048 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001098649054 753634419 /nfs/dbraw/zinc/63/44/19/753634419.db2.gz KANVNUAHFSBEHN-HZPDHXFCSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001098649783 753709119 /nfs/dbraw/zinc/70/91/19/753709119.db2.gz VQYFQAVUPFYEQU-HZPDHXFCSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001098649783 753709125 /nfs/dbraw/zinc/70/91/25/753709125.db2.gz VQYFQAVUPFYEQU-HZPDHXFCSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000989669330 754284072 /nfs/dbraw/zinc/28/40/72/754284072.db2.gz APDBRVQUGCOASZ-INIZCTEOSA-N 2 2 334.464 0.403 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000989669330 754284078 /nfs/dbraw/zinc/28/40/78/754284078.db2.gz APDBRVQUGCOASZ-INIZCTEOSA-N 2 2 334.464 0.403 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3cnnn3C)C2)CC1 ZINC001009631488 755093992 /nfs/dbraw/zinc/09/39/92/755093992.db2.gz ZQAHNXXDUJJXIJ-INIZCTEOSA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3cnnn3C)C2)CC1 ZINC001009631488 755093996 /nfs/dbraw/zinc/09/39/96/755093996.db2.gz ZQAHNXXDUJJXIJ-INIZCTEOSA-N 2 2 344.463 0.241 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472507 755592451 /nfs/dbraw/zinc/59/24/51/755592451.db2.gz BGJGJIZXVSODFI-MPESAESLSA-N 2 2 348.472 0.621 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[N@H+]1C ZINC001083472507 755592453 /nfs/dbraw/zinc/59/24/53/755592453.db2.gz BGJGJIZXVSODFI-MPESAESLSA-N 2 2 348.472 0.621 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[NH+]1C ZINC001083472507 755592455 /nfs/dbraw/zinc/59/24/55/755592455.db2.gz BGJGJIZXVSODFI-MPESAESLSA-N 2 2 348.472 0.621 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC[NH+]1C ZINC001083472507 755592458 /nfs/dbraw/zinc/59/24/58/755592458.db2.gz BGJGJIZXVSODFI-MPESAESLSA-N 2 2 348.472 0.621 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C3CC3)[NH+](C)C)nn2)C1 ZINC001107179725 757297244 /nfs/dbraw/zinc/29/72/44/757297244.db2.gz RSTKJIFIKBHYKN-INIZCTEOSA-N 2 2 332.452 0.667 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[N@H+]3CCC[C@H]3C)nn2)C1 ZINC001107209040 757683327 /nfs/dbraw/zinc/68/33/27/757683327.db2.gz DJWQVKXQBMJKBS-CQSZACIVSA-N 2 2 332.452 0.811 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[N@@H+]3CCC[C@H]3C)nn2)C1 ZINC001107209040 757683333 /nfs/dbraw/zinc/68/33/33/757683333.db2.gz DJWQVKXQBMJKBS-CQSZACIVSA-N 2 2 332.452 0.811 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2coc(C)n2)C1 ZINC001051660067 762616662 /nfs/dbraw/zinc/61/66/62/762616662.db2.gz KEDLRUPUJLLUIC-SJORKVTESA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2coc(C)n2)C1 ZINC001051660067 762616664 /nfs/dbraw/zinc/61/66/64/762616664.db2.gz KEDLRUPUJLLUIC-SJORKVTESA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(C)on2)C1 ZINC001051660489 762619072 /nfs/dbraw/zinc/61/90/72/762619072.db2.gz VHNKQSPHUYYYDM-IRXDYDNUSA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(C)on2)C1 ZINC001051660489 762619074 /nfs/dbraw/zinc/61/90/74/762619074.db2.gz VHNKQSPHUYYYDM-IRXDYDNUSA-N 2 2 346.431 0.398 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]3C2)C1=O ZINC001049247688 758429495 /nfs/dbraw/zinc/42/94/95/758429495.db2.gz DBGIKCHVBSPALW-OWCLPIDISA-N 2 2 343.431 0.060 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]3C2)C1=O ZINC001049247688 758429497 /nfs/dbraw/zinc/42/94/97/758429497.db2.gz DBGIKCHVBSPALW-OWCLPIDISA-N 2 2 343.431 0.060 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC(=O)N(C)C3CC3)C2)CC1 ZINC001032204927 759606977 /nfs/dbraw/zinc/60/69/77/759606977.db2.gz JIHDISVHTQMPTP-UHFFFAOYSA-N 2 2 346.475 0.000 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3nccn3C)C2)CC1 ZINC001046849594 763226406 /nfs/dbraw/zinc/22/64/06/763226406.db2.gz HSSLNWPOEQAEJP-IBGZPJMESA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3nccn3C)C2)CC1 ZINC001046849594 763226411 /nfs/dbraw/zinc/22/64/11/763226411.db2.gz HSSLNWPOEQAEJP-IBGZPJMESA-N 2 2 343.475 0.846 20 30 ECEDLP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046924024 763394199 /nfs/dbraw/zinc/39/41/99/763394199.db2.gz BRKZINNVZBZFKN-KBPBESRZSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046924024 763394204 /nfs/dbraw/zinc/39/42/04/763394204.db2.gz BRKZINNVZBZFKN-KBPBESRZSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046924024 763394209 /nfs/dbraw/zinc/39/42/09/763394209.db2.gz BRKZINNVZBZFKN-KBPBESRZSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046924024 763394216 /nfs/dbraw/zinc/39/42/16/763394216.db2.gz BRKZINNVZBZFKN-KBPBESRZSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046924030 763394244 /nfs/dbraw/zinc/39/42/44/763394244.db2.gz BRKZINNVZBZFKN-ZIAGYGMSSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046924030 763394248 /nfs/dbraw/zinc/39/42/48/763394248.db2.gz BRKZINNVZBZFKN-ZIAGYGMSSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046924030 763394250 /nfs/dbraw/zinc/39/42/50/763394250.db2.gz BRKZINNVZBZFKN-ZIAGYGMSSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046924030 763394258 /nfs/dbraw/zinc/39/42/58/763394258.db2.gz BRKZINNVZBZFKN-ZIAGYGMSSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCO)CCC1(F)F ZINC001046947489 763439043 /nfs/dbraw/zinc/43/90/43/763439043.db2.gz RWLMXPDXWQPYCY-KBPBESRZSA-N 2 2 329.391 0.150 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCO)CCC1(F)F ZINC001046947489 763439044 /nfs/dbraw/zinc/43/90/44/763439044.db2.gz RWLMXPDXWQPYCY-KBPBESRZSA-N 2 2 329.391 0.150 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCC1(F)F ZINC001046947489 763439046 /nfs/dbraw/zinc/43/90/46/763439046.db2.gz RWLMXPDXWQPYCY-KBPBESRZSA-N 2 2 329.391 0.150 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCO)CCC1(F)F ZINC001046947489 763439047 /nfs/dbraw/zinc/43/90/47/763439047.db2.gz RWLMXPDXWQPYCY-KBPBESRZSA-N 2 2 329.391 0.150 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046964176 763475490 /nfs/dbraw/zinc/47/54/90/763475490.db2.gz NBNOKVHIQINBNG-LSDHHAIUSA-N 2 2 343.418 0.802 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046964176 763475496 /nfs/dbraw/zinc/47/54/96/763475496.db2.gz NBNOKVHIQINBNG-LSDHHAIUSA-N 2 2 343.418 0.802 20 30 ECEDLP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046964176 763475500 /nfs/dbraw/zinc/47/55/00/763475500.db2.gz NBNOKVHIQINBNG-LSDHHAIUSA-N 2 2 343.418 0.802 20 30 ECEDLP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046964176 763475505 /nfs/dbraw/zinc/47/55/05/763475505.db2.gz NBNOKVHIQINBNG-LSDHHAIUSA-N 2 2 343.418 0.802 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001052052596 763716988 /nfs/dbraw/zinc/71/69/88/763716988.db2.gz QWEWULYXFIPIMQ-SFHVURJKSA-N 2 2 337.427 0.800 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106343041 768169842 /nfs/dbraw/zinc/16/98/42/768169842.db2.gz NRLVGDUTXQOLNX-BRWVUGGUSA-N 2 2 344.459 0.779 20 30 ECEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001015357537 764430770 /nfs/dbraw/zinc/43/07/70/764430770.db2.gz QIEGUWJLGVORRM-BBWFWOEESA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001015357537 764430773 /nfs/dbraw/zinc/43/07/73/764430773.db2.gz QIEGUWJLGVORRM-BBWFWOEESA-N 2 2 337.464 0.633 20 30 ECEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047627915 764926738 /nfs/dbraw/zinc/92/67/38/764926738.db2.gz ZRLMYYCMRFXJSZ-ROUUACIJSA-N 2 2 342.443 0.658 20 30 ECEDLP CN(C(=O)C[NH+]1CCCC1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047627915 764926745 /nfs/dbraw/zinc/92/67/45/764926745.db2.gz ZRLMYYCMRFXJSZ-ROUUACIJSA-N 2 2 342.443 0.658 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)O2 ZINC001053585743 766376550 /nfs/dbraw/zinc/37/65/50/766376550.db2.gz KIFWPNCZFBBITM-CVEARBPZSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)O2 ZINC001053585743 766376559 /nfs/dbraw/zinc/37/65/59/766376559.db2.gz KIFWPNCZFBBITM-CVEARBPZSA-N 2 2 337.464 0.633 20 30 ECEDLP N#CCN1CC[C@@H]([NH+]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001046039529 766743933 /nfs/dbraw/zinc/74/39/33/766743933.db2.gz QNMYAGKMLGIHQZ-QGZVFWFLSA-N 2 2 345.491 0.604 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001031742478 766998765 /nfs/dbraw/zinc/99/87/65/766998765.db2.gz GONPUQWIRKOEIN-LSDHHAIUSA-N 2 2 341.402 0.556 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCO[C@@H]2CC2(F)F)C1 ZINC001031742478 766998771 /nfs/dbraw/zinc/99/87/71/766998771.db2.gz GONPUQWIRKOEIN-LSDHHAIUSA-N 2 2 341.402 0.556 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001018391082 769274635 /nfs/dbraw/zinc/27/46/35/769274635.db2.gz BUFCRDCKYDFRLQ-IRXDYDNUSA-N 2 2 348.491 0.507 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001018391082 769274646 /nfs/dbraw/zinc/27/46/46/769274646.db2.gz BUFCRDCKYDFRLQ-IRXDYDNUSA-N 2 2 348.491 0.507 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001018391081 769275545 /nfs/dbraw/zinc/27/55/45/769275545.db2.gz BUFCRDCKYDFRLQ-IAGOWNOFSA-N 2 2 348.491 0.507 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001018391081 769275550 /nfs/dbraw/zinc/27/55/50/769275550.db2.gz BUFCRDCKYDFRLQ-IAGOWNOFSA-N 2 2 348.491 0.507 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC001018986083 770485237 /nfs/dbraw/zinc/48/52/37/770485237.db2.gz QXQNQBAZAREKSJ-IRXDYDNUSA-N 2 2 329.448 0.691 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC001018986083 770485244 /nfs/dbraw/zinc/48/52/44/770485244.db2.gz QXQNQBAZAREKSJ-IRXDYDNUSA-N 2 2 329.448 0.691 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCc3cnn(CC)c3)C2)CC1 ZINC001031435039 771069416 /nfs/dbraw/zinc/06/94/16/771069416.db2.gz NWPJRSYUYUKAEW-UHFFFAOYSA-N 2 2 343.475 0.591 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1 ZINC001020045715 772106639 /nfs/dbraw/zinc/10/66/39/772106639.db2.gz JJVXFTLJWZJYHD-BFYDXBDKSA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1 ZINC001020045715 772106643 /nfs/dbraw/zinc/10/66/43/772106643.db2.gz JJVXFTLJWZJYHD-BFYDXBDKSA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001020046231 772107892 /nfs/dbraw/zinc/10/78/92/772107892.db2.gz YIDZLVGOFJSPHB-ULQDDVLXSA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001020046231 772107895 /nfs/dbraw/zinc/10/78/95/772107895.db2.gz YIDZLVGOFJSPHB-ULQDDVLXSA-N 2 2 346.406 0.765 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC001020250968 772351178 /nfs/dbraw/zinc/35/11/78/772351178.db2.gz YKKKGMKVCLSZJY-XEZPLFJOSA-N 2 2 349.866 0.908 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC001020250968 772351184 /nfs/dbraw/zinc/35/11/84/772351184.db2.gz YKKKGMKVCLSZJY-XEZPLFJOSA-N 2 2 349.866 0.908 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001045253915 775239909 /nfs/dbraw/zinc/23/99/09/775239909.db2.gz WROSNBJTSDGMII-KBPBESRZSA-N 2 2 331.420 0.320 20 30 ECEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102492 790614006 /nfs/dbraw/zinc/61/40/06/790614006.db2.gz NQKFLLSQURGAEY-ZACQAIPSSA-N 2 2 344.463 0.517 20 30 ECEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102492 790614013 /nfs/dbraw/zinc/61/40/13/790614013.db2.gz NQKFLLSQURGAEY-ZACQAIPSSA-N 2 2 344.463 0.517 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102492 790614019 /nfs/dbraw/zinc/61/40/19/790614019.db2.gz NQKFLLSQURGAEY-ZACQAIPSSA-N 2 2 344.463 0.517 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102492 790614022 /nfs/dbraw/zinc/61/40/22/790614022.db2.gz NQKFLLSQURGAEY-ZACQAIPSSA-N 2 2 344.463 0.517 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1n1ccnn1 ZINC001070194634 783632518 /nfs/dbraw/zinc/63/25/18/783632518.db2.gz GBYREWSTUBHZIO-CVEARBPZSA-N 2 2 349.398 0.523 20 30 ECEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442572 784085562 /nfs/dbraw/zinc/08/55/62/784085562.db2.gz JTLLYBUTQKLFCX-GJZGRUSLSA-N 2 2 342.447 0.068 20 30 ECEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070442572 784085566 /nfs/dbraw/zinc/08/55/66/784085566.db2.gz JTLLYBUTQKLFCX-GJZGRUSLSA-N 2 2 342.447 0.068 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001070540659 784244670 /nfs/dbraw/zinc/24/46/70/784244670.db2.gz CCEZQYBNMXRUGN-YQQAZPJKSA-N 2 2 340.431 0.785 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001070995136 784353578 /nfs/dbraw/zinc/35/35/78/784353578.db2.gz SSMTVHSKGMKPRU-UHFFFAOYSA-N 2 2 336.480 0.555 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001070995136 784353588 /nfs/dbraw/zinc/35/35/88/784353588.db2.gz SSMTVHSKGMKPRU-UHFFFAOYSA-N 2 2 336.480 0.555 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001071000166 784371002 /nfs/dbraw/zinc/37/10/02/784371002.db2.gz QPNMROONUFYPOR-MRXNPFEDSA-N 2 2 336.480 0.555 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001071000166 784371005 /nfs/dbraw/zinc/37/10/05/784371005.db2.gz QPNMROONUFYPOR-MRXNPFEDSA-N 2 2 336.480 0.555 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001071000166 784371015 /nfs/dbraw/zinc/37/10/15/784371015.db2.gz QPNMROONUFYPOR-MRXNPFEDSA-N 2 2 336.480 0.555 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001071000166 784371024 /nfs/dbraw/zinc/37/10/24/784371024.db2.gz QPNMROONUFYPOR-MRXNPFEDSA-N 2 2 336.480 0.555 20 30 ECEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)C[C@@H]21 ZINC001074410287 786895888 /nfs/dbraw/zinc/89/58/88/786895888.db2.gz PEGUUAVLOMUROW-OALUTQOASA-N 2 2 343.471 0.657 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)C[C@@H]21 ZINC001074410287 786895909 /nfs/dbraw/zinc/89/59/09/786895909.db2.gz PEGUUAVLOMUROW-OALUTQOASA-N 2 2 343.471 0.657 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001073665307 786914731 /nfs/dbraw/zinc/91/47/31/786914731.db2.gz WSOMWSQKAJCADL-CVEARBPZSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001073665307 786914735 /nfs/dbraw/zinc/91/47/35/786914735.db2.gz WSOMWSQKAJCADL-CVEARBPZSA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764873 787157340 /nfs/dbraw/zinc/15/73/40/787157340.db2.gz MPHJTVXYNDOARV-FUHWJXTLSA-N 2 2 344.459 0.984 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764873 787157343 /nfs/dbraw/zinc/15/73/43/787157343.db2.gz MPHJTVXYNDOARV-FUHWJXTLSA-N 2 2 344.459 0.984 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266308596 835674556 /nfs/dbraw/zinc/67/45/56/835674556.db2.gz YLXFBRTYFISKRD-HOTGVXAUSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266308596 835674558 /nfs/dbraw/zinc/67/45/58/835674558.db2.gz YLXFBRTYFISKRD-HOTGVXAUSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001266308596 835674561 /nfs/dbraw/zinc/67/45/61/835674561.db2.gz YLXFBRTYFISKRD-HOTGVXAUSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001266308596 835674565 /nfs/dbraw/zinc/67/45/65/835674565.db2.gz YLXFBRTYFISKRD-HOTGVXAUSA-N 2 2 334.464 0.472 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC)Cc2cn(C)nn2)CC1 ZINC001266579788 836008940 /nfs/dbraw/zinc/00/89/40/836008940.db2.gz YOEFXMFBAQWUPJ-UHFFFAOYSA-N 2 2 346.479 0.489 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC)Cc2cn(C)nn2)CC1 ZINC001266579788 836008943 /nfs/dbraw/zinc/00/89/43/836008943.db2.gz YOEFXMFBAQWUPJ-UHFFFAOYSA-N 2 2 346.479 0.489 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267048618 836677072 /nfs/dbraw/zinc/67/70/72/836677072.db2.gz YSEQKBVZIJYGOV-GJZGRUSLSA-N 2 2 345.447 0.186 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267107514 836790020 /nfs/dbraw/zinc/79/00/20/836790020.db2.gz DYGVFBODKWBLMS-CVEARBPZSA-N 2 2 345.447 0.252 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267107514 836790030 /nfs/dbraw/zinc/79/00/30/836790030.db2.gz DYGVFBODKWBLMS-CVEARBPZSA-N 2 2 345.447 0.252 20 30 ECEDLP COCC1(C#N)CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000342821393 284798728 /nfs/dbraw/zinc/79/87/28/284798728.db2.gz NFIYPGJWMRURQJ-UHFFFAOYSA-N 2 2 344.463 0.981 20 30 ECEDLP C[NH+]1CCN(CC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000070921984 435995784 /nfs/dbraw/zinc/99/57/84/435995784.db2.gz NAPWSZDQWJRSSM-UHFFFAOYSA-N 2 2 341.459 0.450 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCOc2ccc(F)cc2)CC1 ZINC000081646552 436353212 /nfs/dbraw/zinc/35/32/12/436353212.db2.gz WHRVOWXXNRGJAG-UHFFFAOYSA-N 2 2 333.407 0.914 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCOc2ccc(F)cc2)CC1 ZINC000081646552 436353216 /nfs/dbraw/zinc/35/32/16/436353216.db2.gz WHRVOWXXNRGJAG-UHFFFAOYSA-N 2 2 333.407 0.914 20 30 ECEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264119964 437016918 /nfs/dbraw/zinc/01/69/18/437016918.db2.gz QTMLXUXRNSQLOH-KRWDZBQOSA-N 3 2 333.480 0.916 20 30 ECEDLP Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C ZINC000329977703 303006534 /nfs/dbraw/zinc/00/65/34/303006534.db2.gz ZYOTXRRBDZSZCT-UKRRQHHQSA-N 2 2 332.452 0.859 20 30 ECEDLP Cn1cc[nH+]c1[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCN1C ZINC000329977703 303006536 /nfs/dbraw/zinc/00/65/36/303006536.db2.gz ZYOTXRRBDZSZCT-UKRRQHHQSA-N 2 2 332.452 0.859 20 30 ECEDLP C[NH+](C)C1CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000329405473 437364480 /nfs/dbraw/zinc/36/44/80/437364480.db2.gz CNSLZNQVJAMPHG-UHFFFAOYSA-N 2 2 346.435 0.261 20 30 ECEDLP CN(C)C(=O)CO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000289444861 437412477 /nfs/dbraw/zinc/41/24/77/437412477.db2.gz UEOMEMQCFIHCBY-UHFFFAOYSA-N 2 2 347.463 0.571 20 30 ECEDLP CN(C)C(=O)CO[NH+]=C(N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000289444861 437412481 /nfs/dbraw/zinc/41/24/81/437412481.db2.gz UEOMEMQCFIHCBY-UHFFFAOYSA-N 2 2 347.463 0.571 20 30 ECEDLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000329809089 437416063 /nfs/dbraw/zinc/41/60/63/437416063.db2.gz PVQVNICGCUIYPN-ZBFHGGJFSA-N 2 2 334.468 0.934 20 30 ECEDLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000329809089 437416066 /nfs/dbraw/zinc/41/60/66/437416066.db2.gz PVQVNICGCUIYPN-ZBFHGGJFSA-N 2 2 334.468 0.934 20 30 ECEDLP C[N@H+](CCCn1cc[nH+]c1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289889342 437448273 /nfs/dbraw/zinc/44/82/73/437448273.db2.gz MKEJTQFLQRZSPZ-UHFFFAOYSA-N 2 2 333.417 0.946 20 30 ECEDLP C[N@@H+](CCCn1cc[nH+]c1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000289889342 437448278 /nfs/dbraw/zinc/44/82/78/437448278.db2.gz MKEJTQFLQRZSPZ-UHFFFAOYSA-N 2 2 333.417 0.946 20 30 ECEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000361705570 437681755 /nfs/dbraw/zinc/68/17/55/437681755.db2.gz MAMSUGKDWHQYGF-UHFFFAOYSA-N 2 2 333.440 0.944 20 30 ECEDLP CN(CCC[N@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1)CC[NH+](C)C ZINC000344059378 437724208 /nfs/dbraw/zinc/72/42/08/437724208.db2.gz LSYNZQKGOYYIDF-KRWDZBQOSA-N 2 2 331.464 0.900 20 30 ECEDLP CN(CCC[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1)CC[NH+](C)C ZINC000344059378 437724213 /nfs/dbraw/zinc/72/42/13/437724213.db2.gz LSYNZQKGOYYIDF-KRWDZBQOSA-N 2 2 331.464 0.900 20 30 ECEDLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424161920 437895778 /nfs/dbraw/zinc/89/57/78/437895778.db2.gz ZAQJRBAUJOVLLF-CABCVRRESA-N 2 2 335.452 0.163 20 30 ECEDLP CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C#N ZINC000372224068 438051680 /nfs/dbraw/zinc/05/16/80/438051680.db2.gz WDPICRVXKZJABI-GDBMZVCRSA-N 2 2 334.468 0.004 20 30 ECEDLP CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@H]1C#N ZINC000372224068 438051683 /nfs/dbraw/zinc/05/16/83/438051683.db2.gz WDPICRVXKZJABI-GDBMZVCRSA-N 2 2 334.468 0.004 20 30 ECEDLP CN(CC#CC[N@H+](C)CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C ZINC000351630914 438306907 /nfs/dbraw/zinc/30/69/07/438306907.db2.gz DPHCVGHMQUMQBJ-UHFFFAOYSA-N 2 2 338.496 0.683 20 30 ECEDLP CN(CC#CC[N@@H+](C)CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C ZINC000351630914 438306911 /nfs/dbraw/zinc/30/69/11/438306911.db2.gz DPHCVGHMQUMQBJ-UHFFFAOYSA-N 2 2 338.496 0.683 20 30 ECEDLP C[NH+](CC#CC[N@@H+](C)CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C ZINC000351630914 438306915 /nfs/dbraw/zinc/30/69/15/438306915.db2.gz DPHCVGHMQUMQBJ-UHFFFAOYSA-N 2 2 338.496 0.683 20 30 ECEDLP C[NH+](CC#CC[N@H+](C)CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C ZINC000351630914 438306919 /nfs/dbraw/zinc/30/69/19/438306919.db2.gz DPHCVGHMQUMQBJ-UHFFFAOYSA-N 2 2 338.496 0.683 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000377640213 438315501 /nfs/dbraw/zinc/31/55/01/438315501.db2.gz MICBGXRGDJCHNP-LJQANCHMSA-N 3 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000377640213 438315506 /nfs/dbraw/zinc/31/55/06/438315506.db2.gz MICBGXRGDJCHNP-LJQANCHMSA-N 3 2 346.519 0.959 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369359605 438460551 /nfs/dbraw/zinc/46/05/51/438460551.db2.gz RVMQCAKNCWQDOM-GJZGRUSLSA-N 2 2 337.468 0.099 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369359605 438460555 /nfs/dbraw/zinc/46/05/55/438460555.db2.gz RVMQCAKNCWQDOM-GJZGRUSLSA-N 2 2 337.468 0.099 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@H]3CCCCNC3=O)CC2)CC1 ZINC000370037119 438543506 /nfs/dbraw/zinc/54/35/06/438543506.db2.gz PJYSQVSTONJDEC-KRWDZBQOSA-N 2 2 346.475 0.145 20 30 ECEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)C1 ZINC000370080531 438549693 /nfs/dbraw/zinc/54/96/93/438549693.db2.gz FZERADJMKOAQMT-IKGGRYGDSA-N 2 2 334.464 0.982 20 30 ECEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000577474805 438843667 /nfs/dbraw/zinc/84/36/67/438843667.db2.gz LGMFFIKJQDBLDN-SJORKVTESA-N 3 2 337.512 0.969 20 30 ECEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000577474805 438843672 /nfs/dbraw/zinc/84/36/72/438843672.db2.gz LGMFFIKJQDBLDN-SJORKVTESA-N 3 2 337.512 0.969 20 30 ECEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000563137672 438859611 /nfs/dbraw/zinc/85/96/11/438859611.db2.gz HMNALKLUHLHNLB-RTBURBONSA-N 2 2 346.475 0.202 20 30 ECEDLP C[NH+](C)CCn1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000581080216 439168413 /nfs/dbraw/zinc/16/84/13/439168413.db2.gz MMQDCLZYGVZZTK-UHFFFAOYSA-N 2 2 348.451 0.133 20 30 ECEDLP C=CC[NH+]1CCC(Nc2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000524687134 439190270 /nfs/dbraw/zinc/19/02/70/439190270.db2.gz VKOUGJGRKZTDIB-UHFFFAOYSA-N 2 2 327.432 0.940 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@@H]2COc3ccccc32)CC1 ZINC000490933951 439314195 /nfs/dbraw/zinc/31/41/95/439314195.db2.gz GWKKCVJCXYFNMC-WBVHZDCISA-N 2 2 327.428 0.918 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)nc1 ZINC000569351029 439325069 /nfs/dbraw/zinc/32/50/69/439325069.db2.gz JMBHNWXUGSJGEV-CQSZACIVSA-N 2 2 334.445 0.801 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000569351029 439325073 /nfs/dbraw/zinc/32/50/73/439325073.db2.gz JMBHNWXUGSJGEV-CQSZACIVSA-N 2 2 334.445 0.801 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000491070476 439327609 /nfs/dbraw/zinc/32/76/09/439327609.db2.gz CJDWHXNVHXFSGC-UHFFFAOYSA-N 2 2 341.415 0.892 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000491070476 439327612 /nfs/dbraw/zinc/32/76/12/439327612.db2.gz CJDWHXNVHXFSGC-UHFFFAOYSA-N 2 2 341.415 0.892 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000491125760 439334089 /nfs/dbraw/zinc/33/40/89/439334089.db2.gz GTQGHIYDLCBKMA-ZIAGYGMSSA-N 2 2 347.381 0.257 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000491125760 439334094 /nfs/dbraw/zinc/33/40/94/439334094.db2.gz GTQGHIYDLCBKMA-ZIAGYGMSSA-N 2 2 347.381 0.257 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)N(CC)CC)CC2)CC1 ZINC000490778641 439297990 /nfs/dbraw/zinc/29/79/90/439297990.db2.gz HZUYNBGGWHMELV-UHFFFAOYSA-N 2 2 348.491 0.344 20 30 ECEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000598714220 439306673 /nfs/dbraw/zinc/30/66/73/439306673.db2.gz GVGNJTJRSNRYPD-MRXNPFEDSA-N 2 2 346.479 0.879 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C(N)=O)[C@@H](C)c2ccccc2)CC1 ZINC000491556948 439406548 /nfs/dbraw/zinc/40/65/48/439406548.db2.gz ZVNYZHXIUJSJAO-MAUKXSAKSA-N 2 2 342.443 0.011 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000491711385 439433124 /nfs/dbraw/zinc/43/31/24/439433124.db2.gz ULEFFEKXBPZAFD-SFHVURJKSA-N 2 2 327.428 0.917 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000491711385 439433127 /nfs/dbraw/zinc/43/31/27/439433127.db2.gz ULEFFEKXBPZAFD-SFHVURJKSA-N 2 2 327.428 0.917 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCCC[C@H]2C(=O)OC)CC1 ZINC000491727332 439435975 /nfs/dbraw/zinc/43/59/75/439435975.db2.gz FSFCHYHPYPBSHL-CVEARBPZSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000491734164 439436315 /nfs/dbraw/zinc/43/63/15/439436315.db2.gz NOMZPJGVDDDVFU-OAHLLOKOSA-N 2 2 331.420 0.118 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000491734164 439436320 /nfs/dbraw/zinc/43/63/20/439436320.db2.gz NOMZPJGVDDDVFU-OAHLLOKOSA-N 2 2 331.420 0.118 20 30 ECEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC000536342010 439538474 /nfs/dbraw/zinc/53/84/74/439538474.db2.gz YPYSUTJJOFVPMC-ZDUSSCGKSA-N 2 2 347.467 0.281 20 30 ECEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC000536342010 439538478 /nfs/dbraw/zinc/53/84/78/439538478.db2.gz YPYSUTJJOFVPMC-ZDUSSCGKSA-N 2 2 347.467 0.281 20 30 ECEDLP CN(C(=O)C1(C#N)CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609559500 439575975 /nfs/dbraw/zinc/57/59/75/439575975.db2.gz JNTWCEKUMZJTQJ-MRXNPFEDSA-N 2 2 334.464 0.934 20 30 ECEDLP CN(C(=O)C1(C#N)CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609559500 439575978 /nfs/dbraw/zinc/57/59/78/439575978.db2.gz JNTWCEKUMZJTQJ-MRXNPFEDSA-N 2 2 334.464 0.934 20 30 ECEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600719668 439695438 /nfs/dbraw/zinc/69/54/38/439695438.db2.gz DQZADPKKMVWGJR-SJORKVTESA-N 2 2 333.432 0.998 20 30 ECEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600719668 439695440 /nfs/dbraw/zinc/69/54/40/439695440.db2.gz DQZADPKKMVWGJR-SJORKVTESA-N 2 2 333.432 0.998 20 30 ECEDLP C=CC[C@@]1(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCC[NH2+]1 ZINC000662728903 439861507 /nfs/dbraw/zinc/86/15/07/439861507.db2.gz XEYBMUJFUMBWGI-KRWDZBQOSA-N 2 2 333.436 0.852 20 30 ECEDLP C=CCCn1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)nn1 ZINC000641786499 439915241 /nfs/dbraw/zinc/91/52/41/439915241.db2.gz FSTJZUMXKUWKMX-QGZVFWFLSA-N 2 2 348.495 0.740 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000573873598 322769511 /nfs/dbraw/zinc/76/95/11/322769511.db2.gz CEYNLAMGGCRDNS-OAHLLOKOSA-N 2 2 327.388 0.843 20 30 ECEDLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078006021 782120061 /nfs/dbraw/zinc/12/00/61/782120061.db2.gz PWJLFKODNRWPGS-APHBMKBZSA-N 2 2 348.472 0.623 20 30 ECEDLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078006021 782120064 /nfs/dbraw/zinc/12/00/64/782120064.db2.gz PWJLFKODNRWPGS-APHBMKBZSA-N 2 2 348.472 0.623 20 30 ECEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078006021 782120068 /nfs/dbraw/zinc/12/00/68/782120068.db2.gz PWJLFKODNRWPGS-APHBMKBZSA-N 2 2 348.472 0.623 20 30 ECEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078006021 782120074 /nfs/dbraw/zinc/12/00/74/782120074.db2.gz PWJLFKODNRWPGS-APHBMKBZSA-N 2 2 348.472 0.623 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(N(C)CC(F)F)CC2)CC1 ZINC000749845989 579344058 /nfs/dbraw/zinc/34/40/58/579344058.db2.gz SMBNBOUXTICYIF-UHFFFAOYSA-N 2 2 342.434 0.425 20 30 ECEDLP Nc1nc(Cl)c(C=[NH+]Nc2cc[nH+]cc2)c(N2CCOCC2)n1 ZINC000779806973 579321081 /nfs/dbraw/zinc/32/10/81/579321081.db2.gz KHZQATYNPXPMBO-UHFFFAOYSA-N 2 2 333.783 0.812 20 30 ECEDLP Cn1cc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000761309333 579527272 /nfs/dbraw/zinc/52/72/72/579527272.db2.gz JXLJXTQLHIUWCQ-UHFFFAOYSA-N 2 2 330.392 0.484 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000743764279 579801921 /nfs/dbraw/zinc/80/19/21/579801921.db2.gz CCUUTDBZCRBNGP-ICSRJNTNSA-N 2 2 341.455 0.837 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000743764279 579801923 /nfs/dbraw/zinc/80/19/23/579801923.db2.gz CCUUTDBZCRBNGP-ICSRJNTNSA-N 2 2 341.455 0.837 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000743764279 579801925 /nfs/dbraw/zinc/80/19/25/579801925.db2.gz CCUUTDBZCRBNGP-ICSRJNTNSA-N 2 2 341.455 0.837 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000743764279 579801927 /nfs/dbraw/zinc/80/19/27/579801927.db2.gz CCUUTDBZCRBNGP-ICSRJNTNSA-N 2 2 341.455 0.837 20 30 ECEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCO[C@@](C)(C#N)C3)CC2)CC1 ZINC000892522283 586271399 /nfs/dbraw/zinc/27/13/99/586271399.db2.gz WCOQDQBTAAXHAO-SFHVURJKSA-N 2 2 349.479 0.869 20 30 ECEDLP C[NH+]1CCC([NH2+]Cc2cn(C[C@H](O)CC3(C#N)CCC3)nn2)CC1 ZINC000900581063 586643669 /nfs/dbraw/zinc/64/36/69/586643669.db2.gz NUPOLCWAGFEYAR-MRXNPFEDSA-N 2 2 332.452 0.907 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000906578440 586956472 /nfs/dbraw/zinc/95/64/72/586956472.db2.gz AAPICPANAVVNJH-KRWDZBQOSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906578440 586956473 /nfs/dbraw/zinc/95/64/73/586956473.db2.gz AAPICPANAVVNJH-KRWDZBQOSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000906578440 586956476 /nfs/dbraw/zinc/95/64/76/586956476.db2.gz AAPICPANAVVNJH-KRWDZBQOSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000906578440 586956478 /nfs/dbraw/zinc/95/64/78/586956478.db2.gz AAPICPANAVVNJH-KRWDZBQOSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000801570983 586999728 /nfs/dbraw/zinc/99/97/28/586999728.db2.gz TUGDPORSEJMCBV-KRWDZBQOSA-N 2 2 327.428 0.747 20 30 ECEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCCCn3cc[nH+]c3)cn2)CC1 ZINC000848419163 589292918 /nfs/dbraw/zinc/29/29/18/589292918.db2.gz UXLXTTROHMDKBF-UHFFFAOYSA-N 3 2 328.424 0.439 20 30 ECEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCCCn3ccnc3)cn2)CC1 ZINC000848419163 589292919 /nfs/dbraw/zinc/29/29/19/589292919.db2.gz UXLXTTROHMDKBF-UHFFFAOYSA-N 2 2 328.424 0.439 20 30 ECEDLP C#CCC[NH+]1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000853264457 589539294 /nfs/dbraw/zinc/53/92/94/589539294.db2.gz DQPGMXWHJOPIPW-UHFFFAOYSA-N 2 2 329.448 0.973 20 30 ECEDLP COC[C@@H](CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1)OC ZINC000853657489 589553959 /nfs/dbraw/zinc/55/39/59/589553959.db2.gz FKQBQZYGCJHUGB-INIZCTEOSA-N 2 2 337.420 0.817 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000874382366 590237138 /nfs/dbraw/zinc/23/71/38/590237138.db2.gz BSNUCBURYKTYFV-UHFFFAOYSA-N 2 2 345.447 0.290 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000874382366 590237140 /nfs/dbraw/zinc/23/71/40/590237140.db2.gz BSNUCBURYKTYFV-UHFFFAOYSA-N 2 2 345.447 0.290 20 30 ECEDLP CC1(C)C[N@H+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876746317 590407847 /nfs/dbraw/zinc/40/78/47/590407847.db2.gz JYYLOTUCPXEOHT-KRWDZBQOSA-N 2 2 342.443 0.972 20 30 ECEDLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876746317 590407848 /nfs/dbraw/zinc/40/78/48/590407848.db2.gz JYYLOTUCPXEOHT-KRWDZBQOSA-N 2 2 342.443 0.972 20 30 ECEDLP C[NH+]1CCN(CCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876780156 590413724 /nfs/dbraw/zinc/41/37/24/590413724.db2.gz RMGGMFXCRALEFT-GOSISDBHSA-N 2 2 341.459 0.499 20 30 ECEDLP CN1CC[NH+](CCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876780156 590413727 /nfs/dbraw/zinc/41/37/27/590413727.db2.gz RMGGMFXCRALEFT-GOSISDBHSA-N 2 2 341.459 0.499 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000884045928 590716226 /nfs/dbraw/zinc/71/62/26/590716226.db2.gz LWPBQYHREOWKDQ-ZACQAIPSSA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000884045928 590716228 /nfs/dbraw/zinc/71/62/28/590716228.db2.gz LWPBQYHREOWKDQ-ZACQAIPSSA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926142177 611519804 /nfs/dbraw/zinc/51/98/04/611519804.db2.gz NYMZHIBPUQAQCQ-OYNZLANYSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926142177 611519807 /nfs/dbraw/zinc/51/98/07/611519807.db2.gz NYMZHIBPUQAQCQ-OYNZLANYSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[NH+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926142177 611519809 /nfs/dbraw/zinc/51/98/09/611519809.db2.gz NYMZHIBPUQAQCQ-OYNZLANYSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[NH+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926142177 611519812 /nfs/dbraw/zinc/51/98/12/611519812.db2.gz NYMZHIBPUQAQCQ-OYNZLANYSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000924035186 608725365 /nfs/dbraw/zinc/72/53/65/608725365.db2.gz IDMUANWYWZQLIU-XHSDSOJGSA-N 2 2 336.505 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000924035186 608725368 /nfs/dbraw/zinc/72/53/68/608725368.db2.gz IDMUANWYWZQLIU-XHSDSOJGSA-N 2 2 336.505 0.963 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000924035186 608725370 /nfs/dbraw/zinc/72/53/70/608725370.db2.gz IDMUANWYWZQLIU-XHSDSOJGSA-N 2 2 336.505 0.963 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000924035186 608725373 /nfs/dbraw/zinc/72/53/73/608725373.db2.gz IDMUANWYWZQLIU-XHSDSOJGSA-N 2 2 336.505 0.963 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000912993079 610028786 /nfs/dbraw/zinc/02/87/86/610028786.db2.gz QHZKZJUIRUBROV-QGZVFWFLSA-N 2 2 325.453 0.226 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000912993079 610028787 /nfs/dbraw/zinc/02/87/87/610028787.db2.gz QHZKZJUIRUBROV-QGZVFWFLSA-N 2 2 325.453 0.226 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)CC1(C)C ZINC000940807925 610373143 /nfs/dbraw/zinc/37/31/43/610373143.db2.gz WKTBJRITCXWHDH-GJZGRUSLSA-N 2 2 334.464 0.047 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)NC)CC1(C)C ZINC000940807925 610373147 /nfs/dbraw/zinc/37/31/47/610373147.db2.gz WKTBJRITCXWHDH-GJZGRUSLSA-N 2 2 334.464 0.047 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC)CC1(C)C ZINC000940807925 610373149 /nfs/dbraw/zinc/37/31/49/610373149.db2.gz WKTBJRITCXWHDH-GJZGRUSLSA-N 2 2 334.464 0.047 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)NC)CC1(C)C ZINC000940807925 610373152 /nfs/dbraw/zinc/37/31/52/610373152.db2.gz WKTBJRITCXWHDH-GJZGRUSLSA-N 2 2 334.464 0.047 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000941627664 610416350 /nfs/dbraw/zinc/41/63/50/610416350.db2.gz JGUYGWGJPKEGDC-UHFFFAOYSA-N 2 2 332.492 0.568 20 30 ECEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000834506755 611288744 /nfs/dbraw/zinc/28/87/44/611288744.db2.gz VPBKOXHUSHFFJC-VXGBXAGGSA-N 2 2 326.316 0.622 20 30 ECEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000970215343 733207163 /nfs/dbraw/zinc/20/71/63/733207163.db2.gz XWULOAWTKKGCFI-CRAIPNDOSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000970215343 733207165 /nfs/dbraw/zinc/20/71/65/733207165.db2.gz XWULOAWTKKGCFI-CRAIPNDOSA-N 2 2 333.476 0.947 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CCCNC(=O)C[C@H](C)n2cc[nH+]c2)C1=O ZINC001167429012 734226315 /nfs/dbraw/zinc/22/63/15/734226315.db2.gz OTEOGSLXKOUKQV-GJZGRUSLSA-N 2 2 333.436 0.717 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccnn2C)C1 ZINC000971703333 734964115 /nfs/dbraw/zinc/96/41/15/734964115.db2.gz DRWRXXIQMYAIJB-RDJZCZTQSA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccnn2C)C1 ZINC000971703333 734964117 /nfs/dbraw/zinc/96/41/17/734964117.db2.gz DRWRXXIQMYAIJB-RDJZCZTQSA-N 2 2 329.448 0.550 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380112 736047787 /nfs/dbraw/zinc/04/77/87/736047787.db2.gz DVPCBQVALFAGCW-HKUYNNGSSA-N 2 2 331.460 0.655 20 30 ECEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380112 736047792 /nfs/dbraw/zinc/04/77/92/736047792.db2.gz DVPCBQVALFAGCW-HKUYNNGSSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2O)CC1 ZINC001078228082 782525136 /nfs/dbraw/zinc/52/51/36/782525136.db2.gz BXFOAMTVPFANPF-QZTJIDSGSA-N 2 2 342.443 0.088 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2O)CC1 ZINC001078228082 782525142 /nfs/dbraw/zinc/52/51/42/782525142.db2.gz BXFOAMTVPFANPF-QZTJIDSGSA-N 2 2 342.443 0.088 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cncn1 ZINC001024487155 738014655 /nfs/dbraw/zinc/01/46/55/738014655.db2.gz NPYLSEBFAZTRDJ-IRXDYDNUSA-N 2 2 344.463 0.346 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCn1cncn1 ZINC001024487155 738014660 /nfs/dbraw/zinc/01/46/60/738014660.db2.gz NPYLSEBFAZTRDJ-IRXDYDNUSA-N 2 2 344.463 0.346 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCn1cncn1 ZINC001024487155 738014664 /nfs/dbraw/zinc/01/46/64/738014664.db2.gz NPYLSEBFAZTRDJ-IRXDYDNUSA-N 2 2 344.463 0.346 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCn1cncn1 ZINC001024487155 738014669 /nfs/dbraw/zinc/01/46/69/738014669.db2.gz NPYLSEBFAZTRDJ-IRXDYDNUSA-N 2 2 344.463 0.346 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)nn1 ZINC001105275279 741621131 /nfs/dbraw/zinc/62/11/31/741621131.db2.gz JMYGBJNVWRHQGL-QGZVFWFLSA-N 2 2 344.463 0.505 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)nn1 ZINC001105275279 741621133 /nfs/dbraw/zinc/62/11/33/741621133.db2.gz JMYGBJNVWRHQGL-QGZVFWFLSA-N 2 2 344.463 0.505 20 30 ECEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261951117 743091257 /nfs/dbraw/zinc/09/12/57/743091257.db2.gz HLGUHZZPTXSHPH-CYBMUJFWSA-N 2 2 330.498 0.555 20 30 ECEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261951117 743091266 /nfs/dbraw/zinc/09/12/66/743091266.db2.gz HLGUHZZPTXSHPH-CYBMUJFWSA-N 2 2 330.498 0.555 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3cnns3)C2)CC1 ZINC001029003525 743159228 /nfs/dbraw/zinc/15/92/28/743159228.db2.gz NAOCGSGALNQJGU-CQSZACIVSA-N 2 2 347.488 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3cnns3)C2)CC1 ZINC001029003525 743159229 /nfs/dbraw/zinc/15/92/29/743159229.db2.gz NAOCGSGALNQJGU-CQSZACIVSA-N 2 2 347.488 0.821 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC000997413975 743581300 /nfs/dbraw/zinc/58/13/00/743581300.db2.gz XYYNFTNRKFYKLP-HNNXBMFYSA-N 2 2 331.420 0.251 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CCC)C2)nn1 ZINC000999995086 745153974 /nfs/dbraw/zinc/15/39/74/745153974.db2.gz CVRVRTZMQBYNJO-SJORKVTESA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@H+](CCC)C2)nn1 ZINC000999995086 745153978 /nfs/dbraw/zinc/15/39/78/745153978.db2.gz CVRVRTZMQBYNJO-SJORKVTESA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CCC)C2)nn1 ZINC000999995086 745153981 /nfs/dbraw/zinc/15/39/81/745153981.db2.gz CVRVRTZMQBYNJO-SJORKVTESA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CCC)C2)nn1 ZINC000999995086 745153984 /nfs/dbraw/zinc/15/39/84/745153984.db2.gz CVRVRTZMQBYNJO-SJORKVTESA-N 2 2 344.463 0.649 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)C1=O ZINC000977596765 745235187 /nfs/dbraw/zinc/23/51/87/745235187.db2.gz VMKBERIBLLCYCD-HZPDHXFCSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)C1=O ZINC000977596765 745235191 /nfs/dbraw/zinc/23/51/91/745235191.db2.gz VMKBERIBLLCYCD-HZPDHXFCSA-N 2 2 348.491 0.696 20 30 ECEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)[C@@H]2C1 ZINC001075820372 746383801 /nfs/dbraw/zinc/38/38/01/746383801.db2.gz YDKAFRDYTIYAKU-IAOVAPTHSA-N 2 2 327.432 0.956 20 30 ECEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)[C@@H]2C1 ZINC001075820372 746383811 /nfs/dbraw/zinc/38/38/11/746383811.db2.gz YDKAFRDYTIYAKU-IAOVAPTHSA-N 2 2 327.432 0.956 20 30 ECEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)[C@@H]2C1 ZINC001075820372 746383816 /nfs/dbraw/zinc/38/38/16/746383816.db2.gz YDKAFRDYTIYAKU-IAOVAPTHSA-N 2 2 327.432 0.956 20 30 ECEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)[C@@H]2C1 ZINC001075820372 746383820 /nfs/dbraw/zinc/38/38/20/746383820.db2.gz YDKAFRDYTIYAKU-IAOVAPTHSA-N 2 2 327.432 0.956 20 30 ECEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000978508752 746386898 /nfs/dbraw/zinc/38/68/98/746386898.db2.gz MANSUECMKMVSQR-DZVNLGKHSA-N 2 2 349.475 0.346 20 30 ECEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)[C@@H]2C1 ZINC000978508752 746386900 /nfs/dbraw/zinc/38/69/00/746386900.db2.gz MANSUECMKMVSQR-DZVNLGKHSA-N 2 2 349.475 0.346 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nnc(C)o2)C1 ZINC001029758478 748272039 /nfs/dbraw/zinc/27/20/39/748272039.db2.gz ZBKUSNXORININZ-HOTGVXAUSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnc(C)o2)C1 ZINC001029758478 748272041 /nfs/dbraw/zinc/27/20/41/748272041.db2.gz ZBKUSNXORININZ-HOTGVXAUSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2nnc(C)o2)C1 ZINC001029758478 748272043 /nfs/dbraw/zinc/27/20/43/748272043.db2.gz ZBKUSNXORININZ-HOTGVXAUSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2nnc(C)o2)C1 ZINC001029758478 748272046 /nfs/dbraw/zinc/27/20/46/748272046.db2.gz ZBKUSNXORININZ-HOTGVXAUSA-N 2 2 345.447 0.756 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001098734533 749159410 /nfs/dbraw/zinc/15/94/10/749159410.db2.gz VIQHXVVECLYMJQ-RDJZCZTQSA-N 2 2 344.463 0.506 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cnnn3C)CC2)CC1 ZINC001004206504 749315511 /nfs/dbraw/zinc/31/55/11/749315511.db2.gz CECCBXMHNOSUDG-UHFFFAOYSA-N 2 2 344.463 0.241 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC000980410246 749514601 /nfs/dbraw/zinc/51/46/01/749514601.db2.gz ZRNYBIPNMUBLHK-JKSUJKDBSA-N 2 2 345.447 0.511 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC000980410246 749514611 /nfs/dbraw/zinc/51/46/11/749514611.db2.gz ZRNYBIPNMUBLHK-JKSUJKDBSA-N 2 2 345.447 0.511 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cnon3)C2)CC1 ZINC001029909902 749562562 /nfs/dbraw/zinc/56/25/62/749562562.db2.gz RPEBRMFXQXCOFD-HNNXBMFYSA-N 2 2 345.447 0.695 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cnon3)C2)CC1 ZINC001029909902 749562566 /nfs/dbraw/zinc/56/25/66/749562566.db2.gz RPEBRMFXQXCOFD-HNNXBMFYSA-N 2 2 345.447 0.695 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2cnon2)CC1 ZINC001029971029 750153799 /nfs/dbraw/zinc/15/37/99/750153799.db2.gz DVRRDEHVKVAQLL-KRWDZBQOSA-N 2 2 345.447 0.838 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2cnon2)CC1 ZINC001029971029 750153806 /nfs/dbraw/zinc/15/38/06/750153806.db2.gz DVRRDEHVKVAQLL-KRWDZBQOSA-N 2 2 345.447 0.838 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)Cc2cnon2)CC1 ZINC001029971029 750153810 /nfs/dbraw/zinc/15/38/10/750153810.db2.gz DVRRDEHVKVAQLL-KRWDZBQOSA-N 2 2 345.447 0.838 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)Cc2cnon2)CC1 ZINC001029971029 750153815 /nfs/dbraw/zinc/15/38/15/750153815.db2.gz DVRRDEHVKVAQLL-KRWDZBQOSA-N 2 2 345.447 0.838 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001028333967 752412943 /nfs/dbraw/zinc/41/29/43/752412943.db2.gz TZROWDDNWZZRCN-GOSISDBHSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001028333967 752412951 /nfs/dbraw/zinc/41/29/51/752412951.db2.gz TZROWDDNWZZRCN-GOSISDBHSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC001028600851 753875574 /nfs/dbraw/zinc/87/55/74/753875574.db2.gz FMLDJFHJCYDFAP-AEFFLSMTSA-N 2 2 343.475 0.764 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cc(C)n(C)n2)C1 ZINC001028600851 753875580 /nfs/dbraw/zinc/87/55/80/753875580.db2.gz FMLDJFHJCYDFAP-AEFFLSMTSA-N 2 2 343.475 0.764 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001028600851 753875583 /nfs/dbraw/zinc/87/55/83/753875583.db2.gz FMLDJFHJCYDFAP-AEFFLSMTSA-N 2 2 343.475 0.764 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cc(C)n(C)n2)C1 ZINC001028600851 753875592 /nfs/dbraw/zinc/87/55/92/753875592.db2.gz FMLDJFHJCYDFAP-AEFFLSMTSA-N 2 2 343.475 0.764 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001009630431 755092425 /nfs/dbraw/zinc/09/24/25/755092425.db2.gz VMBWSGNACVWNKO-MRXNPFEDSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001009630431 755092432 /nfs/dbraw/zinc/09/24/32/755092432.db2.gz VMBWSGNACVWNKO-MRXNPFEDSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168363342 755832608 /nfs/dbraw/zinc/83/26/08/755832608.db2.gz DSFWERIRGQSJBC-UHFFFAOYSA-N 2 2 341.415 0.031 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nccn3C)C[C@@H]2C1 ZINC001048868644 757232903 /nfs/dbraw/zinc/23/29/03/757232903.db2.gz HCYVXTHROZQZOH-BBWFWOEESA-N 2 2 341.459 0.408 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nccn3C)C[C@@H]2C1 ZINC001048868644 757232904 /nfs/dbraw/zinc/23/29/04/757232904.db2.gz HCYVXTHROZQZOH-BBWFWOEESA-N 2 2 341.459 0.408 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nccn3C)C[C@@H]2C1 ZINC001048868644 757232908 /nfs/dbraw/zinc/23/29/08/757232908.db2.gz HCYVXTHROZQZOH-BBWFWOEESA-N 2 2 341.459 0.408 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nccn3C)C[C@@H]2C1 ZINC001048868644 757232926 /nfs/dbraw/zinc/23/29/26/757232926.db2.gz HCYVXTHROZQZOH-BBWFWOEESA-N 2 2 341.459 0.408 20 30 ECEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076812913 757259493 /nfs/dbraw/zinc/25/94/93/757259493.db2.gz XQHNDVYOWPHBLU-IXDOHACOSA-N 2 2 328.416 0.314 20 30 ECEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076812913 757259497 /nfs/dbraw/zinc/25/94/97/757259497.db2.gz XQHNDVYOWPHBLU-IXDOHACOSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076812913 757259505 /nfs/dbraw/zinc/25/95/05/757259505.db2.gz XQHNDVYOWPHBLU-IXDOHACOSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001076812913 757259506 /nfs/dbraw/zinc/25/95/06/757259506.db2.gz XQHNDVYOWPHBLU-IXDOHACOSA-N 2 2 328.416 0.314 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+]3CC[C@@H](C)C3)nn2)C1 ZINC001107210700 757692276 /nfs/dbraw/zinc/69/22/76/757692276.db2.gz DFTASPLZBZAFRW-CQSZACIVSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)nn2)C1 ZINC001107210700 757692285 /nfs/dbraw/zinc/69/22/85/757692285.db2.gz DFTASPLZBZAFRW-CQSZACIVSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nccs2)C1 ZINC001051660076 762617735 /nfs/dbraw/zinc/61/77/35/762617735.db2.gz KIQUYNZHZHQSEQ-CABCVRRESA-N 2 2 348.472 0.558 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nccs2)C1 ZINC001051660076 762617741 /nfs/dbraw/zinc/61/77/41/762617741.db2.gz KIQUYNZHZHQSEQ-CABCVRRESA-N 2 2 348.472 0.558 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001022220762 758441758 /nfs/dbraw/zinc/44/17/58/758441758.db2.gz NXAYSLBVGZDFGA-LZWOXQAQSA-N 2 2 330.436 0.132 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001022220762 758441764 /nfs/dbraw/zinc/44/17/64/758441764.db2.gz NXAYSLBVGZDFGA-LZWOXQAQSA-N 2 2 330.436 0.132 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001050237949 760026852 /nfs/dbraw/zinc/02/68/52/760026852.db2.gz BOZPKEMPVCLCBH-CVEARBPZSA-N 2 2 345.447 0.498 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000995927955 760791879 /nfs/dbraw/zinc/79/18/79/760791879.db2.gz ZOBKQUHGRJFSHB-LSDHHAIUSA-N 2 2 347.488 0.962 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000995927955 760791882 /nfs/dbraw/zinc/79/18/82/760791882.db2.gz ZOBKQUHGRJFSHB-LSDHHAIUSA-N 2 2 347.488 0.962 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2nc(C)nc2C)C1 ZINC001014775313 763134168 /nfs/dbraw/zinc/13/41/68/763134168.db2.gz MHXNUYQIXDLBQL-IRXDYDNUSA-N 2 2 344.463 0.183 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2nc(C)nc2C)C1 ZINC001014775313 763134173 /nfs/dbraw/zinc/13/41/73/763134173.db2.gz MHXNUYQIXDLBQL-IRXDYDNUSA-N 2 2 344.463 0.183 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2nc(C)nc2C)C1 ZINC001014775313 763134176 /nfs/dbraw/zinc/13/41/76/763134176.db2.gz MHXNUYQIXDLBQL-IRXDYDNUSA-N 2 2 344.463 0.183 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2nc(C)nc2C)C1 ZINC001014775313 763134181 /nfs/dbraw/zinc/13/41/81/763134181.db2.gz MHXNUYQIXDLBQL-IRXDYDNUSA-N 2 2 344.463 0.183 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC001014780152 763140236 /nfs/dbraw/zinc/14/02/36/763140236.db2.gz QLVSUYNKEAFASH-ZBFHGGJFSA-N 2 2 332.473 0.974 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001014780152 763140245 /nfs/dbraw/zinc/14/02/45/763140245.db2.gz QLVSUYNKEAFASH-ZBFHGGJFSA-N 2 2 332.473 0.974 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001014780152 763140247 /nfs/dbraw/zinc/14/02/47/763140247.db2.gz QLVSUYNKEAFASH-ZBFHGGJFSA-N 2 2 332.473 0.974 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001014780152 763140254 /nfs/dbraw/zinc/14/02/54/763140254.db2.gz QLVSUYNKEAFASH-ZBFHGGJFSA-N 2 2 332.473 0.974 20 30 ECEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052029924 763628285 /nfs/dbraw/zinc/62/82/85/763628285.db2.gz FIZAECYFJGNYFR-KZNAEPCWSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052029924 763628289 /nfs/dbraw/zinc/62/82/89/763628289.db2.gz FIZAECYFJGNYFR-KZNAEPCWSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071771 763773878 /nfs/dbraw/zinc/77/38/78/763773878.db2.gz ZGQAXQUXPNRABE-BZSNNMDCSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071771 763773885 /nfs/dbraw/zinc/77/38/85/763773885.db2.gz ZGQAXQUXPNRABE-BZSNNMDCSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001052091379 763831466 /nfs/dbraw/zinc/83/14/66/763831466.db2.gz BJTCWLDRDWKAGJ-LJQANCHMSA-N 2 2 346.519 0.960 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)CC1 ZINC001052119317 763936808 /nfs/dbraw/zinc/93/68/08/763936808.db2.gz OXAPRMGONNROOV-ZWKOTPCHSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001052119317 763936813 /nfs/dbraw/zinc/93/68/13/763936813.db2.gz OXAPRMGONNROOV-ZWKOTPCHSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001047453127 764393925 /nfs/dbraw/zinc/39/39/25/764393925.db2.gz NESJXFRCFZGVKB-HOTGVXAUSA-N 2 2 325.372 0.018 20 30 ECEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001047453127 764393930 /nfs/dbraw/zinc/39/39/30/764393930.db2.gz NESJXFRCFZGVKB-HOTGVXAUSA-N 2 2 325.372 0.018 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047528383 764602241 /nfs/dbraw/zinc/60/22/41/764602241.db2.gz PYWMTYLCPKXKQO-XIRDDKMYSA-N 2 2 330.432 0.281 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001047528383 764602246 /nfs/dbraw/zinc/60/22/46/764602246.db2.gz PYWMTYLCPKXKQO-XIRDDKMYSA-N 2 2 330.432 0.281 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)O2 ZINC001053700414 766619967 /nfs/dbraw/zinc/61/99/67/766619967.db2.gz UHCAPACFQUUKMS-HZPDHXFCSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700414 766619969 /nfs/dbraw/zinc/61/99/69/766619969.db2.gz UHCAPACFQUUKMS-HZPDHXFCSA-N 2 2 337.464 0.633 20 30 ECEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046034415 766715039 /nfs/dbraw/zinc/71/50/39/766715039.db2.gz VDFIHKLECLEKDU-IRXDYDNUSA-N 2 2 333.480 0.603 20 30 ECEDLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046034415 766715046 /nfs/dbraw/zinc/71/50/46/766715046.db2.gz VDFIHKLECLEKDU-IRXDYDNUSA-N 2 2 333.480 0.603 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001046036844 766729636 /nfs/dbraw/zinc/72/96/36/766729636.db2.gz HNJKDTYEEQFOBR-BRWVUGGUSA-N 2 2 341.459 0.755 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001046036844 766729640 /nfs/dbraw/zinc/72/96/40/766729640.db2.gz HNJKDTYEEQFOBR-BRWVUGGUSA-N 2 2 341.459 0.755 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001046036844 766729644 /nfs/dbraw/zinc/72/96/44/766729644.db2.gz HNJKDTYEEQFOBR-BRWVUGGUSA-N 2 2 341.459 0.755 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)C1 ZINC001046036844 766729651 /nfs/dbraw/zinc/72/96/51/766729651.db2.gz HNJKDTYEEQFOBR-BRWVUGGUSA-N 2 2 341.459 0.755 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039021 766741494 /nfs/dbraw/zinc/74/14/94/766741494.db2.gz MKQMAXSSNMNYNP-SJORKVTESA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039021 766741495 /nfs/dbraw/zinc/74/14/95/766741495.db2.gz MKQMAXSSNMNYNP-SJORKVTESA-N 2 2 343.475 0.850 20 30 ECEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001046062071 766831418 /nfs/dbraw/zinc/83/14/18/766831418.db2.gz ARXMDPMKXXEFFJ-GVDBMIGSSA-N 2 2 341.459 0.375 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001046062071 766831427 /nfs/dbraw/zinc/83/14/27/766831427.db2.gz ARXMDPMKXXEFFJ-GVDBMIGSSA-N 2 2 341.459 0.375 20 30 ECEDLP CC(C)[NH+]1CCC(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046075227 766895182 /nfs/dbraw/zinc/89/51/82/766895182.db2.gz PULNIQKRFDUUQP-GOSISDBHSA-N 2 2 347.507 0.849 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001031777213 767187159 /nfs/dbraw/zinc/18/71/59/767187159.db2.gz YRRXJTNOFFLWIH-JKSUJKDBSA-N 2 2 334.464 0.306 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001031777213 767187160 /nfs/dbraw/zinc/18/71/60/767187160.db2.gz YRRXJTNOFFLWIH-JKSUJKDBSA-N 2 2 334.464 0.306 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1occc1C[NH+](C)C)CO2 ZINC001053907928 767327393 /nfs/dbraw/zinc/32/73/93/767327393.db2.gz GQKVHYXWTNHHKG-OAHLLOKOSA-N 2 2 331.416 0.938 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH+]([C@H](C)COC)C3)C2)CC1 ZINC001054014471 767600574 /nfs/dbraw/zinc/60/05/74/767600574.db2.gz BJHJYHMFUOPUIZ-NVXWUHKLSA-N 2 2 349.475 0.326 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2COC3(C[NH+](C[C@H](C)OC)C3)C2)CC1 ZINC001054016153 767606117 /nfs/dbraw/zinc/60/61/17/767606117.db2.gz VVZNUIWMOJTPIN-RDJZCZTQSA-N 2 2 349.475 0.326 20 30 ECEDLP C#CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001054058978 767656115 /nfs/dbraw/zinc/65/61/15/767656115.db2.gz CIDJEXSWEDBLBP-RTBURBONSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001054058978 767656118 /nfs/dbraw/zinc/65/61/18/767656118.db2.gz CIDJEXSWEDBLBP-RTBURBONSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001054058978 767656121 /nfs/dbraw/zinc/65/61/21/767656121.db2.gz CIDJEXSWEDBLBP-RTBURBONSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001054058978 767656126 /nfs/dbraw/zinc/65/61/26/767656126.db2.gz CIDJEXSWEDBLBP-RTBURBONSA-N 2 2 341.455 0.883 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780758 767816656 /nfs/dbraw/zinc/81/66/56/767816656.db2.gz ZEFCJGWYEALQTN-ZBFHGGJFSA-N 2 2 330.436 0.116 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780758 767816662 /nfs/dbraw/zinc/81/66/62/767816662.db2.gz ZEFCJGWYEALQTN-ZBFHGGJFSA-N 2 2 330.436 0.116 20 30 ECEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001106621530 768520045 /nfs/dbraw/zinc/52/00/45/768520045.db2.gz PSLQMAHCWVDJQA-XPKDYRNWSA-N 2 2 333.436 0.327 20 30 ECEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001106621530 768520049 /nfs/dbraw/zinc/52/00/49/768520049.db2.gz PSLQMAHCWVDJQA-XPKDYRNWSA-N 2 2 333.436 0.327 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001018783567 769935033 /nfs/dbraw/zinc/93/50/33/769935033.db2.gz QUPMOSKSRBSGAL-UONOGXRCSA-N 2 2 331.420 0.320 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001018985712 770483494 /nfs/dbraw/zinc/48/34/94/770483494.db2.gz AKQCHNXXWDQQTK-ILXRZTDVSA-N 2 2 330.436 0.164 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001018985712 770483500 /nfs/dbraw/zinc/48/35/00/770483500.db2.gz AKQCHNXXWDQQTK-ILXRZTDVSA-N 2 2 330.436 0.164 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC001018985762 770484284 /nfs/dbraw/zinc/48/42/84/770484284.db2.gz DEDIHCFXXMPYCR-GJZGRUSLSA-N 2 2 345.447 0.981 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)C)no2)C1 ZINC001018985762 770484287 /nfs/dbraw/zinc/48/42/87/770484287.db2.gz DEDIHCFXXMPYCR-GJZGRUSLSA-N 2 2 345.447 0.981 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001020368366 772500631 /nfs/dbraw/zinc/50/06/31/772500631.db2.gz IZJNWJUCNXYTSZ-NXOAAHMSSA-N 2 2 348.491 0.530 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001020368366 772500633 /nfs/dbraw/zinc/50/06/33/772500633.db2.gz IZJNWJUCNXYTSZ-NXOAAHMSSA-N 2 2 348.491 0.530 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH+]cn2C)C1=O ZINC001045276538 775298949 /nfs/dbraw/zinc/29/89/49/775298949.db2.gz XVGJJRKBTOWWMA-HOCLYGCPSA-N 2 2 345.447 0.330 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079176757 780854333 /nfs/dbraw/zinc/85/43/33/780854333.db2.gz PTRVEUQROYTNCO-KSZLIROESA-N 2 2 345.418 0.674 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079176757 780854341 /nfs/dbraw/zinc/85/43/41/780854341.db2.gz PTRVEUQROYTNCO-KSZLIROESA-N 2 2 345.418 0.674 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001070317421 783824781 /nfs/dbraw/zinc/82/47/81/783824781.db2.gz PZUXKRMWQHMRPN-CABCVRRESA-N 2 2 329.408 0.470 20 30 ECEDLP C#CC[NH+]1CC2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070452306 784115418 /nfs/dbraw/zinc/11/54/18/784115418.db2.gz ZFBFMARSDIRUFQ-OAHLLOKOSA-N 2 2 342.447 0.070 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001070488935 784180687 /nfs/dbraw/zinc/18/06/87/784180687.db2.gz MDKMNQKYNIDAJX-DZGCQCFKSA-N 2 2 328.420 0.846 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cn(C)cn1 ZINC001070516602 784218414 /nfs/dbraw/zinc/21/84/14/784218414.db2.gz KAMGHKVMUOKLKR-GOEBONIOSA-N 2 2 340.431 0.304 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001070977760 784296935 /nfs/dbraw/zinc/29/69/35/784296935.db2.gz GXBFKUNUBCMFFJ-UHFFFAOYSA-N 2 2 346.475 0.289 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001070977760 784296944 /nfs/dbraw/zinc/29/69/44/784296944.db2.gz GXBFKUNUBCMFFJ-UHFFFAOYSA-N 2 2 346.475 0.289 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001070979846 784304834 /nfs/dbraw/zinc/30/48/34/784304834.db2.gz BEMCYPKVWAGAOA-UHFFFAOYSA-N 2 2 333.436 0.418 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001070979846 784304843 /nfs/dbraw/zinc/30/48/43/784304843.db2.gz BEMCYPKVWAGAOA-UHFFFAOYSA-N 2 2 333.436 0.418 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCC#N ZINC001070649191 784496251 /nfs/dbraw/zinc/49/62/51/784496251.db2.gz UAIBIIGUHOFQJS-BZUAXINKSA-N 2 2 342.447 0.169 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001070710546 784580098 /nfs/dbraw/zinc/58/00/98/784580098.db2.gz GMMYAZXCKNEABU-HUUCEWRRSA-N 2 2 328.420 0.466 20 30 ECEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071218059 784760881 /nfs/dbraw/zinc/76/08/81/784760881.db2.gz IEEGUOCEGTVPCM-SJLPKXTDSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071218059 784760887 /nfs/dbraw/zinc/76/08/87/784760887.db2.gz IEEGUOCEGTVPCM-SJLPKXTDSA-N 2 2 335.448 0.034 20 30 ECEDLP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@H](C)O2 ZINC001071226170 784784193 /nfs/dbraw/zinc/78/41/93/784784193.db2.gz VMOAICNNPDFIGP-YJBOKZPZSA-N 2 2 330.432 0.678 20 30 ECEDLP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@H](C)O2 ZINC001071226170 784784204 /nfs/dbraw/zinc/78/42/04/784784204.db2.gz VMOAICNNPDFIGP-YJBOKZPZSA-N 2 2 330.432 0.678 20 30 ECEDLP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071226091 784784401 /nfs/dbraw/zinc/78/44/01/784784401.db2.gz UZDUMTDLHHVMSF-CRAIPNDOSA-N 2 2 330.432 0.678 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071226091 784784405 /nfs/dbraw/zinc/78/44/05/784784405.db2.gz UZDUMTDLHHVMSF-CRAIPNDOSA-N 2 2 330.432 0.678 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071240710 784813103 /nfs/dbraw/zinc/81/31/03/784813103.db2.gz JTJWUQKVFIGMOZ-MAUKXSAKSA-N 2 2 330.432 0.907 20 30 ECEDLP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071240710 784813114 /nfs/dbraw/zinc/81/31/14/784813114.db2.gz JTJWUQKVFIGMOZ-MAUKXSAKSA-N 2 2 330.432 0.907 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC001267474596 837500595 /nfs/dbraw/zinc/50/05/95/837500595.db2.gz VDZLRNBAVZRJMI-UHFFFAOYSA-N 2 2 345.447 0.840 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266601870 836035331 /nfs/dbraw/zinc/03/53/31/836035331.db2.gz OOKWBOVUGNEKST-AJNGGQMLSA-N 2 2 345.447 0.373 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1nnnn1C1CC1 ZINC001266728784 836207915 /nfs/dbraw/zinc/20/79/15/836207915.db2.gz LEPSGYOSBBTHNZ-HIFRSBDPSA-N 2 2 345.451 0.215 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1nnnn1C1CC1 ZINC001266728784 836207923 /nfs/dbraw/zinc/20/79/23/836207923.db2.gz LEPSGYOSBBTHNZ-HIFRSBDPSA-N 2 2 345.451 0.215 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001266770447 836280438 /nfs/dbraw/zinc/28/04/38/836280438.db2.gz WGAPQRUKCGGVAU-INIZCTEOSA-N 2 2 345.447 0.241 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001266770447 836280452 /nfs/dbraw/zinc/28/04/52/836280452.db2.gz WGAPQRUKCGGVAU-INIZCTEOSA-N 2 2 345.447 0.241 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001266895626 836447049 /nfs/dbraw/zinc/44/70/49/836447049.db2.gz QNKQDZMOLPMYDN-HOTGVXAUSA-N 2 2 345.447 0.239 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001266895626 836447058 /nfs/dbraw/zinc/44/70/58/836447058.db2.gz QNKQDZMOLPMYDN-HOTGVXAUSA-N 2 2 345.447 0.239 20 30 ECEDLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267094551 836752730 /nfs/dbraw/zinc/75/27/30/836752730.db2.gz URGIURIRCJCHQK-KGLIPLIRSA-N 2 2 346.435 0.009 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001267615797 837999191 /nfs/dbraw/zinc/99/91/91/837999191.db2.gz UTKBIYSROXULRE-HUUCEWRRSA-N 2 2 334.464 0.189 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001267615797 837999197 /nfs/dbraw/zinc/99/91/97/837999197.db2.gz UTKBIYSROXULRE-HUUCEWRRSA-N 2 2 334.464 0.189 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267615797 837999201 /nfs/dbraw/zinc/99/92/01/837999201.db2.gz UTKBIYSROXULRE-HUUCEWRRSA-N 2 2 334.464 0.189 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267615797 837999208 /nfs/dbraw/zinc/99/92/08/837999208.db2.gz UTKBIYSROXULRE-HUUCEWRRSA-N 2 2 334.464 0.189 20 30 ECEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267630129 838086656 /nfs/dbraw/zinc/08/66/56/838086656.db2.gz ZTBXLVFFUYKQFV-SJORKVTESA-N 2 2 344.459 0.984 20 30 ECEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267630129 838086661 /nfs/dbraw/zinc/08/66/61/838086661.db2.gz ZTBXLVFFUYKQFV-SJORKVTESA-N 2 2 344.459 0.984 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NC1CC[NH+](C2CC2)CC1 ZINC000262767582 277750499 /nfs/dbraw/zinc/75/04/99/277750499.db2.gz GQUJOTPNNWLKQA-UHFFFAOYSA-N 3 2 325.526 0.827 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)Cc2ccccc2C)CC1 ZINC000080291966 436316768 /nfs/dbraw/zinc/31/67/68/436316768.db2.gz QCGAJOLIZIUHHU-UHFFFAOYSA-N 2 2 328.416 0.604 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)NCCCC)CC2)CC1 ZINC000081671284 436354784 /nfs/dbraw/zinc/35/47/84/436354784.db2.gz PLZMSHLRWUUFJT-UHFFFAOYSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000108865492 436621343 /nfs/dbraw/zinc/62/13/43/436621343.db2.gz XUDLJTYNPNNHKA-SFHVURJKSA-N 2 2 342.487 0.874 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000108865492 436621344 /nfs/dbraw/zinc/62/13/44/436621344.db2.gz XUDLJTYNPNNHKA-SFHVURJKSA-N 2 2 342.487 0.874 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000112904099 436634696 /nfs/dbraw/zinc/63/46/96/436634696.db2.gz YDVKYIJHGHFFAT-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000112904099 436634698 /nfs/dbraw/zinc/63/46/98/436634698.db2.gz YDVKYIJHGHFFAT-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000112904099 436634700 /nfs/dbraw/zinc/63/47/00/436634700.db2.gz YDVKYIJHGHFFAT-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000245415053 436762795 /nfs/dbraw/zinc/76/27/95/436762795.db2.gz CXOGGBXLMWHUKO-MJGOQNOKSA-N 2 2 347.507 0.897 20 30 ECEDLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000245415053 436762799 /nfs/dbraw/zinc/76/27/99/436762799.db2.gz CXOGGBXLMWHUKO-MJGOQNOKSA-N 2 2 347.507 0.897 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126451267 436787825 /nfs/dbraw/zinc/78/78/25/436787825.db2.gz OKJZJUHWIGJPPK-MRXNPFEDSA-N 2 2 337.512 0.952 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126451267 436787826 /nfs/dbraw/zinc/78/78/26/436787826.db2.gz OKJZJUHWIGJPPK-MRXNPFEDSA-N 2 2 337.512 0.952 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126451267 436787828 /nfs/dbraw/zinc/78/78/28/436787828.db2.gz OKJZJUHWIGJPPK-MRXNPFEDSA-N 2 2 337.512 0.952 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126451267 436787831 /nfs/dbraw/zinc/78/78/31/436787831.db2.gz OKJZJUHWIGJPPK-MRXNPFEDSA-N 2 2 337.512 0.952 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000158987693 436851861 /nfs/dbraw/zinc/85/18/61/436851861.db2.gz YWLCEBFGKVWFJW-QGZVFWFLSA-N 2 2 335.496 0.850 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000158987693 436851866 /nfs/dbraw/zinc/85/18/66/436851866.db2.gz YWLCEBFGKVWFJW-QGZVFWFLSA-N 2 2 335.496 0.850 20 30 ECEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1[nH]c2ccccc2[nH+]1 ZINC000264079130 437015949 /nfs/dbraw/zinc/01/59/49/437015949.db2.gz HZSXOHNESITMKO-UHFFFAOYSA-N 3 2 330.436 0.732 20 30 ECEDLP [NH2+]=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCOCC1 ZINC000264087032 437017034 /nfs/dbraw/zinc/01/70/34/437017034.db2.gz JVNIQLRGPMHZJO-UHFFFAOYSA-N 2 2 348.447 0.545 20 30 ECEDLP CCOCCCNC(=[NH2+])NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000303895077 437158113 /nfs/dbraw/zinc/15/81/13/437158113.db2.gz SWIYQODXSLHFPN-HNNXBMFYSA-N 2 2 330.498 0.525 20 30 ECEDLP C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332055327 437202606 /nfs/dbraw/zinc/20/26/06/437202606.db2.gz OIWCLLZRHIXHPZ-GJZGRUSLSA-N 2 2 347.463 0.176 20 30 ECEDLP C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332055327 437202607 /nfs/dbraw/zinc/20/26/07/437202607.db2.gz OIWCLLZRHIXHPZ-GJZGRUSLSA-N 2 2 347.463 0.176 20 30 ECEDLP C[NH+]1CCN(C(=O)CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000332541295 437228717 /nfs/dbraw/zinc/22/87/17/437228717.db2.gz XBKDGDRCCLRUKA-UHFFFAOYSA-N 2 2 341.459 0.450 20 30 ECEDLP C#CC[NH+]1CCC(c2nc(CC(=O)N3CC[NH+](C)CC3)no2)CC1 ZINC000277856921 437259238 /nfs/dbraw/zinc/25/92/38/437259238.db2.gz LZRIPXHWBIPGLO-UHFFFAOYSA-N 2 2 331.420 0.199 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C1=O ZINC000328858869 437273599 /nfs/dbraw/zinc/27/35/99/437273599.db2.gz YKYUUTYCRWRQHK-CQSZACIVSA-N 2 2 330.436 0.452 20 30 ECEDLP C[N@@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000330174704 437464916 /nfs/dbraw/zinc/46/49/16/437464916.db2.gz IMSVRSVTAVAEGW-OAGGEKHMSA-N 2 2 340.468 0.198 20 30 ECEDLP C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000330174704 437464920 /nfs/dbraw/zinc/46/49/20/437464920.db2.gz IMSVRSVTAVAEGW-OAGGEKHMSA-N 2 2 340.468 0.198 20 30 ECEDLP C[NH+](CC#CC[N@@H+](C)C[C@H](O)C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000341908115 437923191 /nfs/dbraw/zinc/92/31/91/437923191.db2.gz LVPAYZZHBNSIRW-UWVGGRQHSA-N 2 2 336.276 0.700 20 30 ECEDLP C[NH+](CC#CC[N@H+](C)C[C@H](O)C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000341908115 437923197 /nfs/dbraw/zinc/92/31/97/437923197.db2.gz LVPAYZZHBNSIRW-UWVGGRQHSA-N 2 2 336.276 0.700 20 30 ECEDLP N#CCCC[C@@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000424158985 437896147 /nfs/dbraw/zinc/89/61/47/437896147.db2.gz RTGPNLIEYSWPNK-UKRRQHHQSA-N 2 2 326.466 0.332 20 30 ECEDLP C=C(C)CN(C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000357766413 438064280 /nfs/dbraw/zinc/06/42/80/438064280.db2.gz GYBXVYVWYYPQCS-UHFFFAOYSA-N 2 2 336.480 0.696 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372333618 438072491 /nfs/dbraw/zinc/07/24/91/438072491.db2.gz RHJCLBJTEYRRQI-SJORKVTESA-N 2 2 335.496 0.706 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372333618 438072495 /nfs/dbraw/zinc/07/24/95/438072495.db2.gz RHJCLBJTEYRRQI-SJORKVTESA-N 2 2 335.496 0.706 20 30 ECEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)NCC#N ZINC000430927625 438131773 /nfs/dbraw/zinc/13/17/73/438131773.db2.gz JANMVBBGCFNAKP-UHFFFAOYSA-N 3 2 335.496 0.754 20 30 ECEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(=O)NCC#N ZINC000430927625 438131777 /nfs/dbraw/zinc/13/17/77/438131777.db2.gz JANMVBBGCFNAKP-UHFFFAOYSA-N 3 2 335.496 0.754 20 30 ECEDLP C=CCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000433148118 438227565 /nfs/dbraw/zinc/22/75/65/438227565.db2.gz FVARZCYJAHTVKT-HNNXBMFYSA-N 2 2 343.493 0.391 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000369280557 438449415 /nfs/dbraw/zinc/44/94/15/438449415.db2.gz RHQRZAGXIBHJKY-KRWDZBQOSA-N 3 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000369280557 438449419 /nfs/dbraw/zinc/44/94/19/438449419.db2.gz RHQRZAGXIBHJKY-KRWDZBQOSA-N 3 2 346.519 0.959 20 30 ECEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000556645594 438785276 /nfs/dbraw/zinc/78/52/76/438785276.db2.gz ADXCYPNAMDPADG-UHFFFAOYSA-N 2 2 347.463 0.936 20 30 ECEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCN(CCC#N)CC2)CC1 ZINC000602286020 439058257 /nfs/dbraw/zinc/05/82/57/439058257.db2.gz ARRJNAHICGVJDV-UHFFFAOYSA-N 2 2 336.484 0.253 20 30 ECEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000519176850 439024925 /nfs/dbraw/zinc/02/49/25/439024925.db2.gz LIAGITFMYCGBKS-MRXNPFEDSA-N 2 2 332.448 0.878 20 30 ECEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000519176850 439024929 /nfs/dbraw/zinc/02/49/29/439024929.db2.gz LIAGITFMYCGBKS-MRXNPFEDSA-N 2 2 332.448 0.878 20 30 ECEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000580553220 439104355 /nfs/dbraw/zinc/10/43/55/439104355.db2.gz XOJLCQKNPCCARF-DLBZAZTESA-N 2 2 333.432 0.998 20 30 ECEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000580553220 439104359 /nfs/dbraw/zinc/10/43/59/439104359.db2.gz XOJLCQKNPCCARF-DLBZAZTESA-N 2 2 333.432 0.998 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000591726548 439077943 /nfs/dbraw/zinc/07/79/43/439077943.db2.gz KYOJRHLDNDDJEQ-LSDHHAIUSA-N 2 2 334.445 0.943 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000591726548 439077945 /nfs/dbraw/zinc/07/79/45/439077945.db2.gz KYOJRHLDNDDJEQ-LSDHHAIUSA-N 2 2 334.445 0.943 20 30 ECEDLP N#Cc1cnn2c1NC[C@@H](C[NH+]1CCN(Cc3[nH]cc[nH+]3)CC1)C2 ZINC000592501247 439239717 /nfs/dbraw/zinc/23/97/17/439239717.db2.gz MROQAQMOACAVQH-ZDUSSCGKSA-N 2 2 326.408 0.337 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCOc2ccc(OC)cc2)CC1 ZINC000490778519 439298997 /nfs/dbraw/zinc/29/89/97/439298997.db2.gz GRNHYLMNVOYMLE-UHFFFAOYSA-N 2 2 345.443 0.783 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCOc2ccc(OC)cc2)CC1 ZINC000490778519 439299002 /nfs/dbraw/zinc/29/90/02/439299002.db2.gz GRNHYLMNVOYMLE-UHFFFAOYSA-N 2 2 345.443 0.783 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(C(=O)N(C)C)CCCCC2)CC1 ZINC000491543348 439403329 /nfs/dbraw/zinc/40/33/29/439403329.db2.gz GCIXVHZHXGAZGI-UHFFFAOYSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000491645609 439418748 /nfs/dbraw/zinc/41/87/48/439418748.db2.gz PHSRIMCNBKPLOX-SFHVURJKSA-N 2 2 329.444 0.299 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000491645609 439418753 /nfs/dbraw/zinc/41/87/53/439418753.db2.gz PHSRIMCNBKPLOX-SFHVURJKSA-N 2 2 329.444 0.299 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)CC1 ZINC000491724407 439435871 /nfs/dbraw/zinc/43/58/71/439435871.db2.gz BIDZEXJHBQQCBM-QGZVFWFLSA-N 2 2 342.443 0.312 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)CC1 ZINC000491724407 439435875 /nfs/dbraw/zinc/43/58/75/439435875.db2.gz BIDZEXJHBQQCBM-QGZVFWFLSA-N 2 2 342.443 0.312 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000491746467 439440285 /nfs/dbraw/zinc/44/02/85/439440285.db2.gz LNFLPPMCPRSABY-QGZVFWFLSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000491746467 439440291 /nfs/dbraw/zinc/44/02/91/439440291.db2.gz LNFLPPMCPRSABY-QGZVFWFLSA-N 2 2 332.492 0.570 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593881831 439485508 /nfs/dbraw/zinc/48/55/08/439485508.db2.gz CZZMUUMAVOGMCT-GOSISDBHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593881831 439485514 /nfs/dbraw/zinc/48/55/14/439485514.db2.gz CZZMUUMAVOGMCT-GOSISDBHSA-N 2 2 342.443 0.969 20 30 ECEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000584419027 439587683 /nfs/dbraw/zinc/58/76/83/439587683.db2.gz SMAVYCYEFSNUSZ-JKSUJKDBSA-N 2 2 334.420 0.345 20 30 ECEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000584419027 439587686 /nfs/dbraw/zinc/58/76/86/439587686.db2.gz SMAVYCYEFSNUSZ-JKSUJKDBSA-N 2 2 334.420 0.345 20 30 ECEDLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000584419027 439587690 /nfs/dbraw/zinc/58/76/90/439587690.db2.gz SMAVYCYEFSNUSZ-JKSUJKDBSA-N 2 2 334.420 0.345 20 30 ECEDLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000584419027 439587694 /nfs/dbraw/zinc/58/76/94/439587694.db2.gz SMAVYCYEFSNUSZ-JKSUJKDBSA-N 2 2 334.420 0.345 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1sccc1C#N ZINC000595126421 439658760 /nfs/dbraw/zinc/65/87/60/439658760.db2.gz XCANJMUVTLDUBX-UHFFFAOYSA-N 2 2 337.449 0.558 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1sccc1C#N ZINC000595126421 439658763 /nfs/dbraw/zinc/65/87/63/439658763.db2.gz XCANJMUVTLDUBX-UHFFFAOYSA-N 2 2 337.449 0.558 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000600751496 439699420 /nfs/dbraw/zinc/69/94/20/439699420.db2.gz CLIHROCFIDCXIL-WBVHZDCISA-N 2 2 346.431 0.227 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000600751496 439699425 /nfs/dbraw/zinc/69/94/25/439699425.db2.gz CLIHROCFIDCXIL-WBVHZDCISA-N 2 2 346.431 0.227 20 30 ECEDLP C=CCCn1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000655937173 440653039 /nfs/dbraw/zinc/65/30/39/440653039.db2.gz VBQBJBOWLIGANP-OAHLLOKOSA-N 2 2 332.452 0.498 20 30 ECEDLP C=CCCn1cc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nn1 ZINC000655937173 440653045 /nfs/dbraw/zinc/65/30/45/440653045.db2.gz VBQBJBOWLIGANP-OAHLLOKOSA-N 2 2 332.452 0.498 20 30 ECEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000329484067 546025258 /nfs/dbraw/zinc/02/52/58/546025258.db2.gz QHKKMGCRRBDSKA-INIZCTEOSA-N 2 2 346.479 0.931 20 30 ECEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000329484067 546025259 /nfs/dbraw/zinc/02/52/59/546025259.db2.gz QHKKMGCRRBDSKA-INIZCTEOSA-N 2 2 346.479 0.931 20 30 ECEDLP C=C(CNC(=O)C[NH+]1CC(C)(C)C1)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000620749839 546451443 /nfs/dbraw/zinc/45/14/43/546451443.db2.gz PEDPVCDJJSQAQF-UHFFFAOYSA-N 2 2 336.480 0.459 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)C(=O)Nc2ccccc2)CC1 ZINC000766924813 579097227 /nfs/dbraw/zinc/09/72/27/579097227.db2.gz OIMRBDWJRSXUEU-UHFFFAOYSA-N 2 2 342.443 0.771 20 30 ECEDLP C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000773311789 579224561 /nfs/dbraw/zinc/22/45/61/579224561.db2.gz OFNVVOUSWGEQGZ-HYVNUMGLSA-N 2 2 334.464 0.635 20 30 ECEDLP C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000773311789 579224563 /nfs/dbraw/zinc/22/45/63/579224563.db2.gz OFNVVOUSWGEQGZ-HYVNUMGLSA-N 2 2 334.464 0.635 20 30 ECEDLP C#C[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCCO1 ZINC000775793654 579271377 /nfs/dbraw/zinc/27/13/77/579271377.db2.gz WPERHFJCZOEDAS-IXDOHACOSA-N 2 2 337.464 0.230 20 30 ECEDLP C#C[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@H]1CCCO1 ZINC000775793654 579271378 /nfs/dbraw/zinc/27/13/78/579271378.db2.gz WPERHFJCZOEDAS-IXDOHACOSA-N 2 2 337.464 0.230 20 30 ECEDLP C#C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000776232976 579278412 /nfs/dbraw/zinc/27/84/12/579278412.db2.gz UUOCCRAZKSPHTD-IAGOWNOFSA-N 2 2 336.480 0.835 20 30 ECEDLP C#C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000776232976 579278413 /nfs/dbraw/zinc/27/84/13/579278413.db2.gz UUOCCRAZKSPHTD-IAGOWNOFSA-N 2 2 336.480 0.835 20 30 ECEDLP NC(=[NH+]OCC1(CO)COC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000761847695 579532399 /nfs/dbraw/zinc/53/23/99/579532399.db2.gz BLPHTRWRBGHXKY-UHFFFAOYSA-N 2 2 335.404 0.165 20 30 ECEDLP C#CCC[NH+]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000764816102 579580328 /nfs/dbraw/zinc/58/03/28/579580328.db2.gz JDQFXJBWRZORKA-MRXNPFEDSA-N 2 2 329.448 0.973 20 30 ECEDLP CC(C)C#CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000826662696 588076211 /nfs/dbraw/zinc/07/62/11/588076211.db2.gz MSPZSAXWBZRBMG-UHFFFAOYSA-N 2 2 348.491 0.343 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)CC1 ZINC000847079193 589235032 /nfs/dbraw/zinc/23/50/32/589235032.db2.gz WFXVVEPIJXNOSJ-INIZCTEOSA-N 2 2 337.464 0.720 20 30 ECEDLP C=CCCn1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)nn1 ZINC000866712512 589762183 /nfs/dbraw/zinc/76/21/83/589762183.db2.gz VBPUYQWTAAARMY-KFWWJZLASA-N 2 2 332.408 0.221 20 30 ECEDLP C=CCCn1cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)nn1 ZINC000866712512 589762184 /nfs/dbraw/zinc/76/21/84/589762184.db2.gz VBPUYQWTAAARMY-KFWWJZLASA-N 2 2 332.408 0.221 20 30 ECEDLP CN(C(=O)[C@]1(C#N)CCCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865728806 590155866 /nfs/dbraw/zinc/15/58/66/590155866.db2.gz YZADOQQPOXNQPT-AEFFLSMTSA-N 2 2 334.464 0.934 20 30 ECEDLP CN(C(=O)[C@]1(C#N)CCCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865728806 590155867 /nfs/dbraw/zinc/15/58/67/590155867.db2.gz YZADOQQPOXNQPT-AEFFLSMTSA-N 2 2 334.464 0.934 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000876715055 590402010 /nfs/dbraw/zinc/40/20/10/590402010.db2.gz GLQKASKUZAXEJE-YPMHNXCESA-N 2 2 328.844 0.268 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000884273111 590793308 /nfs/dbraw/zinc/79/33/08/590793308.db2.gz JLZBRVNBPLSBBP-SJORKVTESA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000884273111 590793311 /nfs/dbraw/zinc/79/33/11/590793311.db2.gz JLZBRVNBPLSBBP-SJORKVTESA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000884273111 590793312 /nfs/dbraw/zinc/79/33/12/590793312.db2.gz JLZBRVNBPLSBBP-SJORKVTESA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000884273111 590793315 /nfs/dbraw/zinc/79/33/15/590793315.db2.gz JLZBRVNBPLSBBP-SJORKVTESA-N 2 2 335.496 0.409 20 30 ECEDLP Cc1nc(N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)cc[nH+]1 ZINC000884316179 590802864 /nfs/dbraw/zinc/80/28/64/590802864.db2.gz LQKLCGITQYHJGT-CSLYMUCUSA-N 2 2 340.431 0.573 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000887133282 590946532 /nfs/dbraw/zinc/94/65/32/590946532.db2.gz YABDFKLRIUQNGE-KRWDZBQOSA-N 2 2 341.459 0.370 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000887133282 590946533 /nfs/dbraw/zinc/94/65/33/590946533.db2.gz YABDFKLRIUQNGE-KRWDZBQOSA-N 2 2 341.459 0.370 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000887666081 590989034 /nfs/dbraw/zinc/98/90/34/590989034.db2.gz DUYHUSXDDXZRQQ-INIZCTEOSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000887666081 590989036 /nfs/dbraw/zinc/98/90/36/590989036.db2.gz DUYHUSXDDXZRQQ-INIZCTEOSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000887666081 590989038 /nfs/dbraw/zinc/98/90/38/590989038.db2.gz DUYHUSXDDXZRQQ-INIZCTEOSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1 ZINC000890364720 591151853 /nfs/dbraw/zinc/15/18/53/591151853.db2.gz HDQSISHXQOXDJX-KRWDZBQOSA-N 2 2 337.512 0.609 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000890364720 591151854 /nfs/dbraw/zinc/15/18/54/591151854.db2.gz HDQSISHXQOXDJX-KRWDZBQOSA-N 2 2 337.512 0.609 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000890364720 591151855 /nfs/dbraw/zinc/15/18/55/591151855.db2.gz HDQSISHXQOXDJX-KRWDZBQOSA-N 2 2 337.512 0.609 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000890364720 591151856 /nfs/dbraw/zinc/15/18/56/591151856.db2.gz HDQSISHXQOXDJX-KRWDZBQOSA-N 2 2 337.512 0.609 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000890364720 591151857 /nfs/dbraw/zinc/15/18/57/591151857.db2.gz HDQSISHXQOXDJX-KRWDZBQOSA-N 2 2 337.512 0.609 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000890364720 591151858 /nfs/dbraw/zinc/15/18/58/591151858.db2.gz HDQSISHXQOXDJX-KRWDZBQOSA-N 2 2 337.512 0.609 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000912993078 610028472 /nfs/dbraw/zinc/02/84/72/610028472.db2.gz QHZKZJUIRUBROV-KRWDZBQOSA-N 2 2 325.453 0.226 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000912993078 610028475 /nfs/dbraw/zinc/02/84/75/610028475.db2.gz QHZKZJUIRUBROV-KRWDZBQOSA-N 2 2 325.453 0.226 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC000941532005 610363615 /nfs/dbraw/zinc/36/36/15/610363615.db2.gz PCWLDYHVYIJIJZ-SFHVURJKSA-N 2 2 346.519 0.960 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941532005 610363616 /nfs/dbraw/zinc/36/36/16/610363616.db2.gz PCWLDYHVYIJIJZ-SFHVURJKSA-N 2 2 346.519 0.960 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)C1 ZINC000941636834 610422947 /nfs/dbraw/zinc/42/29/47/610422947.db2.gz VVBXIGACHHNHSH-SJORKVTESA-N 2 2 332.492 0.568 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)C1 ZINC000941677763 610450335 /nfs/dbraw/zinc/45/03/35/610450335.db2.gz VOBCKKXEYNNRIU-LJQANCHMSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CCC[N@@H+]1CCOC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000949518590 612018397 /nfs/dbraw/zinc/01/83/97/612018397.db2.gz ZVVJIUHQOQVCIV-UHFFFAOYSA-N 2 2 330.432 0.977 20 30 ECEDLP C#CCC[N@H+]1CCOC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000949518590 612018398 /nfs/dbraw/zinc/01/83/98/612018398.db2.gz ZVVJIUHQOQVCIV-UHFFFAOYSA-N 2 2 330.432 0.977 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1cc(C)[nH+]c(C)n1 ZINC001111582774 731481076 /nfs/dbraw/zinc/48/10/76/731481076.db2.gz NKKAPQGQUMXCLG-INIZCTEOSA-N 2 2 345.447 0.424 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNc1cc(C)[nH+]c(C)n1 ZINC001111582774 731481077 /nfs/dbraw/zinc/48/10/77/731481077.db2.gz NKKAPQGQUMXCLG-INIZCTEOSA-N 2 2 345.447 0.424 20 30 ECEDLP C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971270100 734412739 /nfs/dbraw/zinc/41/27/39/734412739.db2.gz DIAGBUSYDQMCGM-MSOLQXFVSA-N 2 2 342.443 0.922 20 30 ECEDLP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971270100 734412741 /nfs/dbraw/zinc/41/27/41/734412741.db2.gz DIAGBUSYDQMCGM-MSOLQXFVSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971270100 734412743 /nfs/dbraw/zinc/41/27/43/734412743.db2.gz DIAGBUSYDQMCGM-MSOLQXFVSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971270100 734412745 /nfs/dbraw/zinc/41/27/45/734412745.db2.gz DIAGBUSYDQMCGM-MSOLQXFVSA-N 2 2 342.443 0.922 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC000971434498 734587758 /nfs/dbraw/zinc/58/77/58/734587758.db2.gz YCZXMILGUWNKGN-CABCVRRESA-N 2 2 345.447 0.662 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC000971434498 734587762 /nfs/dbraw/zinc/58/77/62/734587762.db2.gz YCZXMILGUWNKGN-CABCVRRESA-N 2 2 345.447 0.662 20 30 ECEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC001083224931 735077351 /nfs/dbraw/zinc/07/73/51/735077351.db2.gz XJFCBQVETQUNSJ-ZWKOTPCHSA-N 2 2 327.428 0.907 20 30 ECEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC001083224931 735077353 /nfs/dbraw/zinc/07/73/53/735077353.db2.gz XJFCBQVETQUNSJ-ZWKOTPCHSA-N 2 2 327.428 0.907 20 30 ECEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972518429 736539145 /nfs/dbraw/zinc/53/91/45/736539145.db2.gz IVUQLKFBDJVQCD-WMZOPIPTSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972518429 736539147 /nfs/dbraw/zinc/53/91/47/736539147.db2.gz IVUQLKFBDJVQCD-WMZOPIPTSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972518429 736539149 /nfs/dbraw/zinc/53/91/49/736539149.db2.gz IVUQLKFBDJVQCD-WMZOPIPTSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972518429 736539152 /nfs/dbraw/zinc/53/91/52/736539152.db2.gz IVUQLKFBDJVQCD-WMZOPIPTSA-N 2 2 337.464 0.585 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023502919 736928049 /nfs/dbraw/zinc/92/80/49/736928049.db2.gz KAWIXEXUZBGLJI-KURKYZTESA-N 2 2 349.475 0.328 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001023502919 736928051 /nfs/dbraw/zinc/92/80/51/736928051.db2.gz KAWIXEXUZBGLJI-KURKYZTESA-N 2 2 349.475 0.328 20 30 ECEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104910256 740909815 /nfs/dbraw/zinc/90/98/15/740909815.db2.gz BFQIUGVSXCFMBY-HZPDHXFCSA-N 2 2 332.448 0.687 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001105294943 741666509 /nfs/dbraw/zinc/66/65/09/741666509.db2.gz OZFZJDFMFJDWQR-UHFFFAOYSA-N 2 2 329.408 0.614 20 30 ECEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)nn1 ZINC001105337074 742422200 /nfs/dbraw/zinc/42/22/00/742422200.db2.gz QYPDLAJDKCBBGF-CQSZACIVSA-N 2 2 341.419 0.622 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001027091556 742525746 /nfs/dbraw/zinc/52/57/46/742525746.db2.gz PCKPPXKMUFEWAI-DZGCQCFKSA-N 2 2 331.420 0.177 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1=O ZINC000996857387 742956469 /nfs/dbraw/zinc/95/64/69/742956469.db2.gz AWAYIFHNYARCEN-INIZCTEOSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1=O ZINC000997040584 743160828 /nfs/dbraw/zinc/16/08/28/743160828.db2.gz HEDWFKONEFBSMY-OAHLLOKOSA-N 2 2 331.420 0.320 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(CC)no2)C1 ZINC000998929496 744410897 /nfs/dbraw/zinc/41/08/97/744410897.db2.gz XICNVIGDLOEUSF-NRXISQOPSA-N 2 2 345.447 0.809 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(CC)no2)C1 ZINC000998929496 744410899 /nfs/dbraw/zinc/41/08/99/744410899.db2.gz XICNVIGDLOEUSF-NRXISQOPSA-N 2 2 345.447 0.809 20 30 ECEDLP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001098697558 745233230 /nfs/dbraw/zinc/23/32/30/745233230.db2.gz IQEQLKGPFJJQKF-INIZCTEOSA-N 2 2 341.419 0.451 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001098711455 746763601 /nfs/dbraw/zinc/76/36/01/746763601.db2.gz VDYGOCPKQIJHRY-INIZCTEOSA-N 2 2 332.452 0.506 20 30 ECEDLP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979075346 747126479 /nfs/dbraw/zinc/12/64/79/747126479.db2.gz VZSIDUCCPHSGQI-XQLPTFJDSA-N 2 2 327.856 0.754 20 30 ECEDLP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979075346 747126484 /nfs/dbraw/zinc/12/64/84/747126484.db2.gz VZSIDUCCPHSGQI-XQLPTFJDSA-N 2 2 327.856 0.754 20 30 ECEDLP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979075346 747126488 /nfs/dbraw/zinc/12/64/88/747126488.db2.gz VZSIDUCCPHSGQI-XQLPTFJDSA-N 2 2 327.856 0.754 20 30 ECEDLP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979075346 747126492 /nfs/dbraw/zinc/12/64/92/747126492.db2.gz VZSIDUCCPHSGQI-XQLPTFJDSA-N 2 2 327.856 0.754 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2nccn2C)CC1 ZINC000985473059 748207052 /nfs/dbraw/zinc/20/70/52/748207052.db2.gz FYILQZDTLQQASV-KRWDZBQOSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2nccn2C)CC1 ZINC000985473059 748207060 /nfs/dbraw/zinc/20/70/60/748207060.db2.gz FYILQZDTLQQASV-KRWDZBQOSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2nccn2C)CC1 ZINC000985473059 748207064 /nfs/dbraw/zinc/20/70/64/748207064.db2.gz FYILQZDTLQQASV-KRWDZBQOSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2nccn2C)CC1 ZINC000985473059 748207069 /nfs/dbraw/zinc/20/70/69/748207069.db2.gz FYILQZDTLQQASV-KRWDZBQOSA-N 2 2 343.475 0.941 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001098728411 748520746 /nfs/dbraw/zinc/52/07/46/748520746.db2.gz OSUFYEFFUCCWEC-WBVHZDCISA-N 2 2 344.463 0.649 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001098728411 748520753 /nfs/dbraw/zinc/52/07/53/748520753.db2.gz OSUFYEFFUCCWEC-WBVHZDCISA-N 2 2 344.463 0.649 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000985826396 749185514 /nfs/dbraw/zinc/18/55/14/749185514.db2.gz XYFLJMZGHNZOLE-MRXNPFEDSA-N 2 2 349.479 0.148 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000985826396 749185517 /nfs/dbraw/zinc/18/55/17/749185517.db2.gz XYFLJMZGHNZOLE-MRXNPFEDSA-N 2 2 349.479 0.148 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001004257737 749362079 /nfs/dbraw/zinc/36/20/79/749362079.db2.gz KQCCJIFKTLHNPZ-HNNXBMFYSA-N 2 2 331.420 0.251 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000981459241 750716413 /nfs/dbraw/zinc/71/64/13/750716413.db2.gz PQCWYMMICDDBHX-IAGOWNOFSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000981459241 750716415 /nfs/dbraw/zinc/71/64/15/750716415.db2.gz PQCWYMMICDDBHX-IAGOWNOFSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1=O ZINC000981459241 750716416 /nfs/dbraw/zinc/71/64/16/750716416.db2.gz PQCWYMMICDDBHX-IAGOWNOFSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1=O ZINC000981459241 750716417 /nfs/dbraw/zinc/71/64/17/750716417.db2.gz PQCWYMMICDDBHX-IAGOWNOFSA-N 2 2 348.491 0.792 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)N(C)C)C2 ZINC000981819166 751135690 /nfs/dbraw/zinc/13/56/90/751135690.db2.gz QIHVPAMUQNCFBV-INIZCTEOSA-N 2 2 346.475 0.097 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(=O)N(C)C)C2 ZINC000981819166 751135691 /nfs/dbraw/zinc/13/56/91/751135691.db2.gz QIHVPAMUQNCFBV-INIZCTEOSA-N 2 2 346.475 0.097 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC(=O)N(C)C)C2 ZINC000981819166 751135693 /nfs/dbraw/zinc/13/56/93/751135693.db2.gz QIHVPAMUQNCFBV-INIZCTEOSA-N 2 2 346.475 0.097 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC(=O)N(C)C)C2 ZINC000981819166 751135697 /nfs/dbraw/zinc/13/56/97/751135697.db2.gz QIHVPAMUQNCFBV-INIZCTEOSA-N 2 2 346.475 0.097 20 30 ECEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001213202738 752390960 /nfs/dbraw/zinc/39/09/60/752390960.db2.gz AZTMQLZIPVBQBC-HUUCEWRRSA-N 2 2 336.436 0.371 20 30 ECEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001213202738 752390969 /nfs/dbraw/zinc/39/09/69/752390969.db2.gz AZTMQLZIPVBQBC-HUUCEWRRSA-N 2 2 336.436 0.371 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cnnn2C)CC1 ZINC001028333634 752411390 /nfs/dbraw/zinc/41/13/90/752411390.db2.gz PSXIEBUDVBDNDC-INIZCTEOSA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cnnn2C)CC1 ZINC001028333634 752411394 /nfs/dbraw/zinc/41/13/94/752411394.db2.gz PSXIEBUDVBDNDC-INIZCTEOSA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCc2cnn(C)c2)C1 ZINC001007518538 752474834 /nfs/dbraw/zinc/47/48/34/752474834.db2.gz CHOXXTAGZWQAKC-ROUUACIJSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCc2cnn(C)c2)C1 ZINC001007518538 752474835 /nfs/dbraw/zinc/47/48/35/752474835.db2.gz CHOXXTAGZWQAKC-ROUUACIJSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCc2cnn(C)c2)C1 ZINC001007518538 752474836 /nfs/dbraw/zinc/47/48/36/752474836.db2.gz CHOXXTAGZWQAKC-ROUUACIJSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCc2cnn(C)c2)C1 ZINC001007518538 752474838 /nfs/dbraw/zinc/47/48/38/752474838.db2.gz CHOXXTAGZWQAKC-ROUUACIJSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001008028603 753214321 /nfs/dbraw/zinc/21/43/21/753214321.db2.gz ZUBNROPVJRGATL-KSZLIROESA-N 2 2 349.475 0.470 20 30 ECEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001008028603 753214326 /nfs/dbraw/zinc/21/43/26/753214326.db2.gz ZUBNROPVJRGATL-KSZLIROESA-N 2 2 349.475 0.470 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+]3CCCCC3)C2)nn1 ZINC001105377076 754459626 /nfs/dbraw/zinc/45/96/26/754459626.db2.gz PSJJGMXEVMHAOU-UHFFFAOYSA-N 2 2 330.436 0.260 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001022220594 758441687 /nfs/dbraw/zinc/44/16/87/758441687.db2.gz KYIXSCQMONIZFK-RZFFKMDDSA-N 2 2 330.436 0.509 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001022220594 758441694 /nfs/dbraw/zinc/44/16/94/758441694.db2.gz KYIXSCQMONIZFK-RZFFKMDDSA-N 2 2 330.436 0.509 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106225857 767970924 /nfs/dbraw/zinc/97/09/24/767970924.db2.gz JPHZLCCRQJLTSV-QLFBSQMISA-N 2 2 347.463 0.717 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106225857 767970928 /nfs/dbraw/zinc/97/09/28/767970928.db2.gz JPHZLCCRQJLTSV-QLFBSQMISA-N 2 2 347.463 0.717 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046994393 763531020 /nfs/dbraw/zinc/53/10/20/763531020.db2.gz FDUXBTYCHVJWCO-ZIAGYGMSSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994393 763531024 /nfs/dbraw/zinc/53/10/24/763531024.db2.gz FDUXBTYCHVJWCO-ZIAGYGMSSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046994393 763531031 /nfs/dbraw/zinc/53/10/31/763531031.db2.gz FDUXBTYCHVJWCO-ZIAGYGMSSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046994393 763531035 /nfs/dbraw/zinc/53/10/35/763531035.db2.gz FDUXBTYCHVJWCO-ZIAGYGMSSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)CC1 ZINC001052035601 763643131 /nfs/dbraw/zinc/64/31/31/763643131.db2.gz FFTTYURPOKMBKV-OALUTQOASA-N 2 2 346.519 0.816 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001052035601 763643137 /nfs/dbraw/zinc/64/31/37/763643137.db2.gz FFTTYURPOKMBKV-OALUTQOASA-N 2 2 346.519 0.816 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106343340 768169646 /nfs/dbraw/zinc/16/96/46/768169646.db2.gz ZZCOJLZXEHGGCQ-IXDOHACOSA-N 2 2 344.459 0.779 20 30 ECEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001047435955 764339351 /nfs/dbraw/zinc/33/93/51/764339351.db2.gz PKXVNQSEBFGSEQ-COXVUDFISA-N 2 2 330.432 0.350 20 30 ECEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001047435955 764339356 /nfs/dbraw/zinc/33/93/56/764339356.db2.gz PKXVNQSEBFGSEQ-COXVUDFISA-N 2 2 330.432 0.350 20 30 ECEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001047435955 764339359 /nfs/dbraw/zinc/33/93/59/764339359.db2.gz PKXVNQSEBFGSEQ-COXVUDFISA-N 2 2 330.432 0.350 20 30 ECEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001047435955 764339364 /nfs/dbraw/zinc/33/93/64/764339364.db2.gz PKXVNQSEBFGSEQ-COXVUDFISA-N 2 2 330.432 0.350 20 30 ECEDLP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)nn1 ZINC001098784945 768211762 /nfs/dbraw/zinc/21/17/62/768211762.db2.gz NSTMNFRUJSXZKX-JKSUJKDBSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)nn1 ZINC001098784945 768211766 /nfs/dbraw/zinc/21/17/66/768211766.db2.gz NSTMNFRUJSXZKX-JKSUJKDBSA-N 2 2 348.451 0.048 20 30 ECEDLP N#CCN1CC[C@H]([NH+]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046029879 766695791 /nfs/dbraw/zinc/69/57/91/766695791.db2.gz DOGRYLMPFNACHA-IRXDYDNUSA-N 2 2 331.464 0.070 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039288 766742704 /nfs/dbraw/zinc/74/27/04/766742704.db2.gz OYQVUEIRQXRYBP-DLBZAZTESA-N 2 2 341.459 0.297 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039288 766742705 /nfs/dbraw/zinc/74/27/05/766742705.db2.gz OYQVUEIRQXRYBP-DLBZAZTESA-N 2 2 341.459 0.297 20 30 ECEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001046062537 766835523 /nfs/dbraw/zinc/83/55/23/766835523.db2.gz WBXHNJCOURLATP-HOTGVXAUSA-N 2 2 341.459 0.681 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001046062537 766835532 /nfs/dbraw/zinc/83/55/32/766835532.db2.gz WBXHNJCOURLATP-HOTGVXAUSA-N 2 2 341.459 0.681 20 30 ECEDLP C[C@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)[NH+]1CCCCCC1 ZINC001046068745 766864646 /nfs/dbraw/zinc/86/46/46/766864646.db2.gz SCNSNJPLVLXMRE-MSOLQXFVSA-N 2 2 347.507 0.993 20 30 ECEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046070503 766874202 /nfs/dbraw/zinc/87/42/02/766874202.db2.gz OOMLIEOQEGDWIS-QZTJIDSGSA-N 2 2 347.507 0.991 20 30 ECEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046070503 766874213 /nfs/dbraw/zinc/87/42/13/766874213.db2.gz OOMLIEOQEGDWIS-QZTJIDSGSA-N 2 2 347.507 0.991 20 30 ECEDLP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046080684 766917438 /nfs/dbraw/zinc/91/74/38/766917438.db2.gz JNEGNMULYQUNMY-SFHVURJKSA-N 2 2 343.475 0.595 20 30 ECEDLP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046080684 766917442 /nfs/dbraw/zinc/91/74/42/766917442.db2.gz JNEGNMULYQUNMY-SFHVURJKSA-N 2 2 343.475 0.595 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)CO2 ZINC001054014677 767601795 /nfs/dbraw/zinc/60/17/95/767601795.db2.gz PRRRMGZQQWWMQI-HOTGVXAUSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)CO2 ZINC001054014677 767601799 /nfs/dbraw/zinc/60/17/99/767601799.db2.gz PRRRMGZQQWWMQI-HOTGVXAUSA-N 2 2 337.464 0.633 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498630 768382173 /nfs/dbraw/zinc/38/21/73/768382173.db2.gz HVUMDCBEWQKKDR-BZUAXINKSA-N 2 2 345.447 0.095 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1 ZINC001018665033 769737005 /nfs/dbraw/zinc/73/70/05/769737005.db2.gz LFCDHTBSSOTIQW-DOTOQJQBSA-N 2 2 346.406 0.718 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1 ZINC001018665033 769737011 /nfs/dbraw/zinc/73/70/11/769737011.db2.gz LFCDHTBSSOTIQW-DOTOQJQBSA-N 2 2 346.406 0.718 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)s2)C1 ZINC001018985770 770484063 /nfs/dbraw/zinc/48/40/63/770484063.db2.gz DPPOTPIGXBNLRS-KBPBESRZSA-N 2 2 347.488 0.889 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)s2)C1 ZINC001018985770 770484067 /nfs/dbraw/zinc/48/40/67/770484067.db2.gz DPPOTPIGXBNLRS-KBPBESRZSA-N 2 2 347.488 0.889 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001018985960 770484221 /nfs/dbraw/zinc/48/42/21/770484221.db2.gz NWBGYUQCMYBGIS-YJBOKZPZSA-N 2 2 341.459 0.617 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001018985960 770484224 /nfs/dbraw/zinc/48/42/24/770484224.db2.gz NWBGYUQCMYBGIS-YJBOKZPZSA-N 2 2 341.459 0.617 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001018985937 770484455 /nfs/dbraw/zinc/48/44/55/770484455.db2.gz MSGJLHINGIJJGM-GJZGRUSLSA-N 2 2 342.447 0.470 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001018985937 770484459 /nfs/dbraw/zinc/48/44/59/770484459.db2.gz MSGJLHINGIJJGM-GJZGRUSLSA-N 2 2 342.447 0.470 20 30 ECEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231350 780906937 /nfs/dbraw/zinc/90/69/37/780906937.db2.gz GPGNXAUWNCHTRK-GVDBMIGSSA-N 2 2 349.475 0.442 20 30 ECEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231350 780906946 /nfs/dbraw/zinc/90/69/46/780906946.db2.gz GPGNXAUWNCHTRK-GVDBMIGSSA-N 2 2 349.475 0.442 20 30 ECEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231349 780906956 /nfs/dbraw/zinc/90/69/56/780906956.db2.gz GPGNXAUWNCHTRK-BBWFWOEESA-N 2 2 349.475 0.442 20 30 ECEDLP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079231349 780906961 /nfs/dbraw/zinc/90/69/61/780906961.db2.gz GPGNXAUWNCHTRK-BBWFWOEESA-N 2 2 349.475 0.442 20 30 ECEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001070964530 784248484 /nfs/dbraw/zinc/24/84/84/784248484.db2.gz NSNPFHMCCATBLV-MRXNPFEDSA-N 2 2 334.464 0.165 20 30 ECEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001070964530 784248495 /nfs/dbraw/zinc/24/84/95/784248495.db2.gz NSNPFHMCCATBLV-MRXNPFEDSA-N 2 2 334.464 0.165 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001070970827 784272349 /nfs/dbraw/zinc/27/23/49/784272349.db2.gz ZTMUQJJSEIMPTD-QGZVFWFLSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001070970827 784272352 /nfs/dbraw/zinc/27/23/52/784272352.db2.gz ZTMUQJJSEIMPTD-QGZVFWFLSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001070996011 784355883 /nfs/dbraw/zinc/35/58/83/784355883.db2.gz DOFCSQHOBJDGPQ-QGZVFWFLSA-N 2 2 336.480 0.246 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001070996011 784355890 /nfs/dbraw/zinc/35/58/90/784355890.db2.gz DOFCSQHOBJDGPQ-QGZVFWFLSA-N 2 2 336.480 0.246 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001071000136 784371484 /nfs/dbraw/zinc/37/14/84/784371484.db2.gz PPQUCARKFAFMTO-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001071000136 784371490 /nfs/dbraw/zinc/37/14/90/784371490.db2.gz PPQUCARKFAFMTO-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001071000136 784371497 /nfs/dbraw/zinc/37/14/97/784371497.db2.gz PPQUCARKFAFMTO-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001071000136 784371503 /nfs/dbraw/zinc/37/15/03/784371503.db2.gz PPQUCARKFAFMTO-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001071020497 784438423 /nfs/dbraw/zinc/43/84/23/784438423.db2.gz GTMBXQBWJIVWJA-UHFFFAOYSA-N 2 2 333.436 0.418 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001071020497 784438427 /nfs/dbraw/zinc/43/84/27/784438427.db2.gz GTMBXQBWJIVWJA-UHFFFAOYSA-N 2 2 333.436 0.418 20 30 ECEDLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070718827 784592897 /nfs/dbraw/zinc/59/28/97/784592897.db2.gz KMTLIRJGIOTQRT-ZIAGYGMSSA-N 2 2 327.392 0.033 20 30 ECEDLP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@H](C)O2 ZINC001071194440 784709096 /nfs/dbraw/zinc/70/90/96/784709096.db2.gz JGZZDCLEUPPQGC-WMZOPIPTSA-N 2 2 330.432 0.988 20 30 ECEDLP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@H](C)O2 ZINC001071194440 784709100 /nfs/dbraw/zinc/70/91/00/784709100.db2.gz JGZZDCLEUPPQGC-WMZOPIPTSA-N 2 2 330.432 0.988 20 30 ECEDLP C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C(=O)C1 ZINC001071276817 784919753 /nfs/dbraw/zinc/91/97/53/784919753.db2.gz BVEHWWBHTDIBKI-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C(=O)C1 ZINC001071276817 784919761 /nfs/dbraw/zinc/91/97/61/784919761.db2.gz BVEHWWBHTDIBKI-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1ccn(C)n1)C2 ZINC001072822370 788889760 /nfs/dbraw/zinc/88/97/60/788889760.db2.gz DFTOLWNTVNQXHP-KRWDZBQOSA-N 2 2 341.459 0.552 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1ccn(C)n1)C2 ZINC001072822370 788889770 /nfs/dbraw/zinc/88/97/70/788889770.db2.gz DFTOLWNTVNQXHP-KRWDZBQOSA-N 2 2 341.459 0.552 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1ccn(C)n1)C2 ZINC001072822370 788889782 /nfs/dbraw/zinc/88/97/82/788889782.db2.gz DFTOLWNTVNQXHP-KRWDZBQOSA-N 2 2 341.459 0.552 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1ccn(C)n1)C2 ZINC001072822370 788889791 /nfs/dbraw/zinc/88/97/91/788889791.db2.gz DFTOLWNTVNQXHP-KRWDZBQOSA-N 2 2 341.459 0.552 20 30 ECEDLP C=C(C)C[NH+]1CCN(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001266288133 835631271 /nfs/dbraw/zinc/63/12/71/835631271.db2.gz UDBHDWHCGQUTKZ-INIZCTEOSA-N 2 2 331.464 0.755 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001266749753 836239475 /nfs/dbraw/zinc/23/94/75/836239475.db2.gz WPGNNSZRYMPBBZ-KGLIPLIRSA-N 2 2 333.436 0.184 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001266881236 836429395 /nfs/dbraw/zinc/42/93/95/836429395.db2.gz UECHKSXUIIZLHE-GJZGRUSLSA-N 2 2 347.463 0.624 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001267208742 836993860 /nfs/dbraw/zinc/99/38/60/836993860.db2.gz WJBZJPAJINZUQB-UONOGXRCSA-N 2 2 347.463 0.860 20 30 ECEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001267618332 838050236 /nfs/dbraw/zinc/05/02/36/838050236.db2.gz MPLLZNWNQPAAIL-UHFFFAOYSA-N 2 2 347.507 0.708 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267632689 838095851 /nfs/dbraw/zinc/09/58/51/838095851.db2.gz ROEGQJNSLHCFBI-IRXDYDNUSA-N 2 2 348.491 0.437 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267632689 838095862 /nfs/dbraw/zinc/09/58/62/838095862.db2.gz ROEGQJNSLHCFBI-IRXDYDNUSA-N 2 2 348.491 0.437 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cc(OC)no1 ZINC001267806121 838585213 /nfs/dbraw/zinc/58/52/13/838585213.db2.gz LFTXQVPIOBEIGM-HIFRSBDPSA-N 2 2 334.420 0.765 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cc(OC)no1 ZINC001267806121 838585218 /nfs/dbraw/zinc/58/52/18/838585218.db2.gz LFTXQVPIOBEIGM-HIFRSBDPSA-N 2 2 334.420 0.765 20 30 ECEDLP C[C@@H]1CCCC[C@@]1(C[NH2+]CC(=O)NCC#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001267874685 838670579 /nfs/dbraw/zinc/67/05/79/838670579.db2.gz YBHJOLPGHSZGRH-DYVFJYSZSA-N 2 2 346.435 0.247 20 30 ECEDLP COCC#CC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001268046463 839212581 /nfs/dbraw/zinc/21/25/81/839212581.db2.gz AZYPKXMBQITJMS-UHFFFAOYSA-N 2 2 330.432 0.766 20 30 ECEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCCCC[NH3+])CC2)cc1 ZINC000419831385 209215829 /nfs/dbraw/zinc/21/58/29/209215829.db2.gz LXCUVNNNIOWHLY-UHFFFAOYSA-N 2 2 343.431 0.058 20 30 ECEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000247985006 165167853 /nfs/dbraw/zinc/16/78/53/165167853.db2.gz ITCYBWNXZPLIKU-QZTJIDSGSA-N 2 2 342.443 0.830 20 30 ECEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000247985006 165167856 /nfs/dbraw/zinc/16/78/56/165167856.db2.gz ITCYBWNXZPLIKU-QZTJIDSGSA-N 2 2 342.443 0.830 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCN(c2ccccn2)CC1 ZINC000114069267 436639201 /nfs/dbraw/zinc/63/92/01/436639201.db2.gz PVMJEQSYPQHUPQ-HNNXBMFYSA-N 2 2 332.452 0.110 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCN(c2ccccn2)CC1 ZINC000114069267 436639202 /nfs/dbraw/zinc/63/92/02/436639202.db2.gz PVMJEQSYPQHUPQ-HNNXBMFYSA-N 2 2 332.452 0.110 20 30 ECEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCN2C(=O)CNC2=O)cc1 ZINC000270242740 436672692 /nfs/dbraw/zinc/67/26/92/436672692.db2.gz LNGFWCNSYFQOFF-UHFFFAOYSA-N 2 2 333.392 0.327 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC[C@](C)(O)c1cc(C)oc1C ZINC000262338301 436924705 /nfs/dbraw/zinc/92/47/05/436924705.db2.gz FVLXSLNRABVVKS-PBHICJAKSA-N 2 2 338.452 0.600 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC[C@](C)(O)c1cc(C)oc1C ZINC000262338301 436924708 /nfs/dbraw/zinc/92/47/08/436924708.db2.gz FVLXSLNRABVVKS-PBHICJAKSA-N 2 2 338.452 0.600 20 30 ECEDLP CC(C)(C)OC(=O)N1CCN2C(NCCn3cc[nH+]c3)=[NH+]C[C@@H]2C1 ZINC000133862828 436884978 /nfs/dbraw/zinc/88/49/78/436884978.db2.gz OVORWAYSUBUWQQ-CYBMUJFWSA-N 2 2 334.424 0.764 20 30 ECEDLP C=CCN(CC=C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000297624589 437009024 /nfs/dbraw/zinc/00/90/24/437009024.db2.gz WBWXOKUAEQGQCQ-UHFFFAOYSA-N 2 2 336.480 0.671 20 30 ECEDLP C=CCN(CC=C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000297624589 437009029 /nfs/dbraw/zinc/00/90/29/437009029.db2.gz WBWXOKUAEQGQCQ-UHFFFAOYSA-N 2 2 336.480 0.671 20 30 ECEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1cccs1)[NH+](C)C ZINC000264990609 437101350 /nfs/dbraw/zinc/10/13/50/437101350.db2.gz PUGFTGIBBYMWBB-CQSZACIVSA-N 2 2 339.509 0.848 20 30 ECEDLP C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332055325 437202215 /nfs/dbraw/zinc/20/22/15/437202215.db2.gz OIWCLLZRHIXHPZ-CABCVRRESA-N 2 2 347.463 0.176 20 30 ECEDLP C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000332055325 437202218 /nfs/dbraw/zinc/20/22/18/437202218.db2.gz OIWCLLZRHIXHPZ-CABCVRRESA-N 2 2 347.463 0.176 20 30 ECEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)CCC2 ZINC000328640293 437244254 /nfs/dbraw/zinc/24/42/54/437244254.db2.gz CLUVDSSCPYTABE-GJZGRUSLSA-N 2 2 334.468 0.818 20 30 ECEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)CCC2 ZINC000328640293 437244257 /nfs/dbraw/zinc/24/42/57/437244257.db2.gz CLUVDSSCPYTABE-GJZGRUSLSA-N 2 2 334.468 0.818 20 30 ECEDLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000266964365 437272686 /nfs/dbraw/zinc/27/26/86/437272686.db2.gz XQQKJCGUVWLCOJ-UHFFFAOYSA-N 2 2 338.415 0.730 20 30 ECEDLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000328924105 437286044 /nfs/dbraw/zinc/28/60/44/437286044.db2.gz DIIKZUWORMXBCO-UKRRQHHQSA-N 2 2 337.468 0.977 20 30 ECEDLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000328924105 437286049 /nfs/dbraw/zinc/28/60/49/437286049.db2.gz DIIKZUWORMXBCO-UKRRQHHQSA-N 2 2 337.468 0.977 20 30 ECEDLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCn2cc[nH+]c2C1 ZINC000330316174 437482368 /nfs/dbraw/zinc/48/23/68/437482368.db2.gz PWAVAGNDYWULKN-CABCVRRESA-N 2 2 333.436 0.991 20 30 ECEDLP CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](C[NH+](C)CC(N)=O)C2)C1 ZINC000331226776 437722344 /nfs/dbraw/zinc/72/23/44/437722344.db2.gz FOQHQTNSUYYYDS-KBPBESRZSA-N 2 2 341.456 0.553 20 30 ECEDLP CC[N@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](C[NH+](C)CC(N)=O)C2)C1 ZINC000331226776 437722348 /nfs/dbraw/zinc/72/23/48/437722348.db2.gz FOQHQTNSUYYYDS-KBPBESRZSA-N 2 2 341.456 0.553 20 30 ECEDLP CC[NH+]1CCC[C@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000331226776 437722352 /nfs/dbraw/zinc/72/23/52/437722352.db2.gz FOQHQTNSUYYYDS-KBPBESRZSA-N 2 2 341.456 0.553 20 30 ECEDLP CC[NH+]1CCC[C@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000331226776 437722356 /nfs/dbraw/zinc/72/23/56/437722356.db2.gz FOQHQTNSUYYYDS-KBPBESRZSA-N 2 2 341.456 0.553 20 30 ECEDLP C=CCn1cc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000425869910 438047697 /nfs/dbraw/zinc/04/76/97/438047697.db2.gz GIKJRMJQQGHCSC-UHFFFAOYSA-N 2 2 349.483 0.632 20 30 ECEDLP C=CCn1cc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000425869910 438047701 /nfs/dbraw/zinc/04/77/01/438047701.db2.gz GIKJRMJQQGHCSC-UHFFFAOYSA-N 2 2 349.483 0.632 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000368681403 438365929 /nfs/dbraw/zinc/36/59/29/438365929.db2.gz WYEYBFAREQLGNM-UHFFFAOYSA-N 2 2 337.464 0.346 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CC1 ZINC000519302730 439027990 /nfs/dbraw/zinc/02/79/90/439027990.db2.gz NKDLLZWTNFSCKE-UHFFFAOYSA-N 2 2 346.479 0.898 20 30 ECEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000580553221 439104223 /nfs/dbraw/zinc/10/42/23/439104223.db2.gz XOJLCQKNPCCARF-IAGOWNOFSA-N 2 2 333.432 0.998 20 30 ECEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000580553221 439104226 /nfs/dbraw/zinc/10/42/26/439104226.db2.gz XOJLCQKNPCCARF-IAGOWNOFSA-N 2 2 333.432 0.998 20 30 ECEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149477 439167606 /nfs/dbraw/zinc/16/76/06/439167606.db2.gz PQTUHFIWEYAPAK-MAUKXSAKSA-N 2 2 343.431 0.469 20 30 ECEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149477 439167608 /nfs/dbraw/zinc/16/76/08/439167608.db2.gz PQTUHFIWEYAPAK-MAUKXSAKSA-N 2 2 343.431 0.469 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000490933567 439313660 /nfs/dbraw/zinc/31/36/60/439313660.db2.gz DSQAMHZGGZZTFE-OYLFLEFRSA-N 2 2 347.484 0.852 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)CC1 ZINC000490922880 439314005 /nfs/dbraw/zinc/31/40/05/439314005.db2.gz GYISWNRANNUHJX-IBGZPJMESA-N 2 2 345.418 0.496 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)CC1 ZINC000490922880 439314010 /nfs/dbraw/zinc/31/40/10/439314010.db2.gz GYISWNRANNUHJX-IBGZPJMESA-N 2 2 345.418 0.496 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)CC1 ZINC000490950894 439317617 /nfs/dbraw/zinc/31/76/17/439317617.db2.gz UWEFQHHRLONGEY-MRXNPFEDSA-N 2 2 335.448 0.239 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C3(C)OCCO3)C2)CC1 ZINC000490950894 439317619 /nfs/dbraw/zinc/31/76/19/439317619.db2.gz UWEFQHHRLONGEY-MRXNPFEDSA-N 2 2 335.448 0.239 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC(C)(C)O)C2CCOCC2)CC1 ZINC000490761825 439295268 /nfs/dbraw/zinc/29/52/68/439295268.db2.gz BVSFAHGAZXNQPD-UHFFFAOYSA-N 2 2 337.464 0.016 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC(C)(C)O)C2CCOCC2)CC1 ZINC000490761825 439295271 /nfs/dbraw/zinc/29/52/71/439295271.db2.gz BVSFAHGAZXNQPD-UHFFFAOYSA-N 2 2 337.464 0.016 20 30 ECEDLP CN(CCC#N)C[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000570081487 439390853 /nfs/dbraw/zinc/39/08/53/439390853.db2.gz BFFLTSFWECKVCP-LJQANCHMSA-N 2 2 346.475 0.815 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@]2(O)CCc3ccccc32)CC1 ZINC000491615001 439410003 /nfs/dbraw/zinc/41/00/03/439410003.db2.gz ADSPLTWOIOMRMR-HXUWFJFHSA-N 2 2 341.455 0.530 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@]2(O)CCc3ccccc32)CC1 ZINC000491615001 439410006 /nfs/dbraw/zinc/41/00/06/439410006.db2.gz ADSPLTWOIOMRMR-HXUWFJFHSA-N 2 2 341.455 0.530 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000491639173 439417562 /nfs/dbraw/zinc/41/75/62/439417562.db2.gz WTECJAQAYFTWNG-UHFFFAOYSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000491639173 439417568 /nfs/dbraw/zinc/41/75/68/439417568.db2.gz WTECJAQAYFTWNG-UHFFFAOYSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000491639173 439417570 /nfs/dbraw/zinc/41/75/70/439417570.db2.gz WTECJAQAYFTWNG-UHFFFAOYSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000491639173 439417576 /nfs/dbraw/zinc/41/75/76/439417576.db2.gz WTECJAQAYFTWNG-UHFFFAOYSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000491692355 439428390 /nfs/dbraw/zinc/42/83/90/439428390.db2.gz GWYGPDPRUAARNC-UHFFFAOYSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000491692355 439428393 /nfs/dbraw/zinc/42/83/93/439428393.db2.gz GWYGPDPRUAARNC-UHFFFAOYSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)OC)C2)CC1 ZINC000491745432 439439255 /nfs/dbraw/zinc/43/92/55/439439255.db2.gz YROMNQJHHAAEID-HNNXBMFYSA-N 2 2 335.448 0.333 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC(=O)OC)C2)CC1 ZINC000491745432 439439260 /nfs/dbraw/zinc/43/92/60/439439260.db2.gz YROMNQJHHAAEID-HNNXBMFYSA-N 2 2 335.448 0.333 20 30 ECEDLP C[N@@H+]1CCN(C(=O)Nc2ncccc2OCCCC#N)[C@H](C[NH3+])C1 ZINC000571863075 439536770 /nfs/dbraw/zinc/53/67/70/439536770.db2.gz REXPVJCDLOJMOH-CYBMUJFWSA-N 2 2 332.408 0.871 20 30 ECEDLP C[N@H+]1CCN(C(=O)Nc2ncccc2OCCCC#N)[C@H](C[NH3+])C1 ZINC000571863075 439536773 /nfs/dbraw/zinc/53/67/73/439536773.db2.gz REXPVJCDLOJMOH-CYBMUJFWSA-N 2 2 332.408 0.871 20 30 ECEDLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441861 439563327 /nfs/dbraw/zinc/56/33/27/439563327.db2.gz XLNFBLYAGPUPMY-HIFRSBDPSA-N 2 2 335.452 0.209 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(C#N)cc1F ZINC000594822399 439621524 /nfs/dbraw/zinc/62/15/24/439621524.db2.gz XCSLTDDGWNWWAN-UHFFFAOYSA-N 2 2 342.440 0.859 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C#N)cc1F ZINC000594822399 439621529 /nfs/dbraw/zinc/62/15/29/439621529.db2.gz XCSLTDDGWNWWAN-UHFFFAOYSA-N 2 2 342.440 0.859 20 30 ECEDLP Cc1onc(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000611528260 439703621 /nfs/dbraw/zinc/70/36/21/439703621.db2.gz BIBCRHQNPUNDNQ-CYBMUJFWSA-N 2 2 331.420 0.682 20 30 ECEDLP Cc1onc(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000611528260 439703627 /nfs/dbraw/zinc/70/36/27/439703627.db2.gz BIBCRHQNPUNDNQ-CYBMUJFWSA-N 2 2 331.420 0.682 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000600720330 439696118 /nfs/dbraw/zinc/69/61/18/439696118.db2.gz YJDDNGBJUUFAMO-INIZCTEOSA-N 2 2 344.463 0.633 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+][C@H]2CCC[N@@H+](CCCO)C2)CCOCC1 ZINC000600741628 439697675 /nfs/dbraw/zinc/69/76/75/439697675.db2.gz GCJJQTJRSJTRSO-JKSUJKDBSA-N 2 2 325.453 0.494 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+][C@H]2CCC[N@H+](CCCO)C2)CCOCC1 ZINC000600741628 439697677 /nfs/dbraw/zinc/69/76/77/439697677.db2.gz GCJJQTJRSJTRSO-JKSUJKDBSA-N 2 2 325.453 0.494 20 30 ECEDLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CCC#N)CC2)CC1 ZINC000574315792 439698061 /nfs/dbraw/zinc/69/80/61/439698061.db2.gz BIAOSZDJARMIBQ-UHFFFAOYSA-N 2 2 328.482 0.722 20 30 ECEDLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CCC#N)CC2)CC1 ZINC000574315792 439698065 /nfs/dbraw/zinc/69/80/65/439698065.db2.gz BIAOSZDJARMIBQ-UHFFFAOYSA-N 2 2 328.482 0.722 20 30 ECEDLP C=CCCn1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)nn1 ZINC000657362363 441002407 /nfs/dbraw/zinc/00/24/07/441002407.db2.gz AVAWPMDUCJXOJP-INIZCTEOSA-N 2 2 334.468 0.350 20 30 ECEDLP C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668638934 547708943 /nfs/dbraw/zinc/70/89/43/547708943.db2.gz DCQQLZXKKRXOMX-NVXWUHKLSA-N 2 2 336.480 0.742 20 30 ECEDLP C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668638934 547708948 /nfs/dbraw/zinc/70/89/48/547708948.db2.gz DCQQLZXKKRXOMX-NVXWUHKLSA-N 2 2 336.480 0.742 20 30 ECEDLP NC(=[NH+]OCC(=O)NCC1CC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000752771374 579390759 /nfs/dbraw/zinc/39/07/59/579390759.db2.gz YJDAQWZWGNOOOV-UHFFFAOYSA-N 2 2 346.431 0.682 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000730097800 578303227 /nfs/dbraw/zinc/30/32/27/578303227.db2.gz KLQOYIBTQYOGRW-DOTOQJQBSA-N 2 2 337.489 0.408 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000730097800 578303228 /nfs/dbraw/zinc/30/32/28/578303228.db2.gz KLQOYIBTQYOGRW-DOTOQJQBSA-N 2 2 337.489 0.408 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN(CCC)CC[NH+]2CCCCC2)CC1 ZINC000796458030 578625284 /nfs/dbraw/zinc/62/52/84/578625284.db2.gz ADAAZVVMNMSFHX-UHFFFAOYSA-N 2 2 334.508 0.962 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000790152619 578869084 /nfs/dbraw/zinc/86/90/84/578869084.db2.gz CUNDJVWICCSSMY-KRWDZBQOSA-N 2 2 340.427 0.566 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000790152619 578869085 /nfs/dbraw/zinc/86/90/85/578869085.db2.gz CUNDJVWICCSSMY-KRWDZBQOSA-N 2 2 340.427 0.566 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000790152619 578869086 /nfs/dbraw/zinc/86/90/86/578869086.db2.gz CUNDJVWICCSSMY-KRWDZBQOSA-N 2 2 340.427 0.566 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH+](CC(N)=O)CC2 ZINC000790152619 578869087 /nfs/dbraw/zinc/86/90/87/578869087.db2.gz CUNDJVWICCSSMY-KRWDZBQOSA-N 2 2 340.427 0.566 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000764152358 579571616 /nfs/dbraw/zinc/57/16/16/579571616.db2.gz QPCISYXSBSDIQZ-MRXNPFEDSA-N 2 2 336.480 0.649 20 30 ECEDLP C#CC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000843076342 589049424 /nfs/dbraw/zinc/04/94/24/589049424.db2.gz GRWBRMWHWCBFIJ-AEFFLSMTSA-N 2 2 347.459 0.152 20 30 ECEDLP C=CCOC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000804169229 587080705 /nfs/dbraw/zinc/08/07/05/587080705.db2.gz RRLAGXOLOKCIDP-CABCVRRESA-N 2 2 336.436 0.278 20 30 ECEDLP C=CCOC[C@@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000804169229 587080706 /nfs/dbraw/zinc/08/07/06/587080706.db2.gz RRLAGXOLOKCIDP-CABCVRRESA-N 2 2 336.436 0.278 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849540104 589339809 /nfs/dbraw/zinc/33/98/09/589339809.db2.gz BKEVFFLXJIFZPL-IRXDYDNUSA-N 2 2 329.448 0.233 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849540104 589339812 /nfs/dbraw/zinc/33/98/12/589339812.db2.gz BKEVFFLXJIFZPL-IRXDYDNUSA-N 2 2 329.448 0.233 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000856082272 589653848 /nfs/dbraw/zinc/65/38/48/589653848.db2.gz LRKYMANRDHQJCJ-GVDBMIGSSA-N 2 2 331.460 0.844 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000856082272 589653849 /nfs/dbraw/zinc/65/38/49/589653849.db2.gz LRKYMANRDHQJCJ-GVDBMIGSSA-N 2 2 331.460 0.844 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)CC1 ZINC000862645426 589953688 /nfs/dbraw/zinc/95/36/88/589953688.db2.gz YZLDQCRZOOFEOZ-IBGZPJMESA-N 2 2 349.475 0.064 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)CC1 ZINC000862645426 589953690 /nfs/dbraw/zinc/95/36/90/589953690.db2.gz YZLDQCRZOOFEOZ-IBGZPJMESA-N 2 2 349.475 0.064 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000880260961 590380084 /nfs/dbraw/zinc/38/00/84/590380084.db2.gz HBWIOCDVBYHBQH-KRWDZBQOSA-N 2 2 341.459 0.370 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000880260961 590380085 /nfs/dbraw/zinc/38/00/85/590380085.db2.gz HBWIOCDVBYHBQH-KRWDZBQOSA-N 2 2 341.459 0.370 20 30 ECEDLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000876747227 590408344 /nfs/dbraw/zinc/40/83/44/590408344.db2.gz YPZJCMIRMCXZGK-RDTXWAMCSA-N 2 2 342.443 0.830 20 30 ECEDLP C#CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CSC1 ZINC000878913121 590550804 /nfs/dbraw/zinc/55/08/04/590550804.db2.gz BOYCCVIYNNBGAP-INIZCTEOSA-N 2 2 339.505 0.510 20 30 ECEDLP C#CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CSC1 ZINC000878913121 590550806 /nfs/dbraw/zinc/55/08/06/590550806.db2.gz BOYCCVIYNNBGAP-INIZCTEOSA-N 2 2 339.505 0.510 20 30 ECEDLP C#CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CSC1 ZINC000878913121 590550808 /nfs/dbraw/zinc/55/08/08/590550808.db2.gz BOYCCVIYNNBGAP-INIZCTEOSA-N 2 2 339.505 0.510 20 30 ECEDLP C#CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CSC1 ZINC000878913121 590550810 /nfs/dbraw/zinc/55/08/10/590550810.db2.gz BOYCCVIYNNBGAP-INIZCTEOSA-N 2 2 339.505 0.510 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000889332551 590683131 /nfs/dbraw/zinc/68/31/31/590683131.db2.gz DPWQAQVWRMNZBG-IRXDYDNUSA-N 3 2 337.512 0.655 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000889332551 590683135 /nfs/dbraw/zinc/68/31/35/590683135.db2.gz DPWQAQVWRMNZBG-IRXDYDNUSA-N 3 2 337.512 0.655 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000889332551 590683137 /nfs/dbraw/zinc/68/31/37/590683137.db2.gz DPWQAQVWRMNZBG-IRXDYDNUSA-N 3 2 337.512 0.655 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000889332551 590683141 /nfs/dbraw/zinc/68/31/41/590683141.db2.gz DPWQAQVWRMNZBG-IRXDYDNUSA-N 3 2 337.512 0.655 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133515945 590706458 /nfs/dbraw/zinc/70/64/58/590706458.db2.gz DIFCXXVAGIUYDW-SFHVURJKSA-N 2 2 327.428 0.665 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133515945 590706462 /nfs/dbraw/zinc/70/64/62/590706462.db2.gz DIFCXXVAGIUYDW-SFHVURJKSA-N 2 2 327.428 0.665 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926142175 611518904 /nfs/dbraw/zinc/51/89/04/611518904.db2.gz NYMZHIBPUQAQCQ-MUDKKEKZSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926142175 611518906 /nfs/dbraw/zinc/51/89/06/611518906.db2.gz NYMZHIBPUQAQCQ-MUDKKEKZSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[NH+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926142175 611518908 /nfs/dbraw/zinc/51/89/08/611518908.db2.gz NYMZHIBPUQAQCQ-MUDKKEKZSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@]2(C[NH+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926142175 611518911 /nfs/dbraw/zinc/51/89/11/611518911.db2.gz NYMZHIBPUQAQCQ-MUDKKEKZSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[N@H+](CC#CC)CCO2 ZINC000949389136 608665653 /nfs/dbraw/zinc/66/56/53/608665653.db2.gz UKZHWBPGRSQBQC-SFHVURJKSA-N 2 2 343.471 0.801 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](CC#CC)CCO2 ZINC000949389136 608665655 /nfs/dbraw/zinc/66/56/55/608665655.db2.gz UKZHWBPGRSQBQC-SFHVURJKSA-N 2 2 343.471 0.801 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[NH+](CC#CC)CCO2 ZINC000949389136 608665657 /nfs/dbraw/zinc/66/56/57/608665657.db2.gz UKZHWBPGRSQBQC-SFHVURJKSA-N 2 2 343.471 0.801 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)C[NH+](CC#CC)CCO2 ZINC000949389136 608665660 /nfs/dbraw/zinc/66/56/60/608665660.db2.gz UKZHWBPGRSQBQC-SFHVURJKSA-N 2 2 343.471 0.801 20 30 ECEDLP C#CCN(C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000917228339 609964658 /nfs/dbraw/zinc/96/46/58/609964658.db2.gz SSJGPPYSKSPRGY-MRXNPFEDSA-N 2 2 335.496 0.361 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456526 610318827 /nfs/dbraw/zinc/31/88/27/610318827.db2.gz QUFXYFMBVYMJRS-SJLPKXTDSA-N 2 2 330.476 0.465 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456526 610318828 /nfs/dbraw/zinc/31/88/28/610318828.db2.gz QUFXYFMBVYMJRS-SJLPKXTDSA-N 2 2 330.476 0.465 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC000941474943 610331308 /nfs/dbraw/zinc/33/13/08/610331308.db2.gz GDKBJARNIIJNAY-UHFFFAOYSA-N 2 2 337.427 0.800 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)C1 ZINC000941636833 610422917 /nfs/dbraw/zinc/42/29/17/610422917.db2.gz VVBXIGACHHNHSH-IRXDYDNUSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC000941654988 610429837 /nfs/dbraw/zinc/42/98/37/610429837.db2.gz PMSFJNAAUKISOE-UHFFFAOYSA-N 2 2 329.448 0.204 20 30 ECEDLP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923334426 611230765 /nfs/dbraw/zinc/23/07/65/611230765.db2.gz XDVOFTXURHWKOV-SJORKVTESA-N 2 2 328.416 0.488 20 30 ECEDLP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923334426 611230767 /nfs/dbraw/zinc/23/07/67/611230767.db2.gz XDVOFTXURHWKOV-SJORKVTESA-N 2 2 328.416 0.488 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000949206021 611899717 /nfs/dbraw/zinc/89/97/17/611899717.db2.gz GTQURTYPOODRFZ-ZACQAIPSSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000949206021 611899719 /nfs/dbraw/zinc/89/97/19/611899719.db2.gz GTQURTYPOODRFZ-ZACQAIPSSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ncnn1C ZINC001024987222 738461518 /nfs/dbraw/zinc/46/15/18/738461518.db2.gz FYXJFYPPDJRHJG-CVEARBPZSA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ncnn1C ZINC001024987222 738461520 /nfs/dbraw/zinc/46/15/20/738461520.db2.gz FYXJFYPPDJRHJG-CVEARBPZSA-N 2 2 344.463 0.383 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC000969518227 731944862 /nfs/dbraw/zinc/94/48/62/731944862.db2.gz FMVWLPOJFLLOMB-HUUCEWRRSA-N 2 2 331.420 0.251 20 30 ECEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000970213726 733203852 /nfs/dbraw/zinc/20/38/52/733203852.db2.gz OPFUTCZJTXANKF-MAUKXSAKSA-N 2 2 333.476 0.947 20 30 ECEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000970213726 733203853 /nfs/dbraw/zinc/20/38/53/733203853.db2.gz OPFUTCZJTXANKF-MAUKXSAKSA-N 2 2 333.476 0.947 20 30 ECEDLP CC#CC[N@H+](CCO)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001098550415 734450995 /nfs/dbraw/zinc/45/09/95/734450995.db2.gz MSEDUPDJQUFBBB-UHFFFAOYSA-N 2 2 332.448 0.661 20 30 ECEDLP CC#CC[N@@H+](CCO)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001098550415 734450999 /nfs/dbraw/zinc/45/09/99/734450999.db2.gz MSEDUPDJQUFBBB-UHFFFAOYSA-N 2 2 332.448 0.661 20 30 ECEDLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078174550 782427966 /nfs/dbraw/zinc/42/79/66/782427966.db2.gz PCOQBYJYAALIRE-KBRIMQKVSA-N 2 2 346.406 0.310 20 30 ECEDLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078174550 782427969 /nfs/dbraw/zinc/42/79/69/782427969.db2.gz PCOQBYJYAALIRE-KBRIMQKVSA-N 2 2 346.406 0.310 20 30 ECEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078174550 782427975 /nfs/dbraw/zinc/42/79/75/782427975.db2.gz PCOQBYJYAALIRE-KBRIMQKVSA-N 2 2 346.406 0.310 20 30 ECEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078174550 782427981 /nfs/dbraw/zinc/42/79/81/782427981.db2.gz PCOQBYJYAALIRE-KBRIMQKVSA-N 2 2 346.406 0.310 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2O)CC1 ZINC001078226969 782521910 /nfs/dbraw/zinc/52/19/10/782521910.db2.gz CARCKRGQPGJGRV-HZPDHXFCSA-N 2 2 348.472 0.150 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2O)CC1 ZINC001078226969 782521917 /nfs/dbraw/zinc/52/19/17/782521917.db2.gz CARCKRGQPGJGRV-HZPDHXFCSA-N 2 2 348.472 0.150 20 30 ECEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475514 736294042 /nfs/dbraw/zinc/29/40/42/736294042.db2.gz NXHPEKRPWBGDMN-DHRZBBNESA-N 2 2 347.459 0.339 20 30 ECEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475514 736294046 /nfs/dbraw/zinc/29/40/46/736294046.db2.gz NXHPEKRPWBGDMN-DHRZBBNESA-N 2 2 347.459 0.339 20 30 ECEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475514 736294048 /nfs/dbraw/zinc/29/40/48/736294048.db2.gz NXHPEKRPWBGDMN-DHRZBBNESA-N 2 2 347.459 0.339 20 30 ECEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475514 736294050 /nfs/dbraw/zinc/29/40/50/736294050.db2.gz NXHPEKRPWBGDMN-DHRZBBNESA-N 2 2 347.459 0.339 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001023423967 736806766 /nfs/dbraw/zinc/80/67/66/736806766.db2.gz KVBMSPGUURWJEO-RDJZCZTQSA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001023423967 736806768 /nfs/dbraw/zinc/80/67/68/736806768.db2.gz KVBMSPGUURWJEO-RDJZCZTQSA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(=O)NC2CC2)C1 ZINC001023423967 736806771 /nfs/dbraw/zinc/80/67/71/736806771.db2.gz KVBMSPGUURWJEO-RDJZCZTQSA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(=O)NC2CC2)C1 ZINC001023423967 736806774 /nfs/dbraw/zinc/80/67/74/736806774.db2.gz KVBMSPGUURWJEO-RDJZCZTQSA-N 2 2 346.475 0.191 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001070010159 790315390 /nfs/dbraw/zinc/31/53/90/790315390.db2.gz DTFJCDLYUAURSK-CABCVRRESA-N 2 2 344.419 0.774 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001070010159 790315398 /nfs/dbraw/zinc/31/53/98/790315398.db2.gz DTFJCDLYUAURSK-CABCVRRESA-N 2 2 344.419 0.774 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105243777 741542937 /nfs/dbraw/zinc/54/29/37/741542937.db2.gz ISECDSBZNNLXPV-CZUORRHYSA-N 2 2 330.436 0.115 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105243777 741542940 /nfs/dbraw/zinc/54/29/40/741542940.db2.gz ISECDSBZNNLXPV-CZUORRHYSA-N 2 2 330.436 0.115 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)nn1 ZINC001105268425 741610849 /nfs/dbraw/zinc/61/08/49/741610849.db2.gz NKDPBSVODSOOPC-DOTOQJQBSA-N 2 2 342.447 0.401 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)nn1 ZINC001105268425 741610850 /nfs/dbraw/zinc/61/08/50/741610850.db2.gz NKDPBSVODSOOPC-DOTOQJQBSA-N 2 2 342.447 0.401 20 30 ECEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCO[C@@H](COC)C1 ZINC000261943880 742942895 /nfs/dbraw/zinc/94/28/95/742942895.db2.gz NBCHKGFQNMBIKW-OAHLLOKOSA-N 2 2 335.452 0.685 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3nncn3C)C2)CC1 ZINC001029001915 743153338 /nfs/dbraw/zinc/15/33/38/743153338.db2.gz GHCWIINYXMMHPG-OAHLLOKOSA-N 2 2 344.463 0.098 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3nncn3C)C2)CC1 ZINC001029001915 743153347 /nfs/dbraw/zinc/15/33/47/743153347.db2.gz GHCWIINYXMMHPG-OAHLLOKOSA-N 2 2 344.463 0.098 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(CC)o2)C1 ZINC000998922605 744407130 /nfs/dbraw/zinc/40/71/30/744407130.db2.gz KPVDRGQCGCHGFP-NRXISQOPSA-N 2 2 345.447 0.809 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(CC)o2)C1 ZINC000998922605 744407132 /nfs/dbraw/zinc/40/71/32/744407132.db2.gz KPVDRGQCGCHGFP-NRXISQOPSA-N 2 2 345.447 0.809 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000998927077 744409730 /nfs/dbraw/zinc/40/97/30/744409730.db2.gz BDMPPHURQLUBMC-NRXISQOPSA-N 2 2 330.436 0.290 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000998927077 744409731 /nfs/dbraw/zinc/40/97/31/744409731.db2.gz BDMPPHURQLUBMC-NRXISQOPSA-N 2 2 330.436 0.290 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978527077 746406325 /nfs/dbraw/zinc/40/63/25/746406325.db2.gz PUHVVAJICGTTDQ-OKYOBFRVSA-N 2 2 345.487 0.805 20 30 ECEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978527077 746406329 /nfs/dbraw/zinc/40/63/29/746406329.db2.gz PUHVVAJICGTTDQ-OKYOBFRVSA-N 2 2 345.487 0.805 20 30 ECEDLP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)[C@@H]2C1 ZINC000978527077 746406336 /nfs/dbraw/zinc/40/63/36/746406336.db2.gz PUHVVAJICGTTDQ-OKYOBFRVSA-N 2 2 345.487 0.805 20 30 ECEDLP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@H+]3CC3CCC3)[C@@H]2C1 ZINC000978527077 746406341 /nfs/dbraw/zinc/40/63/41/746406341.db2.gz PUHVVAJICGTTDQ-OKYOBFRVSA-N 2 2 345.487 0.805 20 30 ECEDLP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001001674443 746588575 /nfs/dbraw/zinc/58/85/75/746588575.db2.gz PZOPUMKOBLQFME-MSOLQXFVSA-N 2 2 349.475 0.328 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001027805202 747920297 /nfs/dbraw/zinc/92/02/97/747920297.db2.gz PCVBHISHWWKYDO-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001027805202 747920300 /nfs/dbraw/zinc/92/03/00/747920300.db2.gz PCVBHISHWWKYDO-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC001027805202 747920303 /nfs/dbraw/zinc/92/03/03/747920303.db2.gz PCVBHISHWWKYDO-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC001027805202 747920305 /nfs/dbraw/zinc/92/03/05/747920305.db2.gz PCVBHISHWWKYDO-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)nn1 ZINC001105345525 748896086 /nfs/dbraw/zinc/89/60/86/748896086.db2.gz FNBHJEQJBCMSLY-KRWDZBQOSA-N 2 2 346.479 0.751 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ncccn3)CC2)CC1 ZINC001004208060 749317789 /nfs/dbraw/zinc/31/77/89/749317789.db2.gz KMDXBOWLCJBECR-UHFFFAOYSA-N 2 2 341.459 0.902 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC000980539435 749709230 /nfs/dbraw/zinc/70/92/30/749709230.db2.gz QWQXTLBLMMRSMV-LSDHHAIUSA-N 2 2 331.420 0.203 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC000980539435 749709237 /nfs/dbraw/zinc/70/92/37/749709237.db2.gz QWQXTLBLMMRSMV-LSDHHAIUSA-N 2 2 331.420 0.203 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC000980834086 750238029 /nfs/dbraw/zinc/23/80/29/750238029.db2.gz NNIDSGZNWFFCJN-HOTGVXAUSA-N 2 2 334.464 0.402 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000980834086 750238031 /nfs/dbraw/zinc/23/80/31/750238031.db2.gz NNIDSGZNWFFCJN-HOTGVXAUSA-N 2 2 334.464 0.402 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1=O ZINC000980834086 750238035 /nfs/dbraw/zinc/23/80/35/750238035.db2.gz NNIDSGZNWFFCJN-HOTGVXAUSA-N 2 2 334.464 0.402 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1=O ZINC000980834086 750238038 /nfs/dbraw/zinc/23/80/38/750238038.db2.gz NNIDSGZNWFFCJN-HOTGVXAUSA-N 2 2 334.464 0.402 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)nn1 ZINC001105363045 752323822 /nfs/dbraw/zinc/32/38/22/752323822.db2.gz PBHNYHVQFJBSLE-GOEBONIOSA-N 2 2 344.463 0.505 20 30 ECEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083368228 753703162 /nfs/dbraw/zinc/70/31/62/753703162.db2.gz HBNUMYXOMZJDEZ-ZACQAIPSSA-N 2 2 328.416 0.314 20 30 ECEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083368228 753703168 /nfs/dbraw/zinc/70/31/68/753703168.db2.gz HBNUMYXOMZJDEZ-ZACQAIPSSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083368228 753703172 /nfs/dbraw/zinc/70/31/72/753703172.db2.gz HBNUMYXOMZJDEZ-ZACQAIPSSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083368228 753703177 /nfs/dbraw/zinc/70/31/77/753703177.db2.gz HBNUMYXOMZJDEZ-ZACQAIPSSA-N 2 2 328.416 0.314 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001028600808 753876167 /nfs/dbraw/zinc/87/61/67/753876167.db2.gz DOIFFLCJDIFSJG-GJZGRUSLSA-N 2 2 347.488 0.882 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001028600808 753876175 /nfs/dbraw/zinc/87/61/75/753876175.db2.gz DOIFFLCJDIFSJG-GJZGRUSLSA-N 2 2 347.488 0.882 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2snnc2C)C1 ZINC001028600808 753876182 /nfs/dbraw/zinc/87/61/82/753876182.db2.gz DOIFFLCJDIFSJG-GJZGRUSLSA-N 2 2 347.488 0.882 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2snnc2C)C1 ZINC001028600808 753876186 /nfs/dbraw/zinc/87/61/86/753876186.db2.gz DOIFFLCJDIFSJG-GJZGRUSLSA-N 2 2 347.488 0.882 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001009513062 754965079 /nfs/dbraw/zinc/96/50/79/754965079.db2.gz FBCUQJZAEDIJLO-HOTGVXAUSA-N 2 2 334.464 0.450 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001009513062 754965082 /nfs/dbraw/zinc/96/50/82/754965082.db2.gz FBCUQJZAEDIJLO-HOTGVXAUSA-N 2 2 334.464 0.450 20 30 ECEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105655315 755205034 /nfs/dbraw/zinc/20/50/34/755205034.db2.gz HJIPZGAVISZVOK-ZAWLATJESA-N 2 2 344.459 0.942 20 30 ECEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105660998 755324614 /nfs/dbraw/zinc/32/46/14/755324614.db2.gz CFKUCICBQMFSTQ-OHDICMOHSA-N 2 2 344.459 0.942 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001076601289 756717672 /nfs/dbraw/zinc/71/76/72/756717672.db2.gz LSDWLKQHUWDIEL-HOCLYGCPSA-N 2 2 345.447 0.300 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001076601289 756717679 /nfs/dbraw/zinc/71/76/79/756717679.db2.gz LSDWLKQHUWDIEL-HOCLYGCPSA-N 2 2 345.447 0.300 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+]3CCC(C)(C)C3)nn2)C1 ZINC001107212077 757741728 /nfs/dbraw/zinc/74/17/28/757741728.db2.gz MZTHDEWKJWGGBI-UHFFFAOYSA-N 2 2 344.463 0.506 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+]3CCC(C)(C)C3)nn2)C1 ZINC001107212077 757741737 /nfs/dbraw/zinc/74/17/37/757741737.db2.gz MZTHDEWKJWGGBI-UHFFFAOYSA-N 2 2 344.463 0.506 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1O ZINC001077159313 758377478 /nfs/dbraw/zinc/37/74/78/758377478.db2.gz YXYWUSIVBATKAW-FGTMMUONSA-N 2 2 349.475 0.062 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1O ZINC001077159313 758377488 /nfs/dbraw/zinc/37/74/88/758377488.db2.gz YXYWUSIVBATKAW-FGTMMUONSA-N 2 2 349.475 0.062 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001077159313 758377496 /nfs/dbraw/zinc/37/74/96/758377496.db2.gz YXYWUSIVBATKAW-FGTMMUONSA-N 2 2 349.475 0.062 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1O ZINC001077159313 758377504 /nfs/dbraw/zinc/37/75/04/758377504.db2.gz YXYWUSIVBATKAW-FGTMMUONSA-N 2 2 349.475 0.062 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1=O ZINC001022231005 758455837 /nfs/dbraw/zinc/45/58/37/758455837.db2.gz OCIDPKVJHKVGBS-KHMAMNHCSA-N 2 2 343.431 0.537 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1=O ZINC001022231005 758455840 /nfs/dbraw/zinc/45/58/40/758455840.db2.gz OCIDPKVJHKVGBS-KHMAMNHCSA-N 2 2 343.431 0.537 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=O)N(C)C ZINC001049528069 758865180 /nfs/dbraw/zinc/86/51/80/758865180.db2.gz BQYWBMHBXMCVQQ-BBWFWOEESA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001049528069 758865191 /nfs/dbraw/zinc/86/51/91/758865191.db2.gz BQYWBMHBXMCVQQ-BBWFWOEESA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(=O)N(C)C ZINC001049528069 758865199 /nfs/dbraw/zinc/86/51/99/758865199.db2.gz BQYWBMHBXMCVQQ-BBWFWOEESA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(=O)N(C)C ZINC001049528069 758865210 /nfs/dbraw/zinc/86/52/10/758865210.db2.gz BQYWBMHBXMCVQQ-BBWFWOEESA-N 2 2 346.475 0.238 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001030026435 760727774 /nfs/dbraw/zinc/72/77/74/760727774.db2.gz XEZBAULDNUGEOP-IKGGRYGDSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001030026435 760727788 /nfs/dbraw/zinc/72/77/88/760727788.db2.gz XEZBAULDNUGEOP-IKGGRYGDSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)C1=O ZINC001030026435 760727800 /nfs/dbraw/zinc/72/78/00/760727800.db2.gz XEZBAULDNUGEOP-IKGGRYGDSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)C1=O ZINC001030026435 760727811 /nfs/dbraw/zinc/72/78/11/760727811.db2.gz XEZBAULDNUGEOP-IKGGRYGDSA-N 2 2 348.491 0.838 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995926138 760788957 /nfs/dbraw/zinc/78/89/57/760788957.db2.gz TZFFAQWBFQTCNG-JKSUJKDBSA-N 2 2 344.463 0.239 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)n2)C(C)(C)C1 ZINC000995926138 760788966 /nfs/dbraw/zinc/78/89/66/760788966.db2.gz TZFFAQWBFQTCNG-JKSUJKDBSA-N 2 2 344.463 0.239 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001106274621 768048186 /nfs/dbraw/zinc/04/81/86/768048186.db2.gz NTOGUKDFRIYZEW-KBUPBQIOSA-N 2 2 345.447 0.500 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001106274621 768048190 /nfs/dbraw/zinc/04/81/90/768048190.db2.gz NTOGUKDFRIYZEW-KBUPBQIOSA-N 2 2 345.447 0.500 20 30 ECEDLP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046949493 763442731 /nfs/dbraw/zinc/44/27/31/763442731.db2.gz VBIPUFHIJJVACS-RBSFLKMASA-N 2 2 343.418 0.802 20 30 ECEDLP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046949493 763442733 /nfs/dbraw/zinc/44/27/33/763442733.db2.gz VBIPUFHIJJVACS-RBSFLKMASA-N 2 2 343.418 0.802 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046949493 763442735 /nfs/dbraw/zinc/44/27/35/763442735.db2.gz VBIPUFHIJJVACS-RBSFLKMASA-N 2 2 343.418 0.802 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046949493 763442739 /nfs/dbraw/zinc/44/27/39/763442739.db2.gz VBIPUFHIJJVACS-RBSFLKMASA-N 2 2 343.418 0.802 20 30 ECEDLP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001052000065 763556673 /nfs/dbraw/zinc/55/66/73/763556673.db2.gz KXTKDMPCHRGIHL-IAGOWNOFSA-N 2 2 336.480 0.112 20 30 ECEDLP C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001052000065 763556679 /nfs/dbraw/zinc/55/66/79/763556679.db2.gz KXTKDMPCHRGIHL-IAGOWNOFSA-N 2 2 336.480 0.112 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031782 763633537 /nfs/dbraw/zinc/63/35/37/763633537.db2.gz WRCZPLKKXKYDPP-OKZBNKHCSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031782 763633542 /nfs/dbraw/zinc/63/35/42/763633542.db2.gz WRCZPLKKXKYDPP-OKZBNKHCSA-N 2 2 332.492 0.568 20 30 ECEDLP CC(C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)[NH+]1CCCC1 ZINC001052119636 763936301 /nfs/dbraw/zinc/93/63/01/763936301.db2.gz SZCJRKUCEYGUML-ROUUACIJSA-N 2 2 347.507 0.849 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)O2 ZINC001053699353 766617075 /nfs/dbraw/zinc/61/70/75/766617075.db2.gz DFXLEENMCDQQAP-HOTGVXAUSA-N 2 2 337.464 0.633 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)O2 ZINC001053699353 766617077 /nfs/dbraw/zinc/61/70/77/766617077.db2.gz DFXLEENMCDQQAP-HOTGVXAUSA-N 2 2 337.464 0.633 20 30 ECEDLP C[C@H]1C[C@@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC[N@@H+]1C ZINC001046055443 766806142 /nfs/dbraw/zinc/80/61/42/766806142.db2.gz XWBKCGRZDVDHRO-ULQDDVLXSA-N 2 2 333.480 0.459 20 30 ECEDLP C[C@H]1C[C@@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC[N@H+]1C ZINC001046055443 766806149 /nfs/dbraw/zinc/80/61/49/766806149.db2.gz XWBKCGRZDVDHRO-ULQDDVLXSA-N 2 2 333.480 0.459 20 30 ECEDLP CC1CC[NH+](CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046074359 766888832 /nfs/dbraw/zinc/88/88/32/766888832.db2.gz ZGLPCZIDZYNNLU-QGZVFWFLSA-N 2 2 333.480 0.460 20 30 ECEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046082603 766921634 /nfs/dbraw/zinc/92/16/34/766921634.db2.gz YBCFRUAIPYXLGW-KRWDZBQOSA-N 2 2 329.448 0.204 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046082603 766921636 /nfs/dbraw/zinc/92/16/36/766921636.db2.gz YBCFRUAIPYXLGW-KRWDZBQOSA-N 2 2 329.448 0.204 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC001031742796 767006898 /nfs/dbraw/zinc/00/68/98/767006898.db2.gz RLYOJEVKTYSWGN-DLBZAZTESA-N 2 2 346.475 0.141 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC001031742796 767006907 /nfs/dbraw/zinc/00/69/07/767006907.db2.gz RLYOJEVKTYSWGN-DLBZAZTESA-N 2 2 346.475 0.141 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053905198 767316745 /nfs/dbraw/zinc/31/67/45/767316745.db2.gz YVZZHZDOPHUOIJ-HOTGVXAUSA-N 2 2 335.448 0.078 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053905198 767316752 /nfs/dbraw/zinc/31/67/52/767316752.db2.gz YVZZHZDOPHUOIJ-HOTGVXAUSA-N 2 2 335.448 0.078 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001018266446 769000942 /nfs/dbraw/zinc/00/09/42/769000942.db2.gz OJEVELVQIJQZBB-NXOAAHMSSA-N 2 2 346.475 0.400 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001018266446 769000949 /nfs/dbraw/zinc/00/09/49/769000949.db2.gz OJEVELVQIJQZBB-NXOAAHMSSA-N 2 2 346.475 0.400 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001018266446 769000954 /nfs/dbraw/zinc/00/09/54/769000954.db2.gz OJEVELVQIJQZBB-NXOAAHMSSA-N 2 2 346.475 0.400 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001018266446 769000960 /nfs/dbraw/zinc/00/09/60/769000960.db2.gz OJEVELVQIJQZBB-NXOAAHMSSA-N 2 2 346.475 0.400 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2csnn2)C1 ZINC001020250701 772350530 /nfs/dbraw/zinc/35/05/30/772350530.db2.gz LRWSXLWXXJQGDH-BHPKHCPMSA-N 2 2 333.461 0.934 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001070096248 790592593 /nfs/dbraw/zinc/59/25/93/790592593.db2.gz PXMIMYDYLXSKLY-CABCVRRESA-N 2 2 329.408 0.401 20 30 ECEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001070096248 790592603 /nfs/dbraw/zinc/59/26/03/790592603.db2.gz PXMIMYDYLXSKLY-CABCVRRESA-N 2 2 329.408 0.401 20 30 ECEDLP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001070384684 783925566 /nfs/dbraw/zinc/92/55/66/783925566.db2.gz DGGTYBRVJPUEMY-QAPCUYQASA-N 2 2 345.447 0.545 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001070983965 784320984 /nfs/dbraw/zinc/32/09/84/784320984.db2.gz NSQAIJNDZMSHJA-UHFFFAOYSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001070983965 784320996 /nfs/dbraw/zinc/32/09/96/784320996.db2.gz NSQAIJNDZMSHJA-UHFFFAOYSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001073670373 786925633 /nfs/dbraw/zinc/92/56/33/786925633.db2.gz HHQGGRDBPXJREI-CVEARBPZSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001073670373 786925642 /nfs/dbraw/zinc/92/56/42/786925642.db2.gz HHQGGRDBPXJREI-CVEARBPZSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CC[N@H+]1CCC2(CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C2)C1 ZINC001073026937 789297765 /nfs/dbraw/zinc/29/77/65/789297765.db2.gz UBHIOCIOZBLRTC-UHFFFAOYSA-N 2 2 331.460 0.799 20 30 ECEDLP C#CC[N@@H+]1CCC2(CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C2)C1 ZINC001073026937 789297771 /nfs/dbraw/zinc/29/77/71/789297771.db2.gz UBHIOCIOZBLRTC-UHFFFAOYSA-N 2 2 331.460 0.799 20 30 ECEDLP C#CC[NH2+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001075415172 789343255 /nfs/dbraw/zinc/34/32/55/789343255.db2.gz FSIDZWISVUVKLU-PKOBYXMFSA-N 2 2 344.459 0.972 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267455405 837440691 /nfs/dbraw/zinc/44/06/91/837440691.db2.gz ZGGKWCXXXFAKQO-CVEARBPZSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267455405 837440698 /nfs/dbraw/zinc/44/06/98/837440698.db2.gz ZGGKWCXXXFAKQO-CVEARBPZSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267455405 837440703 /nfs/dbraw/zinc/44/07/03/837440703.db2.gz ZGGKWCXXXFAKQO-CVEARBPZSA-N 2 2 336.480 0.696 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267567783 837788879 /nfs/dbraw/zinc/78/88/79/837788879.db2.gz OWVDIUPBQCVBKK-HZPDHXFCSA-N 2 2 345.447 0.412 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267567783 837788887 /nfs/dbraw/zinc/78/88/87/837788887.db2.gz OWVDIUPBQCVBKK-HZPDHXFCSA-N 2 2 345.447 0.412 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266474535 835877388 /nfs/dbraw/zinc/87/73/88/835877388.db2.gz QGOXOBGJWAWAPH-OAHLLOKOSA-N 2 2 334.464 0.191 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266474535 835877391 /nfs/dbraw/zinc/87/73/91/835877391.db2.gz QGOXOBGJWAWAPH-OAHLLOKOSA-N 2 2 334.464 0.191 20 30 ECEDLP N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266535092 835953342 /nfs/dbraw/zinc/95/33/42/835953342.db2.gz SNNWHCOGAZAWPO-LBPRGKRZSA-N 2 2 326.360 0.007 20 30 ECEDLP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267001332 836591599 /nfs/dbraw/zinc/59/15/99/836591599.db2.gz NSJJNKHBJQFWHJ-HNNXBMFYSA-N 2 2 347.463 0.863 20 30 ECEDLP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267001332 836591605 /nfs/dbraw/zinc/59/16/05/836591605.db2.gz NSJJNKHBJQFWHJ-HNNXBMFYSA-N 2 2 347.463 0.863 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267112194 836799065 /nfs/dbraw/zinc/79/90/65/836799065.db2.gz PRGFAUVQDXGFPD-DZGCQCFKSA-N 2 2 333.436 0.566 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267112194 836799070 /nfs/dbraw/zinc/79/90/70/836799070.db2.gz PRGFAUVQDXGFPD-DZGCQCFKSA-N 2 2 333.436 0.566 20 30 ECEDLP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CC(=O)NCC#N ZINC001267250299 837067335 /nfs/dbraw/zinc/06/73/35/837067335.db2.gz IGJVUHRFLGFHKO-HNNXBMFYSA-N 2 2 337.468 0.329 20 30 ECEDLP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CC(=O)NCC#N ZINC001267250299 837067344 /nfs/dbraw/zinc/06/73/44/837067344.db2.gz IGJVUHRFLGFHKO-HNNXBMFYSA-N 2 2 337.468 0.329 20 30 ECEDLP CNS(=O)(=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000187189983 530017743 /nfs/dbraw/zinc/01/77/43/530017743.db2.gz NRISKQGHDVANII-UHFFFAOYSA-N 2 2 336.461 0.661 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000299134972 533147911 /nfs/dbraw/zinc/14/79/11/533147911.db2.gz GKORCOVFFAMKOE-UHFFFAOYSA-N 2 2 342.443 0.880 20 30 ECEDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C1 ZINC000373811926 266154031 /nfs/dbraw/zinc/15/40/31/266154031.db2.gz JPZTWORZUNMPRR-SFHVURJKSA-N 2 2 331.464 0.735 20 30 ECEDLP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C1 ZINC000373811926 266154034 /nfs/dbraw/zinc/15/40/34/266154034.db2.gz JPZTWORZUNMPRR-SFHVURJKSA-N 2 2 331.464 0.735 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107370669 436612169 /nfs/dbraw/zinc/61/21/69/436612169.db2.gz CEZYEQIWVSMTSF-LSDHHAIUSA-N 2 2 337.468 0.099 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107370669 436612171 /nfs/dbraw/zinc/61/21/71/436612171.db2.gz CEZYEQIWVSMTSF-LSDHHAIUSA-N 2 2 337.468 0.099 20 30 ECEDLP CCNC(=O)CO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000108351967 436617717 /nfs/dbraw/zinc/61/77/17/436617717.db2.gz SIOBXBAAXLVKIA-UHFFFAOYSA-N 2 2 347.463 0.619 20 30 ECEDLP CCNC(=O)CO[NH+]=C(N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000108351967 436617719 /nfs/dbraw/zinc/61/77/19/436617719.db2.gz SIOBXBAAXLVKIA-UHFFFAOYSA-N 2 2 347.463 0.619 20 30 ECEDLP C[C@@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CC2)C[C@H]1n1cc[nH+]c1 ZINC000262290539 436923663 /nfs/dbraw/zinc/92/36/63/436923663.db2.gz LCFXQSBKNFMKPL-UKRRQHHQSA-N 2 2 332.452 0.962 20 30 ECEDLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)N[C@H]1CCOc2ccccc21 ZINC000304513090 437159137 /nfs/dbraw/zinc/15/91/37/437159137.db2.gz XSORTIIEANFJHK-HIFRSBDPSA-N 2 2 334.420 0.108 20 30 ECEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329704113 437403175 /nfs/dbraw/zinc/40/31/75/437403175.db2.gz IOOWUKXKOMVKGO-RDBSUJKOSA-N 2 2 333.436 0.976 20 30 ECEDLP C[C@H]([C@H](C)NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000329637907 437394632 /nfs/dbraw/zinc/39/46/32/437394632.db2.gz YUWVJMXUUSCXHV-LJISPDSOSA-N 2 2 326.441 0.024 20 30 ECEDLP C[C@H]([C@H](C)NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000329637907 437394635 /nfs/dbraw/zinc/39/46/35/437394635.db2.gz YUWVJMXUUSCXHV-LJISPDSOSA-N 2 2 326.441 0.024 20 30 ECEDLP CC(C)[NH+]1CCC(O)(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330280339 437479206 /nfs/dbraw/zinc/47/92/06/437479206.db2.gz SGUSFNRYRHEBCQ-AWEZNQCLSA-N 2 2 335.452 0.937 20 30 ECEDLP CC(C)[NH+]1CCC(O)(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330280339 437479207 /nfs/dbraw/zinc/47/92/07/437479207.db2.gz SGUSFNRYRHEBCQ-AWEZNQCLSA-N 2 2 335.452 0.937 20 30 ECEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329961495 437438241 /nfs/dbraw/zinc/43/82/41/437438241.db2.gz RQJACDZBNTZRKP-CABCVRRESA-N 2 2 334.468 0.585 20 30 ECEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330542735 437547960 /nfs/dbraw/zinc/54/79/60/437547960.db2.gz XAWYDTANYWIJQE-ZIFCJYIRSA-N 2 2 349.523 0.999 20 30 ECEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330542735 437547969 /nfs/dbraw/zinc/54/79/69/437547969.db2.gz XAWYDTANYWIJQE-ZIFCJYIRSA-N 2 2 349.523 0.999 20 30 ECEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 ZINC000360742653 437641536 /nfs/dbraw/zinc/64/15/36/437641536.db2.gz ZVGCNSVFSBHUDE-KRWDZBQOSA-N 2 2 348.495 0.394 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000343771952 437654213 /nfs/dbraw/zinc/65/42/13/437654213.db2.gz VNNHGANVTLLZFP-UHFFFAOYSA-N 2 2 333.436 0.498 20 30 ECEDLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424161921 437896046 /nfs/dbraw/zinc/89/60/46/437896046.db2.gz ZAQJRBAUJOVLLF-GJZGRUSLSA-N 2 2 335.452 0.163 20 30 ECEDLP CC1(C#N)CCC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000449220024 438685861 /nfs/dbraw/zinc/68/58/61/438685861.db2.gz BZMAKKJTCDCGJJ-UPTPFMHGSA-N 2 2 334.464 0.982 20 30 ECEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccsc3C#N)CC2)CC1 ZINC000595629636 438836660 /nfs/dbraw/zinc/83/66/60/438836660.db2.gz HOOAGAOTMRPANZ-UHFFFAOYSA-N 2 2 347.488 0.906 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000579108879 438981449 /nfs/dbraw/zinc/98/14/49/438981449.db2.gz INKWIAXFLXXQIB-HNNXBMFYSA-N 2 2 337.445 0.378 20 30 ECEDLP C[C@H](CC#N)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000597167580 439051640 /nfs/dbraw/zinc/05/16/40/439051640.db2.gz KYQURHYDZMRINV-OAHLLOKOSA-N 2 2 349.479 0.233 20 30 ECEDLP N#CC[C@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000592146294 439164980 /nfs/dbraw/zinc/16/49/80/439164980.db2.gz GXWXBWXTVLCLPM-IBGZPJMESA-N 2 2 342.443 0.681 20 30 ECEDLP N#CC[C@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000592146294 439164986 /nfs/dbraw/zinc/16/49/86/439164986.db2.gz GXWXBWXTVLCLPM-IBGZPJMESA-N 2 2 342.443 0.681 20 30 ECEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)C1 ZINC000592499465 439241294 /nfs/dbraw/zinc/24/12/94/439241294.db2.gz DJGNCXMHBIPUJK-KRWDZBQOSA-N 2 2 339.447 0.813 20 30 ECEDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)C1 ZINC000592499465 439241296 /nfs/dbraw/zinc/24/12/96/439241296.db2.gz DJGNCXMHBIPUJK-KRWDZBQOSA-N 2 2 339.447 0.813 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)CC1 ZINC000490972514 439320369 /nfs/dbraw/zinc/32/03/69/439320369.db2.gz GIZKQLSTDPVGGD-QGZVFWFLSA-N 2 2 349.475 0.818 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)CC1 ZINC000490972514 439320374 /nfs/dbraw/zinc/32/03/74/439320374.db2.gz GIZKQLSTDPVGGD-QGZVFWFLSA-N 2 2 349.475 0.818 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(CC(=O)OCC)CC2)CC1 ZINC000490779777 439297568 /nfs/dbraw/zinc/29/75/68/439297568.db2.gz ZAGHONSNYLPLCO-UHFFFAOYSA-N 2 2 335.448 0.429 20 30 ECEDLP C#CCNC(=O)[C@H](C)O[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000490778908 439298737 /nfs/dbraw/zinc/29/87/37/439298737.db2.gz OLHKSYORLARABA-AWEZNQCLSA-N 2 2 344.415 0.294 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC3(C[C@@H]3C(=O)OC)CC2)CC1 ZINC000490839675 439303495 /nfs/dbraw/zinc/30/34/95/439303495.db2.gz JGSYJAWMNDXQRF-OAHLLOKOSA-N 2 2 333.432 0.039 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)CC1 ZINC000491298217 439364843 /nfs/dbraw/zinc/36/48/43/439364843.db2.gz UWJMAVXSHOYXOV-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)CC1 ZINC000491298217 439364848 /nfs/dbraw/zinc/36/48/48/439364848.db2.gz UWJMAVXSHOYXOV-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)CC1 ZINC000491209426 439347467 /nfs/dbraw/zinc/34/74/67/439347467.db2.gz HBDRNKOZZQSYEV-HNNXBMFYSA-N 2 2 343.431 0.514 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)CC1 ZINC000491209426 439347473 /nfs/dbraw/zinc/34/74/73/439347473.db2.gz HBDRNKOZZQSYEV-HNNXBMFYSA-N 2 2 343.431 0.514 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2N(C)C)CC1 ZINC000491231218 439355021 /nfs/dbraw/zinc/35/50/21/439355021.db2.gz RHOTXRKOUZVIFS-UHFFFAOYSA-N 2 2 328.460 0.962 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2N(C)C)CC1 ZINC000491231218 439355027 /nfs/dbraw/zinc/35/50/27/439355027.db2.gz RHOTXRKOUZVIFS-UHFFFAOYSA-N 2 2 328.460 0.962 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC(=O)NC)c2ccccc2)CC1 ZINC000491243154 439356817 /nfs/dbraw/zinc/35/68/17/439356817.db2.gz VGOGOVPDMLYCFF-QGZVFWFLSA-N 2 2 342.443 0.231 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000491372633 439374704 /nfs/dbraw/zinc/37/47/04/439374704.db2.gz KEUDARIRESDIEA-UHFFFAOYSA-N 2 2 332.452 0.202 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000491372633 439374707 /nfs/dbraw/zinc/37/47/07/439374707.db2.gz KEUDARIRESDIEA-UHFFFAOYSA-N 2 2 332.452 0.202 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)CC1 ZINC000491676219 439427285 /nfs/dbraw/zinc/42/72/85/439427285.db2.gz YWSJGUSQPFOCEV-GOSISDBHSA-N 2 2 342.443 0.450 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](OCc3ccncc3)C2)CC1 ZINC000491676219 439427289 /nfs/dbraw/zinc/42/72/89/439427289.db2.gz YWSJGUSQPFOCEV-GOSISDBHSA-N 2 2 342.443 0.450 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000600759951 439700759 /nfs/dbraw/zinc/70/07/59/439700759.db2.gz SUEIDDQZRGLODQ-HOTGVXAUSA-N 2 2 346.431 0.227 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000600759951 439700763 /nfs/dbraw/zinc/70/07/63/439700763.db2.gz SUEIDDQZRGLODQ-HOTGVXAUSA-N 2 2 346.431 0.227 20 30 ECEDLP C[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C[NH+]1CCOCC1 ZINC000600723809 439696276 /nfs/dbraw/zinc/69/62/76/439696276.db2.gz MEFSZDQYHADVGK-HZPDHXFCSA-N 2 2 325.453 0.616 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)CCOCC1 ZINC000600741207 439697752 /nfs/dbraw/zinc/69/77/52/439697752.db2.gz CLBYYYNEKPKHIG-HOTGVXAUSA-N 2 2 325.453 0.494 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CCOCC1 ZINC000600741207 439697757 /nfs/dbraw/zinc/69/77/57/439697757.db2.gz CLBYYYNEKPKHIG-HOTGVXAUSA-N 2 2 325.453 0.494 20 30 ECEDLP C=CC[C@]1(C(=O)N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)CCC[NH2+]1 ZINC000662753345 439875459 /nfs/dbraw/zinc/87/54/59/439875459.db2.gz YOSXHABGYVYRGT-VQIMIIECSA-N 2 2 348.491 0.840 20 30 ECEDLP Cn1ccnc1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329195118 546016988 /nfs/dbraw/zinc/01/69/88/546016988.db2.gz SFYXRWRHHXESFS-UHFFFAOYSA-N 2 2 334.468 0.982 20 30 ECEDLP Cn1cc[nH+]c1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329195118 546016996 /nfs/dbraw/zinc/01/69/96/546016996.db2.gz SFYXRWRHHXESFS-UHFFFAOYSA-N 3 2 334.468 0.982 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN(C)CC[NH+]2C)C1 ZINC000329503609 546026166 /nfs/dbraw/zinc/02/61/66/546026166.db2.gz ZBMRXQWNVYYFEG-CVEARBPZSA-N 2 2 325.501 0.856 20 30 ECEDLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CN(C)CC[NH+]2C)C1 ZINC000329503609 546026169 /nfs/dbraw/zinc/02/61/69/546026169.db2.gz ZBMRXQWNVYYFEG-CVEARBPZSA-N 2 2 325.501 0.856 20 30 ECEDLP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC000329503609 546026173 /nfs/dbraw/zinc/02/61/73/546026173.db2.gz ZBMRXQWNVYYFEG-CVEARBPZSA-N 2 2 325.501 0.856 20 30 ECEDLP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)C1 ZINC000329503609 546026178 /nfs/dbraw/zinc/02/61/78/546026178.db2.gz ZBMRXQWNVYYFEG-CVEARBPZSA-N 2 2 325.501 0.856 20 30 ECEDLP C=CCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639678 548365215 /nfs/dbraw/zinc/36/52/15/548365215.db2.gz DXNXUYZSVJODBM-HNNXBMFYSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639678 548365222 /nfs/dbraw/zinc/36/52/22/548365222.db2.gz DXNXUYZSVJODBM-HNNXBMFYSA-N 2 2 336.480 0.744 20 30 ECEDLP C#CCNC(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000750835291 579359273 /nfs/dbraw/zinc/35/92/73/579359273.db2.gz LNIMUSHDZOHLGA-UHFFFAOYSA-N 3 2 334.508 0.864 20 30 ECEDLP C#CCNC(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000750835291 579359274 /nfs/dbraw/zinc/35/92/74/579359274.db2.gz LNIMUSHDZOHLGA-UHFFFAOYSA-N 3 2 334.508 0.864 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000730275444 578304370 /nfs/dbraw/zinc/30/43/70/578304370.db2.gz GNWMQPKOKVRHSS-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000730275444 578304371 /nfs/dbraw/zinc/30/43/71/578304371.db2.gz GNWMQPKOKVRHSS-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC000730275444 578304372 /nfs/dbraw/zinc/30/43/72/578304372.db2.gz GNWMQPKOKVRHSS-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC000730275444 578304373 /nfs/dbraw/zinc/30/43/73/578304373.db2.gz GNWMQPKOKVRHSS-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP CN(C)c1cc[nH+]cc1C=NNC(=S)NCC[NH+]1CCOCC1 ZINC000776182689 579277144 /nfs/dbraw/zinc/27/71/44/579277144.db2.gz CUKCNIAEAYYIBZ-UHFFFAOYSA-N 2 2 336.465 0.278 20 30 ECEDLP C#CCN(C(=S)NCCC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000899613902 586492638 /nfs/dbraw/zinc/49/26/38/586492638.db2.gz SOPVNYAGPTZDKF-UHFFFAOYSA-N 2 2 338.521 0.613 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000901057746 586688568 /nfs/dbraw/zinc/68/85/68/586688568.db2.gz NJOSXDKWDKZQHP-MRXNPFEDSA-N 2 2 325.453 0.444 20 30 ECEDLP CON1CC[C@@H](O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000902225674 586725991 /nfs/dbraw/zinc/72/59/91/586725991.db2.gz HMLCHCKQTRLNDT-OAHLLOKOSA-N 2 2 348.403 0.318 20 30 ECEDLP C#CC[C@H](COC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000858189850 589729852 /nfs/dbraw/zinc/72/98/52/589729852.db2.gz ULAWDZKAQHACBS-MRXNPFEDSA-N 2 2 336.480 0.883 20 30 ECEDLP C#CCC1(O)CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000883417338 590616912 /nfs/dbraw/zinc/61/69/12/590616912.db2.gz XNLQSUXASXLSSG-INIZCTEOSA-N 2 2 348.491 0.715 20 30 ECEDLP C#CCC1(O)CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000883417338 590616914 /nfs/dbraw/zinc/61/69/14/590616914.db2.gz XNLQSUXASXLSSG-INIZCTEOSA-N 2 2 348.491 0.715 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163348 590759090 /nfs/dbraw/zinc/75/90/90/590759090.db2.gz DHPSLQYKYMEPEU-DLBZAZTESA-N 3 2 347.507 0.552 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163348 590759092 /nfs/dbraw/zinc/75/90/92/590759092.db2.gz DHPSLQYKYMEPEU-DLBZAZTESA-N 3 2 347.507 0.552 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163348 590759094 /nfs/dbraw/zinc/75/90/94/590759094.db2.gz DHPSLQYKYMEPEU-DLBZAZTESA-N 3 2 347.507 0.552 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163348 590759095 /nfs/dbraw/zinc/75/90/95/590759095.db2.gz DHPSLQYKYMEPEU-DLBZAZTESA-N 3 2 347.507 0.552 20 30 ECEDLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885985495 590784715 /nfs/dbraw/zinc/78/47/15/590784715.db2.gz JFIONTBYFTVTKV-MRXNPFEDSA-N 2 2 336.480 0.917 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000884393205 590819070 /nfs/dbraw/zinc/81/90/70/590819070.db2.gz XFPVPPMTZMOKAR-CABCVRRESA-N 2 2 339.436 0.146 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ncccn3)C2)CC1 ZINC000886680386 590870404 /nfs/dbraw/zinc/87/04/04/590870404.db2.gz CQGVBIHBWXAJLD-INIZCTEOSA-N 2 2 327.432 0.433 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](c3ncccn3)C2)CC1 ZINC000886680386 590870406 /nfs/dbraw/zinc/87/04/06/590870406.db2.gz CQGVBIHBWXAJLD-INIZCTEOSA-N 2 2 327.432 0.433 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000890372232 591154373 /nfs/dbraw/zinc/15/43/73/591154373.db2.gz HNIRBHHRXIICPX-KRWDZBQOSA-N 2 2 344.463 0.345 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000890372232 591154374 /nfs/dbraw/zinc/15/43/74/591154374.db2.gz HNIRBHHRXIICPX-KRWDZBQOSA-N 2 2 344.463 0.345 20 30 ECEDLP C#CC1(O)CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000931147503 611511248 /nfs/dbraw/zinc/51/12/48/611511248.db2.gz VLDZYWLTAFNERO-INIZCTEOSA-N 2 2 342.443 0.579 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000908436257 609653673 /nfs/dbraw/zinc/65/36/73/609653673.db2.gz MKEGQLJBUOPUAB-UHFFFAOYSA-N 2 2 332.448 0.505 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000908436257 609653674 /nfs/dbraw/zinc/65/36/74/609653674.db2.gz MKEGQLJBUOPUAB-UHFFFAOYSA-N 2 2 332.448 0.505 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC000938991663 610064065 /nfs/dbraw/zinc/06/40/65/610064065.db2.gz MAIVPRZKEOZWAR-HNNXBMFYSA-N 2 2 343.431 0.015 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nonc1C ZINC001024987458 738461936 /nfs/dbraw/zinc/46/19/36/738461936.db2.gz LNFTWAUBEPIQAS-RDJZCZTQSA-N 2 2 345.447 0.946 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nonc1C ZINC001024987458 738461937 /nfs/dbraw/zinc/46/19/37/738461937.db2.gz LNFTWAUBEPIQAS-RDJZCZTQSA-N 2 2 345.447 0.946 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cn(C)nc2C)C1 ZINC000969868041 732462803 /nfs/dbraw/zinc/46/28/03/732462803.db2.gz HDXJNIAZHNXJHG-KDOFPFPSSA-N 2 2 343.475 0.763 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2cn(C)nc2C)C1 ZINC000969868041 732462809 /nfs/dbraw/zinc/46/28/09/732462809.db2.gz HDXJNIAZHNXJHG-KDOFPFPSSA-N 2 2 343.475 0.763 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001025097928 738644742 /nfs/dbraw/zinc/64/47/42/738644742.db2.gz GTHGWHXYHIYGBT-CVEARBPZSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(C)ncn2)C1 ZINC000971703947 734965592 /nfs/dbraw/zinc/96/55/92/734965592.db2.gz NGMUVSBUOYWWBK-ROUUACIJSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(C)ncn2)C1 ZINC000971703947 734965593 /nfs/dbraw/zinc/96/55/93/734965593.db2.gz NGMUVSBUOYWWBK-ROUUACIJSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cc(C)ncn2)C1 ZINC000971703947 734965594 /nfs/dbraw/zinc/96/55/94/734965594.db2.gz NGMUVSBUOYWWBK-ROUUACIJSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cc(C)ncn2)C1 ZINC000971703947 734965596 /nfs/dbraw/zinc/96/55/96/734965596.db2.gz NGMUVSBUOYWWBK-ROUUACIJSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000972410585 736144171 /nfs/dbraw/zinc/14/41/71/736144171.db2.gz SRZYBEYUFKOVMI-MJGOQNOKSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000972410585 736144173 /nfs/dbraw/zinc/14/41/73/736144173.db2.gz SRZYBEYUFKOVMI-MJGOQNOKSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000972410585 736144175 /nfs/dbraw/zinc/14/41/75/736144175.db2.gz SRZYBEYUFKOVMI-MJGOQNOKSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000972410585 736144177 /nfs/dbraw/zinc/14/41/77/736144177.db2.gz SRZYBEYUFKOVMI-MJGOQNOKSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000972428925 736178480 /nfs/dbraw/zinc/17/84/80/736178480.db2.gz RDMYTOSKOCPUTG-IBGZPJMESA-N 2 2 331.460 0.799 20 30 ECEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000972428925 736178483 /nfs/dbraw/zinc/17/84/83/736178483.db2.gz RDMYTOSKOCPUTG-IBGZPJMESA-N 2 2 331.460 0.799 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001023024983 736408852 /nfs/dbraw/zinc/40/88/52/736408852.db2.gz OYUCDHHCCJVDJE-HZSPNIEDSA-N 2 2 331.420 0.284 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)nn1 ZINC001105256795 741572398 /nfs/dbraw/zinc/57/23/98/741572398.db2.gz SQRJOHFYKCEPIZ-KRWDZBQOSA-N 2 2 344.463 0.649 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256795 741572399 /nfs/dbraw/zinc/57/23/99/741572399.db2.gz SQRJOHFYKCEPIZ-KRWDZBQOSA-N 2 2 344.463 0.649 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CCC(NC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001026613637 741611335 /nfs/dbraw/zinc/61/13/35/741611335.db2.gz XTUXDPXUVPHSNT-GPANFISMSA-N 2 2 345.447 0.687 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105326782 741802974 /nfs/dbraw/zinc/80/29/74/741802974.db2.gz GEGZIWCGUDSHLC-CQSZACIVSA-N 2 2 330.436 0.116 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)nn1 ZINC001105328641 741823216 /nfs/dbraw/zinc/82/32/16/741823216.db2.gz OKYGTFZWZWTWCS-UHFFFAOYSA-N 2 2 346.479 0.752 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)nn1 ZINC001105328641 741823220 /nfs/dbraw/zinc/82/32/20/741823220.db2.gz OKYGTFZWZWTWCS-UHFFFAOYSA-N 2 2 346.479 0.752 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3cnn(C)n3)C2)CC1 ZINC001029002881 743154863 /nfs/dbraw/zinc/15/48/63/743154863.db2.gz DCNHFTKXMBDIJY-OAHLLOKOSA-N 2 2 344.463 0.098 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3cnn(C)n3)C2)CC1 ZINC001029002881 743154868 /nfs/dbraw/zinc/15/48/68/743154868.db2.gz DCNHFTKXMBDIJY-OAHLLOKOSA-N 2 2 344.463 0.098 20 30 ECEDLP CC[N@H+](CCNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1)C(C)C ZINC000261981318 743261247 /nfs/dbraw/zinc/26/12/47/743261247.db2.gz OXNQSEDPSLBVBK-UHFFFAOYSA-N 2 2 332.514 0.801 20 30 ECEDLP CC[N@@H+](CCNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1)C(C)C ZINC000261981318 743261254 /nfs/dbraw/zinc/26/12/54/743261254.db2.gz OXNQSEDPSLBVBK-UHFFFAOYSA-N 2 2 332.514 0.801 20 30 ECEDLP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998585517 744243561 /nfs/dbraw/zinc/24/35/61/744243561.db2.gz LPSUHOXRMNAMAH-BPCQOVAHSA-N 2 2 346.269 0.805 20 30 ECEDLP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998585517 744243563 /nfs/dbraw/zinc/24/35/63/744243563.db2.gz LPSUHOXRMNAMAH-BPCQOVAHSA-N 2 2 346.269 0.805 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1=O ZINC001167979774 744976424 /nfs/dbraw/zinc/97/64/24/744976424.db2.gz XDBFYNLCKDJLLY-DZGCQCFKSA-N 2 2 333.436 0.471 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1=O ZINC001167979774 744976426 /nfs/dbraw/zinc/97/64/26/744976426.db2.gz XDBFYNLCKDJLLY-DZGCQCFKSA-N 2 2 333.436 0.471 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)C1=O ZINC000977596768 745234658 /nfs/dbraw/zinc/23/46/58/745234658.db2.gz VMKBERIBLLCYCD-JKSUJKDBSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)C1=O ZINC000977596768 745234663 /nfs/dbraw/zinc/23/46/63/745234663.db2.gz VMKBERIBLLCYCD-JKSUJKDBSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001000559483 745594743 /nfs/dbraw/zinc/59/47/43/745594743.db2.gz HTXMIEOGACDNOV-KGLIPLIRSA-N 2 2 331.420 0.320 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2CC)C1=O ZINC001087829585 746438435 /nfs/dbraw/zinc/43/84/35/746438435.db2.gz LZQXUMLIHXWVQG-BBWFWOEESA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC000984858254 747031494 /nfs/dbraw/zinc/03/14/94/747031494.db2.gz HFVIGHANKXFDKJ-YDHLFZDLSA-N 2 2 331.420 0.224 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)nn1 ZINC001105342380 747568138 /nfs/dbraw/zinc/56/81/38/747568138.db2.gz AGJSTCNXDSYEGH-DOTOQJQBSA-N 2 2 342.447 0.401 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)nn1 ZINC001105342380 747568145 /nfs/dbraw/zinc/56/81/45/747568145.db2.gz AGJSTCNXDSYEGH-DOTOQJQBSA-N 2 2 342.447 0.401 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)C1=O ZINC001003972433 749094120 /nfs/dbraw/zinc/09/41/20/749094120.db2.gz XCVFXAZDXDIRLM-INIZCTEOSA-N 2 2 345.447 0.330 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001088505759 750190899 /nfs/dbraw/zinc/19/08/99/750190899.db2.gz UFEJCAQWFPOLRF-JLSDUUJJSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088505759 750190902 /nfs/dbraw/zinc/19/09/02/750190902.db2.gz UFEJCAQWFPOLRF-JLSDUUJJSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001088505759 750190908 /nfs/dbraw/zinc/19/09/08/750190908.db2.gz UFEJCAQWFPOLRF-JLSDUUJJSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001088505759 750190912 /nfs/dbraw/zinc/19/09/12/750190912.db2.gz UFEJCAQWFPOLRF-JLSDUUJJSA-N 2 2 342.443 0.968 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnsn3)C2)CC1 ZINC001021089262 752529191 /nfs/dbraw/zinc/52/91/91/752529191.db2.gz CHFMLUUTFYMGKS-HDJSIYSDSA-N 2 2 333.461 0.620 20 30 ECEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710299 754788677 /nfs/dbraw/zinc/78/86/77/754788677.db2.gz TYJYLMDAQYMJAB-KURKYZTESA-N 2 2 349.475 0.328 20 30 ECEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710299 754788679 /nfs/dbraw/zinc/78/86/79/754788679.db2.gz TYJYLMDAQYMJAB-KURKYZTESA-N 2 2 349.475 0.328 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](O)C1 ZINC001083468376 755176178 /nfs/dbraw/zinc/17/61/78/755176178.db2.gz VAGDJUOIPVYIST-VQHPVUNQSA-N 2 2 342.443 0.339 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)[C@@H](O)C1 ZINC001083468376 755176182 /nfs/dbraw/zinc/17/61/82/755176182.db2.gz VAGDJUOIPVYIST-VQHPVUNQSA-N 2 2 342.443 0.339 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)C1=O ZINC001088750465 755481712 /nfs/dbraw/zinc/48/17/12/755481712.db2.gz OHDJMGKHBRAJHK-OWCLPIDISA-N 2 2 345.447 0.557 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)C1=O ZINC001088750465 755481714 /nfs/dbraw/zinc/48/17/14/755481714.db2.gz OHDJMGKHBRAJHK-OWCLPIDISA-N 2 2 345.447 0.557 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436669 756135033 /nfs/dbraw/zinc/13/50/33/756135033.db2.gz RFJYUWKHCHEHIZ-DLBZAZTESA-N 2 2 328.416 0.579 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436669 756135035 /nfs/dbraw/zinc/13/50/35/756135035.db2.gz RFJYUWKHCHEHIZ-DLBZAZTESA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436669 756135037 /nfs/dbraw/zinc/13/50/37/756135037.db2.gz RFJYUWKHCHEHIZ-DLBZAZTESA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436669 756135039 /nfs/dbraw/zinc/13/50/39/756135039.db2.gz RFJYUWKHCHEHIZ-DLBZAZTESA-N 2 2 328.416 0.579 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001021926946 758070042 /nfs/dbraw/zinc/07/00/42/758070042.db2.gz YIDZLVGOFJSPHB-IXDOHACOSA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001021926946 758070052 /nfs/dbraw/zinc/07/00/52/758070052.db2.gz YIDZLVGOFJSPHB-IXDOHACOSA-N 2 2 346.406 0.765 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1O ZINC001077159071 758376806 /nfs/dbraw/zinc/37/68/06/758376806.db2.gz MXOXXPORPFJLIZ-FGTMMUONSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1O ZINC001077159071 758376816 /nfs/dbraw/zinc/37/68/16/758376816.db2.gz MXOXXPORPFJLIZ-FGTMMUONSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1O ZINC001077159071 758376821 /nfs/dbraw/zinc/37/68/21/758376821.db2.gz MXOXXPORPFJLIZ-FGTMMUONSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@H]1O ZINC001077159071 758376829 /nfs/dbraw/zinc/37/68/29/758376829.db2.gz MXOXXPORPFJLIZ-FGTMMUONSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cnc(C)nc3)C2)CC1 ZINC001032207171 759628434 /nfs/dbraw/zinc/62/84/34/759628434.db2.gz GFQOPVAVLUWSKC-UHFFFAOYSA-N 2 2 341.459 0.678 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001125220167 759954197 /nfs/dbraw/zinc/95/41/97/759954197.db2.gz DFZGCOBMICWEMA-MRXNPFEDSA-N 2 2 335.835 0.728 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001125220167 759954198 /nfs/dbraw/zinc/95/41/98/759954198.db2.gz DFZGCOBMICWEMA-MRXNPFEDSA-N 2 2 335.835 0.728 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2CCCF)CC1 ZINC001051254848 761775058 /nfs/dbraw/zinc/77/50/58/761775058.db2.gz MMVYTJIXWJNUIA-INIZCTEOSA-N 2 2 325.428 0.508 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2CCCF)CC1 ZINC001051254848 761775068 /nfs/dbraw/zinc/77/50/68/761775068.db2.gz MMVYTJIXWJNUIA-INIZCTEOSA-N 2 2 325.428 0.508 20 30 ECEDLP N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)s1 ZINC001051885099 763214663 /nfs/dbraw/zinc/21/46/63/763214663.db2.gz XGOCNXXBYVOLIA-LBPRGKRZSA-N 2 2 345.428 0.903 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046994864 763532947 /nfs/dbraw/zinc/53/29/47/763532947.db2.gz HMFXIKPIYRIENT-CABCVRRESA-N 2 2 343.418 0.804 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994864 763532954 /nfs/dbraw/zinc/53/29/54/763532954.db2.gz HMFXIKPIYRIENT-CABCVRRESA-N 2 2 343.418 0.804 20 30 ECEDLP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046994864 763532960 /nfs/dbraw/zinc/53/29/60/763532960.db2.gz HMFXIKPIYRIENT-CABCVRRESA-N 2 2 343.418 0.804 20 30 ECEDLP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046994864 763532965 /nfs/dbraw/zinc/53/29/65/763532965.db2.gz HMFXIKPIYRIENT-CABCVRRESA-N 2 2 343.418 0.804 20 30 ECEDLP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046995882 763535620 /nfs/dbraw/zinc/53/56/20/763535620.db2.gz MDAYJCZYQPPJME-ZIAGYGMSSA-N 2 2 331.407 0.967 20 30 ECEDLP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046995882 763535625 /nfs/dbraw/zinc/53/56/25/763535625.db2.gz MDAYJCZYQPPJME-ZIAGYGMSSA-N 2 2 331.407 0.967 20 30 ECEDLP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046995882 763535630 /nfs/dbraw/zinc/53/56/30/763535630.db2.gz MDAYJCZYQPPJME-ZIAGYGMSSA-N 2 2 331.407 0.967 20 30 ECEDLP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046995882 763535633 /nfs/dbraw/zinc/53/56/33/763535633.db2.gz MDAYJCZYQPPJME-ZIAGYGMSSA-N 2 2 331.407 0.967 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052031459 763632198 /nfs/dbraw/zinc/63/21/98/763632198.db2.gz OMLHMAOECAQLEM-KZNAEPCWSA-N 2 2 332.492 0.568 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052031459 763632205 /nfs/dbraw/zinc/63/22/05/763632205.db2.gz OMLHMAOECAQLEM-KZNAEPCWSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001052048428 763696959 /nfs/dbraw/zinc/69/69/59/763696959.db2.gz UBAXYDWMECLUOX-OALUTQOASA-N 2 2 346.519 0.959 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001052048428 763696960 /nfs/dbraw/zinc/69/69/60/763696960.db2.gz UBAXYDWMECLUOX-OALUTQOASA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001052048428 763696961 /nfs/dbraw/zinc/69/69/61/763696961.db2.gz UBAXYDWMECLUOX-OALUTQOASA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001052048428 763696963 /nfs/dbraw/zinc/69/69/63/763696963.db2.gz UBAXYDWMECLUOX-OALUTQOASA-N 2 2 346.519 0.959 20 30 ECEDLP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001052052435 763715671 /nfs/dbraw/zinc/71/56/71/763715671.db2.gz MHEXTFLDTXLOBW-KRWDZBQOSA-N 2 2 329.448 0.433 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001015090207 763860949 /nfs/dbraw/zinc/86/09/49/763860949.db2.gz PUOJOIQIRJTLCH-HOTGVXAUSA-N 2 2 346.475 0.592 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001015090207 763860958 /nfs/dbraw/zinc/86/09/58/763860958.db2.gz PUOJOIQIRJTLCH-HOTGVXAUSA-N 2 2 346.475 0.592 20 30 ECEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047324173 764000846 /nfs/dbraw/zinc/00/08/46/764000846.db2.gz KQLCNIVHBXMCRC-SQNIBIBYSA-N 2 2 342.443 0.656 20 30 ECEDLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047324173 764000852 /nfs/dbraw/zinc/00/08/52/764000852.db2.gz KQLCNIVHBXMCRC-SQNIBIBYSA-N 2 2 342.443 0.656 20 30 ECEDLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047324173 764000860 /nfs/dbraw/zinc/00/08/60/764000860.db2.gz KQLCNIVHBXMCRC-SQNIBIBYSA-N 2 2 342.443 0.656 20 30 ECEDLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047324173 764000869 /nfs/dbraw/zinc/00/08/69/764000869.db2.gz KQLCNIVHBXMCRC-SQNIBIBYSA-N 2 2 342.443 0.656 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106062809 764241647 /nfs/dbraw/zinc/24/16/47/764241647.db2.gz YIUHOWBPIHMNPB-ZIAGYGMSSA-N 2 2 333.436 0.329 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001047407046 764247580 /nfs/dbraw/zinc/24/75/80/764247580.db2.gz BTMYLJZKKKETKY-SQNIBIBYSA-N 2 2 349.475 0.157 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001047407046 764247583 /nfs/dbraw/zinc/24/75/83/764247583.db2.gz BTMYLJZKKKETKY-SQNIBIBYSA-N 2 2 349.475 0.157 20 30 ECEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001047407046 764247586 /nfs/dbraw/zinc/24/75/86/764247586.db2.gz BTMYLJZKKKETKY-SQNIBIBYSA-N 2 2 349.475 0.157 20 30 ECEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001047407046 764247588 /nfs/dbraw/zinc/24/75/88/764247588.db2.gz BTMYLJZKKKETKY-SQNIBIBYSA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC2CCCC2)C[C@@H]1O ZINC001047415305 764273978 /nfs/dbraw/zinc/27/39/78/764273978.db2.gz RYEOKUDPXLKROP-BZSNNMDCSA-N 2 2 333.476 0.778 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O ZINC001047415305 764273980 /nfs/dbraw/zinc/27/39/80/764273980.db2.gz RYEOKUDPXLKROP-BZSNNMDCSA-N 2 2 333.476 0.778 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC2CCCC2)C[C@@H]1O ZINC001047415305 764273985 /nfs/dbraw/zinc/27/39/85/764273985.db2.gz RYEOKUDPXLKROP-BZSNNMDCSA-N 2 2 333.476 0.778 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC2CCCC2)C[C@@H]1O ZINC001047415305 764273990 /nfs/dbraw/zinc/27/39/90/764273990.db2.gz RYEOKUDPXLKROP-BZSNNMDCSA-N 2 2 333.476 0.778 20 30 ECEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001047435956 764338558 /nfs/dbraw/zinc/33/85/58/764338558.db2.gz PKXVNQSEBFGSEQ-JQFCIGGWSA-N 2 2 330.432 0.350 20 30 ECEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001047435956 764338564 /nfs/dbraw/zinc/33/85/64/764338564.db2.gz PKXVNQSEBFGSEQ-JQFCIGGWSA-N 2 2 330.432 0.350 20 30 ECEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001047435956 764338572 /nfs/dbraw/zinc/33/85/72/764338572.db2.gz PKXVNQSEBFGSEQ-JQFCIGGWSA-N 2 2 330.432 0.350 20 30 ECEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001047435956 764338577 /nfs/dbraw/zinc/33/85/77/764338577.db2.gz PKXVNQSEBFGSEQ-JQFCIGGWSA-N 2 2 330.432 0.350 20 30 ECEDLP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001047499157 764518209 /nfs/dbraw/zinc/51/82/09/764518209.db2.gz ABKFMZZLPPJWMO-JYJNAYRXSA-N 2 2 325.453 0.175 20 30 ECEDLP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001047499157 764518213 /nfs/dbraw/zinc/51/82/13/764518213.db2.gz ABKFMZZLPPJWMO-JYJNAYRXSA-N 2 2 325.453 0.175 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499157 764518223 /nfs/dbraw/zinc/51/82/23/764518223.db2.gz ABKFMZZLPPJWMO-JYJNAYRXSA-N 2 2 325.453 0.175 20 30 ECEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047499157 764518232 /nfs/dbraw/zinc/51/82/32/764518232.db2.gz ABKFMZZLPPJWMO-JYJNAYRXSA-N 2 2 325.453 0.175 20 30 ECEDLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047627334 764923630 /nfs/dbraw/zinc/92/36/30/764923630.db2.gz OOFJDVQMNIPGGA-BZSNNMDCSA-N 2 2 342.443 0.513 20 30 ECEDLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047627334 764923634 /nfs/dbraw/zinc/92/36/34/764923634.db2.gz OOFJDVQMNIPGGA-BZSNNMDCSA-N 2 2 342.443 0.513 20 30 ECEDLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047627334 764923642 /nfs/dbraw/zinc/92/36/42/764923642.db2.gz OOFJDVQMNIPGGA-BZSNNMDCSA-N 2 2 342.443 0.513 20 30 ECEDLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047627334 764923646 /nfs/dbraw/zinc/92/36/46/764923646.db2.gz OOFJDVQMNIPGGA-BZSNNMDCSA-N 2 2 342.443 0.513 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[N@@H+](C)CCC)C2)nn1 ZINC001098775506 765032708 /nfs/dbraw/zinc/03/27/08/765032708.db2.gz ZQXNGGUAHGQKBJ-INIZCTEOSA-N 2 2 332.452 0.506 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001098775506 765032710 /nfs/dbraw/zinc/03/27/10/765032710.db2.gz ZQXNGGUAHGQKBJ-INIZCTEOSA-N 2 2 332.452 0.506 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001015901119 765515819 /nfs/dbraw/zinc/51/58/19/765515819.db2.gz ZAVYZJSMGNWZLA-SJORKVTESA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001015901119 765515827 /nfs/dbraw/zinc/51/58/27/765515827.db2.gz ZAVYZJSMGNWZLA-SJORKVTESA-N 2 2 348.491 0.696 20 30 ECEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C[C@H]1C ZINC001106461150 768332989 /nfs/dbraw/zinc/33/29/89/768332989.db2.gz NCHXDWAAMBURNU-TVFCKZIOSA-N 2 2 349.475 0.184 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1)O2 ZINC001053649742 766511963 /nfs/dbraw/zinc/51/19/63/766511963.db2.gz VLEPWEWDOILNHD-HZPDHXFCSA-N 2 2 337.464 0.631 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649742 766511969 /nfs/dbraw/zinc/51/19/69/766511969.db2.gz VLEPWEWDOILNHD-HZPDHXFCSA-N 2 2 337.464 0.631 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039018 766741331 /nfs/dbraw/zinc/74/13/31/766741331.db2.gz MKQMAXSSNMNYNP-DLBZAZTESA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039018 766741337 /nfs/dbraw/zinc/74/13/37/766741337.db2.gz MKQMAXSSNMNYNP-DLBZAZTESA-N 2 2 343.475 0.850 20 30 ECEDLP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053904399 767312534 /nfs/dbraw/zinc/31/25/34/767312534.db2.gz NBDCWHPXBRKTBU-HZPDHXFCSA-N 2 2 337.464 0.631 20 30 ECEDLP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053904399 767312536 /nfs/dbraw/zinc/31/25/36/767312536.db2.gz NBDCWHPXBRKTBU-HZPDHXFCSA-N 2 2 337.464 0.631 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC(=O)NC)C2)C1 ZINC001054147098 767742700 /nfs/dbraw/zinc/74/27/00/767742700.db2.gz JURDRBQKKXLSDV-LPHOPBHVSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC(=O)NC)C2)C1 ZINC001054147098 767742706 /nfs/dbraw/zinc/74/27/06/767742706.db2.gz JURDRBQKKXLSDV-LPHOPBHVSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC(=O)NC)C2)C1 ZINC001054147098 767742711 /nfs/dbraw/zinc/74/27/11/767742711.db2.gz JURDRBQKKXLSDV-LPHOPBHVSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC(=O)NC)C2)C1 ZINC001054147098 767742716 /nfs/dbraw/zinc/74/27/16/767742716.db2.gz JURDRBQKKXLSDV-LPHOPBHVSA-N 2 2 346.475 0.145 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106750213 768856207 /nfs/dbraw/zinc/85/62/07/768856207.db2.gz STLKLFWQHNEGAI-RRFJBIMHSA-N 2 2 347.463 0.575 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106750213 768856212 /nfs/dbraw/zinc/85/62/12/768856212.db2.gz STLKLFWQHNEGAI-RRFJBIMHSA-N 2 2 347.463 0.575 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106804533 769059708 /nfs/dbraw/zinc/05/97/08/769059708.db2.gz YMZLFPOESCBUAB-HZSPNIEDSA-N 2 2 333.436 0.327 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001018362274 769197848 /nfs/dbraw/zinc/19/78/48/769197848.db2.gz DZLKOISWYYGDFI-SJORKVTESA-N 2 2 348.491 0.649 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001018362274 769197854 /nfs/dbraw/zinc/19/78/54/769197854.db2.gz DZLKOISWYYGDFI-SJORKVTESA-N 2 2 348.491 0.649 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cncc(OC)n2)C1 ZINC001018985909 770483209 /nfs/dbraw/zinc/48/32/09/770483209.db2.gz LTZDPOFKDWYTOK-HOCLYGCPSA-N 2 2 343.431 0.273 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cncc(OC)n2)C1 ZINC001018985909 770483215 /nfs/dbraw/zinc/48/32/15/770483215.db2.gz LTZDPOFKDWYTOK-HOCLYGCPSA-N 2 2 343.431 0.273 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)CC(C)(C)C1 ZINC001089408782 771089366 /nfs/dbraw/zinc/08/93/66/771089366.db2.gz HLUPIHMHFQDACO-GJZGRUSLSA-N 2 2 334.464 0.176 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)CC(C)(C)C1 ZINC001089408782 771089372 /nfs/dbraw/zinc/08/93/72/771089372.db2.gz HLUPIHMHFQDACO-GJZGRUSLSA-N 2 2 334.464 0.176 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)CC(C)(C)C1 ZINC001089408782 771089376 /nfs/dbraw/zinc/08/93/76/771089376.db2.gz HLUPIHMHFQDACO-GJZGRUSLSA-N 2 2 334.464 0.176 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(N)=O)CC(C)(C)C1 ZINC001089408782 771089379 /nfs/dbraw/zinc/08/93/79/771089379.db2.gz HLUPIHMHFQDACO-GJZGRUSLSA-N 2 2 334.464 0.176 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(CCC)no2)C1 ZINC001020250436 772349801 /nfs/dbraw/zinc/34/98/01/772349801.db2.gz FURKTUQWBSIWFE-KKUMJFAQSA-N 2 2 345.447 0.857 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(CCC)no2)C1 ZINC001020250436 772349806 /nfs/dbraw/zinc/34/98/06/772349806.db2.gz FURKTUQWBSIWFE-KKUMJFAQSA-N 2 2 345.447 0.857 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001020250500 772351090 /nfs/dbraw/zinc/35/10/90/772351090.db2.gz GGAZLAMZCSBOAH-TUVASFSCSA-N 2 2 330.436 0.211 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001020250500 772351091 /nfs/dbraw/zinc/35/10/91/772351091.db2.gz GGAZLAMZCSBOAH-TUVASFSCSA-N 2 2 330.436 0.211 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001020250752 772351785 /nfs/dbraw/zinc/35/17/85/772351785.db2.gz OWWDSKBSEZIIQF-KKUMJFAQSA-N 2 2 343.431 0.781 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001020250752 772351792 /nfs/dbraw/zinc/35/17/92/772351792.db2.gz OWWDSKBSEZIIQF-KKUMJFAQSA-N 2 2 343.431 0.781 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001044971830 774785598 /nfs/dbraw/zinc/78/55/98/774785598.db2.gz ATEYAEBSUSAJRC-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001044971830 774785603 /nfs/dbraw/zinc/78/56/03/774785603.db2.gz ATEYAEBSUSAJRC-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2C#N)C1 ZINC001044972596 774787062 /nfs/dbraw/zinc/78/70/62/774787062.db2.gz WPBHQBDAZOPGOP-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2C#N)C1 ZINC001044972596 774787063 /nfs/dbraw/zinc/78/70/63/774787063.db2.gz WPBHQBDAZOPGOP-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001045253916 775240860 /nfs/dbraw/zinc/24/08/60/775240860.db2.gz WROSNBJTSDGMII-UONOGXRCSA-N 2 2 331.420 0.320 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024140 790363730 /nfs/dbraw/zinc/36/37/30/790363730.db2.gz BNMWNUQQUUODEM-CVEARBPZSA-N 2 2 346.479 0.928 20 30 ECEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024140 790363747 /nfs/dbraw/zinc/36/37/47/790363747.db2.gz BNMWNUQQUUODEM-CVEARBPZSA-N 2 2 346.479 0.928 20 30 ECEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024140 790363755 /nfs/dbraw/zinc/36/37/55/790363755.db2.gz BNMWNUQQUUODEM-CVEARBPZSA-N 2 2 346.479 0.928 20 30 ECEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024140 790363766 /nfs/dbraw/zinc/36/37/66/790363766.db2.gz BNMWNUQQUUODEM-CVEARBPZSA-N 2 2 346.479 0.928 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001077903261 781907702 /nfs/dbraw/zinc/90/77/02/781907702.db2.gz UWXWQGSUYSHYGH-HZPDHXFCSA-N 2 2 325.372 0.066 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001077903261 781907711 /nfs/dbraw/zinc/90/77/11/781907711.db2.gz UWXWQGSUYSHYGH-HZPDHXFCSA-N 2 2 325.372 0.066 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070555837 784268129 /nfs/dbraw/zinc/26/81/29/784268129.db2.gz WMOSZYYDBFEYEC-DZGCQCFKSA-N 2 2 340.431 0.638 20 30 ECEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001070973641 784283709 /nfs/dbraw/zinc/28/37/09/784283709.db2.gz SWALFYBNTLFRST-UHFFFAOYSA-N 2 2 348.491 0.699 20 30 ECEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001070973641 784283719 /nfs/dbraw/zinc/28/37/19/784283719.db2.gz SWALFYBNTLFRST-UHFFFAOYSA-N 2 2 348.491 0.699 20 30 ECEDLP C#CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C[NH+]2CCCC2)n1 ZINC001070606167 784428096 /nfs/dbraw/zinc/42/80/96/784428096.db2.gz PQTUPOQFEIKDON-JKSUJKDBSA-N 2 2 345.447 0.640 20 30 ECEDLP C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)C[NH+]2CCCC2)n1 ZINC001070606167 784428101 /nfs/dbraw/zinc/42/81/01/784428101.db2.gz PQTUPOQFEIKDON-JKSUJKDBSA-N 2 2 345.447 0.640 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001070632414 784465880 /nfs/dbraw/zinc/46/58/80/784465880.db2.gz XHJMFGCWDOWOSU-BFYDXBDKSA-N 2 2 347.463 0.211 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001070632414 784465885 /nfs/dbraw/zinc/46/58/85/784465885.db2.gz XHJMFGCWDOWOSU-BFYDXBDKSA-N 2 2 347.463 0.211 20 30 ECEDLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)CC[N@@H+]1C ZINC001070649010 784495375 /nfs/dbraw/zinc/49/53/75/784495375.db2.gz JELFKTWFUGPXQZ-ZJIFWQFVSA-N 2 2 344.463 0.558 20 30 ECEDLP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)CC[N@H+]1C ZINC001070649010 784495382 /nfs/dbraw/zinc/49/53/82/784495382.db2.gz JELFKTWFUGPXQZ-ZJIFWQFVSA-N 2 2 344.463 0.558 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1NCC#N ZINC001070655278 784506512 /nfs/dbraw/zinc/50/65/12/784506512.db2.gz DGLGMKGYUOSFJG-FMKPAKJESA-N 2 2 330.436 0.168 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1NCC#N ZINC001070657892 784510934 /nfs/dbraw/zinc/51/09/34/784510934.db2.gz QVJGKNKLLPQBQI-ARFHVFGLSA-N 2 2 344.463 0.702 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1NCC#N ZINC001070657892 784510941 /nfs/dbraw/zinc/51/09/41/784510941.db2.gz QVJGKNKLLPQBQI-ARFHVFGLSA-N 2 2 344.463 0.702 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071192772 784706503 /nfs/dbraw/zinc/70/65/03/784706503.db2.gz RKPMAHQESUYAQO-SJLPKXTDSA-N 2 2 330.432 0.907 20 30 ECEDLP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071192772 784706509 /nfs/dbraw/zinc/70/65/09/784706509.db2.gz RKPMAHQESUYAQO-SJLPKXTDSA-N 2 2 330.432 0.907 20 30 ECEDLP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071218341 784762889 /nfs/dbraw/zinc/76/28/89/784762889.db2.gz MGPWKUIFNPUWOL-HKUYNNGSSA-N 2 2 349.475 0.424 20 30 ECEDLP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071218341 784762893 /nfs/dbraw/zinc/76/28/93/784762893.db2.gz MGPWKUIFNPUWOL-HKUYNNGSSA-N 2 2 349.475 0.424 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741269 787097694 /nfs/dbraw/zinc/09/76/94/787097694.db2.gz QVZQSUXFDYWMBR-IAGOWNOFSA-N 2 2 337.464 0.326 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741269 787097701 /nfs/dbraw/zinc/09/77/01/787097701.db2.gz QVZQSUXFDYWMBR-IAGOWNOFSA-N 2 2 337.464 0.326 20 30 ECEDLP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073741269 787097709 /nfs/dbraw/zinc/09/77/09/787097709.db2.gz QVZQSUXFDYWMBR-IAGOWNOFSA-N 2 2 337.464 0.326 20 30 ECEDLP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073741269 787097717 /nfs/dbraw/zinc/09/77/17/787097717.db2.gz QVZQSUXFDYWMBR-IAGOWNOFSA-N 2 2 337.464 0.326 20 30 ECEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764626 787157467 /nfs/dbraw/zinc/15/74/67/787157467.db2.gz IXQCICWISFQTCX-DOTOQJQBSA-N 2 2 330.432 0.594 20 30 ECEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764626 787157471 /nfs/dbraw/zinc/15/74/71/787157471.db2.gz IXQCICWISFQTCX-DOTOQJQBSA-N 2 2 330.432 0.594 20 30 ECEDLP C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001075397035 789324000 /nfs/dbraw/zinc/32/40/00/789324000.db2.gz GTUAWRLJONERLD-DLBZAZTESA-N 2 2 330.432 0.892 20 30 ECEDLP C=CCC[N@@H+]1CCn2ncc(CNC(=O)C34CC[NH+](CC3)C4)c2C1 ZINC001069881115 790145681 /nfs/dbraw/zinc/14/56/81/790145681.db2.gz NCUBWGVYYJHWEW-UHFFFAOYSA-N 2 2 329.448 0.987 20 30 ECEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)C34CC[NH+](CC3)C4)c2C1 ZINC001069881115 790145684 /nfs/dbraw/zinc/14/56/84/790145684.db2.gz NCUBWGVYYJHWEW-UHFFFAOYSA-N 2 2 329.448 0.987 20 30 ECEDLP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001266246347 835551586 /nfs/dbraw/zinc/55/15/86/835551586.db2.gz NYFOZJGOQCBDJS-INIZCTEOSA-N 2 2 349.479 0.327 20 30 ECEDLP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001266246347 835551591 /nfs/dbraw/zinc/55/15/91/835551591.db2.gz NYFOZJGOQCBDJS-INIZCTEOSA-N 2 2 349.479 0.327 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C1CC1)[C@H]1CCN(CC)C1=O ZINC001266597274 836029602 /nfs/dbraw/zinc/02/96/02/836029602.db2.gz XZAQWHBFVWULJB-IRXDYDNUSA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C1CC1)[C@H]1CCN(CC)C1=O ZINC001266597274 836029612 /nfs/dbraw/zinc/02/96/12/836029612.db2.gz XZAQWHBFVWULJB-IRXDYDNUSA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C1CC1)[C@H]1CCN(CC)C1=O ZINC001266597274 836029626 /nfs/dbraw/zinc/02/96/26/836029626.db2.gz XZAQWHBFVWULJB-IRXDYDNUSA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C1CC1)[C@H]1CCN(CC)C1=O ZINC001266597274 836029644 /nfs/dbraw/zinc/02/96/44/836029644.db2.gz XZAQWHBFVWULJB-IRXDYDNUSA-N 2 2 346.475 0.285 20 30 ECEDLP C[NH+]1CCC(CC(=O)NC[C@@H]2CCCC[N@@H+]2CC(=O)NCC#N)CC1 ZINC001266856678 836392707 /nfs/dbraw/zinc/39/27/07/836392707.db2.gz WIYMBHKVMSXPDK-INIZCTEOSA-N 2 2 349.479 0.329 20 30 ECEDLP C[NH+]1CCC(CC(=O)NC[C@@H]2CCCC[N@H+]2CC(=O)NCC#N)CC1 ZINC001266856678 836392720 /nfs/dbraw/zinc/39/27/20/836392720.db2.gz WIYMBHKVMSXPDK-INIZCTEOSA-N 2 2 349.479 0.329 20 30 ECEDLP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001266956679 836525208 /nfs/dbraw/zinc/52/52/08/836525208.db2.gz TXUGZTZMSQYRSB-OAGGEKHMSA-N 2 2 325.453 0.537 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]([C@@H](C)C(=O)NC1CC1)C1CC1 ZINC001267327689 837207131 /nfs/dbraw/zinc/20/71/31/837207131.db2.gz WUHMJQWBTSZGQD-YOEHRIQHSA-N 2 2 346.475 0.332 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]([C@@H](C)C(=O)NC1CC1)C1CC1 ZINC001267327689 837207138 /nfs/dbraw/zinc/20/71/38/837207138.db2.gz WUHMJQWBTSZGQD-YOEHRIQHSA-N 2 2 346.475 0.332 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@@H](C)C(=O)NC1CC1)C1CC1 ZINC001267327689 837207145 /nfs/dbraw/zinc/20/71/45/837207145.db2.gz WUHMJQWBTSZGQD-YOEHRIQHSA-N 2 2 346.475 0.332 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@@H](C)C(=O)NC1CC1)C1CC1 ZINC001267327689 837207150 /nfs/dbraw/zinc/20/71/50/837207150.db2.gz WUHMJQWBTSZGQD-YOEHRIQHSA-N 2 2 346.475 0.332 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267681040 838241672 /nfs/dbraw/zinc/24/16/72/838241672.db2.gz GUNUJQQYSDJYIJ-HNNXBMFYSA-N 2 2 348.491 0.437 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970489 790259829 /nfs/dbraw/zinc/25/98/29/790259829.db2.gz IJWOEBOQVZPHKM-SJORKVTESA-N 2 2 349.398 0.604 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970489 790259825 /nfs/dbraw/zinc/25/98/25/790259825.db2.gz IJWOEBOQVZPHKM-SJORKVTESA-N 2 2 349.398 0.604 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)CC1 ZINC000491045718 275382926 /nfs/dbraw/zinc/38/29/26/275382926.db2.gz MLFINXWIDBMQNF-ZIAGYGMSSA-N 2 2 329.391 0.904 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(c2ncccn2)CC1 ZINC000262777294 275405706 /nfs/dbraw/zinc/40/57/06/275405706.db2.gz JTKPAGJQQSUDCE-UHFFFAOYSA-N 2 2 349.508 0.223 20 30 ECEDLP C[NH+]1CCC(CNC(=O)N2CCO[C@H](C#N)C2)([NH+]2CCCCC2)CC1 ZINC000080493440 436319942 /nfs/dbraw/zinc/31/99/42/436319942.db2.gz ALOCXNHERAYQOI-MRXNPFEDSA-N 2 2 349.479 0.871 20 30 ECEDLP C[NH+]1CCC(CNC(=O)N2CCO[C@@H](C#N)C2)([NH+]2CCCCC2)CC1 ZINC000080493443 436320666 /nfs/dbraw/zinc/32/06/66/436320666.db2.gz ALOCXNHERAYQOI-INIZCTEOSA-N 2 2 349.479 0.871 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000091581206 436454733 /nfs/dbraw/zinc/45/47/33/436454733.db2.gz NFXZXVIIOTXIRC-QZTJIDSGSA-N 2 2 349.523 0.952 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CC1 ZINC000091581206 436454736 /nfs/dbraw/zinc/45/47/36/436454736.db2.gz NFXZXVIIOTXIRC-QZTJIDSGSA-N 2 2 349.523 0.952 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000091581206 436454742 /nfs/dbraw/zinc/45/47/42/436454742.db2.gz NFXZXVIIOTXIRC-QZTJIDSGSA-N 2 2 349.523 0.952 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000091581206 436454744 /nfs/dbraw/zinc/45/47/44/436454744.db2.gz NFXZXVIIOTXIRC-QZTJIDSGSA-N 2 2 349.523 0.952 20 30 ECEDLP C[NH+]=C(NCCCc1[nH]c2ccccc2[nH+]1)NCCN1CCOCC1 ZINC000104171621 436558049 /nfs/dbraw/zinc/55/80/49/436558049.db2.gz ADBSKCXERCDWLE-UHFFFAOYSA-N 2 2 344.463 0.993 20 30 ECEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C(C)C ZINC000272397953 436714997 /nfs/dbraw/zinc/71/49/97/436714997.db2.gz ZBEQEHDVWZOWCY-LSDHHAIUSA-N 2 2 345.509 0.563 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000129436387 436827015 /nfs/dbraw/zinc/82/70/15/436827015.db2.gz LJLBIFWNZZFJAK-IRXDYDNUSA-N 2 2 329.448 0.543 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000129436387 436827016 /nfs/dbraw/zinc/82/70/16/436827016.db2.gz LJLBIFWNZZFJAK-IRXDYDNUSA-N 2 2 329.448 0.543 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261939868 436897482 /nfs/dbraw/zinc/89/74/82/436897482.db2.gz DHGSVULMPCDXPJ-GJZGRUSLSA-N 2 2 333.436 0.441 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261939868 436897484 /nfs/dbraw/zinc/89/74/84/436897484.db2.gz DHGSVULMPCDXPJ-GJZGRUSLSA-N 2 2 333.436 0.441 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)NC[C@](C)(O)c1ccsc1 ZINC000262452021 436934551 /nfs/dbraw/zinc/93/45/51/436934551.db2.gz UUDAUDUOQMMBNN-ZFWWWQNUSA-N 2 2 326.466 0.451 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)NC[C@](C)(O)c1ccsc1 ZINC000262452021 436934556 /nfs/dbraw/zinc/93/45/56/436934556.db2.gz UUDAUDUOQMMBNN-ZFWWWQNUSA-N 2 2 326.466 0.451 20 30 ECEDLP [NH2+]=C(NC[C@H](O)C[NH+]1CCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000304513086 437160760 /nfs/dbraw/zinc/16/07/60/437160760.db2.gz XSORTIIEANFJHK-DZGCQCFKSA-N 2 2 334.420 0.108 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000305071161 437160957 /nfs/dbraw/zinc/16/09/57/437160957.db2.gz TVBQGVFZDMMEQC-SJORKVTESA-N 2 2 345.443 0.945 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000305071161 437160961 /nfs/dbraw/zinc/16/09/61/437160961.db2.gz TVBQGVFZDMMEQC-SJORKVTESA-N 2 2 345.443 0.945 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000181089550 437309535 /nfs/dbraw/zinc/30/95/35/437309535.db2.gz ZZTASHXSVZNHHJ-KRWDZBQOSA-N 2 2 346.479 0.897 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000181089550 437309539 /nfs/dbraw/zinc/30/95/39/437309539.db2.gz ZZTASHXSVZNHHJ-KRWDZBQOSA-N 2 2 346.479 0.897 20 30 ECEDLP C[C@H](CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000329228121 437337789 /nfs/dbraw/zinc/33/77/89/437337789.db2.gz AHWLFPHHXGRUBN-HZPDHXFCSA-N 2 2 325.501 0.856 20 30 ECEDLP C[C@H](CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[NH+]1CCC(C)CC1 ZINC000329228121 437337792 /nfs/dbraw/zinc/33/77/92/437337792.db2.gz AHWLFPHHXGRUBN-HZPDHXFCSA-N 2 2 325.501 0.856 20 30 ECEDLP CC(C)[C@H](CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000329955029 437436483 /nfs/dbraw/zinc/43/64/83/437436483.db2.gz ORQKSIFQERSMIX-JYJNAYRXSA-N 2 2 340.468 0.272 20 30 ECEDLP CC(C)[C@H](CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)[NH+]1CCOCC1 ZINC000329955029 437436484 /nfs/dbraw/zinc/43/64/84/437436484.db2.gz ORQKSIFQERSMIX-JYJNAYRXSA-N 2 2 340.468 0.272 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000329994193 437442987 /nfs/dbraw/zinc/44/29/87/437442987.db2.gz MADQHHQRXFRTIX-MCMMXHMISA-N 2 2 330.498 0.379 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000329994193 437442990 /nfs/dbraw/zinc/44/29/90/437442990.db2.gz MADQHHQRXFRTIX-MCMMXHMISA-N 2 2 330.498 0.379 20 30 ECEDLP CC[NH+]1CCC(NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000331242893 437726386 /nfs/dbraw/zinc/72/63/86/437726386.db2.gz NVCGSZMAPSAMFL-CQSZACIVSA-N 2 2 341.456 0.553 20 30 ECEDLP CC[NH+]1CCC(NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000331242893 437726389 /nfs/dbraw/zinc/72/63/89/437726389.db2.gz NVCGSZMAPSAMFL-CQSZACIVSA-N 2 2 341.456 0.553 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@]2([NH+]3CCOCC3)CCCOC2)CC1 ZINC000363538461 437796693 /nfs/dbraw/zinc/79/66/93/437796693.db2.gz UCWJFKSBSLCLRA-LJQANCHMSA-N 2 2 349.475 0.329 20 30 ECEDLP CN1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H]1C#N ZINC000364223472 437812325 /nfs/dbraw/zinc/81/23/25/437812325.db2.gz SKEISRNFTZFEFA-KRWDZBQOSA-N 2 2 348.495 0.394 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378429932 438386556 /nfs/dbraw/zinc/38/65/56/438386556.db2.gz MBXDRNWYDHSOAU-QGZVFWFLSA-N 2 2 335.496 0.849 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378429932 438386560 /nfs/dbraw/zinc/38/65/60/438386560.db2.gz MBXDRNWYDHSOAU-QGZVFWFLSA-N 2 2 335.496 0.849 20 30 ECEDLP CCN(CCC#N)C(=O)CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378429932 438386564 /nfs/dbraw/zinc/38/65/64/438386564.db2.gz MBXDRNWYDHSOAU-QGZVFWFLSA-N 2 2 335.496 0.849 20 30 ECEDLP CCN(CCC#N)C(=O)CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378429932 438386569 /nfs/dbraw/zinc/38/65/69/438386569.db2.gz MBXDRNWYDHSOAU-QGZVFWFLSA-N 2 2 335.496 0.849 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000352227202 438400190 /nfs/dbraw/zinc/40/01/90/438400190.db2.gz LXLYEDOYNFZUBF-CQSZACIVSA-N 2 2 345.451 0.425 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026199 438695228 /nfs/dbraw/zinc/69/52/28/438695228.db2.gz LCRQUJYFOIKYRN-CYBMUJFWSA-N 2 2 347.419 0.613 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026199 438695230 /nfs/dbraw/zinc/69/52/30/438695230.db2.gz LCRQUJYFOIKYRN-CYBMUJFWSA-N 2 2 347.419 0.613 20 30 ECEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000576822337 438800567 /nfs/dbraw/zinc/80/05/67/438800567.db2.gz BXHFMVDTGQHIFU-QZTJIDSGSA-N 2 2 347.459 0.929 20 30 ECEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000576822337 438800570 /nfs/dbraw/zinc/80/05/70/438800570.db2.gz BXHFMVDTGQHIFU-QZTJIDSGSA-N 2 2 347.459 0.929 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000490779867 439298763 /nfs/dbraw/zinc/29/87/63/439298763.db2.gz BKJPPZRPRYARKB-UHFFFAOYSA-N 2 2 346.519 0.962 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000582725927 439372247 /nfs/dbraw/zinc/37/22/47/439372247.db2.gz GWVDIFZLHFEIFH-IAGOWNOFSA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000582725927 439372248 /nfs/dbraw/zinc/37/22/48/439372248.db2.gz GWVDIFZLHFEIFH-IAGOWNOFSA-N 2 2 333.432 0.734 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)CC1 ZINC000491384876 439374220 /nfs/dbraw/zinc/37/42/20/439374220.db2.gz PXWYCIIIGWMXEW-KRWDZBQOSA-N 2 2 346.475 0.000 20 30 ECEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000570038266 439386075 /nfs/dbraw/zinc/38/60/75/439386075.db2.gz ZWQZEWSGMAWZPX-QZTJIDSGSA-N 2 2 333.476 0.990 20 30 ECEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000570038266 439386081 /nfs/dbraw/zinc/38/60/81/439386081.db2.gz ZWQZEWSGMAWZPX-QZTJIDSGSA-N 2 2 333.476 0.990 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CC(=O)NCC)CC1 ZINC000491630917 439414561 /nfs/dbraw/zinc/41/45/61/439414561.db2.gz OPTVDYDSQWVNSO-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CC(=O)NCC)CC1 ZINC000491630917 439414562 /nfs/dbraw/zinc/41/45/62/439414562.db2.gz OPTVDYDSQWVNSO-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3cc(C)ccn3)C2)CC1 ZINC000491645689 439418920 /nfs/dbraw/zinc/41/89/20/439418920.db2.gz PYQVZCJYTNGLMG-QGZVFWFLSA-N 2 2 326.444 0.957 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3cc(C)ccn3)C2)CC1 ZINC000491645689 439418925 /nfs/dbraw/zinc/41/89/25/439418925.db2.gz PYQVZCJYTNGLMG-QGZVFWFLSA-N 2 2 326.444 0.957 20 30 ECEDLP C#CCNC(=O)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000491698378 439430554 /nfs/dbraw/zinc/43/05/54/439430554.db2.gz CHXLUWTZAYILCW-MSOLQXFVSA-N 2 2 329.444 0.599 20 30 ECEDLP C#CCNC(=O)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000491698378 439430558 /nfs/dbraw/zinc/43/05/58/439430558.db2.gz CHXLUWTZAYILCW-MSOLQXFVSA-N 2 2 329.444 0.599 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000491734159 439437560 /nfs/dbraw/zinc/43/75/60/439437560.db2.gz NOMZPJGVDDDVFU-HNNXBMFYSA-N 2 2 331.420 0.118 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000491734159 439437566 /nfs/dbraw/zinc/43/75/66/439437566.db2.gz NOMZPJGVDDDVFU-HNNXBMFYSA-N 2 2 331.420 0.118 20 30 ECEDLP COc1cc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)ccc1C#N ZINC000530242899 439493657 /nfs/dbraw/zinc/49/36/57/439493657.db2.gz PVFVMQBPNGKFTP-UHFFFAOYSA-N 2 2 343.431 0.710 20 30 ECEDLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441863 439563377 /nfs/dbraw/zinc/56/33/77/439563377.db2.gz XLNFBLYAGPUPMY-ZFWWWQNUSA-N 2 2 335.452 0.209 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CCN(CC#N)CC3)C2)CC1 ZINC000609639802 439583201 /nfs/dbraw/zinc/58/32/01/439583201.db2.gz FFHKLKUESKGEMN-MRXNPFEDSA-N 2 2 348.495 0.442 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3CCN(CC#N)CC3)C2)CC1 ZINC000609639802 439583207 /nfs/dbraw/zinc/58/32/07/439583207.db2.gz FFHKLKUESKGEMN-MRXNPFEDSA-N 2 2 348.495 0.442 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600728621 439695550 /nfs/dbraw/zinc/69/55/50/439695550.db2.gz VWDSEOGLUDRVLW-AXFHLTTASA-N 2 2 336.358 0.846 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600728621 439695553 /nfs/dbraw/zinc/69/55/53/439695553.db2.gz VWDSEOGLUDRVLW-AXFHLTTASA-N 2 2 336.358 0.846 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000600742688 439697902 /nfs/dbraw/zinc/69/79/02/439697902.db2.gz KEENLKGANFNJEM-IRXDYDNUSA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000600742688 439697906 /nfs/dbraw/zinc/69/79/06/439697906.db2.gz KEENLKGANFNJEM-IRXDYDNUSA-N 2 2 333.432 0.734 20 30 ECEDLP C=CCn1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1 ZINC000648756739 440319487 /nfs/dbraw/zinc/31/94/87/440319487.db2.gz KRBBWMFLSMSPRH-UHFFFAOYSA-N 2 2 332.452 0.753 20 30 ECEDLP CN(C)c1nccc(N[NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)n1 ZINC000755738367 579438126 /nfs/dbraw/zinc/43/81/26/579438126.db2.gz HZGXRRJYFCSOQO-UHFFFAOYSA-N 2 2 341.423 0.530 20 30 ECEDLP C#C[C@@H]([NH2+]CC1(C[NH2+][C@@H](C#C)[C@H]2CCCO2)COC1)[C@H]1CCCO1 ZINC000775801785 579271663 /nfs/dbraw/zinc/27/16/63/579271663.db2.gz WJMJDOWBCNPMME-XMTFNYHQSA-N 2 2 332.444 0.544 20 30 ECEDLP C#C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000776225236 579278034 /nfs/dbraw/zinc/27/80/34/579278034.db2.gz AKHSDZMIVOXMMZ-OKZBNKHCSA-N 2 2 348.491 0.977 20 30 ECEDLP C#C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000776225236 579278035 /nfs/dbraw/zinc/27/80/35/579278035.db2.gz AKHSDZMIVOXMMZ-OKZBNKHCSA-N 2 2 348.491 0.977 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3nc(C#N)cs3)C2)CC1 ZINC000893024247 586307036 /nfs/dbraw/zinc/30/70/36/586307036.db2.gz SXJNMPABHGGPLS-LBPRGKRZSA-N 2 2 348.476 0.982 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3nc(C#N)cs3)C2)CC1 ZINC000893024247 586307038 /nfs/dbraw/zinc/30/70/38/586307038.db2.gz SXJNMPABHGGPLS-LBPRGKRZSA-N 2 2 348.476 0.982 20 30 ECEDLP CCn1cc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000902703500 586755111 /nfs/dbraw/zinc/75/51/11/586755111.db2.gz OAGYUYRPRMTOBQ-UHFFFAOYSA-N 2 2 344.419 0.967 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906578988 586956670 /nfs/dbraw/zinc/95/66/70/586956670.db2.gz NCCDGUMVYPSLAS-UHFFFAOYSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906578988 586956671 /nfs/dbraw/zinc/95/66/71/586956671.db2.gz NCCDGUMVYPSLAS-UHFFFAOYSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[NH+]1CCN(c2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000840255349 587237226 /nfs/dbraw/zinc/23/72/26/587237226.db2.gz DLGJVEYBWXFXCO-CVEARBPZSA-N 2 2 329.448 0.829 20 30 ECEDLP CCn1ncnc1CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000853658423 589553962 /nfs/dbraw/zinc/55/39/62/589553962.db2.gz PTDUDXFPZAVUIU-UHFFFAOYSA-N 2 2 344.419 0.967 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000854094201 589570860 /nfs/dbraw/zinc/57/08/60/589570860.db2.gz HOCODKXNPROVDQ-UHFFFAOYSA-N 2 2 336.480 0.695 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000854094201 589570862 /nfs/dbraw/zinc/57/08/62/589570862.db2.gz HOCODKXNPROVDQ-UHFFFAOYSA-N 2 2 336.480 0.695 20 30 ECEDLP C#CC[C@@H](CCOC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000858238632 589734401 /nfs/dbraw/zinc/73/44/01/589734401.db2.gz KVWUWSSSPASKCF-HOTGVXAUSA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[C@@H](CCOC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000858238632 589734403 /nfs/dbraw/zinc/73/44/03/589734403.db2.gz KVWUWSSSPASKCF-HOTGVXAUSA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868652983 589919247 /nfs/dbraw/zinc/91/92/47/589919247.db2.gz NQXCDJOJETWVLD-UHFFFAOYSA-N 2 2 335.496 0.363 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000868652983 589919248 /nfs/dbraw/zinc/91/92/48/589919248.db2.gz NQXCDJOJETWVLD-UHFFFAOYSA-N 2 2 335.496 0.363 20 30 ECEDLP C[N@@H+]1CCC(=NNC(=S)NCC[NH+]2CCOCC2)CC1(C)C ZINC000863066940 589989635 /nfs/dbraw/zinc/98/96/35/589989635.db2.gz ALSHJCLTQYLHHM-UHFFFAOYSA-N 2 2 327.498 0.643 20 30 ECEDLP Cc1nn(C[C@H](O)C[N@H+](C)CCC#N)c(C)c1[C@H]1COCC[NH+]1C ZINC000871986700 590095443 /nfs/dbraw/zinc/09/54/43/590095443.db2.gz PAWUAYPOUBYYFH-HZPDHXFCSA-N 2 2 335.452 0.709 20 30 ECEDLP Cc1nn(C[C@H](O)C[N@@H+](C)CCC#N)c(C)c1[C@H]1COCC[NH+]1C ZINC000871986700 590095446 /nfs/dbraw/zinc/09/54/46/590095446.db2.gz PAWUAYPOUBYYFH-HZPDHXFCSA-N 2 2 335.452 0.709 20 30 ECEDLP Cc1nn(C[C@H](O)C[NH+](C)CCC#N)c(C)c1[C@H]1COCC[N@@H+]1C ZINC000871986700 590095449 /nfs/dbraw/zinc/09/54/49/590095449.db2.gz PAWUAYPOUBYYFH-HZPDHXFCSA-N 2 2 335.452 0.709 20 30 ECEDLP Cc1nn(C[C@H](O)C[NH+](C)CCC#N)c(C)c1[C@H]1COCC[N@H+]1C ZINC000871986700 590095452 /nfs/dbraw/zinc/09/54/52/590095452.db2.gz PAWUAYPOUBYYFH-HZPDHXFCSA-N 2 2 335.452 0.709 20 30 ECEDLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000872218706 590105609 /nfs/dbraw/zinc/10/56/09/590105609.db2.gz SCYOFEDRFBXQBJ-DLBZAZTESA-N 2 2 347.459 0.927 20 30 ECEDLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000872218706 590105611 /nfs/dbraw/zinc/10/56/11/590105611.db2.gz SCYOFEDRFBXQBJ-DLBZAZTESA-N 2 2 347.459 0.927 20 30 ECEDLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876746319 590407929 /nfs/dbraw/zinc/40/79/29/590407929.db2.gz JYYLOTUCPXEOHT-QGZVFWFLSA-N 2 2 342.443 0.972 20 30 ECEDLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876746319 590407932 /nfs/dbraw/zinc/40/79/32/590407932.db2.gz JYYLOTUCPXEOHT-QGZVFWFLSA-N 2 2 342.443 0.972 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000876753371 590409914 /nfs/dbraw/zinc/40/99/14/590409914.db2.gz DSOAXEQBQJJXEE-CYBMUJFWSA-N 2 2 327.816 0.624 20 30 ECEDLP C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000876782697 590414380 /nfs/dbraw/zinc/41/43/80/590414380.db2.gz SXVAWHORAKFBOS-KSSFIOAISA-N 2 2 341.459 0.497 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000889332550 590683111 /nfs/dbraw/zinc/68/31/11/590683111.db2.gz DPWQAQVWRMNZBG-DLBZAZTESA-N 3 2 337.512 0.655 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000889332550 590683114 /nfs/dbraw/zinc/68/31/14/590683114.db2.gz DPWQAQVWRMNZBG-DLBZAZTESA-N 3 2 337.512 0.655 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000889332550 590683120 /nfs/dbraw/zinc/68/31/20/590683120.db2.gz DPWQAQVWRMNZBG-DLBZAZTESA-N 3 2 337.512 0.655 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C)C1 ZINC000889332550 590683123 /nfs/dbraw/zinc/68/31/23/590683123.db2.gz DPWQAQVWRMNZBG-DLBZAZTESA-N 3 2 337.512 0.655 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000884055030 590722425 /nfs/dbraw/zinc/72/24/25/590722425.db2.gz ZIDQRAFJJUBWHI-QGZVFWFLSA-N 2 2 335.496 0.411 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000884055030 590722427 /nfs/dbraw/zinc/72/24/27/590722427.db2.gz ZIDQRAFJJUBWHI-QGZVFWFLSA-N 2 2 335.496 0.411 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163351 590759078 /nfs/dbraw/zinc/75/90/78/590759078.db2.gz DHPSLQYKYMEPEU-SJORKVTESA-N 3 2 347.507 0.552 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163351 590759080 /nfs/dbraw/zinc/75/90/80/590759080.db2.gz DHPSLQYKYMEPEU-SJORKVTESA-N 3 2 347.507 0.552 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163351 590759081 /nfs/dbraw/zinc/75/90/81/590759081.db2.gz DHPSLQYKYMEPEU-SJORKVTESA-N 3 2 347.507 0.552 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163351 590759083 /nfs/dbraw/zinc/75/90/83/590759083.db2.gz DHPSLQYKYMEPEU-SJORKVTESA-N 3 2 347.507 0.552 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000884199332 590772019 /nfs/dbraw/zinc/77/20/19/590772019.db2.gz WPZBPMWVNIKHPZ-ZWKOTPCHSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000884199332 590772023 /nfs/dbraw/zinc/77/20/23/590772023.db2.gz WPZBPMWVNIKHPZ-ZWKOTPCHSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000884199332 590772026 /nfs/dbraw/zinc/77/20/26/590772026.db2.gz WPZBPMWVNIKHPZ-ZWKOTPCHSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000884199332 590772028 /nfs/dbraw/zinc/77/20/28/590772028.db2.gz WPZBPMWVNIKHPZ-ZWKOTPCHSA-N 2 2 349.523 0.657 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000884234253 590784774 /nfs/dbraw/zinc/78/47/74/590784774.db2.gz NASXPPCTLRUAKY-INIZCTEOSA-N 2 2 346.431 0.609 20 30 ECEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000104160738 591052512 /nfs/dbraw/zinc/05/25/12/591052512.db2.gz BVHLFZKTIKELKK-SJORKVTESA-N 3 2 338.544 0.647 20 30 ECEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000104160738 591052516 /nfs/dbraw/zinc/05/25/16/591052516.db2.gz BVHLFZKTIKELKK-SJORKVTESA-N 3 2 338.544 0.647 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000890373039 591155020 /nfs/dbraw/zinc/15/50/20/591155020.db2.gz PGLUWDLHDBUYCM-MRXNPFEDSA-N 2 2 344.463 0.345 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000890373039 591155021 /nfs/dbraw/zinc/15/50/21/591155021.db2.gz PGLUWDLHDBUYCM-MRXNPFEDSA-N 2 2 344.463 0.345 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC000948449927 611601480 /nfs/dbraw/zinc/60/14/80/611601480.db2.gz YJTQOXDQYFKCDM-IRXDYDNUSA-N 2 2 345.447 0.980 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC000948449927 611601485 /nfs/dbraw/zinc/60/14/85/611601485.db2.gz YJTQOXDQYFKCDM-IRXDYDNUSA-N 2 2 345.447 0.980 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000948449927 611601488 /nfs/dbraw/zinc/60/14/88/611601488.db2.gz YJTQOXDQYFKCDM-IRXDYDNUSA-N 2 2 345.447 0.980 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](Cc2cnon2)CC1 ZINC000948449927 611601492 /nfs/dbraw/zinc/60/14/92/611601492.db2.gz YJTQOXDQYFKCDM-IRXDYDNUSA-N 2 2 345.447 0.980 20 30 ECEDLP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000949326223 608636174 /nfs/dbraw/zinc/63/61/74/608636174.db2.gz HYTRVMSRAAJQBC-MRXNPFEDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000949326223 608636176 /nfs/dbraw/zinc/63/61/76/608636176.db2.gz HYTRVMSRAAJQBC-MRXNPFEDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC000949326223 608636177 /nfs/dbraw/zinc/63/61/77/608636177.db2.gz HYTRVMSRAAJQBC-MRXNPFEDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC000949326223 608636178 /nfs/dbraw/zinc/63/61/78/608636178.db2.gz HYTRVMSRAAJQBC-MRXNPFEDSA-N 2 2 337.464 0.587 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000920450920 609682630 /nfs/dbraw/zinc/68/26/30/609682630.db2.gz MBEJFFBDBYIMES-MRXNPFEDSA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnsn3)C2)CC1 ZINC000939810199 610136767 /nfs/dbraw/zinc/13/67/67/610136767.db2.gz LHMJFJYZAFHQJR-CZUORRHYSA-N 2 2 347.488 0.820 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC000941464227 610319445 /nfs/dbraw/zinc/31/94/45/610319445.db2.gz GYMUZWZRUAQGNM-UHFFFAOYSA-N 2 2 345.447 0.202 20 30 ECEDLP C#CCC[NH+]1CCC2(CC1)CN(C(=O)CCn1cc[nH+]c1)CCO2 ZINC000949153846 611878925 /nfs/dbraw/zinc/87/89/25/611878925.db2.gz ITWREHVXRWZCTL-UHFFFAOYSA-N 2 2 330.432 0.990 20 30 ECEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]c[nH+]c1C)CCO2 ZINC000949236233 611913816 /nfs/dbraw/zinc/91/38/16/611913816.db2.gz MXVNCEADHFMMJE-UHFFFAOYSA-N 2 2 330.432 0.977 20 30 ECEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000949406156 611967565 /nfs/dbraw/zinc/96/75/65/611967565.db2.gz TUOYDMNAXYKLLL-UHFFFAOYSA-N 2 2 331.460 0.941 20 30 ECEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000949406156 611967567 /nfs/dbraw/zinc/96/75/67/611967567.db2.gz TUOYDMNAXYKLLL-UHFFFAOYSA-N 2 2 331.460 0.941 20 30 ECEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971996833 735481313 /nfs/dbraw/zinc/48/13/13/735481313.db2.gz ICJGSLHXFUMLTB-ZACQAIPSSA-N 2 2 335.448 0.032 20 30 ECEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971996833 735481315 /nfs/dbraw/zinc/48/13/15/735481315.db2.gz ICJGSLHXFUMLTB-ZACQAIPSSA-N 2 2 335.448 0.032 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nccn1C ZINC001024987464 738462036 /nfs/dbraw/zinc/46/20/36/738462036.db2.gz LOOGMUYEUFRSSH-IRXDYDNUSA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nccn1C ZINC001024987464 738462038 /nfs/dbraw/zinc/46/20/38/738462038.db2.gz LOOGMUYEUFRSSH-IRXDYDNUSA-N 2 2 343.475 0.988 20 30 ECEDLP Cc1cc[nH+]c(N2CCN(C(NCC(=O)N(C)C)=[NH+]C3CC3)CC2)c1 ZINC000262335573 736537946 /nfs/dbraw/zinc/53/79/46/736537946.db2.gz VZWLGFYVXKSYOZ-UHFFFAOYSA-N 2 2 344.463 0.708 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2csnn2)C1 ZINC001024022193 737627135 /nfs/dbraw/zinc/62/71/35/737627135.db2.gz PTDGKUSFZMOEGY-ZBFHGGJFSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2csnn2)C1 ZINC001024022193 737627138 /nfs/dbraw/zinc/62/71/38/737627138.db2.gz PTDGKUSFZMOEGY-ZBFHGGJFSA-N 2 2 347.488 0.964 20 30 ECEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104954571 741025146 /nfs/dbraw/zinc/02/51/46/741025146.db2.gz IOTKPURDJCLDRT-GDBMZVCRSA-N 2 2 332.448 0.985 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)nn1 ZINC001105259530 741580935 /nfs/dbraw/zinc/58/09/35/741580935.db2.gz CAEOYOIKYIGQKF-OAHLLOKOSA-N 2 2 341.419 0.711 20 30 ECEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)nn1 ZINC001105337073 742422361 /nfs/dbraw/zinc/42/23/61/742422361.db2.gz QYPDLAJDKCBBGF-AWEZNQCLSA-N 2 2 341.419 0.622 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001027091558 742525784 /nfs/dbraw/zinc/52/57/84/742525784.db2.gz PCKPPXKMUFEWAI-UKRRQHHQSA-N 2 2 331.420 0.177 20 30 ECEDLP CC[N@@H+]1CCCC[C@H]1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261947579 742984301 /nfs/dbraw/zinc/98/43/01/742984301.db2.gz GJODJUORQDRMNG-AWEZNQCLSA-N 2 2 344.525 0.945 20 30 ECEDLP CC[N@H+]1CCCC[C@H]1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261947579 742984303 /nfs/dbraw/zinc/98/43/03/742984303.db2.gz GJODJUORQDRMNG-AWEZNQCLSA-N 2 2 344.525 0.945 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1=O ZINC000997220909 743365606 /nfs/dbraw/zinc/36/56/06/743365606.db2.gz HIWZJMVCUMXVBD-HNNXBMFYSA-N 2 2 345.447 0.628 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cncn2C)C1 ZINC001027446377 744485588 /nfs/dbraw/zinc/48/55/88/744485588.db2.gz IBCSOQGYHWQYLY-WMZOPIPTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cncn2C)C1 ZINC001027446377 744485590 /nfs/dbraw/zinc/48/55/90/744485590.db2.gz IBCSOQGYHWQYLY-WMZOPIPTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2cncn2C)C1 ZINC001027446377 744485591 /nfs/dbraw/zinc/48/55/91/744485591.db2.gz IBCSOQGYHWQYLY-WMZOPIPTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2cncn2C)C1 ZINC001027446377 744485592 /nfs/dbraw/zinc/48/55/92/744485592.db2.gz IBCSOQGYHWQYLY-WMZOPIPTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3cnsn3)C2)CC1 ZINC001000993007 745958332 /nfs/dbraw/zinc/95/83/32/745958332.db2.gz PGLJASUTOGJTRW-HNNXBMFYSA-N 2 2 347.488 0.964 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001002524341 747469998 /nfs/dbraw/zinc/46/99/98/747469998.db2.gz SVHFQVBOQDEJJM-SFHVURJKSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001002524341 747470001 /nfs/dbraw/zinc/47/00/01/747470001.db2.gz SVHFQVBOQDEJJM-SFHVURJKSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC001003054936 748122429 /nfs/dbraw/zinc/12/24/29/748122429.db2.gz CSFVGCXCUWRFKY-KRWDZBQOSA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC001003054936 748122437 /nfs/dbraw/zinc/12/24/37/748122437.db2.gz CSFVGCXCUWRFKY-KRWDZBQOSA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nccn2C)C1 ZINC001029757650 748268046 /nfs/dbraw/zinc/26/80/46/748268046.db2.gz FTHPDLBCZZHBJK-IRXDYDNUSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2nccn2C)C1 ZINC001029757650 748268049 /nfs/dbraw/zinc/26/80/49/748268049.db2.gz FTHPDLBCZZHBJK-IRXDYDNUSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2nccn2C)C1 ZINC001029757650 748268054 /nfs/dbraw/zinc/26/80/54/748268054.db2.gz FTHPDLBCZZHBJK-IRXDYDNUSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2nccn2C)C1 ZINC001029757650 748268056 /nfs/dbraw/zinc/26/80/56/748268056.db2.gz FTHPDLBCZZHBJK-IRXDYDNUSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnn(C)n2)C1 ZINC001029758024 748269864 /nfs/dbraw/zinc/26/98/64/748269864.db2.gz OYLHZYPNURGZQT-RDJZCZTQSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cnn(C)n2)C1 ZINC001029758024 748269869 /nfs/dbraw/zinc/26/98/69/748269869.db2.gz OYLHZYPNURGZQT-RDJZCZTQSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cnn(C)n2)C1 ZINC001029758024 748269873 /nfs/dbraw/zinc/26/98/73/748269873.db2.gz OYLHZYPNURGZQT-RDJZCZTQSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cnn(C)n2)C1 ZINC001029758024 748269878 /nfs/dbraw/zinc/26/98/78/748269878.db2.gz OYLHZYPNURGZQT-RDJZCZTQSA-N 2 2 344.463 0.193 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000985832747 749201546 /nfs/dbraw/zinc/20/15/46/749201546.db2.gz OGNAQGNBQMSGHU-MRXNPFEDSA-N 2 2 349.479 0.006 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000985832747 749201551 /nfs/dbraw/zinc/20/15/51/749201551.db2.gz OGNAQGNBQMSGHU-MRXNPFEDSA-N 2 2 349.479 0.006 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccn(C)n3)C2)CC1 ZINC000980479203 749631319 /nfs/dbraw/zinc/63/13/19/749631319.db2.gz USNQDUZEFZAXJQ-SFHVURJKSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)Cc3ccn(C)n3)C2)CC1 ZINC000980479203 749631326 /nfs/dbraw/zinc/63/13/26/749631326.db2.gz USNQDUZEFZAXJQ-SFHVURJKSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC001027942333 749664725 /nfs/dbraw/zinc/66/47/25/749664725.db2.gz CBQDKICKCKIUIW-IRXDYDNUSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC001027942333 749664732 /nfs/dbraw/zinc/66/47/32/749664732.db2.gz CBQDKICKCKIUIW-IRXDYDNUSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1cnn(C)c1 ZINC001027942333 749664735 /nfs/dbraw/zinc/66/47/35/749664735.db2.gz CBQDKICKCKIUIW-IRXDYDNUSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1cnn(C)c1 ZINC001027942333 749664741 /nfs/dbraw/zinc/66/47/41/749664741.db2.gz CBQDKICKCKIUIW-IRXDYDNUSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCN2CCCC2=O)CC1 ZINC000981365644 750628302 /nfs/dbraw/zinc/62/83/02/750628302.db2.gz SEYLTPSNOKWGHC-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCN2CCCC2=O)CC1 ZINC000981365644 750628304 /nfs/dbraw/zinc/62/83/04/750628304.db2.gz SEYLTPSNOKWGHC-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCN2CCCC2=O)CC1 ZINC000981365644 750628306 /nfs/dbraw/zinc/62/83/06/750628306.db2.gz SEYLTPSNOKWGHC-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCN2CCCC2=O)CC1 ZINC000981365644 750628308 /nfs/dbraw/zinc/62/83/08/750628308.db2.gz SEYLTPSNOKWGHC-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001008028605 753214233 /nfs/dbraw/zinc/21/42/33/753214233.db2.gz ZUBNROPVJRGATL-KURKYZTESA-N 2 2 349.475 0.470 20 30 ECEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001008028605 753214235 /nfs/dbraw/zinc/21/42/35/753214235.db2.gz ZUBNROPVJRGATL-KURKYZTESA-N 2 2 349.475 0.470 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001028603642 753896975 /nfs/dbraw/zinc/89/69/75/753896975.db2.gz GHDOLPLDWBGEDQ-ZBFHGGJFSA-N 2 2 346.431 0.719 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001028603642 753896984 /nfs/dbraw/zinc/89/69/84/753896984.db2.gz GHDOLPLDWBGEDQ-ZBFHGGJFSA-N 2 2 346.431 0.719 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cc(OC)no2)C1 ZINC001028603642 753896991 /nfs/dbraw/zinc/89/69/91/753896991.db2.gz GHDOLPLDWBGEDQ-ZBFHGGJFSA-N 2 2 346.431 0.719 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cc(OC)no2)C1 ZINC001028603642 753897004 /nfs/dbraw/zinc/89/70/04/753897004.db2.gz GHDOLPLDWBGEDQ-ZBFHGGJFSA-N 2 2 346.431 0.719 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC(n3cc(C[NH2+]CCF)nn3)C2)CC1 ZINC001105376662 754043907 /nfs/dbraw/zinc/04/39/07/754043907.db2.gz BQBZDQJGVLIJBY-UHFFFAOYSA-N 2 2 348.426 0.066 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnon3)C[C@H]2C)CC1 ZINC000989828553 754497760 /nfs/dbraw/zinc/49/77/60/754497760.db2.gz FQPGYZRQMCRVSD-UKRRQHHQSA-N 2 2 331.420 0.494 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001009513064 754965371 /nfs/dbraw/zinc/96/53/71/754965371.db2.gz FBCUQJZAEDIJLO-HZPDHXFCSA-N 2 2 334.464 0.450 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001009513064 754965375 /nfs/dbraw/zinc/96/53/75/754965375.db2.gz FBCUQJZAEDIJLO-HZPDHXFCSA-N 2 2 334.464 0.450 20 30 ECEDLP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105673493 755800597 /nfs/dbraw/zinc/80/05/97/755800597.db2.gz MFKZLDUJBDZVQA-PSBWJHGTSA-N 2 2 344.459 0.873 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C3CC3)[NH+](C)C)nn2)C1 ZINC001107179511 757295182 /nfs/dbraw/zinc/29/51/82/757295182.db2.gz LMWHIAJDCITELY-INIZCTEOSA-N 2 2 330.436 0.115 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)nn2)C1 ZINC001107238085 758028582 /nfs/dbraw/zinc/02/85/82/758028582.db2.gz GJPMHZSJGHJRFU-HUUCEWRRSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(C)no2)C1 ZINC001051660128 762617938 /nfs/dbraw/zinc/61/79/38/762617938.db2.gz MBHHQBRBLXMBPI-IRXDYDNUSA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cc(C)no2)C1 ZINC001051660128 762617941 /nfs/dbraw/zinc/61/79/41/762617941.db2.gz MBHHQBRBLXMBPI-IRXDYDNUSA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001022221974 758443137 /nfs/dbraw/zinc/44/31/37/758443137.db2.gz UDAUJGMBLCIYFK-MJBXVCDLSA-N 2 2 331.420 0.466 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001022221974 758443141 /nfs/dbraw/zinc/44/31/41/758443141.db2.gz UDAUJGMBLCIYFK-MJBXVCDLSA-N 2 2 331.420 0.466 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2noc(CC)n2)CC1 ZINC000996683135 758463872 /nfs/dbraw/zinc/46/38/72/758463872.db2.gz ASHMBORQFPWASU-HNNXBMFYSA-N 2 2 345.447 0.810 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2noc(CC)n2)CC1 ZINC000996683135 758463875 /nfs/dbraw/zinc/46/38/75/758463875.db2.gz ASHMBORQFPWASU-HNNXBMFYSA-N 2 2 345.447 0.810 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127779009 758642224 /nfs/dbraw/zinc/64/22/24/758642224.db2.gz IKKHBSXICCDEQI-CYBMUJFWSA-N 2 2 333.436 0.158 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001032201780 759581580 /nfs/dbraw/zinc/58/15/80/759581580.db2.gz JYSDCGGVTBFSIU-GOSISDBHSA-N 2 2 342.443 0.827 20 30 ECEDLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001032201780 759581584 /nfs/dbraw/zinc/58/15/84/759581584.db2.gz JYSDCGGVTBFSIU-GOSISDBHSA-N 2 2 342.443 0.827 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001051082290 761456807 /nfs/dbraw/zinc/45/68/07/761456807.db2.gz XZKXEEAQXMOTJH-SJORKVTESA-N 2 2 339.480 0.879 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082290 761456808 /nfs/dbraw/zinc/45/68/08/761456808.db2.gz XZKXEEAQXMOTJH-SJORKVTESA-N 2 2 339.480 0.879 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001051082290 761456809 /nfs/dbraw/zinc/45/68/09/761456809.db2.gz XZKXEEAQXMOTJH-SJORKVTESA-N 2 2 339.480 0.879 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001051082290 761456814 /nfs/dbraw/zinc/45/68/14/761456814.db2.gz XZKXEEAQXMOTJH-SJORKVTESA-N 2 2 339.480 0.879 20 30 ECEDLP N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)cc1 ZINC001051848301 763102657 /nfs/dbraw/zinc/10/26/57/763102657.db2.gz ORRXLTGBFKYKKO-KRWDZBQOSA-N 2 2 339.399 0.841 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCc2nc(C)no2)C1 ZINC001014777187 763135967 /nfs/dbraw/zinc/13/59/67/763135967.db2.gz UJXMNECWMSMKKT-CVEARBPZSA-N 2 2 345.447 0.599 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCc2nc(C)no2)C1 ZINC001014777187 763135972 /nfs/dbraw/zinc/13/59/72/763135972.db2.gz UJXMNECWMSMKKT-CVEARBPZSA-N 2 2 345.447 0.599 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCc2nc(C)no2)C1 ZINC001014777187 763135976 /nfs/dbraw/zinc/13/59/76/763135976.db2.gz UJXMNECWMSMKKT-CVEARBPZSA-N 2 2 345.447 0.599 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCc2nc(C)no2)C1 ZINC001014777187 763135981 /nfs/dbraw/zinc/13/59/81/763135981.db2.gz UJXMNECWMSMKKT-CVEARBPZSA-N 2 2 345.447 0.599 20 30 ECEDLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052048534 763696924 /nfs/dbraw/zinc/69/69/24/763696924.db2.gz WXQCGSNHGBHNDK-ZWKOTPCHSA-N 2 2 347.507 0.849 20 30 ECEDLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052048534 763696926 /nfs/dbraw/zinc/69/69/26/763696926.db2.gz WXQCGSNHGBHNDK-ZWKOTPCHSA-N 2 2 347.507 0.849 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052075971 763783245 /nfs/dbraw/zinc/78/32/45/763783245.db2.gz DSGPRTQQHIZVTR-QZTJIDSGSA-N 2 2 334.508 0.814 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081681 763798571 /nfs/dbraw/zinc/79/85/71/763798571.db2.gz FBCXEQKJEGELEK-ROUUACIJSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081681 763798577 /nfs/dbraw/zinc/79/85/77/763798577.db2.gz FBCXEQKJEGELEK-ROUUACIJSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081681 763798584 /nfs/dbraw/zinc/79/85/84/763798584.db2.gz FBCXEQKJEGELEK-ROUUACIJSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081681 763798590 /nfs/dbraw/zinc/79/85/90/763798590.db2.gz FBCXEQKJEGELEK-ROUUACIJSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081679 763799116 /nfs/dbraw/zinc/79/91/16/763799116.db2.gz FBCXEQKJEGELEK-MSOLQXFVSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081679 763799123 /nfs/dbraw/zinc/79/91/23/763799123.db2.gz FBCXEQKJEGELEK-MSOLQXFVSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081679 763799127 /nfs/dbraw/zinc/79/91/27/763799127.db2.gz FBCXEQKJEGELEK-MSOLQXFVSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081679 763799133 /nfs/dbraw/zinc/79/91/33/763799133.db2.gz FBCXEQKJEGELEK-MSOLQXFVSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941567578 763801894 /nfs/dbraw/zinc/80/18/94/763801894.db2.gz XYGFELNMHCNHMR-UHFFFAOYSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941567578 763801909 /nfs/dbraw/zinc/80/19/09/763801909.db2.gz XYGFELNMHCNHMR-UHFFFAOYSA-N 2 2 332.492 0.570 20 30 ECEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334992 764395155 /nfs/dbraw/zinc/39/51/55/764395155.db2.gz SFSVOYFJJNXLLA-IQXANGCESA-N 2 2 325.840 0.793 20 30 ECEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334992 764395164 /nfs/dbraw/zinc/39/51/64/764395164.db2.gz SFSVOYFJJNXLLA-IQXANGCESA-N 2 2 325.840 0.793 20 30 ECEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015334992 764395170 /nfs/dbraw/zinc/39/51/70/764395170.db2.gz SFSVOYFJJNXLLA-IQXANGCESA-N 2 2 325.840 0.793 20 30 ECEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015334992 764395181 /nfs/dbraw/zinc/39/51/81/764395181.db2.gz SFSVOYFJJNXLLA-IQXANGCESA-N 2 2 325.840 0.793 20 30 ECEDLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083780280 764450813 /nfs/dbraw/zinc/45/08/13/764450813.db2.gz QSDDDWKSLKPBPX-QGTPRVQTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083780280 764450819 /nfs/dbraw/zinc/45/08/19/764450819.db2.gz QSDDDWKSLKPBPX-QGTPRVQTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083780280 764450822 /nfs/dbraw/zinc/45/08/22/764450822.db2.gz QSDDDWKSLKPBPX-QGTPRVQTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083780280 764450825 /nfs/dbraw/zinc/45/08/25/764450825.db2.gz QSDDDWKSLKPBPX-QGTPRVQTSA-N 2 2 342.443 0.561 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098766844 764571968 /nfs/dbraw/zinc/57/19/68/764571968.db2.gz HGZVBEPZUUCJBC-ZBFHGGJFSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766844 764571976 /nfs/dbraw/zinc/57/19/76/764571976.db2.gz HGZVBEPZUUCJBC-ZBFHGGJFSA-N 2 2 330.436 0.116 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098767317 764604115 /nfs/dbraw/zinc/60/41/15/764604115.db2.gz LCSDRUABJDQFMM-INIZCTEOSA-N 2 2 342.447 0.260 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001052582316 764797303 /nfs/dbraw/zinc/79/73/03/764797303.db2.gz NFISYPULPMNZIN-KURKYZTESA-N 2 2 349.475 0.470 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001052582316 764797310 /nfs/dbraw/zinc/79/73/10/764797310.db2.gz NFISYPULPMNZIN-KURKYZTESA-N 2 2 349.475 0.470 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)C1=O ZINC001089041315 764866729 /nfs/dbraw/zinc/86/67/29/764866729.db2.gz OVPDGBYQQBYVCH-VNQPRFMTSA-N 2 2 345.447 0.557 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)C1=O ZINC001089041315 764866742 /nfs/dbraw/zinc/86/67/42/764866742.db2.gz OVPDGBYQQBYVCH-VNQPRFMTSA-N 2 2 345.447 0.557 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3cnon3)CC2)CC1 ZINC001052953670 765409255 /nfs/dbraw/zinc/40/92/55/765409255.db2.gz FLVXEVYEVCEDPV-INIZCTEOSA-N 2 2 345.447 0.886 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3cnon3)CC2)CC1 ZINC001052953670 765409260 /nfs/dbraw/zinc/40/92/60/765409260.db2.gz FLVXEVYEVCEDPV-INIZCTEOSA-N 2 2 345.447 0.886 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001046049153 766783083 /nfs/dbraw/zinc/78/30/83/766783083.db2.gz LCFTZYOLMKVECA-QGZVFWFLSA-N 2 2 329.448 0.515 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001046049153 766783087 /nfs/dbraw/zinc/78/30/87/766783087.db2.gz LCFTZYOLMKVECA-QGZVFWFLSA-N 2 2 329.448 0.515 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001046062070 766832352 /nfs/dbraw/zinc/83/23/52/766832352.db2.gz ARXMDPMKXXEFFJ-BRWVUGGUSA-N 2 2 341.459 0.375 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001046062070 766832362 /nfs/dbraw/zinc/83/23/62/766832362.db2.gz ARXMDPMKXXEFFJ-BRWVUGGUSA-N 2 2 341.459 0.375 20 30 ECEDLP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001046077243 766906080 /nfs/dbraw/zinc/90/60/80/766906080.db2.gz SXOBSNIPOGABMA-INIZCTEOSA-N 2 2 343.475 0.929 20 30 ECEDLP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001046077243 766906081 /nfs/dbraw/zinc/90/60/81/766906081.db2.gz SXOBSNIPOGABMA-INIZCTEOSA-N 2 2 343.475 0.929 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)CO2 ZINC001053828694 766959840 /nfs/dbraw/zinc/95/98/40/766959840.db2.gz XTIKEUCXZSDVGD-IRXDYDNUSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)CO2 ZINC001053828694 766959845 /nfs/dbraw/zinc/95/98/45/766959845.db2.gz XTIKEUCXZSDVGD-IRXDYDNUSA-N 2 2 333.476 0.947 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168493286 768554992 /nfs/dbraw/zinc/55/49/92/768554992.db2.gz WVZYDDLRKZJDRC-AWEZNQCLSA-N 2 2 333.436 0.450 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2ncccn2)C1 ZINC001018986135 770485371 /nfs/dbraw/zinc/48/53/71/770485371.db2.gz RWIZVRAXZCPZCQ-PMPSAXMXSA-N 2 2 327.432 0.826 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2ncccn2)C1 ZINC001018986135 770485376 /nfs/dbraw/zinc/48/53/76/770485376.db2.gz RWIZVRAXZCPZCQ-PMPSAXMXSA-N 2 2 327.432 0.826 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)CC(C)(C)C1 ZINC001089408781 771089291 /nfs/dbraw/zinc/08/92/91/771089291.db2.gz HLUPIHMHFQDACO-CABCVRRESA-N 2 2 334.464 0.176 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)CC(C)(C)C1 ZINC001089408781 771089292 /nfs/dbraw/zinc/08/92/92/771089292.db2.gz HLUPIHMHFQDACO-CABCVRRESA-N 2 2 334.464 0.176 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(N)=O)CC(C)(C)C1 ZINC001089408781 771089296 /nfs/dbraw/zinc/08/92/96/771089296.db2.gz HLUPIHMHFQDACO-CABCVRRESA-N 2 2 334.464 0.176 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(N)=O)CC(C)(C)C1 ZINC001089408781 771089299 /nfs/dbraw/zinc/08/92/99/771089299.db2.gz HLUPIHMHFQDACO-CABCVRRESA-N 2 2 334.464 0.176 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nc(C)no3)C2)CC1 ZINC001019813583 771828548 /nfs/dbraw/zinc/82/85/48/771828548.db2.gz HQESGTRNEMJDDK-HNNXBMFYSA-N 2 2 331.420 0.414 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nccn1C ZINC001045073394 774935636 /nfs/dbraw/zinc/93/56/36/774935636.db2.gz FKLIOEOWVKRTJO-HOTGVXAUSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nccn1C ZINC001045073394 774935640 /nfs/dbraw/zinc/93/56/40/774935640.db2.gz FKLIOEOWVKRTJO-HOTGVXAUSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCn3cccn3)C2)CC1 ZINC001044333163 776174729 /nfs/dbraw/zinc/17/47/29/776174729.db2.gz LTIGTPXQEJIJAL-UHFFFAOYSA-N 2 2 329.448 0.371 20 30 ECEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001080177602 777507988 /nfs/dbraw/zinc/50/79/88/777507988.db2.gz SNVIJPXZSPACBY-VQHPVUNQSA-N 2 2 337.464 0.489 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001080177602 777507995 /nfs/dbraw/zinc/50/79/95/777507995.db2.gz SNVIJPXZSPACBY-VQHPVUNQSA-N 2 2 337.464 0.489 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001070206763 783656462 /nfs/dbraw/zinc/65/64/62/783656462.db2.gz SBMDSMAMSCVBOU-CABCVRRESA-N 2 2 329.408 0.552 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070206763 783656466 /nfs/dbraw/zinc/65/64/66/783656466.db2.gz SBMDSMAMSCVBOU-CABCVRRESA-N 2 2 329.408 0.552 20 30 ECEDLP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001071017305 784429446 /nfs/dbraw/zinc/42/94/46/784429446.db2.gz RDISCPMVSQNTQR-UHFFFAOYSA-N 2 2 347.463 0.877 20 30 ECEDLP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001071017305 784429449 /nfs/dbraw/zinc/42/94/49/784429449.db2.gz RDISCPMVSQNTQR-UHFFFAOYSA-N 2 2 347.463 0.877 20 30 ECEDLP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001071020596 784439614 /nfs/dbraw/zinc/43/96/14/784439614.db2.gz KXVMFFNUOWDMMV-UHFFFAOYSA-N 2 2 347.463 0.808 20 30 ECEDLP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001071020596 784439617 /nfs/dbraw/zinc/43/96/17/784439617.db2.gz KXVMFFNUOWDMMV-UHFFFAOYSA-N 2 2 347.463 0.808 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001070674296 784533421 /nfs/dbraw/zinc/53/34/21/784533421.db2.gz FCVZHICGBVTLDO-HUUCEWRRSA-N 2 2 328.420 0.777 20 30 ECEDLP CC(C)[C@H](C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1)[NH+](C)C ZINC001070687847 784553286 /nfs/dbraw/zinc/55/32/86/784553286.db2.gz AJIRNZVLFLGYJD-IIAWOOMASA-N 2 2 332.452 0.414 20 30 ECEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070689817 784556733 /nfs/dbraw/zinc/55/67/33/784556733.db2.gz QUMPMMHGFUAZTE-RBSFLKMASA-N 2 2 330.436 0.312 20 30 ECEDLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070689817 784556742 /nfs/dbraw/zinc/55/67/42/784556742.db2.gz QUMPMMHGFUAZTE-RBSFLKMASA-N 2 2 330.436 0.312 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001074581703 787321674 /nfs/dbraw/zinc/32/16/74/787321674.db2.gz KBSQNUHQJACAII-AVGNSLFASA-N 2 2 346.269 0.805 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001074581703 787321691 /nfs/dbraw/zinc/32/16/91/787321691.db2.gz KBSQNUHQJACAII-AVGNSLFASA-N 2 2 346.269 0.805 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001075397929 789324529 /nfs/dbraw/zinc/32/45/29/789324529.db2.gz UKLNABLLJRCGPL-SJLPKXTDSA-N 2 2 344.459 0.972 20 30 ECEDLP C#CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001075415170 789343579 /nfs/dbraw/zinc/34/35/79/789343579.db2.gz FSIDZWISVUVKLU-IEBWSBKVSA-N 2 2 344.459 0.972 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001267430035 837410578 /nfs/dbraw/zinc/41/05/78/837410578.db2.gz PWWKVNQOOYEPHC-KFWWJZLASA-N 2 2 345.447 0.359 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267566801 837785716 /nfs/dbraw/zinc/78/57/16/837785716.db2.gz HMCRHABTRSWYGE-LSDHHAIUSA-N 2 2 345.447 0.227 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267566801 837785721 /nfs/dbraw/zinc/78/57/21/837785721.db2.gz HMCRHABTRSWYGE-LSDHHAIUSA-N 2 2 345.447 0.227 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001267566935 837785962 /nfs/dbraw/zinc/78/59/62/837785962.db2.gz KLLOWXCZDGMPEK-ZBFHGGJFSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001267566935 837785968 /nfs/dbraw/zinc/78/59/68/837785968.db2.gz KLLOWXCZDGMPEK-ZBFHGGJFSA-N 2 2 345.447 0.567 20 30 ECEDLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001266246348 835551368 /nfs/dbraw/zinc/55/13/68/835551368.db2.gz NYFOZJGOQCBDJS-MRXNPFEDSA-N 2 2 349.479 0.327 20 30 ECEDLP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001266246348 835551371 /nfs/dbraw/zinc/55/13/71/835551371.db2.gz NYFOZJGOQCBDJS-MRXNPFEDSA-N 2 2 349.479 0.327 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001266330489 835711983 /nfs/dbraw/zinc/71/19/83/835711983.db2.gz FOPGCWYICMMRQV-OAHLLOKOSA-N 2 2 339.399 0.721 20 30 ECEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001266330489 835711991 /nfs/dbraw/zinc/71/19/91/835711991.db2.gz FOPGCWYICMMRQV-OAHLLOKOSA-N 2 2 339.399 0.721 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001266810661 836332973 /nfs/dbraw/zinc/33/29/73/836332973.db2.gz DEGHEFQFXXRMOQ-HOTGVXAUSA-N 2 2 345.447 0.412 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccnc1OC ZINC001266947791 836509081 /nfs/dbraw/zinc/50/90/81/836509081.db2.gz BHNITPGSZTYLJE-ZBFHGGJFSA-N 2 2 330.432 0.782 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccnc1OC ZINC001266947791 836509085 /nfs/dbraw/zinc/50/90/85/836509085.db2.gz BHNITPGSZTYLJE-ZBFHGGJFSA-N 2 2 330.432 0.782 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ncnn1C(C)(C)C ZINC001266949651 836514723 /nfs/dbraw/zinc/51/47/23/836514723.db2.gz JIXCERRDIJAIJM-GJZGRUSLSA-N 2 2 346.479 0.725 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ncnn1C(C)(C)C ZINC001266949651 836514734 /nfs/dbraw/zinc/51/47/34/836514734.db2.gz JIXCERRDIJAIJM-GJZGRUSLSA-N 2 2 346.479 0.725 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267048620 836677203 /nfs/dbraw/zinc/67/72/03/836677203.db2.gz YSEQKBVZIJYGOV-HUUCEWRRSA-N 2 2 345.447 0.186 20 30 ECEDLP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267584756 837858046 /nfs/dbraw/zinc/85/80/46/837858046.db2.gz HXGYQRBXCVEKKC-IAGOWNOFSA-N 2 2 344.459 0.876 20 30 ECEDLP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267584756 837858057 /nfs/dbraw/zinc/85/80/57/837858057.db2.gz HXGYQRBXCVEKKC-IAGOWNOFSA-N 2 2 344.459 0.876 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267775281 838538401 /nfs/dbraw/zinc/53/84/01/838538401.db2.gz PYFTXAFXCIZPKV-MRXNPFEDSA-N 2 2 336.480 0.553 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267775281 838538403 /nfs/dbraw/zinc/53/84/03/838538403.db2.gz PYFTXAFXCIZPKV-MRXNPFEDSA-N 2 2 336.480 0.553 20 30 ECEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)CC1 ZINC000107371787 285337443 /nfs/dbraw/zinc/33/74/43/285337443.db2.gz ZPYGPNZQSPOWLU-WMZOPIPTSA-N 2 2 335.496 0.753 20 30 ECEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)CC1 ZINC000107371787 285337444 /nfs/dbraw/zinc/33/74/44/285337444.db2.gz ZPYGPNZQSPOWLU-WMZOPIPTSA-N 2 2 335.496 0.753 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372839661 279213894 /nfs/dbraw/zinc/21/38/94/279213894.db2.gz QBTDBBSUJXAUGR-ROUUACIJSA-N 2 2 349.523 0.954 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372839661 279213896 /nfs/dbraw/zinc/21/38/96/279213896.db2.gz QBTDBBSUJXAUGR-ROUUACIJSA-N 2 2 349.523 0.954 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000081645882 436352482 /nfs/dbraw/zinc/35/24/82/436352482.db2.gz IRGZBGNFQBNAKD-UHFFFAOYSA-N 2 2 329.400 0.625 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000081645882 436352485 /nfs/dbraw/zinc/35/24/85/436352485.db2.gz IRGZBGNFQBNAKD-UHFFFAOYSA-N 2 2 329.400 0.625 20 30 ECEDLP CN(CCC#N)S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000097000053 436535869 /nfs/dbraw/zinc/53/58/69/436535869.db2.gz XJUQOYJZUUOQQL-UHFFFAOYSA-N 2 2 331.486 0.034 20 30 ECEDLP CN(CCC#N)S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000097000053 436535873 /nfs/dbraw/zinc/53/58/73/436535873.db2.gz XJUQOYJZUUOQQL-UHFFFAOYSA-N 2 2 331.486 0.034 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000245892846 436768680 /nfs/dbraw/zinc/76/86/80/436768680.db2.gz CEZYEQIWVSMTSF-CABCVRRESA-N 2 2 337.468 0.099 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000245892846 436768683 /nfs/dbraw/zinc/76/86/83/436768683.db2.gz CEZYEQIWVSMTSF-CABCVRRESA-N 2 2 337.468 0.099 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000293508809 436883584 /nfs/dbraw/zinc/88/35/84/436883584.db2.gz XYRSEIPGQIBVPW-UHFFFAOYSA-N 2 2 327.388 0.653 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000162521089 436908652 /nfs/dbraw/zinc/90/86/52/436908652.db2.gz ZFYGPSSZWASZTR-UHFFFAOYSA-N 2 2 332.448 0.406 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(C(=O)C(C)C)CC1 ZINC000262816139 436941885 /nfs/dbraw/zinc/94/18/85/436941885.db2.gz VTGSAFIJMWCWQO-UHFFFAOYSA-N 2 2 349.483 0.362 20 30 ECEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000264134171 437016768 /nfs/dbraw/zinc/01/67/68/437016768.db2.gz ZBLRNXUOFPSSAZ-HNNXBMFYSA-N 3 2 339.509 0.977 20 30 ECEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000283913301 437033022 /nfs/dbraw/zinc/03/30/22/437033022.db2.gz MPVYCGZVTPANPC-AWEZNQCLSA-N 2 2 333.436 0.545 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000296113001 436983110 /nfs/dbraw/zinc/98/31/10/436983110.db2.gz BMTCKJQEKFHEEF-UHFFFAOYSA-N 2 2 345.447 0.673 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000296113001 436983113 /nfs/dbraw/zinc/98/31/13/436983113.db2.gz BMTCKJQEKFHEEF-UHFFFAOYSA-N 2 2 345.447 0.673 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000296137565 436985313 /nfs/dbraw/zinc/98/53/13/436985313.db2.gz DBXIREMXHVNZFS-UHFFFAOYSA-N 2 2 345.447 0.673 20 30 ECEDLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1 ZINC000328866120 437275190 /nfs/dbraw/zinc/27/51/90/437275190.db2.gz GNTKGYIVAHLSLG-OAGGEKHMSA-N 2 2 340.468 0.416 20 30 ECEDLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1 ZINC000328866120 437275193 /nfs/dbraw/zinc/27/51/93/437275193.db2.gz GNTKGYIVAHLSLG-OAGGEKHMSA-N 2 2 340.468 0.416 20 30 ECEDLP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000328866120 437275195 /nfs/dbraw/zinc/27/51/95/437275195.db2.gz GNTKGYIVAHLSLG-OAGGEKHMSA-N 2 2 340.468 0.416 20 30 ECEDLP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000328866120 437275197 /nfs/dbraw/zinc/27/51/97/437275197.db2.gz GNTKGYIVAHLSLG-OAGGEKHMSA-N 2 2 340.468 0.416 20 30 ECEDLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000328866122 437275564 /nfs/dbraw/zinc/27/55/64/437275564.db2.gz GNTKGYIVAHLSLG-PMPSAXMXSA-N 2 2 340.468 0.416 20 30 ECEDLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000328866122 437275566 /nfs/dbraw/zinc/27/55/66/437275566.db2.gz GNTKGYIVAHLSLG-PMPSAXMXSA-N 2 2 340.468 0.416 20 30 ECEDLP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000328866122 437275572 /nfs/dbraw/zinc/27/55/72/437275572.db2.gz GNTKGYIVAHLSLG-PMPSAXMXSA-N 2 2 340.468 0.416 20 30 ECEDLP COCC[NH+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000328866122 437275575 /nfs/dbraw/zinc/27/55/75/437275575.db2.gz GNTKGYIVAHLSLG-PMPSAXMXSA-N 2 2 340.468 0.416 20 30 ECEDLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(=O)N1CCOCC1 ZINC000329159223 437327532 /nfs/dbraw/zinc/32/75/32/437327532.db2.gz XJGGRRMKVMACFK-UHFFFAOYSA-N 2 2 338.452 0.360 20 30 ECEDLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(=O)N1CCOCC1 ZINC000329159223 437327536 /nfs/dbraw/zinc/32/75/36/437327536.db2.gz XJGGRRMKVMACFK-UHFFFAOYSA-N 2 2 338.452 0.360 20 30 ECEDLP C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000337946775 437384482 /nfs/dbraw/zinc/38/44/82/437384482.db2.gz PPMNIMFYKWOEGI-AWEZNQCLSA-N 2 2 345.513 0.423 20 30 ECEDLP C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000337946775 437384485 /nfs/dbraw/zinc/38/44/85/437384485.db2.gz PPMNIMFYKWOEGI-AWEZNQCLSA-N 2 2 345.513 0.423 20 30 ECEDLP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)[NH+]1CCOCC1 ZINC000329649234 437396299 /nfs/dbraw/zinc/39/62/99/437396299.db2.gz FFSCXPRPXDTSEC-ARFHVFGLSA-N 2 2 340.468 0.416 20 30 ECEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330214948 437469565 /nfs/dbraw/zinc/46/95/65/437469565.db2.gz GNWRAMIWHIFCRJ-ZDUSSCGKSA-N 2 2 340.472 0.078 20 30 ECEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330214948 437469568 /nfs/dbraw/zinc/46/95/68/437469568.db2.gz GNWRAMIWHIFCRJ-ZDUSSCGKSA-N 2 2 340.472 0.078 20 30 ECEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCN1CC[NH+](C)CC1 ZINC000330326050 437483465 /nfs/dbraw/zinc/48/34/65/437483465.db2.gz JUFWSZVBWOBCHB-UHFFFAOYSA-N 2 2 345.451 0.775 20 30 ECEDLP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000329976280 437440283 /nfs/dbraw/zinc/44/02/83/437440283.db2.gz FFZQNKUWKITKKR-CQSZACIVSA-N 2 2 328.457 0.056 20 30 ECEDLP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000329976280 437440285 /nfs/dbraw/zinc/44/02/85/437440285.db2.gz FFZQNKUWKITKKR-CQSZACIVSA-N 2 2 328.457 0.056 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000330139860 437460402 /nfs/dbraw/zinc/46/04/02/437460402.db2.gz PDOHNYQNOANHNF-CYBMUJFWSA-N 2 2 325.457 0.089 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000330139860 437460404 /nfs/dbraw/zinc/46/04/04/437460404.db2.gz PDOHNYQNOANHNF-CYBMUJFWSA-N 2 2 325.457 0.089 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000377476048 438310342 /nfs/dbraw/zinc/31/03/42/438310342.db2.gz HOXILCACRVIKPA-QGZVFWFLSA-N 2 2 346.475 0.097 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369359607 438460141 /nfs/dbraw/zinc/46/01/41/438460141.db2.gz RVMQCAKNCWQDOM-LSDHHAIUSA-N 2 2 337.468 0.099 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369359607 438460146 /nfs/dbraw/zinc/46/01/46/438460146.db2.gz RVMQCAKNCWQDOM-LSDHHAIUSA-N 2 2 337.468 0.099 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000579108880 438980528 /nfs/dbraw/zinc/98/05/28/438980528.db2.gz INKWIAXFLXXQIB-OAHLLOKOSA-N 2 2 337.445 0.378 20 30 ECEDLP N#Cc1c(F)cccc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000602006337 438997020 /nfs/dbraw/zinc/99/70/20/438997020.db2.gz JXLUYKFHTFTVJA-OAHLLOKOSA-N 2 2 346.406 0.720 20 30 ECEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000602607916 439116589 /nfs/dbraw/zinc/11/65/89/439116589.db2.gz AEXFXKSSGPQPHE-INIZCTEOSA-N 2 2 330.436 0.575 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@](O)(CC#N)C3)C2)CC1 ZINC000591960050 439122970 /nfs/dbraw/zinc/12/29/70/439122970.db2.gz RPKMCLMPCBIXLG-WMLDXEAASA-N 2 2 335.452 0.215 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@](O)(CC#N)C3)C2)CC1 ZINC000591960050 439122976 /nfs/dbraw/zinc/12/29/76/439122976.db2.gz RPKMCLMPCBIXLG-WMLDXEAASA-N 2 2 335.452 0.215 20 30 ECEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC3(C#N)CCC3)C2)CC1 ZINC000527127963 439255948 /nfs/dbraw/zinc/25/59/48/439255948.db2.gz HWTKZMHMUAHGBY-MRXNPFEDSA-N 2 2 333.480 0.649 20 30 ECEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)CC1 ZINC000527127963 439255954 /nfs/dbraw/zinc/25/59/54/439255954.db2.gz HWTKZMHMUAHGBY-MRXNPFEDSA-N 2 2 333.480 0.649 20 30 ECEDLP C[NH+](C)CCN1CC[N@H+](CCC(=O)Nc2sccc2C#N)CC1=O ZINC000593051626 439335654 /nfs/dbraw/zinc/33/56/54/439335654.db2.gz LSTKDMPZDWIWKN-UHFFFAOYSA-N 2 2 349.460 0.654 20 30 ECEDLP C[NH+](C)CCN1CC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1=O ZINC000593051626 439335660 /nfs/dbraw/zinc/33/56/60/439335660.db2.gz LSTKDMPZDWIWKN-UHFFFAOYSA-N 2 2 349.460 0.654 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)CC1 ZINC000490818775 439300226 /nfs/dbraw/zinc/30/02/26/439300226.db2.gz BDVHAPKWNJPQFF-GOSISDBHSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000491296706 439362041 /nfs/dbraw/zinc/36/20/41/439362041.db2.gz MWBVOZSDDRLKJT-HNNXBMFYSA-N 2 2 337.464 0.673 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000491296706 439362042 /nfs/dbraw/zinc/36/20/42/439362042.db2.gz MWBVOZSDDRLKJT-HNNXBMFYSA-N 2 2 337.464 0.673 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CON=C(N)C[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000491210525 439350731 /nfs/dbraw/zinc/35/07/31/439350731.db2.gz VNRKPWNVLQMNLI-HZPDHXFCSA-N 2 2 349.479 0.525 20 30 ECEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000570038269 439385874 /nfs/dbraw/zinc/38/58/74/439385874.db2.gz ZWQZEWSGMAWZPX-ZWKOTPCHSA-N 2 2 333.476 0.990 20 30 ECEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000570038269 439385879 /nfs/dbraw/zinc/38/58/79/439385879.db2.gz ZWQZEWSGMAWZPX-ZWKOTPCHSA-N 2 2 333.476 0.990 20 30 ECEDLP N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599299058 439423100 /nfs/dbraw/zinc/42/31/00/439423100.db2.gz AGKPNJCZJIZTGR-IRXDYDNUSA-N 2 2 337.464 0.712 20 30 ECEDLP N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599299058 439423107 /nfs/dbraw/zinc/42/31/07/439423107.db2.gz AGKPNJCZJIZTGR-IRXDYDNUSA-N 2 2 337.464 0.712 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000491704313 439431219 /nfs/dbraw/zinc/43/12/19/439431219.db2.gz IMTGNWHYBBMPNR-QGZVFWFLSA-N 2 2 343.475 0.623 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000491704313 439431220 /nfs/dbraw/zinc/43/12/20/439431220.db2.gz IMTGNWHYBBMPNR-QGZVFWFLSA-N 2 2 343.475 0.623 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491714645 439432679 /nfs/dbraw/zinc/43/26/79/439432679.db2.gz GZLCFGBZOXOCSK-OCCSQVGLSA-N 2 2 333.354 0.009 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491714645 439432683 /nfs/dbraw/zinc/43/26/83/439432683.db2.gz GZLCFGBZOXOCSK-OCCSQVGLSA-N 2 2 333.354 0.009 20 30 ECEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000609537709 439576251 /nfs/dbraw/zinc/57/62/51/439576251.db2.gz CVUSQZMFTUQKQE-IAGOWNOFSA-N 2 2 335.496 0.705 20 30 ECEDLP C[C@@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000584585880 439603004 /nfs/dbraw/zinc/60/30/04/439603004.db2.gz BMKTUMOBZDNASW-RDJZCZTQSA-N 2 2 333.432 0.856 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cccc(CC#N)c1 ZINC000594821986 439621448 /nfs/dbraw/zinc/62/14/48/439621448.db2.gz RKSBMXXVEPEZGK-UHFFFAOYSA-N 2 2 338.477 0.914 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cccc(CC#N)c1 ZINC000594821986 439621451 /nfs/dbraw/zinc/62/14/51/439621451.db2.gz RKSBMXXVEPEZGK-UHFFFAOYSA-N 2 2 338.477 0.914 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000594822680 439621699 /nfs/dbraw/zinc/62/16/99/439621699.db2.gz YOKMKOOOBOAGJO-UHFFFAOYSA-N 2 2 342.440 0.859 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000594822680 439621702 /nfs/dbraw/zinc/62/17/02/439621702.db2.gz YOKMKOOOBOAGJO-UHFFFAOYSA-N 2 2 342.440 0.859 20 30 ECEDLP C[C@H](C[NH2+]C[C@H](O)COc1ccccc1C#N)C[NH+]1CCOCC1 ZINC000600726342 439695560 /nfs/dbraw/zinc/69/55/60/439695560.db2.gz SMBNEMUCUBOSGN-WBVHZDCISA-N 2 2 333.432 0.856 20 30 ECEDLP C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1C#N)C[NH+]1CCOCC1 ZINC000600726337 439695951 /nfs/dbraw/zinc/69/59/51/439695951.db2.gz SMBNEMUCUBOSGN-DOTOQJQBSA-N 2 2 333.432 0.856 20 30 ECEDLP C=CC[NH+]1CCC(NS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000631908814 439970010 /nfs/dbraw/zinc/97/00/10/439970010.db2.gz AWZDKHHIBKWIIK-UHFFFAOYSA-N 2 2 344.525 0.194 20 30 ECEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C(C)C ZINC000638069300 440421185 /nfs/dbraw/zinc/42/11/85/440421185.db2.gz NVPWCMZAKIMGCE-CVEARBPZSA-N 2 2 336.480 0.622 20 30 ECEDLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078005889 782118708 /nfs/dbraw/zinc/11/87/08/782118708.db2.gz LZSDFWWKPCVZKT-GUDVDZBRSA-N 2 2 341.455 0.541 20 30 ECEDLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078005889 782118711 /nfs/dbraw/zinc/11/87/11/782118711.db2.gz LZSDFWWKPCVZKT-GUDVDZBRSA-N 2 2 341.455 0.541 20 30 ECEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078005889 782118716 /nfs/dbraw/zinc/11/87/16/782118716.db2.gz LZSDFWWKPCVZKT-GUDVDZBRSA-N 2 2 341.455 0.541 20 30 ECEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078005889 782118721 /nfs/dbraw/zinc/11/87/21/782118721.db2.gz LZSDFWWKPCVZKT-GUDVDZBRSA-N 2 2 341.455 0.541 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000329503611 546026266 /nfs/dbraw/zinc/02/62/66/546026266.db2.gz ZBMRXQWNVYYFEG-HZPDHXFCSA-N 2 2 325.501 0.856 20 30 ECEDLP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000329503611 546026269 /nfs/dbraw/zinc/02/62/69/546026269.db2.gz ZBMRXQWNVYYFEG-HZPDHXFCSA-N 2 2 325.501 0.856 20 30 ECEDLP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC000329503611 546026273 /nfs/dbraw/zinc/02/62/73/546026273.db2.gz ZBMRXQWNVYYFEG-HZPDHXFCSA-N 2 2 325.501 0.856 20 30 ECEDLP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC000329503611 546026276 /nfs/dbraw/zinc/02/62/76/546026276.db2.gz ZBMRXQWNVYYFEG-HZPDHXFCSA-N 2 2 325.501 0.856 20 30 ECEDLP C=CCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675101018 548708506 /nfs/dbraw/zinc/70/85/06/548708506.db2.gz NAHWPYKQSIOPFW-INIZCTEOSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675101018 548708509 /nfs/dbraw/zinc/70/85/09/548708509.db2.gz NAHWPYKQSIOPFW-INIZCTEOSA-N 2 2 336.480 0.696 20 30 ECEDLP C#CCC[NH+]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000764816098 579580346 /nfs/dbraw/zinc/58/03/46/579580346.db2.gz JDQFXJBWRZORKA-INIZCTEOSA-N 2 2 329.448 0.973 20 30 ECEDLP C[NH+]1CCC([NH2+]Cc2cn(C[C@@H](O)CC3(C#N)CCC3)nn2)CC1 ZINC000900581062 586643677 /nfs/dbraw/zinc/64/36/77/586643677.db2.gz NUPOLCWAGFEYAR-INIZCTEOSA-N 2 2 332.452 0.907 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000900585319 586647897 /nfs/dbraw/zinc/64/78/97/586647897.db2.gz MOPPGZUEJRIAIO-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000900585319 586647899 /nfs/dbraw/zinc/64/78/99/586647899.db2.gz MOPPGZUEJRIAIO-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900585319 586647901 /nfs/dbraw/zinc/64/79/01/586647901.db2.gz MOPPGZUEJRIAIO-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900585319 586647903 /nfs/dbraw/zinc/64/79/03/586647903.db2.gz MOPPGZUEJRIAIO-IRXDYDNUSA-N 2 2 346.475 0.287 20 30 ECEDLP Cc1nn(C)c(N2CCOCC2)c1C=[NH+]NCCCn1cc[nH+]c1 ZINC000848418860 589292822 /nfs/dbraw/zinc/29/28/22/589292822.db2.gz QHTDDKSZMUKGSK-UHFFFAOYSA-N 2 2 331.424 0.775 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000111661447 589561891 /nfs/dbraw/zinc/56/18/91/589561891.db2.gz QGKFQGXTRCDWLH-LJQANCHMSA-N 2 2 340.471 0.753 20 30 ECEDLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876723775 590403853 /nfs/dbraw/zinc/40/38/53/590403853.db2.gz HDGGIAXPQFJQDM-SUMWQHHRSA-N 2 2 328.416 0.582 20 30 ECEDLP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C[NH+]1CCOCC1 ZINC000876747224 590408038 /nfs/dbraw/zinc/40/80/38/590408038.db2.gz YPZJCMIRMCXZGK-KBXCAEBGSA-N 2 2 342.443 0.830 20 30 ECEDLP C[C@H](NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H](C)[NH+]1CCOCC1 ZINC000876756396 590409469 /nfs/dbraw/zinc/40/94/69/590409469.db2.gz TWJNUBFLPQSMGY-DEYYWGMASA-N 2 2 342.443 0.970 20 30 ECEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876783576 590415252 /nfs/dbraw/zinc/41/52/52/590415252.db2.gz HGLDGEPSNUCXQK-NVXWUHKLSA-N 2 2 327.432 0.107 20 30 ECEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876783576 590415255 /nfs/dbraw/zinc/41/52/55/590415255.db2.gz HGLDGEPSNUCXQK-NVXWUHKLSA-N 2 2 327.432 0.107 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163350 590759226 /nfs/dbraw/zinc/75/92/26/590759226.db2.gz DHPSLQYKYMEPEU-IRXDYDNUSA-N 3 2 347.507 0.552 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163350 590759230 /nfs/dbraw/zinc/75/92/30/590759230.db2.gz DHPSLQYKYMEPEU-IRXDYDNUSA-N 3 2 347.507 0.552 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163350 590759233 /nfs/dbraw/zinc/75/92/33/590759233.db2.gz DHPSLQYKYMEPEU-IRXDYDNUSA-N 3 2 347.507 0.552 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163350 590759237 /nfs/dbraw/zinc/75/92/37/590759237.db2.gz DHPSLQYKYMEPEU-IRXDYDNUSA-N 3 2 347.507 0.552 20 30 ECEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC000884176628 590762437 /nfs/dbraw/zinc/76/24/37/590762437.db2.gz KDIYGGNZXCWHSK-CSLYMUCUSA-N 2 2 325.416 0.870 20 30 ECEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000884305342 590799806 /nfs/dbraw/zinc/79/98/06/590799806.db2.gz TUCIBHQMRABXMB-TVRKMHQQSA-N 2 2 339.443 0.865 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000884433468 590827383 /nfs/dbraw/zinc/82/73/83/590827383.db2.gz JYDKZQRZMNIZCP-MXWKQRLJSA-N 2 2 337.342 0.419 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)CC1 ZINC000886799316 590884443 /nfs/dbraw/zinc/88/44/43/590884443.db2.gz PNVYGVNPIFFDDK-AWEZNQCLSA-N 2 2 333.354 0.011 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)CC1 ZINC000886799316 590884444 /nfs/dbraw/zinc/88/44/44/590884444.db2.gz PNVYGVNPIFFDDK-AWEZNQCLSA-N 2 2 333.354 0.011 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000887666082 590989012 /nfs/dbraw/zinc/98/90/12/590989012.db2.gz DUYHUSXDDXZRQQ-MRXNPFEDSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000887666082 590989014 /nfs/dbraw/zinc/98/90/14/590989014.db2.gz DUYHUSXDDXZRQQ-MRXNPFEDSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)C1 ZINC000887666082 590989017 /nfs/dbraw/zinc/98/90/17/590989017.db2.gz DUYHUSXDDXZRQQ-MRXNPFEDSA-N 2 2 335.496 0.409 20 30 ECEDLP CCCCC(N)=[NH+]OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000178148943 608949293 /nfs/dbraw/zinc/94/92/93/608949293.db2.gz VNFKSGDLOMHDOM-CQSZACIVSA-N 2 2 328.457 0.938 20 30 ECEDLP C#CCN(C(=O)N[C@H](CC)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000925612666 609128984 /nfs/dbraw/zinc/12/89/84/609128984.db2.gz SUHOSDCNZXCADS-MRXNPFEDSA-N 2 2 336.480 0.836 20 30 ECEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H](CC(N)=O)C1 ZINC000153682408 609919181 /nfs/dbraw/zinc/91/91/81/609919181.db2.gz GJUKUNILYTZIDD-AWEZNQCLSA-N 2 2 346.479 0.925 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941432521 610312804 /nfs/dbraw/zinc/31/28/04/610312804.db2.gz CLWOQIAZDPLLEI-GOSISDBHSA-N 2 2 346.519 0.816 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC000941432521 610312806 /nfs/dbraw/zinc/31/28/06/610312806.db2.gz CLWOQIAZDPLLEI-GOSISDBHSA-N 2 2 346.519 0.816 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941533890 610365152 /nfs/dbraw/zinc/36/51/52/610365152.db2.gz JKJDCVCKDHPMKX-IRXDYDNUSA-N 2 2 332.492 0.568 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941533890 610365154 /nfs/dbraw/zinc/36/51/54/610365154.db2.gz JKJDCVCKDHPMKX-IRXDYDNUSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000941636831 610422807 /nfs/dbraw/zinc/42/28/07/610422807.db2.gz VVBXIGACHHNHSH-DLBZAZTESA-N 2 2 332.492 0.568 20 30 ECEDLP CC#CC[N@H+](CCO)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001098532845 733053149 /nfs/dbraw/zinc/05/31/49/733053149.db2.gz HFUCREOYVFZNNA-UHFFFAOYSA-N 2 2 332.448 0.996 20 30 ECEDLP CC#CC[N@@H+](CCO)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001098532845 733053151 /nfs/dbraw/zinc/05/31/51/733053151.db2.gz HFUCREOYVFZNNA-UHFFFAOYSA-N 2 2 332.448 0.996 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)o3)C2)CC1 ZINC000970792729 733943459 /nfs/dbraw/zinc/94/34/59/733943459.db2.gz SZUYMEYBSIDQMF-OAHLLOKOSA-N 2 2 331.420 0.414 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NC3CC3)C2)CC1 ZINC000970925405 734093194 /nfs/dbraw/zinc/09/31/94/734093194.db2.gz PZKKXTCCJYNGBS-AWEZNQCLSA-N 2 2 346.475 0.047 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC000971434500 734587733 /nfs/dbraw/zinc/58/77/33/734587733.db2.gz YCZXMILGUWNKGN-GJZGRUSLSA-N 2 2 345.447 0.662 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC000971434500 734587735 /nfs/dbraw/zinc/58/77/35/734587735.db2.gz YCZXMILGUWNKGN-GJZGRUSLSA-N 2 2 345.447 0.662 20 30 ECEDLP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972315987 735934495 /nfs/dbraw/zinc/93/44/95/735934495.db2.gz KNGHCCQPBGFGDF-SJLPKXTDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972315987 735934497 /nfs/dbraw/zinc/93/44/97/735934497.db2.gz KNGHCCQPBGFGDF-SJLPKXTDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315987 735934499 /nfs/dbraw/zinc/93/44/99/735934499.db2.gz KNGHCCQPBGFGDF-SJLPKXTDSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315987 735934500 /nfs/dbraw/zinc/93/45/00/735934500.db2.gz KNGHCCQPBGFGDF-SJLPKXTDSA-N 2 2 337.464 0.587 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nc(C)no2)C1 ZINC001024021821 737626593 /nfs/dbraw/zinc/62/65/93/737626593.db2.gz JTNCCEWEZDKBND-HOTGVXAUSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nc(C)no2)C1 ZINC001024021821 737626599 /nfs/dbraw/zinc/62/65/99/737626599.db2.gz JTNCCEWEZDKBND-HOTGVXAUSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC001105240588 741533925 /nfs/dbraw/zinc/53/39/25/741533925.db2.gz SSJGAZWYPLEHBD-INIZCTEOSA-N 2 2 330.436 0.257 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105240588 741533927 /nfs/dbraw/zinc/53/39/27/741533927.db2.gz SSJGAZWYPLEHBD-INIZCTEOSA-N 2 2 330.436 0.257 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242785 741543369 /nfs/dbraw/zinc/54/33/69/741543369.db2.gz HRBLTCSLVAZCMS-QGZVFWFLSA-N 2 2 342.447 0.116 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105264391 741595385 /nfs/dbraw/zinc/59/53/85/741595385.db2.gz HHFPFXYWMSAMMR-INIZCTEOSA-N 2 2 344.463 0.649 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001105264391 741595387 /nfs/dbraw/zinc/59/53/87/741595387.db2.gz HHFPFXYWMSAMMR-INIZCTEOSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001105294715 741665300 /nfs/dbraw/zinc/66/53/00/741665300.db2.gz CHDOBBPMUQEKBX-UHFFFAOYSA-N 2 2 327.392 0.061 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)nn1 ZINC001105337090 742428278 /nfs/dbraw/zinc/42/82/78/742428278.db2.gz RSDPSPAQLVZYTG-CYBMUJFWSA-N 2 2 329.408 0.785 20 30 ECEDLP C#CCN1CC[NH+](C2CCC(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000996801259 742889006 /nfs/dbraw/zinc/88/90/06/742889006.db2.gz GFESETYXEGXXKG-UHFFFAOYSA-N 2 2 329.448 0.561 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1=O ZINC000997181289 743322497 /nfs/dbraw/zinc/32/24/97/743322497.db2.gz YONDEKNLMZRFEU-INIZCTEOSA-N 2 2 345.447 0.330 20 30 ECEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)CCCn3cc[nH+]c3)C2)nn1 ZINC001105380660 743383129 /nfs/dbraw/zinc/38/31/29/743383129.db2.gz DKBWSLBEMKCCDR-UHFFFAOYSA-N 2 2 341.419 0.451 20 30 ECEDLP C=CCC[NH2+]Cc1cn(C2CN(C(=O)Cc3c[nH+]cn3C)C2)nn1 ZINC001105361306 752122902 /nfs/dbraw/zinc/12/29/02/752122902.db2.gz VPMUWVYJGCKHMS-UHFFFAOYSA-N 2 2 329.408 0.303 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001098722510 747675092 /nfs/dbraw/zinc/67/50/92/747675092.db2.gz NNTMGOMEPQDKLE-KRWDZBQOSA-N 2 2 344.463 0.506 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)o3)[C@H]2C)CC1 ZINC000987577361 750979173 /nfs/dbraw/zinc/97/91/73/750979173.db2.gz UINUEWBWFKSQLJ-CJNGLKHVSA-N 2 2 345.447 0.802 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@@H](CC)C(N)=O)C2 ZINC000981819062 751135619 /nfs/dbraw/zinc/13/56/19/751135619.db2.gz LNICTDWPCWKCNJ-HOTGVXAUSA-N 2 2 346.475 0.272 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H](CC)C(N)=O)C2 ZINC000981819062 751135624 /nfs/dbraw/zinc/13/56/24/751135624.db2.gz LNICTDWPCWKCNJ-HOTGVXAUSA-N 2 2 346.475 0.272 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@@H](CC)C(N)=O)C2 ZINC000981819062 751135628 /nfs/dbraw/zinc/13/56/28/751135628.db2.gz LNICTDWPCWKCNJ-HOTGVXAUSA-N 2 2 346.475 0.272 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@@H](CC)C(N)=O)C2 ZINC000981819062 751135631 /nfs/dbraw/zinc/13/56/31/751135631.db2.gz LNICTDWPCWKCNJ-HOTGVXAUSA-N 2 2 346.475 0.272 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)nn1 ZINC001105363047 752324535 /nfs/dbraw/zinc/32/45/35/752324535.db2.gz PBHNYHVQFJBSLE-ZBFHGGJFSA-N 2 2 344.463 0.505 20 30 ECEDLP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC001105366259 752461647 /nfs/dbraw/zinc/46/16/47/752461647.db2.gz FIEHFDUWTPSWHU-UHFFFAOYSA-N 2 2 343.435 0.991 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC001007519738 752476649 /nfs/dbraw/zinc/47/66/49/752476649.db2.gz VBUOMFOXBPCRDZ-IRXDYDNUSA-N 2 2 329.448 0.561 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCn2cccn2)C1 ZINC001007519738 752476655 /nfs/dbraw/zinc/47/66/55/752476655.db2.gz VBUOMFOXBPCRDZ-IRXDYDNUSA-N 2 2 329.448 0.561 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCn2cccn2)C1 ZINC001007519738 752476660 /nfs/dbraw/zinc/47/66/60/752476660.db2.gz VBUOMFOXBPCRDZ-IRXDYDNUSA-N 2 2 329.448 0.561 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCn2cccn2)C1 ZINC001007519738 752476666 /nfs/dbraw/zinc/47/66/66/752476666.db2.gz VBUOMFOXBPCRDZ-IRXDYDNUSA-N 2 2 329.448 0.561 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001007952618 753121791 /nfs/dbraw/zinc/12/17/91/753121791.db2.gz MYTCNJOXZUQSIH-HOTGVXAUSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001007952618 753121793 /nfs/dbraw/zinc/12/17/93/753121793.db2.gz MYTCNJOXZUQSIH-HOTGVXAUSA-N 2 2 345.447 0.559 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2cccn2)[C@@H]1C ZINC001088631354 753431517 /nfs/dbraw/zinc/43/15/17/753431517.db2.gz GSSNADWAQKDZQZ-IKGGRYGDSA-N 2 2 329.448 0.560 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cccn2)[C@@H]1C ZINC001088631354 753431521 /nfs/dbraw/zinc/43/15/21/753431521.db2.gz GSSNADWAQKDZQZ-IKGGRYGDSA-N 2 2 329.448 0.560 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2cccn2)[C@@H]1C ZINC001088631354 753431525 /nfs/dbraw/zinc/43/15/25/753431525.db2.gz GSSNADWAQKDZQZ-IKGGRYGDSA-N 2 2 329.448 0.560 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2cccn2)[C@@H]1C ZINC001088631354 753431531 /nfs/dbraw/zinc/43/15/31/753431531.db2.gz GSSNADWAQKDZQZ-IKGGRYGDSA-N 2 2 329.448 0.560 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+]([C@@H](C)C(=O)NC)CC2)CC1 ZINC000989734917 754367176 /nfs/dbraw/zinc/36/71/76/754367176.db2.gz KIUPYBVZKVBODA-HNNXBMFYSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+]([C@@H](C)C(=O)NC)CC2)CC1 ZINC000989734917 754367182 /nfs/dbraw/zinc/36/71/82/754367182.db2.gz KIUPYBVZKVBODA-HNNXBMFYSA-N 2 2 334.464 0.000 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428016 756125389 /nfs/dbraw/zinc/12/53/89/756125389.db2.gz OLKDHPQFODTMJE-DLBZAZTESA-N 2 2 328.416 0.579 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428016 756125394 /nfs/dbraw/zinc/12/53/94/756125394.db2.gz OLKDHPQFODTMJE-DLBZAZTESA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428016 756125398 /nfs/dbraw/zinc/12/53/98/756125398.db2.gz OLKDHPQFODTMJE-DLBZAZTESA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428016 756125400 /nfs/dbraw/zinc/12/54/00/756125400.db2.gz OLKDHPQFODTMJE-DLBZAZTESA-N 2 2 328.416 0.579 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nonc3C)C[C@@H]2C1 ZINC001048868979 757234873 /nfs/dbraw/zinc/23/48/73/757234873.db2.gz RSMRUWBUUGSQHI-UXLLHSPISA-N 2 2 343.431 0.366 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nonc3C)C[C@@H]2C1 ZINC001048868979 757234880 /nfs/dbraw/zinc/23/48/80/757234880.db2.gz RSMRUWBUUGSQHI-UXLLHSPISA-N 2 2 343.431 0.366 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nonc3C)C[C@@H]2C1 ZINC001048868979 757234887 /nfs/dbraw/zinc/23/48/87/757234887.db2.gz RSMRUWBUUGSQHI-UXLLHSPISA-N 2 2 343.431 0.366 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nonc3C)C[C@@H]2C1 ZINC001048868979 757234891 /nfs/dbraw/zinc/23/48/91/757234891.db2.gz RSMRUWBUUGSQHI-UXLLHSPISA-N 2 2 343.431 0.366 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001021928149 758075069 /nfs/dbraw/zinc/07/50/69/758075069.db2.gz NCZJIULEMUMWDX-BBWFWOEESA-N 2 2 328.416 0.626 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001021928149 758075082 /nfs/dbraw/zinc/07/50/82/758075082.db2.gz NCZJIULEMUMWDX-BBWFWOEESA-N 2 2 328.416 0.626 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1=O ZINC000996650465 758307500 /nfs/dbraw/zinc/30/75/00/758307500.db2.gz IUXSOODECXDYNX-INIZCTEOSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1=O ZINC000996650465 758307509 /nfs/dbraw/zinc/30/75/09/758307509.db2.gz IUXSOODECXDYNX-INIZCTEOSA-N 2 2 345.447 0.710 20 30 ECEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@H]2C1 ZINC001049226687 758381689 /nfs/dbraw/zinc/38/16/89/758381689.db2.gz QDINDKWNDBITSG-FGTMMUONSA-N 2 2 331.460 0.511 20 30 ECEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@H]2C1 ZINC001049226687 758381698 /nfs/dbraw/zinc/38/16/98/758381698.db2.gz QDINDKWNDBITSG-FGTMMUONSA-N 2 2 331.460 0.511 20 30 ECEDLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077237636 758572824 /nfs/dbraw/zinc/57/28/24/758572824.db2.gz NRDGNSZVCXSJBI-KZNAEPCWSA-N 2 2 342.443 0.704 20 30 ECEDLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077237636 758572828 /nfs/dbraw/zinc/57/28/28/758572828.db2.gz NRDGNSZVCXSJBI-KZNAEPCWSA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077237636 758572834 /nfs/dbraw/zinc/57/28/34/758572834.db2.gz NRDGNSZVCXSJBI-KZNAEPCWSA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077237636 758572841 /nfs/dbraw/zinc/57/28/41/758572841.db2.gz NRDGNSZVCXSJBI-KZNAEPCWSA-N 2 2 342.443 0.704 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001050237084 760024024 /nfs/dbraw/zinc/02/40/24/760024024.db2.gz TYTHNXNSHHCTGX-HUUCEWRRSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1 ZINC000995923134 760783519 /nfs/dbraw/zinc/78/35/19/760783519.db2.gz LVXHTVCCLVPZSU-DLBZAZTESA-N 2 2 343.475 0.844 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1 ZINC000995923134 760783522 /nfs/dbraw/zinc/78/35/22/760783522.db2.gz LVXHTVCCLVPZSU-DLBZAZTESA-N 2 2 343.475 0.844 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cnn(CC)c2)C1 ZINC001014777248 763136555 /nfs/dbraw/zinc/13/65/55/763136555.db2.gz VVYDJRWHWJNUBS-ROUUACIJSA-N 2 2 343.475 0.734 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001014777248 763136562 /nfs/dbraw/zinc/13/65/62/763136562.db2.gz VVYDJRWHWJNUBS-ROUUACIJSA-N 2 2 343.475 0.734 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001014777248 763136564 /nfs/dbraw/zinc/13/65/64/763136564.db2.gz VVYDJRWHWJNUBS-ROUUACIJSA-N 2 2 343.475 0.734 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2cnn(CC)c2)C1 ZINC001014777248 763136571 /nfs/dbraw/zinc/13/65/71/763136571.db2.gz VVYDJRWHWJNUBS-ROUUACIJSA-N 2 2 343.475 0.734 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052026251 763618225 /nfs/dbraw/zinc/61/82/25/763618225.db2.gz COWCPWHBFAIJLI-ROUUACIJSA-N 2 2 330.476 0.180 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001052035235 763640534 /nfs/dbraw/zinc/64/05/34/763640534.db2.gz FGYQJDAKWLSISG-MSOLQXFVSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001052035235 763640536 /nfs/dbraw/zinc/64/05/36/763640536.db2.gz FGYQJDAKWLSISG-MSOLQXFVSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001052035235 763640540 /nfs/dbraw/zinc/64/05/40/763640540.db2.gz FGYQJDAKWLSISG-MSOLQXFVSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001052035235 763640545 /nfs/dbraw/zinc/64/05/45/763640545.db2.gz FGYQJDAKWLSISG-MSOLQXFVSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107971 763888209 /nfs/dbraw/zinc/88/82/09/763888209.db2.gz JFNDZXBRYMEJSN-ROUUACIJSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107971 763888221 /nfs/dbraw/zinc/88/82/21/763888221.db2.gz JFNDZXBRYMEJSN-ROUUACIJSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001052119347 763936642 /nfs/dbraw/zinc/93/66/42/763936642.db2.gz PLCLELBHHUFJKA-OALUTQOASA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001052119347 763936643 /nfs/dbraw/zinc/93/66/43/763936643.db2.gz PLCLELBHHUFJKA-OALUTQOASA-N 2 2 346.519 0.959 20 30 ECEDLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306520 766084290 /nfs/dbraw/zinc/08/42/90/766084290.db2.gz PPSFOMKNIBCOQH-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306520 766084301 /nfs/dbraw/zinc/08/43/01/766084301.db2.gz PPSFOMKNIBCOQH-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306520 766084306 /nfs/dbraw/zinc/08/43/06/766084306.db2.gz PPSFOMKNIBCOQH-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016306520 766084310 /nfs/dbraw/zinc/08/43/10/766084310.db2.gz PPSFOMKNIBCOQH-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)no3)C2)CC1 ZINC001016337604 766145293 /nfs/dbraw/zinc/14/52/93/766145293.db2.gz SDFJIEJGKBTYPL-HNNXBMFYSA-N 2 2 346.431 0.719 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)no3)C2)CC1 ZINC001016337604 766145298 /nfs/dbraw/zinc/14/52/98/766145298.db2.gz SDFJIEJGKBTYPL-HNNXBMFYSA-N 2 2 346.431 0.719 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)O2 ZINC001053638993 766494643 /nfs/dbraw/zinc/49/46/43/766494643.db2.gz FTUWOQHKSMVHSZ-NDUQDZPOSA-N 2 2 347.459 0.385 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)O2 ZINC001053638993 766494646 /nfs/dbraw/zinc/49/46/46/766494646.db2.gz FTUWOQHKSMVHSZ-NDUQDZPOSA-N 2 2 347.459 0.385 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001046076658 766903958 /nfs/dbraw/zinc/90/39/58/766903958.db2.gz OFFHHMUPVVARJG-MRXNPFEDSA-N 2 2 343.475 0.929 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001046076658 766903960 /nfs/dbraw/zinc/90/39/60/766903960.db2.gz OFFHHMUPVVARJG-MRXNPFEDSA-N 2 2 343.475 0.929 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001020250833 772351325 /nfs/dbraw/zinc/35/13/25/772351325.db2.gz UDAUJGMBLCIYFK-IHRRRGAJSA-N 2 2 331.420 0.466 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001020250833 772351331 /nfs/dbraw/zinc/35/13/31/772351331.db2.gz UDAUJGMBLCIYFK-IHRRRGAJSA-N 2 2 331.420 0.466 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071218344 784762343 /nfs/dbraw/zinc/76/23/43/784762343.db2.gz MGPWKUIFNPUWOL-PKOBYXMFSA-N 2 2 349.475 0.424 20 30 ECEDLP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071218344 784762348 /nfs/dbraw/zinc/76/23/48/784762348.db2.gz MGPWKUIFNPUWOL-PKOBYXMFSA-N 2 2 349.475 0.424 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664492 786911384 /nfs/dbraw/zinc/91/13/84/786911384.db2.gz HPRBXRGWDFNEEQ-RDJZCZTQSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664492 786911392 /nfs/dbraw/zinc/91/13/92/786911392.db2.gz HPRBXRGWDFNEEQ-RDJZCZTQSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001073665310 786914417 /nfs/dbraw/zinc/91/44/17/786914417.db2.gz WSOMWSQKAJCADL-HZPDHXFCSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001073665310 786914426 /nfs/dbraw/zinc/91/44/26/786914426.db2.gz WSOMWSQKAJCADL-HZPDHXFCSA-N 2 2 330.432 0.676 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001266320932 835692985 /nfs/dbraw/zinc/69/29/85/835692985.db2.gz JBALOAFCXSWXGY-CABCVRRESA-N 2 2 347.463 0.889 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001266320932 835692990 /nfs/dbraw/zinc/69/29/90/835692990.db2.gz JBALOAFCXSWXGY-CABCVRRESA-N 2 2 347.463 0.889 20 30 ECEDLP COCC#CC[N@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001266592644 836023266 /nfs/dbraw/zinc/02/32/66/836023266.db2.gz XJADEDGIJXQFKI-UHFFFAOYSA-N 2 2 344.459 0.992 20 30 ECEDLP COCC#CC[N@@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001266592644 836023280 /nfs/dbraw/zinc/02/32/80/836023280.db2.gz XJADEDGIJXQFKI-UHFFFAOYSA-N 2 2 344.459 0.992 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc2n(n1)CCC2 ZINC001266949717 836515048 /nfs/dbraw/zinc/51/50/48/836515048.db2.gz KSHKOSKBZJDNPN-PBHICJAKSA-N 2 2 329.448 0.521 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc2n(n1)CCC2 ZINC001266949717 836515057 /nfs/dbraw/zinc/51/50/57/836515057.db2.gz KSHKOSKBZJDNPN-PBHICJAKSA-N 2 2 329.448 0.521 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001267047390 836676627 /nfs/dbraw/zinc/67/66/27/836676627.db2.gz MZTXAVYROYTQON-CQSZACIVSA-N 2 2 346.431 0.373 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001267208741 836993850 /nfs/dbraw/zinc/99/38/50/836993850.db2.gz WJBZJPAJINZUQB-KGLIPLIRSA-N 2 2 347.463 0.860 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001267922114 838797389 /nfs/dbraw/zinc/79/73/89/838797389.db2.gz URCPHYXJHFFOLA-HNNXBMFYSA-N 2 2 345.447 0.239 20 30 ECEDLP Cc1nc2n(n1)CCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C2 ZINC000328885393 282107349 /nfs/dbraw/zinc/10/73/49/282107349.db2.gz NJGBDYFALYXQIH-UHFFFAOYSA-N 2 2 335.456 0.342 20 30 ECEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC(=O)NCC#N)[C@@H]1c1cnn(C)c1 ZINC000434729335 285227656 /nfs/dbraw/zinc/22/76/56/285227656.db2.gz MDNACRIABRNFEW-WMLDXEAASA-N 2 2 332.452 0.765 20 30 ECEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC(=O)NCC#N)[C@@H]1c1cnn(C)c1 ZINC000434729335 285227659 /nfs/dbraw/zinc/22/76/59/285227659.db2.gz MDNACRIABRNFEW-WMLDXEAASA-N 2 2 332.452 0.765 20 30 ECEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC(=O)NCC#N)[C@@H]1c1cnn(C)c1 ZINC000434729335 285227662 /nfs/dbraw/zinc/22/76/62/285227662.db2.gz MDNACRIABRNFEW-WMLDXEAASA-N 2 2 332.452 0.765 20 30 ECEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC(=O)NCC#N)[C@@H]1c1cnn(C)c1 ZINC000434729335 285227664 /nfs/dbraw/zinc/22/76/64/285227664.db2.gz MDNACRIABRNFEW-WMLDXEAASA-N 2 2 332.452 0.765 20 30 ECEDLP C#CCC[NH+]1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000091480523 436450103 /nfs/dbraw/zinc/45/01/03/436450103.db2.gz CQMNGIFKTCDGOU-MRXNPFEDSA-N 2 2 329.448 0.831 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000156637943 436818820 /nfs/dbraw/zinc/81/88/20/436818820.db2.gz KWLGXZUDHSUJIM-MRXNPFEDSA-N 2 2 349.475 0.818 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000156637943 436818822 /nfs/dbraw/zinc/81/88/22/436818822.db2.gz KWLGXZUDHSUJIM-MRXNPFEDSA-N 2 2 349.475 0.818 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000129436177 436826472 /nfs/dbraw/zinc/82/64/72/436826472.db2.gz LJLBIFWNZZFJAK-SJORKVTESA-N 2 2 329.448 0.543 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000129436177 436826475 /nfs/dbraw/zinc/82/64/75/436826475.db2.gz LJLBIFWNZZFJAK-SJORKVTESA-N 2 2 329.448 0.543 20 30 ECEDLP C[NH+]=C(NCCNC(=O)C1CC1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261947537 436898275 /nfs/dbraw/zinc/89/82/75/436898275.db2.gz GIQZJESKHZDCHM-UKRRQHHQSA-N 2 2 332.452 0.868 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000281404581 436965917 /nfs/dbraw/zinc/96/59/17/436965917.db2.gz XTNWBABTWAKJSO-INIZCTEOSA-N 2 2 344.463 0.447 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000281404581 436965920 /nfs/dbraw/zinc/96/59/20/436965920.db2.gz XTNWBABTWAKJSO-INIZCTEOSA-N 2 2 344.463 0.447 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262785335 436942405 /nfs/dbraw/zinc/94/24/05/436942405.db2.gz MJDKJGFEBHMWHE-CQSZACIVSA-N 3 2 331.468 0.508 20 30 ECEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)N1CCN(c2ncccn2)CC1 ZINC000264091849 437016899 /nfs/dbraw/zinc/01/68/99/437016899.db2.gz LFBLVXAVDMPQCN-UHFFFAOYSA-N 2 2 340.435 0.811 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284053628 437034276 /nfs/dbraw/zinc/03/42/76/437034276.db2.gz QSHPNCNIQLTHSL-UHFFFAOYSA-N 2 2 339.399 0.232 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284053628 437034279 /nfs/dbraw/zinc/03/42/79/437034279.db2.gz QSHPNCNIQLTHSL-UHFFFAOYSA-N 2 2 339.399 0.232 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285434884 437079561 /nfs/dbraw/zinc/07/95/61/437079561.db2.gz KWGVEWBXFRTKAT-SFHVURJKSA-N 2 2 342.487 0.874 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285434884 437079565 /nfs/dbraw/zinc/07/95/65/437079565.db2.gz KWGVEWBXFRTKAT-SFHVURJKSA-N 2 2 342.487 0.874 20 30 ECEDLP N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000178905850 437237329 /nfs/dbraw/zinc/23/73/29/437237329.db2.gz CYPRQZQCCQOZDW-CYBMUJFWSA-N 2 2 334.445 0.642 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C1=O ZINC000328858867 437273377 /nfs/dbraw/zinc/27/33/77/437273377.db2.gz YKYUUTYCRWRQHK-AWEZNQCLSA-N 2 2 330.436 0.452 20 30 ECEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329285957 437345626 /nfs/dbraw/zinc/34/56/26/437345626.db2.gz PBOXHSRNPFYTEN-QLFBSQMISA-N 2 2 326.441 0.026 20 30 ECEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329285957 437345629 /nfs/dbraw/zinc/34/56/29/437345629.db2.gz PBOXHSRNPFYTEN-QLFBSQMISA-N 2 2 326.441 0.026 20 30 ECEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000329409599 437364901 /nfs/dbraw/zinc/36/49/01/437364901.db2.gz AGQRYJFTEMOJDG-GJZGRUSLSA-N 2 2 340.468 0.152 20 30 ECEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000329409599 437364903 /nfs/dbraw/zinc/36/49/03/437364903.db2.gz AGQRYJFTEMOJDG-GJZGRUSLSA-N 2 2 340.468 0.152 20 30 ECEDLP C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1CC(C)(C)O ZINC000329751694 437409813 /nfs/dbraw/zinc/40/98/13/437409813.db2.gz VVBKPSWQWRJEDU-OLZOCXBDSA-N 2 2 335.452 0.958 20 30 ECEDLP C[C@@H]1CN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1CC(C)(C)O ZINC000329751694 437409826 /nfs/dbraw/zinc/40/98/26/437409826.db2.gz VVBKPSWQWRJEDU-OLZOCXBDSA-N 2 2 335.452 0.958 20 30 ECEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330214947 437470252 /nfs/dbraw/zinc/47/02/52/437470252.db2.gz GNWRAMIWHIFCRJ-CYBMUJFWSA-N 2 2 340.472 0.078 20 30 ECEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330214947 437470254 /nfs/dbraw/zinc/47/02/54/437470254.db2.gz GNWRAMIWHIFCRJ-CYBMUJFWSA-N 2 2 340.472 0.078 20 30 ECEDLP CO[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H]1OC ZINC000331128601 437694289 /nfs/dbraw/zinc/69/42/89/437694289.db2.gz SCRPGLICXWXMHC-GASCZTMLSA-N 2 2 328.457 0.272 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193628346 437712526 /nfs/dbraw/zinc/71/25/26/437712526.db2.gz ATMADDDJMCMMGU-BBWFWOEESA-N 2 2 333.480 0.172 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193628346 437712528 /nfs/dbraw/zinc/71/25/28/437712528.db2.gz ATMADDDJMCMMGU-BBWFWOEESA-N 2 2 333.480 0.172 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000193628346 437712529 /nfs/dbraw/zinc/71/25/29/437712529.db2.gz ATMADDDJMCMMGU-BBWFWOEESA-N 2 2 333.480 0.172 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000193628346 437712532 /nfs/dbraw/zinc/71/25/32/437712532.db2.gz ATMADDDJMCMMGU-BBWFWOEESA-N 2 2 333.480 0.172 20 30 ECEDLP CNC(=O)[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000341875428 437916345 /nfs/dbraw/zinc/91/63/45/437916345.db2.gz WCDMYNUNKCYNFU-HZPDHXFCSA-N 2 2 334.464 0.191 20 30 ECEDLP CNC(=O)[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000341875428 437916349 /nfs/dbraw/zinc/91/63/49/437916349.db2.gz WCDMYNUNKCYNFU-HZPDHXFCSA-N 2 2 334.464 0.191 20 30 ECEDLP C[NH+](CC#CC[N@@H+](C)C[C@@H](O)C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000341908112 437922810 /nfs/dbraw/zinc/92/28/10/437922810.db2.gz LVPAYZZHBNSIRW-NXEZZACHSA-N 2 2 336.276 0.700 20 30 ECEDLP C[NH+](CC#CC[N@H+](C)C[C@@H](O)C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000341908112 437922814 /nfs/dbraw/zinc/92/28/14/437922814.db2.gz LVPAYZZHBNSIRW-NXEZZACHSA-N 2 2 336.276 0.700 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451077392 438694902 /nfs/dbraw/zinc/69/49/02/438694902.db2.gz BCBOLULYXYRFPH-UHFFFAOYSA-N 2 2 342.509 0.968 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451077392 438694905 /nfs/dbraw/zinc/69/49/05/438694905.db2.gz BCBOLULYXYRFPH-UHFFFAOYSA-N 2 2 342.509 0.968 20 30 ECEDLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)CC1 ZINC000602854580 439144060 /nfs/dbraw/zinc/14/40/60/439144060.db2.gz CTNRYDGQIPDVMD-HOTGVXAUSA-N 2 2 335.496 0.894 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCSC3(CCOCC3)C2)CC1 ZINC000491021053 439324558 /nfs/dbraw/zinc/32/45/58/439324558.db2.gz KNPKTKKFNIEGMG-UHFFFAOYSA-N 2 2 337.489 0.362 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCSC3(CCOCC3)C2)CC1 ZINC000491021053 439324561 /nfs/dbraw/zinc/32/45/61/439324561.db2.gz KNPKTKKFNIEGMG-UHFFFAOYSA-N 2 2 337.489 0.362 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000491295281 439362484 /nfs/dbraw/zinc/36/24/84/439362484.db2.gz GIXJDBMZGDUIBY-KSZLIROESA-N 2 2 333.476 0.779 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000491295281 439362488 /nfs/dbraw/zinc/36/24/88/439362488.db2.gz GIXJDBMZGDUIBY-KSZLIROESA-N 2 2 333.476 0.779 20 30 ECEDLP N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599299057 439424561 /nfs/dbraw/zinc/42/45/61/439424561.db2.gz AGKPNJCZJIZTGR-IAGOWNOFSA-N 2 2 337.464 0.712 20 30 ECEDLP N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599299057 439424562 /nfs/dbraw/zinc/42/45/62/439424562.db2.gz AGKPNJCZJIZTGR-IAGOWNOFSA-N 2 2 337.464 0.712 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CCC(=O)NC)CC1 ZINC000491707873 439433033 /nfs/dbraw/zinc/43/30/33/439433033.db2.gz PCPQAIYYGKGLBG-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CCC(=O)NC)CC1 ZINC000491707873 439433038 /nfs/dbraw/zinc/43/30/38/439433038.db2.gz PCPQAIYYGKGLBG-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000600746253 439699075 /nfs/dbraw/zinc/69/90/75/439699075.db2.gz VMOXYKWLUPGWID-IRXDYDNUSA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000600746253 439699078 /nfs/dbraw/zinc/69/90/78/439699078.db2.gz VMOXYKWLUPGWID-IRXDYDNUSA-N 2 2 333.432 0.734 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600728624 439695518 /nfs/dbraw/zinc/69/55/18/439695518.db2.gz VWDSEOGLUDRVLW-HBNTYKKESA-N 2 2 336.358 0.846 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600728624 439695521 /nfs/dbraw/zinc/69/55/21/439695521.db2.gz VWDSEOGLUDRVLW-HBNTYKKESA-N 2 2 336.358 0.846 20 30 ECEDLP C=CCn1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000648779761 440326929 /nfs/dbraw/zinc/32/69/29/440326929.db2.gz DRBJRUUYFYKAQJ-HNNXBMFYSA-N 2 2 332.452 0.705 20 30 ECEDLP C=CCn1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000648779761 440326936 /nfs/dbraw/zinc/32/69/36/440326936.db2.gz DRBJRUUYFYKAQJ-HNNXBMFYSA-N 2 2 332.452 0.705 20 30 ECEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)N1CC[NH2+]CC1=O)C(C)C ZINC000638069301 440423114 /nfs/dbraw/zinc/42/31/14/440423114.db2.gz NVPWCMZAKIMGCE-HOTGVXAUSA-N 2 2 336.480 0.622 20 30 ECEDLP CC#CC[NH2+]Cc1cn(CC(=O)NC2CC[NH+](C3CC3)CC2)nn1 ZINC000641003976 441043336 /nfs/dbraw/zinc/04/33/36/441043336.db2.gz PIDBXVIJJQGEIY-UHFFFAOYSA-N 2 2 330.436 0.134 20 30 ECEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000329400099 546022718 /nfs/dbraw/zinc/02/27/18/546022718.db2.gz YOPRSIDUDPGUSW-INIZCTEOSA-N 2 2 346.479 0.800 20 30 ECEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000329400099 546022722 /nfs/dbraw/zinc/02/27/22/546022722.db2.gz YOPRSIDUDPGUSW-INIZCTEOSA-N 2 2 346.479 0.800 20 30 ECEDLP C=CCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672639679 548364854 /nfs/dbraw/zinc/36/48/54/548364854.db2.gz DXNXUYZSVJODBM-OAHLLOKOSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672639679 548364858 /nfs/dbraw/zinc/36/48/58/548364858.db2.gz DXNXUYZSVJODBM-OAHLLOKOSA-N 2 2 336.480 0.744 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000730277853 578304396 /nfs/dbraw/zinc/30/43/96/578304396.db2.gz FMIIJMQPVBIFSX-KRWDZBQOSA-N 2 2 346.475 0.097 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000730277853 578304397 /nfs/dbraw/zinc/30/43/97/578304397.db2.gz FMIIJMQPVBIFSX-KRWDZBQOSA-N 2 2 346.475 0.097 20 30 ECEDLP CN1CC[C@@H](O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000734834563 578370642 /nfs/dbraw/zinc/37/06/42/578370642.db2.gz WLFBDSWCWHKGIE-OAHLLOKOSA-N 2 2 332.404 0.386 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000773697337 579232291 /nfs/dbraw/zinc/23/22/91/579232291.db2.gz VMIJCBBUDZXOAA-MSOLQXFVSA-N 2 2 333.476 0.902 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000773697337 579232293 /nfs/dbraw/zinc/23/22/93/579232293.db2.gz VMIJCBBUDZXOAA-MSOLQXFVSA-N 2 2 333.476 0.902 20 30 ECEDLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)CC2 ZINC000834480334 588901750 /nfs/dbraw/zinc/90/17/50/588901750.db2.gz OPWHDXOHXWMKMX-LSDHHAIUSA-N 2 2 344.415 0.290 20 30 ECEDLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)CC2 ZINC000834480334 588901752 /nfs/dbraw/zinc/90/17/52/588901752.db2.gz OPWHDXOHXWMKMX-LSDHHAIUSA-N 2 2 344.415 0.290 20 30 ECEDLP C#CC1(O)CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000893265686 586320537 /nfs/dbraw/zinc/32/05/37/586320537.db2.gz BURWPEXFWQVVAJ-UHFFFAOYSA-N 2 2 334.464 0.326 20 30 ECEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2CN(S(C)(=O)=O)C2)cc1 ZINC000902717945 586754995 /nfs/dbraw/zinc/75/49/95/586754995.db2.gz WYJYRHLRQRYHBP-UHFFFAOYSA-N 2 2 340.449 0.277 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105322136 589079486 /nfs/dbraw/zinc/07/94/86/589079486.db2.gz LLIKOIXTJZZORK-SJORKVTESA-N 2 2 346.475 0.097 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105322136 589079488 /nfs/dbraw/zinc/07/94/88/589079488.db2.gz LLIKOIXTJZZORK-SJORKVTESA-N 2 2 346.475 0.097 20 30 ECEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819046216 587465616 /nfs/dbraw/zinc/46/56/16/587465616.db2.gz NNRZURXBCBCQGF-QGZVFWFLSA-N 2 2 330.432 0.734 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC1 ZINC000852759418 589511026 /nfs/dbraw/zinc/51/10/26/589511026.db2.gz OBZILVXYABFXEV-KDURUIRLSA-N 2 2 331.460 0.656 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC1 ZINC000852759418 589511027 /nfs/dbraw/zinc/51/10/27/589511027.db2.gz OBZILVXYABFXEV-KDURUIRLSA-N 2 2 331.460 0.656 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCCC[NH+]1CCOCC1 ZINC000876707593 590400746 /nfs/dbraw/zinc/40/07/46/590400746.db2.gz LBPYTBKCHXVFQY-KRWDZBQOSA-N 2 2 328.416 0.584 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000876776389 590413807 /nfs/dbraw/zinc/41/38/07/590413807.db2.gz CJNJKXVGLNYMSB-KBPBESRZSA-N 2 2 342.871 0.611 20 30 ECEDLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000876782698 590414690 /nfs/dbraw/zinc/41/46/90/590414690.db2.gz SXVAWHORAKFBOS-RDTXWAMCSA-N 2 2 341.459 0.497 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876960528 590429582 /nfs/dbraw/zinc/42/95/82/590429582.db2.gz FJGMLAHKENBQFO-SFHVURJKSA-N 3 2 343.475 0.745 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876960528 590429585 /nfs/dbraw/zinc/42/95/85/590429585.db2.gz FJGMLAHKENBQFO-SFHVURJKSA-N 3 2 343.475 0.745 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000877081959 590437464 /nfs/dbraw/zinc/43/74/64/590437464.db2.gz UVZZQVWYCXIPDF-LSDHHAIUSA-N 2 2 338.839 0.869 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000877081959 590437466 /nfs/dbraw/zinc/43/74/66/590437466.db2.gz UVZZQVWYCXIPDF-LSDHHAIUSA-N 2 2 338.839 0.869 20 30 ECEDLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877433807 590465239 /nfs/dbraw/zinc/46/52/39/590465239.db2.gz JORGKHNCARJYTD-WMZOPIPTSA-N 2 2 342.443 0.972 20 30 ECEDLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877433807 590465240 /nfs/dbraw/zinc/46/52/40/590465240.db2.gz JORGKHNCARJYTD-WMZOPIPTSA-N 2 2 342.443 0.972 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000879243844 590573533 /nfs/dbraw/zinc/57/35/33/590573533.db2.gz MHZQAMIPFCLRAK-UYAOXDASSA-N 2 2 341.455 0.962 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000879243844 590573535 /nfs/dbraw/zinc/57/35/35/590573535.db2.gz MHZQAMIPFCLRAK-UYAOXDASSA-N 2 2 341.455 0.962 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000884046770 590716818 /nfs/dbraw/zinc/71/68/18/590716818.db2.gz RNHAISADTGFNEK-SJORKVTESA-N 2 2 336.480 0.740 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000884046770 590716823 /nfs/dbraw/zinc/71/68/23/590716823.db2.gz RNHAISADTGFNEK-SJORKVTESA-N 2 2 336.480 0.740 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000884211156 590776827 /nfs/dbraw/zinc/77/68/27/590776827.db2.gz VIIIOOZLPMYGOT-GJZGRUSLSA-N 2 2 339.436 0.146 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000890362706 591150310 /nfs/dbraw/zinc/15/03/10/591150310.db2.gz GNSVEANYWIZWGF-QGZVFWFLSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000890362706 591150314 /nfs/dbraw/zinc/15/03/14/591150314.db2.gz GNSVEANYWIZWGF-QGZVFWFLSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)C1 ZINC000890362706 591150317 /nfs/dbraw/zinc/15/03/17/591150317.db2.gz GNSVEANYWIZWGF-QGZVFWFLSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)C1 ZINC000890362706 591150319 /nfs/dbraw/zinc/15/03/19/591150319.db2.gz GNSVEANYWIZWGF-QGZVFWFLSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000890370564 591152871 /nfs/dbraw/zinc/15/28/71/591152871.db2.gz BMAMVJJZNCQTSF-IAGOWNOFSA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000890370564 591152873 /nfs/dbraw/zinc/15/28/73/591152873.db2.gz BMAMVJJZNCQTSF-IAGOWNOFSA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000890370992 591155037 /nfs/dbraw/zinc/15/50/37/591155037.db2.gz KAEQUJVNSRAWFW-ZWKOTPCHSA-N 2 2 348.491 0.980 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000890370992 591155039 /nfs/dbraw/zinc/15/50/39/591155039.db2.gz KAEQUJVNSRAWFW-ZWKOTPCHSA-N 2 2 348.491 0.980 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000890373209 591155068 /nfs/dbraw/zinc/15/50/68/591155068.db2.gz RGIBKLSTGORNTG-GVDBMIGSSA-N 2 2 334.464 0.325 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000890373209 591155069 /nfs/dbraw/zinc/15/50/69/591155069.db2.gz RGIBKLSTGORNTG-GVDBMIGSSA-N 2 2 334.464 0.325 20 30 ECEDLP C#CCN(C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1)C1CC[NH+](C)CC1 ZINC000930872734 611478355 /nfs/dbraw/zinc/47/83/55/611478355.db2.gz RCHDWHHINAOIQB-UHFFFAOYSA-N 2 2 342.443 0.871 20 30 ECEDLP CCCCC(N)=[NH+]OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000178148960 608949458 /nfs/dbraw/zinc/94/94/58/608949458.db2.gz VNFKSGDLOMHDOM-AWEZNQCLSA-N 2 2 328.457 0.938 20 30 ECEDLP C#CCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000915859697 609925234 /nfs/dbraw/zinc/92/52/34/609925234.db2.gz KWJAKVBTVPDAJV-UHFFFAOYSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000915859697 609925235 /nfs/dbraw/zinc/92/52/35/609925235.db2.gz KWJAKVBTVPDAJV-UHFFFAOYSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CCN(C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000917228338 609965096 /nfs/dbraw/zinc/96/50/96/609965096.db2.gz SSJGPPYSKSPRGY-INIZCTEOSA-N 2 2 335.496 0.361 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nnc(C)o3)C2)CC1 ZINC000939812466 610137554 /nfs/dbraw/zinc/13/75/54/610137554.db2.gz WPSXFDVYDNEGPU-CJNGLKHVSA-N 2 2 345.447 0.660 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000941470389 610329375 /nfs/dbraw/zinc/32/93/75/610329375.db2.gz DIUHUGXQYOUCHZ-GOSISDBHSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941470389 610329377 /nfs/dbraw/zinc/32/93/77/610329377.db2.gz DIUHUGXQYOUCHZ-GOSISDBHSA-N 2 2 332.492 0.568 20 30 ECEDLP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000941532510 610364101 /nfs/dbraw/zinc/36/41/01/610364101.db2.gz ZOZKKFZWQLOIST-KRWDZBQOSA-N 2 2 336.480 0.110 20 30 ECEDLP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000941532510 610364102 /nfs/dbraw/zinc/36/41/02/610364102.db2.gz ZOZKKFZWQLOIST-KRWDZBQOSA-N 2 2 336.480 0.110 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408359 610722465 /nfs/dbraw/zinc/72/24/65/610722465.db2.gz CEAQNXUZDCLATR-QZTJIDSGSA-N 2 2 344.503 0.713 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408359 610722467 /nfs/dbraw/zinc/72/24/67/610722467.db2.gz CEAQNXUZDCLATR-QZTJIDSGSA-N 2 2 344.503 0.713 20 30 ECEDLP N#Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000923400788 611238448 /nfs/dbraw/zinc/23/84/48/611238448.db2.gz YVMLKVOZBOKQAL-KRWDZBQOSA-N 2 2 343.431 0.234 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cnc(C)cn2)C1 ZINC000971703265 734964143 /nfs/dbraw/zinc/96/41/43/734964143.db2.gz BUYCDJZFXUBWHK-MSOLQXFVSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnc(C)cn2)C1 ZINC000971703265 734964145 /nfs/dbraw/zinc/96/41/45/734964145.db2.gz BUYCDJZFXUBWHK-MSOLQXFVSA-N 2 2 341.459 0.915 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(C)n(C)n2)C1 ZINC000971703279 734964276 /nfs/dbraw/zinc/96/42/76/734964276.db2.gz CDOXYBGXLDUSLZ-MSOLQXFVSA-N 2 2 343.475 0.859 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(C)n(C)n2)C1 ZINC000971703279 734964278 /nfs/dbraw/zinc/96/42/78/734964278.db2.gz CDOXYBGXLDUSLZ-MSOLQXFVSA-N 2 2 343.475 0.859 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cc(C)n(C)n2)C1 ZINC000971703279 734964286 /nfs/dbraw/zinc/96/42/86/734964286.db2.gz CDOXYBGXLDUSLZ-MSOLQXFVSA-N 2 2 343.475 0.859 20 30 ECEDLP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972315979 735934263 /nfs/dbraw/zinc/93/42/63/735934263.db2.gz KNGHCCQPBGFGDF-AEFFLSMTSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972315979 735934265 /nfs/dbraw/zinc/93/42/65/735934265.db2.gz KNGHCCQPBGFGDF-AEFFLSMTSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315979 735934268 /nfs/dbraw/zinc/93/42/68/735934268.db2.gz KNGHCCQPBGFGDF-AEFFLSMTSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315979 735934273 /nfs/dbraw/zinc/93/42/73/735934273.db2.gz KNGHCCQPBGFGDF-AEFFLSMTSA-N 2 2 337.464 0.587 20 30 ECEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000972428926 736178375 /nfs/dbraw/zinc/17/83/75/736178375.db2.gz RDMYTOSKOCPUTG-LJQANCHMSA-N 2 2 331.460 0.799 20 30 ECEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000972428926 736178379 /nfs/dbraw/zinc/17/83/79/736178379.db2.gz RDMYTOSKOCPUTG-LJQANCHMSA-N 2 2 331.460 0.799 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001023510306 736940874 /nfs/dbraw/zinc/94/08/74/736940874.db2.gz HOPMICBYFCRPFC-QZTJIDSGSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001023510306 736940877 /nfs/dbraw/zinc/94/08/77/736940877.db2.gz HOPMICBYFCRPFC-QZTJIDSGSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001023510306 736940881 /nfs/dbraw/zinc/94/08/81/736940881.db2.gz HOPMICBYFCRPFC-QZTJIDSGSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001023510306 736940884 /nfs/dbraw/zinc/94/08/84/736940884.db2.gz HOPMICBYFCRPFC-QZTJIDSGSA-N 2 2 333.476 0.949 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104732290 739569082 /nfs/dbraw/zinc/56/90/82/739569082.db2.gz RQOVFODDJZORTR-RBSFLKMASA-N 2 2 347.463 0.717 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC#CC)C[C@@H]32)CC1 ZINC001083283756 739749165 /nfs/dbraw/zinc/74/91/65/739749165.db2.gz RPLKARDPYAVRSV-ZWKOTPCHSA-N 2 2 329.444 0.267 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)c3cnccn3)C[C@H]21 ZINC001025814033 739996524 /nfs/dbraw/zinc/99/65/24/739996524.db2.gz FDWRDUNHTAFLCK-YONAWACDSA-N 2 2 339.443 0.682 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3cnccn3)C[C@H]21 ZINC001025814033 739996526 /nfs/dbraw/zinc/99/65/26/739996526.db2.gz FDWRDUNHTAFLCK-YONAWACDSA-N 2 2 339.443 0.682 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)c3cnccn3)C[C@H]21 ZINC001025814033 739996528 /nfs/dbraw/zinc/99/65/28/739996528.db2.gz FDWRDUNHTAFLCK-YONAWACDSA-N 2 2 339.443 0.682 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H](C)c3cnccn3)C[C@H]21 ZINC001025814033 739996530 /nfs/dbraw/zinc/99/65/30/739996530.db2.gz FDWRDUNHTAFLCK-YONAWACDSA-N 2 2 339.443 0.682 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)nn1 ZINC001105240564 741533438 /nfs/dbraw/zinc/53/34/38/741533438.db2.gz RRMJEKRHZWCBJD-HOCLYGCPSA-N 2 2 342.447 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240564 741533439 /nfs/dbraw/zinc/53/34/39/741533439.db2.gz RRMJEKRHZWCBJD-HOCLYGCPSA-N 2 2 342.447 0.259 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CCC(NC(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC001026584022 741577551 /nfs/dbraw/zinc/57/75/51/741577551.db2.gz LHJGFZJIHHRROH-YMAMQOFZSA-N 2 2 345.447 0.756 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn4c[nH+]cc4c3)C2)nn1 ZINC001105276699 741630416 /nfs/dbraw/zinc/63/04/16/741630416.db2.gz RCVHTSBLTIXMCW-UHFFFAOYSA-N 2 2 337.387 0.899 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001026879885 742016222 /nfs/dbraw/zinc/01/62/22/742016222.db2.gz DIDKRRRLVWKHKD-GOEBONIOSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001026879885 742016228 /nfs/dbraw/zinc/01/62/28/742016228.db2.gz DIDKRRRLVWKHKD-GOEBONIOSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001026894281 742040464 /nfs/dbraw/zinc/04/04/64/742040464.db2.gz ZKTMXHFGXKFBPB-CABCVRRESA-N 2 2 330.436 0.149 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001026894281 742040470 /nfs/dbraw/zinc/04/04/70/742040470.db2.gz ZKTMXHFGXKFBPB-CABCVRRESA-N 2 2 330.436 0.149 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3ncnn3C)C2)CC1 ZINC001029003871 743161121 /nfs/dbraw/zinc/16/11/21/743161121.db2.gz QGWLKILRSJRGHV-OAHLLOKOSA-N 2 2 344.463 0.098 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3ncnn3C)C2)CC1 ZINC001029003871 743161129 /nfs/dbraw/zinc/16/11/29/743161129.db2.gz QGWLKILRSJRGHV-OAHLLOKOSA-N 2 2 344.463 0.098 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC000997117188 743253925 /nfs/dbraw/zinc/25/39/25/743253925.db2.gz DJSVWNWUPMWTIB-CQSZACIVSA-N 2 2 331.420 0.320 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1=O ZINC000998119529 743987810 /nfs/dbraw/zinc/98/78/10/743987810.db2.gz MLDZKONCFHOUQO-INIZCTEOSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC000999467624 744712885 /nfs/dbraw/zinc/71/28/85/744712885.db2.gz DCPXJUZGFQQGIV-ZALBZXLWSA-N 2 2 331.420 0.318 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH+]ccc3N(C)C)C2)nn1 ZINC001105360584 751971448 /nfs/dbraw/zinc/97/14/48/751971448.db2.gz BITJPXNRBDHFMY-UHFFFAOYSA-N 2 2 341.419 0.712 20 30 ECEDLP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001098697559 745233059 /nfs/dbraw/zinc/23/30/59/745233059.db2.gz IQEQLKGPFJJQKF-MRXNPFEDSA-N 2 2 341.419 0.451 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC000983901095 745477113 /nfs/dbraw/zinc/47/71/13/745477113.db2.gz KPHSHMKKMFXYPA-KKUMJFAQSA-N 2 2 347.488 0.929 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C)s2)C1 ZINC000983901095 745477115 /nfs/dbraw/zinc/47/71/15/745477115.db2.gz KPHSHMKKMFXYPA-KKUMJFAQSA-N 2 2 347.488 0.929 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978527074 746406500 /nfs/dbraw/zinc/40/65/00/746406500.db2.gz PUHVVAJICGTTDQ-AKHDSKFASA-N 2 2 345.487 0.805 20 30 ECEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978527074 746406501 /nfs/dbraw/zinc/40/65/01/746406501.db2.gz PUHVVAJICGTTDQ-AKHDSKFASA-N 2 2 345.487 0.805 20 30 ECEDLP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@@H+]3CC3CCC3)[C@@H]2C1 ZINC000978527074 746406503 /nfs/dbraw/zinc/40/65/03/746406503.db2.gz PUHVVAJICGTTDQ-AKHDSKFASA-N 2 2 345.487 0.805 20 30 ECEDLP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@H+]3CC3CCC3)[C@@H]2C1 ZINC000978527074 746406506 /nfs/dbraw/zinc/40/65/06/746406506.db2.gz PUHVVAJICGTTDQ-AKHDSKFASA-N 2 2 345.487 0.805 20 30 ECEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978628598 746500879 /nfs/dbraw/zinc/50/08/79/746500879.db2.gz OTZAERHJKKVFNN-FJIDUMEYSA-N 2 2 331.460 0.557 20 30 ECEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978628598 746500882 /nfs/dbraw/zinc/50/08/82/746500882.db2.gz OTZAERHJKKVFNN-FJIDUMEYSA-N 2 2 331.460 0.557 20 30 ECEDLP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978628598 746500886 /nfs/dbraw/zinc/50/08/86/746500886.db2.gz OTZAERHJKKVFNN-FJIDUMEYSA-N 2 2 331.460 0.557 20 30 ECEDLP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978628598 746500889 /nfs/dbraw/zinc/50/08/89/746500889.db2.gz OTZAERHJKKVFNN-FJIDUMEYSA-N 2 2 331.460 0.557 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001027805199 747920343 /nfs/dbraw/zinc/92/03/43/747920343.db2.gz PCVBHISHWWKYDO-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001027805199 747920346 /nfs/dbraw/zinc/92/03/46/747920346.db2.gz PCVBHISHWWKYDO-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC001027805199 747920348 /nfs/dbraw/zinc/92/03/48/747920348.db2.gz PCVBHISHWWKYDO-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC001027805199 747920351 /nfs/dbraw/zinc/92/03/51/747920351.db2.gz PCVBHISHWWKYDO-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC001003055679 748124230 /nfs/dbraw/zinc/12/42/30/748124230.db2.gz KBFSPSVLJOWBTR-SFHVURJKSA-N 2 2 343.475 0.907 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC001003055679 748124232 /nfs/dbraw/zinc/12/42/32/748124232.db2.gz KBFSPSVLJOWBTR-SFHVURJKSA-N 2 2 343.475 0.907 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)nn1 ZINC001098733556 749119431 /nfs/dbraw/zinc/11/94/31/749119431.db2.gz LTUMRUPGXCCGCY-MRXNPFEDSA-N 2 2 344.463 0.506 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001098733556 749119435 /nfs/dbraw/zinc/11/94/35/749119435.db2.gz LTUMRUPGXCCGCY-MRXNPFEDSA-N 2 2 344.463 0.506 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1=O ZINC000981327644 750587647 /nfs/dbraw/zinc/58/76/47/750587647.db2.gz UZHNSLBJEXGWCR-MRXNPFEDSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1=O ZINC000981327644 750587651 /nfs/dbraw/zinc/58/76/51/750587651.db2.gz UZHNSLBJEXGWCR-MRXNPFEDSA-N 2 2 348.491 0.792 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2cnnn2C)CC1 ZINC001028333739 752411528 /nfs/dbraw/zinc/41/15/28/752411528.db2.gz PSXIEBUDVBDNDC-MRXNPFEDSA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cnnn2C)CC1 ZINC001028333739 752411530 /nfs/dbraw/zinc/41/15/30/752411530.db2.gz PSXIEBUDVBDNDC-MRXNPFEDSA-N 2 2 344.463 0.241 20 30 ECEDLP C=CCC[NH2+]Cc1cn(C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC001105366409 752462878 /nfs/dbraw/zinc/46/28/78/752462878.db2.gz NONSWVZYZNVYKO-UHFFFAOYSA-N 2 2 329.408 0.601 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)CCc3c[nH+]cn3C)C2)nn1 ZINC001105367789 752464804 /nfs/dbraw/zinc/46/48/04/752464804.db2.gz AMPWDPLODSTUJY-UHFFFAOYSA-N 2 2 343.435 0.693 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001030019201 752630162 /nfs/dbraw/zinc/63/01/62/752630162.db2.gz LASVZKROHZLCMV-PMPSAXMXSA-N 2 2 344.463 0.554 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001030019201 752630167 /nfs/dbraw/zinc/63/01/67/752630167.db2.gz LASVZKROHZLCMV-PMPSAXMXSA-N 2 2 344.463 0.554 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1C ZINC000988736602 752634857 /nfs/dbraw/zinc/63/48/57/752634857.db2.gz OXIKITBOXYKHHG-LTIDMASMSA-N 2 2 346.475 0.284 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@@H]1C ZINC000988736602 752634861 /nfs/dbraw/zinc/63/48/61/752634861.db2.gz OXIKITBOXYKHHG-LTIDMASMSA-N 2 2 346.475 0.284 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@@H]1C ZINC000988736602 752634864 /nfs/dbraw/zinc/63/48/64/752634864.db2.gz OXIKITBOXYKHHG-LTIDMASMSA-N 2 2 346.475 0.284 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@@H]1C ZINC000988736602 752634869 /nfs/dbraw/zinc/63/48/69/752634869.db2.gz OXIKITBOXYKHHG-LTIDMASMSA-N 2 2 346.475 0.284 20 30 ECEDLP C[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261944251 752849520 /nfs/dbraw/zinc/84/95/20/752849520.db2.gz FHKBWQLSJUPEBM-AWEZNQCLSA-N 2 2 344.525 0.803 20 30 ECEDLP C[NH+]=C(NCC[N@H+]1CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261944251 752849527 /nfs/dbraw/zinc/84/95/27/752849527.db2.gz FHKBWQLSJUPEBM-AWEZNQCLSA-N 2 2 344.525 0.803 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3cnnn3C)C2)CC1 ZINC001009631489 755094353 /nfs/dbraw/zinc/09/43/53/755094353.db2.gz ZQAHNXXDUJJXIJ-MRXNPFEDSA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3cnnn3C)C2)CC1 ZINC001009631489 755094357 /nfs/dbraw/zinc/09/43/57/755094357.db2.gz ZQAHNXXDUJJXIJ-MRXNPFEDSA-N 2 2 344.463 0.241 20 30 ECEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C(C)C)C[C@H]1O ZINC001105656812 755207221 /nfs/dbraw/zinc/20/72/21/755207221.db2.gz UEYXKWZXHSKOFK-FPAYPSAMSA-N 2 2 344.459 0.942 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083536002 755976296 /nfs/dbraw/zinc/97/62/96/755976296.db2.gz YRRQKYPARAIDRD-ILXRZTDVSA-N 2 2 341.402 0.291 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083536002 755976299 /nfs/dbraw/zinc/97/62/99/755976299.db2.gz YRRQKYPARAIDRD-ILXRZTDVSA-N 2 2 341.402 0.291 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083536002 755976303 /nfs/dbraw/zinc/97/63/03/755976303.db2.gz YRRQKYPARAIDRD-ILXRZTDVSA-N 2 2 341.402 0.291 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@@H]1O ZINC001083536002 755976307 /nfs/dbraw/zinc/97/63/07/755976307.db2.gz YRRQKYPARAIDRD-ILXRZTDVSA-N 2 2 341.402 0.291 20 30 ECEDLP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CCCC)C[C@H]2C1 ZINC001048960671 757522228 /nfs/dbraw/zinc/52/22/28/757522228.db2.gz HSHQDMBACQGICR-KSZLIROESA-N 2 2 333.476 0.901 20 30 ECEDLP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001048960671 757522232 /nfs/dbraw/zinc/52/22/32/757522232.db2.gz HSHQDMBACQGICR-KSZLIROESA-N 2 2 333.476 0.901 20 30 ECEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3CCCC)C[C@H]2C1 ZINC001048960671 757522237 /nfs/dbraw/zinc/52/22/37/757522237.db2.gz HSHQDMBACQGICR-KSZLIROESA-N 2 2 333.476 0.901 20 30 ECEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3CCCC)C[C@H]2C1 ZINC001048960671 757522240 /nfs/dbraw/zinc/52/22/40/757522240.db2.gz HSHQDMBACQGICR-KSZLIROESA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cscn2)C1 ZINC001051660519 762619080 /nfs/dbraw/zinc/61/90/80/762619080.db2.gz VULDLWYFEGTTCE-CVEARBPZSA-N 2 2 348.472 0.558 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cscn2)C1 ZINC001051660519 762619082 /nfs/dbraw/zinc/61/90/82/762619082.db2.gz VULDLWYFEGTTCE-CVEARBPZSA-N 2 2 348.472 0.558 20 30 ECEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@H]2C1 ZINC001049226018 758379956 /nfs/dbraw/zinc/37/99/56/758379956.db2.gz CZGXSHOWWTTZDU-FGTMMUONSA-N 2 2 331.460 0.511 20 30 ECEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@H]2C1 ZINC001049226018 758379966 /nfs/dbraw/zinc/37/99/66/758379966.db2.gz CZGXSHOWWTTZDU-FGTMMUONSA-N 2 2 331.460 0.511 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1=O ZINC001022231006 758455822 /nfs/dbraw/zinc/45/58/22/758455822.db2.gz OCIDPKVJHKVGBS-XLWJZTARSA-N 2 2 343.431 0.537 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1=O ZINC001022231006 758455824 /nfs/dbraw/zinc/45/58/24/758455824.db2.gz OCIDPKVJHKVGBS-XLWJZTARSA-N 2 2 343.431 0.537 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000996685871 758470957 /nfs/dbraw/zinc/47/09/57/758470957.db2.gz RFYCDGIVIBHYLZ-BBRMVZONSA-N 2 2 344.463 0.852 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000996685871 758470962 /nfs/dbraw/zinc/47/09/62/758470962.db2.gz RFYCDGIVIBHYLZ-BBRMVZONSA-N 2 2 344.463 0.852 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC(=O)N3CCCC3)C2)CC1 ZINC001032205284 759612169 /nfs/dbraw/zinc/61/21/69/759612169.db2.gz UKCCSSSGGTWWOG-UHFFFAOYSA-N 2 2 346.475 0.002 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782626 760469464 /nfs/dbraw/zinc/46/94/64/760469464.db2.gz DVMBUNBXYJTNKP-CVEARBPZSA-N 2 2 332.404 0.069 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782626 760469472 /nfs/dbraw/zinc/46/94/72/760469472.db2.gz DVMBUNBXYJTNKP-CVEARBPZSA-N 2 2 332.404 0.069 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106224092 767971652 /nfs/dbraw/zinc/97/16/52/767971652.db2.gz POUWROZQQHREDY-ZIAGYGMSSA-N 2 2 333.436 0.329 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106224092 767971655 /nfs/dbraw/zinc/97/16/55/767971655.db2.gz POUWROZQQHREDY-ZIAGYGMSSA-N 2 2 333.436 0.329 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000995913853 760809173 /nfs/dbraw/zinc/80/91/73/760809173.db2.gz ATIPQPGWCKGBJX-LSDHHAIUSA-N 2 2 344.463 0.239 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ncnn2C)C(C)(C)C1 ZINC000995913853 760809186 /nfs/dbraw/zinc/80/91/86/760809186.db2.gz ATIPQPGWCKGBJX-LSDHHAIUSA-N 2 2 344.463 0.239 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106340018 768164707 /nfs/dbraw/zinc/16/47/07/768164707.db2.gz ICIHBZMFNBWXAA-IXDOHACOSA-N 2 2 344.459 0.779 20 30 ECEDLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052093153 763837199 /nfs/dbraw/zinc/83/71/99/763837199.db2.gz KEBJQKUOFFGYQQ-ZWKOTPCHSA-N 2 2 347.507 0.991 20 30 ECEDLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052093153 763837206 /nfs/dbraw/zinc/83/72/06/763837206.db2.gz KEBJQKUOFFGYQQ-ZWKOTPCHSA-N 2 2 347.507 0.991 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001047452916 764393886 /nfs/dbraw/zinc/39/38/86/764393886.db2.gz HWMRSWMRRVJQNO-IRXDYDNUSA-N 2 2 341.415 0.961 20 30 ECEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001047452916 764393892 /nfs/dbraw/zinc/39/38/92/764393892.db2.gz HWMRSWMRRVJQNO-IRXDYDNUSA-N 2 2 341.415 0.961 20 30 ECEDLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047626822 764920401 /nfs/dbraw/zinc/92/04/01/764920401.db2.gz GSDVWGWWIKCWDA-QYZOEREBSA-N 2 2 341.455 0.493 20 30 ECEDLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047626822 764920407 /nfs/dbraw/zinc/92/04/07/764920407.db2.gz GSDVWGWWIKCWDA-QYZOEREBSA-N 2 2 341.455 0.493 20 30 ECEDLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047626822 764920415 /nfs/dbraw/zinc/92/04/15/764920415.db2.gz GSDVWGWWIKCWDA-QYZOEREBSA-N 2 2 341.455 0.493 20 30 ECEDLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](CC#Cc2ccccc2)C[C@@H]1O ZINC001047626822 764920421 /nfs/dbraw/zinc/92/04/21/764920421.db2.gz GSDVWGWWIKCWDA-QYZOEREBSA-N 2 2 341.455 0.493 20 30 ECEDLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047627827 764924875 /nfs/dbraw/zinc/92/48/75/764924875.db2.gz XGVGSSADFIORTQ-KCXAZCMYSA-N 2 2 348.472 0.575 20 30 ECEDLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047627827 764924881 /nfs/dbraw/zinc/92/48/81/764924881.db2.gz XGVGSSADFIORTQ-KCXAZCMYSA-N 2 2 348.472 0.575 20 30 ECEDLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047627827 764924887 /nfs/dbraw/zinc/92/48/87/764924887.db2.gz XGVGSSADFIORTQ-KCXAZCMYSA-N 2 2 348.472 0.575 20 30 ECEDLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047627827 764924891 /nfs/dbraw/zinc/92/48/91/764924891.db2.gz XGVGSSADFIORTQ-KCXAZCMYSA-N 2 2 348.472 0.575 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001016261271 765999358 /nfs/dbraw/zinc/99/93/58/765999358.db2.gz WGHXOTNRMSIWTF-LSDHHAIUSA-N 2 2 331.420 0.169 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001016261271 765999362 /nfs/dbraw/zinc/99/93/62/765999362.db2.gz WGHXOTNRMSIWTF-LSDHHAIUSA-N 2 2 331.420 0.169 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCOC3(C[NH+](CC4CC4)C3)C2)CC1 ZINC001053540887 766306398 /nfs/dbraw/zinc/30/63/98/766306398.db2.gz KAXIUDRQJCYSPV-UHFFFAOYSA-N 2 2 331.460 0.655 20 30 ECEDLP N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046029880 766695739 /nfs/dbraw/zinc/69/57/39/766695739.db2.gz DOGRYLMPFNACHA-SJORKVTESA-N 2 2 331.464 0.070 20 30 ECEDLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC[N@@H+]1C ZINC001046032239 766704413 /nfs/dbraw/zinc/70/44/13/766704413.db2.gz HAOIMJYQCIWUQD-YESZJQIVSA-N 2 2 333.480 0.459 20 30 ECEDLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC[N@H+]1C ZINC001046032239 766704420 /nfs/dbraw/zinc/70/44/20/766704420.db2.gz HAOIMJYQCIWUQD-YESZJQIVSA-N 2 2 333.480 0.459 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219942 767086913 /nfs/dbraw/zinc/08/69/13/767086913.db2.gz QYGOJLKMTHRODG-PKOBYXMFSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219942 767086920 /nfs/dbraw/zinc/08/69/20/767086920.db2.gz QYGOJLKMTHRODG-PKOBYXMFSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219942 767086928 /nfs/dbraw/zinc/08/69/28/767086928.db2.gz QYGOJLKMTHRODG-PKOBYXMFSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219942 767086936 /nfs/dbraw/zinc/08/69/36/767086936.db2.gz QYGOJLKMTHRODG-PKOBYXMFSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046505972 767267607 /nfs/dbraw/zinc/26/76/07/767267607.db2.gz NOGKCFDQJZZPCC-SOLBZPMBSA-N 2 2 337.464 0.633 20 30 ECEDLP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001046505972 767267609 /nfs/dbraw/zinc/26/76/09/767267609.db2.gz NOGKCFDQJZZPCC-SOLBZPMBSA-N 2 2 337.464 0.633 20 30 ECEDLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710348 768697215 /nfs/dbraw/zinc/69/72/15/768697215.db2.gz HFBDWAGOGQIEFS-RBSFLKMASA-N 2 2 346.435 0.158 20 30 ECEDLP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001055539543 769057188 /nfs/dbraw/zinc/05/71/88/769057188.db2.gz AHWBOKMUNUMFHS-UHFFFAOYSA-N 2 2 347.463 0.924 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nn(CC)nc2C)C1 ZINC001018986294 770486967 /nfs/dbraw/zinc/48/69/67/770486967.db2.gz XPSIXFRVOJLVND-RDJZCZTQSA-N 2 2 344.463 0.395 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nn(CC)nc2C)C1 ZINC001018986294 770486972 /nfs/dbraw/zinc/48/69/72/770486972.db2.gz XPSIXFRVOJLVND-RDJZCZTQSA-N 2 2 344.463 0.395 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnc(C)[nH]3)C2)CC1 ZINC001019815499 771831248 /nfs/dbraw/zinc/83/12/48/771831248.db2.gz HGWSDPQYVKNUAP-BBRMVZONSA-N 2 2 344.463 0.710 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(CC)n2C)C1 ZINC001020250979 772351256 /nfs/dbraw/zinc/35/12/56/772351256.db2.gz YPVKDPAUPPGOBG-KKUMJFAQSA-N 2 2 344.463 0.212 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(CC)n2C)C1 ZINC001020250979 772351265 /nfs/dbraw/zinc/35/12/65/772351265.db2.gz YPVKDPAUPPGOBG-KKUMJFAQSA-N 2 2 344.463 0.212 20 30 ECEDLP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526190 781221487 /nfs/dbraw/zinc/22/14/87/781221487.db2.gz JCSIUGVEEOVFJA-ZTFGCOKTSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079526190 781221491 /nfs/dbraw/zinc/22/14/91/781221491.db2.gz JCSIUGVEEOVFJA-ZTFGCOKTSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079526190 781221496 /nfs/dbraw/zinc/22/14/96/781221496.db2.gz JCSIUGVEEOVFJA-ZTFGCOKTSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079526190 781221500 /nfs/dbraw/zinc/22/15/00/781221500.db2.gz JCSIUGVEEOVFJA-ZTFGCOKTSA-N 2 2 342.443 0.825 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001077906711 781914819 /nfs/dbraw/zinc/91/48/19/781914819.db2.gz MSKXXJNMIMSERL-HZPDHXFCSA-N 2 2 325.372 0.066 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001077906711 781914828 /nfs/dbraw/zinc/91/48/28/781914828.db2.gz MSKXXJNMIMSERL-HZPDHXFCSA-N 2 2 325.372 0.066 20 30 ECEDLP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001070380555 783918190 /nfs/dbraw/zinc/91/81/90/783918190.db2.gz MIBILMYQQHCIHQ-KDOFPFPSSA-N 2 2 345.447 0.614 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070540797 784245091 /nfs/dbraw/zinc/24/50/91/784245091.db2.gz JGYLPACYGGLSNW-GOEBONIOSA-N 2 2 328.420 0.846 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001071000165 784369844 /nfs/dbraw/zinc/36/98/44/784369844.db2.gz QPNMROONUFYPOR-INIZCTEOSA-N 2 2 336.480 0.555 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001071000165 784369850 /nfs/dbraw/zinc/36/98/50/784369850.db2.gz QPNMROONUFYPOR-INIZCTEOSA-N 2 2 336.480 0.555 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001071000165 784369856 /nfs/dbraw/zinc/36/98/56/784369856.db2.gz QPNMROONUFYPOR-INIZCTEOSA-N 2 2 336.480 0.555 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001071000165 784369863 /nfs/dbraw/zinc/36/98/63/784369863.db2.gz QPNMROONUFYPOR-INIZCTEOSA-N 2 2 336.480 0.555 20 30 ECEDLP C#CC[NH+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001070596013 784406226 /nfs/dbraw/zinc/40/62/26/784406226.db2.gz UOUPCKUWXLFOOD-JYJNAYRXSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[NH+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001070596013 784406233 /nfs/dbraw/zinc/40/62/33/784406233.db2.gz UOUPCKUWXLFOOD-JYJNAYRXSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCC[NH+]2C)n1 ZINC001070596013 784406240 /nfs/dbraw/zinc/40/62/40/784406240.db2.gz UOUPCKUWXLFOOD-JYJNAYRXSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCC[NH+]2C)n1 ZINC001070596013 784406245 /nfs/dbraw/zinc/40/62/45/784406245.db2.gz UOUPCKUWXLFOOD-JYJNAYRXSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCF)C1 ZINC001070656534 784508749 /nfs/dbraw/zinc/50/87/49/784508749.db2.gz MFLZXGSIUNZDBD-OAGGEKHMSA-N 2 2 347.438 0.371 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCF)C1 ZINC001070656534 784508752 /nfs/dbraw/zinc/50/87/52/784508752.db2.gz MFLZXGSIUNZDBD-OAGGEKHMSA-N 2 2 347.438 0.371 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1c1cncn1C ZINC001070713962 784584562 /nfs/dbraw/zinc/58/45/62/784584562.db2.gz SZAAXBIZDCAGCV-UKRRQHHQSA-N 2 2 326.404 0.212 20 30 ECEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C[NH+](C)C)on1)C[C@H](C)O2 ZINC001071183266 784682534 /nfs/dbraw/zinc/68/25/34/784682534.db2.gz LSVGVLHRHARACM-KSSFIOAISA-N 2 2 346.431 0.675 20 30 ECEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C[NH+](C)C)on1)C[C@H](C)O2 ZINC001071183266 784682536 /nfs/dbraw/zinc/68/25/36/784682536.db2.gz LSVGVLHRHARACM-KSSFIOAISA-N 2 2 346.431 0.675 20 30 ECEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071235475 784802033 /nfs/dbraw/zinc/80/20/33/784802033.db2.gz FECXOJLNRQAFDS-QAPCUYQASA-N 2 2 330.432 0.678 20 30 ECEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071235475 784802038 /nfs/dbraw/zinc/80/20/38/784802038.db2.gz FECXOJLNRQAFDS-QAPCUYQASA-N 2 2 330.432 0.678 20 30 ECEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21 ZINC001074366101 786769421 /nfs/dbraw/zinc/76/94/21/786769421.db2.gz OVZUUQPASJUSGH-MSOLQXFVSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21 ZINC001074366101 786769427 /nfs/dbraw/zinc/76/94/27/786769427.db2.gz OVZUUQPASJUSGH-MSOLQXFVSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664865 786912470 /nfs/dbraw/zinc/91/24/70/786912470.db2.gz QRCBUFHZTGTJPD-WBVHZDCISA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664865 786912479 /nfs/dbraw/zinc/91/24/79/786912479.db2.gz QRCBUFHZTGTJPD-WBVHZDCISA-N 2 2 330.432 0.676 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001074581704 787320741 /nfs/dbraw/zinc/32/07/41/787320741.db2.gz KBSQNUHQJACAII-RWMBFGLXSA-N 2 2 346.269 0.805 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001074581704 787320758 /nfs/dbraw/zinc/32/07/58/787320758.db2.gz KBSQNUHQJACAII-RWMBFGLXSA-N 2 2 346.269 0.805 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@H]2C)C1=O ZINC001075144853 788975594 /nfs/dbraw/zinc/97/55/94/788975594.db2.gz VNSHNKYVPIGXDE-KKUMJFAQSA-N 2 2 331.420 0.249 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924724 790195585 /nfs/dbraw/zinc/19/55/85/790195585.db2.gz BRWJGAUCOZUVCK-PMPSAXMXSA-N 2 2 332.452 0.678 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924724 790195588 /nfs/dbraw/zinc/19/55/88/790195588.db2.gz BRWJGAUCOZUVCK-PMPSAXMXSA-N 2 2 332.452 0.678 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924724 790195591 /nfs/dbraw/zinc/19/55/91/790195591.db2.gz BRWJGAUCOZUVCK-PMPSAXMXSA-N 2 2 332.452 0.678 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924724 790195594 /nfs/dbraw/zinc/19/55/94/790195594.db2.gz BRWJGAUCOZUVCK-PMPSAXMXSA-N 2 2 332.452 0.678 20 30 ECEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959520 790241497 /nfs/dbraw/zinc/24/14/97/790241497.db2.gz ZVOGUSANGSYWML-OAGGEKHMSA-N 2 2 330.436 0.127 20 30 ECEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959520 790241500 /nfs/dbraw/zinc/24/15/00/790241500.db2.gz ZVOGUSANGSYWML-OAGGEKHMSA-N 2 2 330.436 0.127 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069959520 790241505 /nfs/dbraw/zinc/24/15/05/790241505.db2.gz ZVOGUSANGSYWML-OAGGEKHMSA-N 2 2 330.436 0.127 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069959520 790241509 /nfs/dbraw/zinc/24/15/09/790241509.db2.gz ZVOGUSANGSYWML-OAGGEKHMSA-N 2 2 330.436 0.127 20 30 ECEDLP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001267574882 837824928 /nfs/dbraw/zinc/82/49/28/837824928.db2.gz VOSIAPZAVGKROV-IAGOWNOFSA-N 2 2 343.475 0.623 20 30 ECEDLP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001266415493 835821208 /nfs/dbraw/zinc/82/12/08/835821208.db2.gz VXGFMSWZWSGESI-HZPDHXFCSA-N 2 2 330.432 0.580 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266693308 836154657 /nfs/dbraw/zinc/15/46/57/836154657.db2.gz VIQMAVWIQHVGSQ-YUELXQCFSA-N 2 2 344.415 0.007 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266790116 836305140 /nfs/dbraw/zinc/30/51/40/836305140.db2.gz CGNUPNHDRSFUFO-CABCVRRESA-N 2 2 345.447 0.308 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266790116 836305155 /nfs/dbraw/zinc/30/51/55/836305155.db2.gz CGNUPNHDRSFUFO-CABCVRRESA-N 2 2 345.447 0.308 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001266895627 836447022 /nfs/dbraw/zinc/44/70/22/836447022.db2.gz QNKQDZMOLPMYDN-HZPDHXFCSA-N 2 2 345.447 0.239 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001266895627 836447029 /nfs/dbraw/zinc/44/70/29/836447029.db2.gz QNKQDZMOLPMYDN-HZPDHXFCSA-N 2 2 345.447 0.239 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC001266951504 836517575 /nfs/dbraw/zinc/51/75/75/836517575.db2.gz UWZMYGITMVQWJG-STQMWFEESA-N 2 2 337.855 0.765 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC001266951504 836517578 /nfs/dbraw/zinc/51/75/78/836517578.db2.gz UWZMYGITMVQWJG-STQMWFEESA-N 2 2 337.855 0.765 20 30 ECEDLP C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001267002631 836598347 /nfs/dbraw/zinc/59/83/47/836598347.db2.gz PZQNTGZNCFRNJP-OAHLLOKOSA-N 2 2 347.463 0.483 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001267012486 836614167 /nfs/dbraw/zinc/61/41/67/836614167.db2.gz PQZUAPWDWBUOKL-CABCVRRESA-N 2 2 345.447 0.255 20 30 ECEDLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)CC#Cc2ccccc2)C1 ZINC001267231268 837034701 /nfs/dbraw/zinc/03/47/01/837034701.db2.gz TXBITHCBEGKPQC-SFHVURJKSA-N 2 2 329.444 0.807 20 30 ECEDLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)CC#Cc2ccccc2)C1 ZINC001267231268 837034712 /nfs/dbraw/zinc/03/47/12/837034712.db2.gz TXBITHCBEGKPQC-SFHVURJKSA-N 2 2 329.444 0.807 20 30 ECEDLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)CC#Cc2ccccc2)C1 ZINC001267231268 837034722 /nfs/dbraw/zinc/03/47/22/837034722.db2.gz TXBITHCBEGKPQC-SFHVURJKSA-N 2 2 329.444 0.807 20 30 ECEDLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)CC#Cc2ccccc2)C1 ZINC001267231268 837034733 /nfs/dbraw/zinc/03/47/33/837034733.db2.gz TXBITHCBEGKPQC-SFHVURJKSA-N 2 2 329.444 0.807 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001267326668 837204773 /nfs/dbraw/zinc/20/47/73/837204773.db2.gz XXWZOXJHSPHDID-NVXWUHKLSA-N 2 2 348.491 0.578 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001267326668 837204781 /nfs/dbraw/zinc/20/47/81/837204781.db2.gz XXWZOXJHSPHDID-NVXWUHKLSA-N 2 2 348.491 0.578 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001267326668 837204791 /nfs/dbraw/zinc/20/47/91/837204791.db2.gz XXWZOXJHSPHDID-NVXWUHKLSA-N 2 2 348.491 0.578 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001267326668 837204798 /nfs/dbraw/zinc/20/47/98/837204798.db2.gz XXWZOXJHSPHDID-NVXWUHKLSA-N 2 2 348.491 0.578 20 30 ECEDLP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001267407885 837378467 /nfs/dbraw/zinc/37/84/67/837378467.db2.gz UYPAHFQWJYWBRT-CVEARBPZSA-N 2 2 325.453 0.490 20 30 ECEDLP C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001267739679 838438419 /nfs/dbraw/zinc/43/84/19/838438419.db2.gz ICCXJFLYWFQHDK-UHFFFAOYSA-N 2 2 345.447 0.193 20 30 ECEDLP C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001267739679 838438422 /nfs/dbraw/zinc/43/84/22/838438422.db2.gz ICCXJFLYWFQHDK-UHFFFAOYSA-N 2 2 345.447 0.193 20 30 ECEDLP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001267811230 838594991 /nfs/dbraw/zinc/59/49/91/838594991.db2.gz QSNWTESZSSHWJC-UONOGXRCSA-N 2 2 333.436 0.232 20 30 ECEDLP CNC(=O)CC1CCN(C(NCc2c[nH+]c(N(C)C)n2C)=[NH+]C)CC1 ZINC000261750865 436886636 /nfs/dbraw/zinc/88/66/36/436886636.db2.gz LTGIFVYLLGRRMA-UHFFFAOYSA-N 2 2 349.483 0.410 20 30 ECEDLP C[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261958213 436898559 /nfs/dbraw/zinc/89/85/59/436898559.db2.gz JJKGFDSXXDYBMT-JSGCOSHPSA-N 2 2 330.440 0.979 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262801424 436941573 /nfs/dbraw/zinc/94/15/73/436941573.db2.gz QZELUFOLXDULSC-ZDUSSCGKSA-N 2 2 344.467 0.785 20 30 ECEDLP COc1ccc(N2CC[NH+](CCNC(=[NH2+])N3CCOCC3)CC2)cc1 ZINC000264065575 437015727 /nfs/dbraw/zinc/01/57/27/437015727.db2.gz BAECQULAEIIBLG-UHFFFAOYSA-N 2 2 347.463 0.464 20 30 ECEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1)C(C)C ZINC000284124680 437041580 /nfs/dbraw/zinc/04/15/80/437041580.db2.gz WPAQZTVLQZXUJQ-INIZCTEOSA-N 2 2 347.463 0.814 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000286369997 437091233 /nfs/dbraw/zinc/09/12/33/437091233.db2.gz CJQGNSSGISQDGC-UHFFFAOYSA-N 2 2 345.447 0.882 20 30 ECEDLP CN(CC[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](C)CC1 ZINC000177380536 437180204 /nfs/dbraw/zinc/18/02/04/437180204.db2.gz BQORYHZZYWCXBO-GOSISDBHSA-N 2 2 335.496 0.753 20 30 ECEDLP CN(CC[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](C)CC1 ZINC000177380536 437180208 /nfs/dbraw/zinc/18/02/08/437180208.db2.gz BQORYHZZYWCXBO-GOSISDBHSA-N 2 2 335.496 0.753 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000177380536 437180212 /nfs/dbraw/zinc/18/02/12/437180212.db2.gz BQORYHZZYWCXBO-GOSISDBHSA-N 2 2 335.496 0.753 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000177380536 437180216 /nfs/dbraw/zinc/18/02/16/437180216.db2.gz BQORYHZZYWCXBO-GOSISDBHSA-N 2 2 335.496 0.753 20 30 ECEDLP N#Cc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000178905860 437237035 /nfs/dbraw/zinc/23/70/35/437237035.db2.gz CYPRQZQCCQOZDW-ZDUSSCGKSA-N 2 2 334.445 0.642 20 30 ECEDLP Cn1ccc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000328956756 437293287 /nfs/dbraw/zinc/29/32/87/437293287.db2.gz JHGHPBYHQKQQGM-UHFFFAOYSA-N 2 2 334.468 0.982 20 30 ECEDLP C=CCNC(=O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000180605672 437297246 /nfs/dbraw/zinc/29/72/46/437297246.db2.gz GMOGZSSQWHPJOE-UHFFFAOYSA-N 2 2 337.468 0.146 20 30 ECEDLP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000329496414 437376916 /nfs/dbraw/zinc/37/69/16/437376916.db2.gz JABXZBMXONDNOA-GOEBONIOSA-N 2 2 334.468 0.964 20 30 ECEDLP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[NH+](C)CC2)CCC[N@H+]1C ZINC000329496414 437376920 /nfs/dbraw/zinc/37/69/20/437376920.db2.gz JABXZBMXONDNOA-GOEBONIOSA-N 2 2 334.468 0.964 20 30 ECEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329503069 437377046 /nfs/dbraw/zinc/37/70/46/437377046.db2.gz AMDANNOHJBZKMD-BZUAXINKSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000329814366 437416001 /nfs/dbraw/zinc/41/60/01/437416001.db2.gz DDSDVXPTQJQGJR-RHSMWYFYSA-N 2 2 346.479 0.934 20 30 ECEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000329814366 437416004 /nfs/dbraw/zinc/41/60/04/437416004.db2.gz DDSDVXPTQJQGJR-RHSMWYFYSA-N 2 2 346.479 0.934 20 30 ECEDLP C[C@H](CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)C[NH+]1CCN(C)CC1 ZINC000329892924 437426855 /nfs/dbraw/zinc/42/68/55/437426855.db2.gz AMYDQSXAYAYDSF-HZPDHXFCSA-N 2 2 348.495 0.833 20 30 ECEDLP C[C@H](C[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1)C[NH+]1CCN(C)CC1 ZINC000329892924 437426860 /nfs/dbraw/zinc/42/68/60/437426860.db2.gz AMYDQSXAYAYDSF-HZPDHXFCSA-N 2 2 348.495 0.833 20 30 ECEDLP CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000329644643 437395316 /nfs/dbraw/zinc/39/53/16/437395316.db2.gz JDYCOIAYCQJEKT-CYBMUJFWSA-N 2 2 344.481 0.193 20 30 ECEDLP CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000329644643 437395318 /nfs/dbraw/zinc/39/53/18/437395318.db2.gz JDYCOIAYCQJEKT-CYBMUJFWSA-N 2 2 344.481 0.193 20 30 ECEDLP C=CCc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc(OC)c1O ZINC000347111447 437835987 /nfs/dbraw/zinc/83/59/87/437835987.db2.gz QKFCUTCRVPFSCF-UHFFFAOYSA-N 2 2 333.432 0.993 20 30 ECEDLP C=CCc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc(OC)c1O ZINC000347111447 437835996 /nfs/dbraw/zinc/83/59/96/437835996.db2.gz QKFCUTCRVPFSCF-UHFFFAOYSA-N 2 2 333.432 0.993 20 30 ECEDLP C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CC[NH+](CCO)CC1 ZINC000357643640 438032990 /nfs/dbraw/zinc/03/29/90/438032990.db2.gz GKCWCSDUYIINLQ-QGZVFWFLSA-N 2 2 333.432 0.686 20 30 ECEDLP C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CC[NH+](CCO)CC1 ZINC000357643640 438032996 /nfs/dbraw/zinc/03/29/96/438032996.db2.gz GKCWCSDUYIINLQ-QGZVFWFLSA-N 2 2 333.432 0.686 20 30 ECEDLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000374297068 438201979 /nfs/dbraw/zinc/20/19/79/438201979.db2.gz YHGTWVUKDZNORO-UHFFFAOYSA-N 2 2 327.432 0.713 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(CCC#N)CC3)C2)CC1 ZINC000601574193 438933728 /nfs/dbraw/zinc/93/37/28/438933728.db2.gz JCLHCIGWGDLUGQ-INIZCTEOSA-N 2 2 348.495 0.396 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(CCC#N)CC3)C2)CC1 ZINC000601574193 438933730 /nfs/dbraw/zinc/93/37/30/438933730.db2.gz JCLHCIGWGDLUGQ-INIZCTEOSA-N 2 2 348.495 0.396 20 30 ECEDLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592150461 439166949 /nfs/dbraw/zinc/16/69/49/439166949.db2.gz CXRAQABRKQMKPF-WMZOPIPTSA-N 2 2 330.432 0.756 20 30 ECEDLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592150461 439166952 /nfs/dbraw/zinc/16/69/52/439166952.db2.gz CXRAQABRKQMKPF-WMZOPIPTSA-N 2 2 330.432 0.756 20 30 ECEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149476 439167738 /nfs/dbraw/zinc/16/77/38/439167738.db2.gz PQTUHFIWEYAPAK-CRAIPNDOSA-N 2 2 343.431 0.469 20 30 ECEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149476 439167742 /nfs/dbraw/zinc/16/77/42/439167742.db2.gz PQTUHFIWEYAPAK-CRAIPNDOSA-N 2 2 343.431 0.469 20 30 ECEDLP C[NH+](C)CCN1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000593051478 439334141 /nfs/dbraw/zinc/33/41/41/439334141.db2.gz NZPICDCJRVMCJR-INIZCTEOSA-N 2 2 346.431 0.004 20 30 ECEDLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1=O ZINC000593051478 439334145 /nfs/dbraw/zinc/33/41/45/439334145.db2.gz NZPICDCJRVMCJR-INIZCTEOSA-N 2 2 346.431 0.004 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000490740221 439293838 /nfs/dbraw/zinc/29/38/38/439293838.db2.gz JQBNKQKZEQUBQR-UHFFFAOYSA-N 3 2 332.492 0.572 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000491295284 439362304 /nfs/dbraw/zinc/36/23/04/439362304.db2.gz GIXJDBMZGDUIBY-RCCFBDPRSA-N 2 2 333.476 0.779 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000491295284 439362305 /nfs/dbraw/zinc/36/23/05/439362305.db2.gz GIXJDBMZGDUIBY-RCCFBDPRSA-N 2 2 333.476 0.779 20 30 ECEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC000536342007 439537466 /nfs/dbraw/zinc/53/74/66/439537466.db2.gz YPYSUTJJOFVPMC-CYBMUJFWSA-N 2 2 347.467 0.281 20 30 ECEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC000536342007 439537471 /nfs/dbraw/zinc/53/74/71/439537471.db2.gz YPYSUTJJOFVPMC-CYBMUJFWSA-N 2 2 347.467 0.281 20 30 ECEDLP C[NH2+]CCOCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599934004 439577055 /nfs/dbraw/zinc/57/70/55/439577055.db2.gz AKGDKRMBIWFMSN-UHFFFAOYSA-N 2 2 345.447 0.621 20 30 ECEDLP Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000595126418 439657985 /nfs/dbraw/zinc/65/79/85/439657985.db2.gz WXTVUALVWXRUNZ-UHFFFAOYSA-N 2 2 345.447 0.805 20 30 ECEDLP Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000595126418 439657989 /nfs/dbraw/zinc/65/79/89/439657989.db2.gz WXTVUALVWXRUNZ-UHFFFAOYSA-N 2 2 345.447 0.805 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000595126173 439658630 /nfs/dbraw/zinc/65/86/30/439658630.db2.gz VJJOAAORTBWOAS-UHFFFAOYSA-N 2 2 349.410 0.636 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000595126173 439658633 /nfs/dbraw/zinc/65/86/33/439658633.db2.gz VJJOAAORTBWOAS-UHFFFAOYSA-N 2 2 349.410 0.636 20 30 ECEDLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)COc2ccccc2C#N)n1C ZINC000600724662 439696133 /nfs/dbraw/zinc/69/61/33/439696133.db2.gz HBKXEQMAZIDPCG-OAHLLOKOSA-N 2 2 329.404 0.887 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)CCOCC1 ZINC000600741209 439697227 /nfs/dbraw/zinc/69/72/27/439697227.db2.gz CLBYYYNEKPKHIG-HZPDHXFCSA-N 2 2 325.453 0.494 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)CCOCC1 ZINC000600741209 439697230 /nfs/dbraw/zinc/69/72/30/439697230.db2.gz CLBYYYNEKPKHIG-HZPDHXFCSA-N 2 2 325.453 0.494 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CCOCC1 ZINC000600741627 439697583 /nfs/dbraw/zinc/69/75/83/439697583.db2.gz GCJJQTJRSJTRSO-HZPDHXFCSA-N 2 2 325.453 0.494 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCC[N@H+](CCCO)C2)CCOCC1 ZINC000600741627 439697586 /nfs/dbraw/zinc/69/75/86/439697586.db2.gz GCJJQTJRSJTRSO-HZPDHXFCSA-N 2 2 325.453 0.494 20 30 ECEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)CC[NH+]3CCOCC3)CC2)cc1 ZINC000750852406 579359549 /nfs/dbraw/zinc/35/95/49/579359549.db2.gz JSFLEOKYZKOENA-UHFFFAOYSA-N 2 2 342.443 0.925 20 30 ECEDLP S=C(NCCC[NH+]1CCOCC1)NN=C1CC[N@@H+]2CCC[C@H]12 ZINC000765556403 579068870 /nfs/dbraw/zinc/06/88/70/579068870.db2.gz MMOKHUXPCLQHTA-CQSZACIVSA-N 2 2 325.482 0.397 20 30 ECEDLP S=C(NCCC[NH+]1CCOCC1)NN=C1CC[N@H+]2CCC[C@H]12 ZINC000765556403 579068871 /nfs/dbraw/zinc/06/88/71/579068871.db2.gz MMOKHUXPCLQHTA-CQSZACIVSA-N 2 2 325.482 0.397 20 30 ECEDLP C#C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000776232974 579278381 /nfs/dbraw/zinc/27/83/81/579278381.db2.gz UUOCCRAZKSPHTD-DLBZAZTESA-N 2 2 336.480 0.835 20 30 ECEDLP C#C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000776232974 579278382 /nfs/dbraw/zinc/27/83/82/579278382.db2.gz UUOCCRAZKSPHTD-DLBZAZTESA-N 2 2 336.480 0.835 20 30 ECEDLP CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000779792818 579320827 /nfs/dbraw/zinc/32/08/27/579320827.db2.gz UQTRLXFTGMXZGH-GFCCVEGCSA-N 2 2 331.420 0.886 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000746462354 579839643 /nfs/dbraw/zinc/83/96/43/579839643.db2.gz AQABZEMNUGPEQE-UHFFFAOYSA-N 2 2 344.459 0.498 20 30 ECEDLP CON=C(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1csc(N)n1 ZINC000824438424 587874936 /nfs/dbraw/zinc/87/49/36/587874936.db2.gz QEIWLTKVONONJH-UHFFFAOYSA-N 2 2 342.469 0.076 20 30 ECEDLP CON=C(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1csc(N)n1 ZINC000824438424 587874938 /nfs/dbraw/zinc/87/49/38/587874938.db2.gz QEIWLTKVONONJH-UHFFFAOYSA-N 2 2 342.469 0.076 20 30 ECEDLP C[NH+]=C(NCc1ccco1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849110476 589320339 /nfs/dbraw/zinc/32/03/39/589320339.db2.gz ZJSSDAYUXSSKPU-UHFFFAOYSA-N 2 2 336.436 0.826 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262092 590380545 /nfs/dbraw/zinc/38/05/45/590380545.db2.gz SVRCHIMVPMFLIX-ZIAGYGMSSA-N 2 2 331.420 0.992 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262092 590380548 /nfs/dbraw/zinc/38/05/48/590380548.db2.gz SVRCHIMVPMFLIX-ZIAGYGMSSA-N 2 2 331.420 0.992 20 30 ECEDLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877433806 590465096 /nfs/dbraw/zinc/46/50/96/590465096.db2.gz JORGKHNCARJYTD-SJLPKXTDSA-N 2 2 342.443 0.972 20 30 ECEDLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877433806 590465099 /nfs/dbraw/zinc/46/50/99/590465099.db2.gz JORGKHNCARJYTD-SJLPKXTDSA-N 2 2 342.443 0.972 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000884201352 590771167 /nfs/dbraw/zinc/77/11/67/590771167.db2.gz WDDWQYWGGRTIGN-XGUBFFRZSA-N 2 2 325.453 0.916 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000884201352 590771171 /nfs/dbraw/zinc/77/11/71/590771171.db2.gz WDDWQYWGGRTIGN-XGUBFFRZSA-N 2 2 325.453 0.916 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21 ZINC000884232490 590783995 /nfs/dbraw/zinc/78/39/95/590783995.db2.gz SRRHEXSBQKJKAK-KGLIPLIRSA-N 2 2 347.415 0.789 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000884273108 590793100 /nfs/dbraw/zinc/79/31/00/590793100.db2.gz JLZBRVNBPLSBBP-DLBZAZTESA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000884273108 590793106 /nfs/dbraw/zinc/79/31/06/590793106.db2.gz JLZBRVNBPLSBBP-DLBZAZTESA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000884273108 590793111 /nfs/dbraw/zinc/79/31/11/590793111.db2.gz JLZBRVNBPLSBBP-DLBZAZTESA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000884273108 590793115 /nfs/dbraw/zinc/79/31/15/590793115.db2.gz JLZBRVNBPLSBBP-DLBZAZTESA-N 2 2 335.496 0.409 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000887133283 590946818 /nfs/dbraw/zinc/94/68/18/590946818.db2.gz YABDFKLRIUQNGE-QGZVFWFLSA-N 2 2 341.459 0.370 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)CC1 ZINC000887133283 590946820 /nfs/dbraw/zinc/94/68/20/590946820.db2.gz YABDFKLRIUQNGE-QGZVFWFLSA-N 2 2 341.459 0.370 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926142174 611518969 /nfs/dbraw/zinc/51/89/69/611518969.db2.gz NYMZHIBPUQAQCQ-FSNPWBFUSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926142174 611518970 /nfs/dbraw/zinc/51/89/70/611518970.db2.gz NYMZHIBPUQAQCQ-FSNPWBFUSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[NH+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926142174 611518971 /nfs/dbraw/zinc/51/89/71/611518971.db2.gz NYMZHIBPUQAQCQ-FSNPWBFUSA-N 2 2 333.476 0.680 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@]2(C[NH+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926142174 611518972 /nfs/dbraw/zinc/51/89/72/611518972.db2.gz NYMZHIBPUQAQCQ-FSNPWBFUSA-N 2 2 333.476 0.680 20 30 ECEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CO[NH+]=C(N)C2CCCC2)C1 ZINC000178139250 608948714 /nfs/dbraw/zinc/94/87/14/608948714.db2.gz PARINWXUGWXWNV-OAHLLOKOSA-N 2 2 340.468 0.938 20 30 ECEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CO[NH+]=C(N)C2CCCC2)C1 ZINC000178139250 608948716 /nfs/dbraw/zinc/94/87/16/608948716.db2.gz PARINWXUGWXWNV-OAHLLOKOSA-N 2 2 340.468 0.938 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000907836205 609625081 /nfs/dbraw/zinc/62/50/81/609625081.db2.gz JYJRQYHVMXSDNR-UHFFFAOYSA-N 2 2 330.432 0.976 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000907836205 609625082 /nfs/dbraw/zinc/62/50/82/609625082.db2.gz JYJRQYHVMXSDNR-UHFFFAOYSA-N 2 2 330.432 0.976 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000920462351 609683738 /nfs/dbraw/zinc/68/37/38/609683738.db2.gz RTQGGKVPEJHZRA-QGZVFWFLSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000949451074 611985679 /nfs/dbraw/zinc/98/56/79/611985679.db2.gz RZOYBHPRXKFZSJ-KRWDZBQOSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000949451074 611985682 /nfs/dbraw/zinc/98/56/82/611985682.db2.gz RZOYBHPRXKFZSJ-KRWDZBQOSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)CC2)C1 ZINC000949451074 611985684 /nfs/dbraw/zinc/98/56/84/611985684.db2.gz RZOYBHPRXKFZSJ-KRWDZBQOSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)CC2)C1 ZINC000949451074 611985686 /nfs/dbraw/zinc/98/56/86/611985686.db2.gz RZOYBHPRXKFZSJ-KRWDZBQOSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000950431667 612016800 /nfs/dbraw/zinc/01/68/00/612016800.db2.gz GYRYWGGZDAVNTP-OAHLLOKOSA-N 2 2 343.431 0.015 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001024987834 738462314 /nfs/dbraw/zinc/46/23/14/738462314.db2.gz WKEMAOSVKWIJKT-CVEARBPZSA-N 2 2 331.420 0.638 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001024987834 738462319 /nfs/dbraw/zinc/46/23/19/738462319.db2.gz WKEMAOSVKWIJKT-CVEARBPZSA-N 2 2 331.420 0.638 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1=O ZINC000970484612 733602428 /nfs/dbraw/zinc/60/24/28/733602428.db2.gz KNIHLVLYKNUMJQ-KGLIPLIRSA-N 2 2 345.447 0.665 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CC2(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC001167528760 735571954 /nfs/dbraw/zinc/57/19/54/735571954.db2.gz JDIAJLNALZPPEA-AWEZNQCLSA-N 2 2 345.447 0.615 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC000972434599 736186375 /nfs/dbraw/zinc/18/63/75/736186375.db2.gz XPUMCCSGWJWCPP-LSDHHAIUSA-N 2 2 331.420 0.272 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC000972434599 736186376 /nfs/dbraw/zinc/18/63/76/736186376.db2.gz XPUMCCSGWJWCPP-LSDHHAIUSA-N 2 2 331.420 0.272 20 30 ECEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149134180 737243188 /nfs/dbraw/zinc/24/31/88/737243188.db2.gz FYKPWMIVOKPGNN-AWEZNQCLSA-N 2 2 335.452 0.780 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001024285924 737872957 /nfs/dbraw/zinc/87/29/57/737872957.db2.gz OYLDPUGYQPKRGW-HZPDHXFCSA-N 2 2 345.447 0.498 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)nn1 ZINC001105268427 741610507 /nfs/dbraw/zinc/61/05/07/741610507.db2.gz NKDPBSVODSOOPC-RDJZCZTQSA-N 2 2 342.447 0.401 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268427 741610511 /nfs/dbraw/zinc/61/05/11/741610511.db2.gz NKDPBSVODSOOPC-RDJZCZTQSA-N 2 2 342.447 0.401 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)nn1 ZINC001105268428 741610794 /nfs/dbraw/zinc/61/07/94/741610794.db2.gz NKDPBSVODSOOPC-WBVHZDCISA-N 2 2 342.447 0.401 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)nn1 ZINC001105268428 741610796 /nfs/dbraw/zinc/61/07/96/741610796.db2.gz NKDPBSVODSOOPC-WBVHZDCISA-N 2 2 342.447 0.401 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3cnon3)C2)CC1 ZINC001029001627 743153308 /nfs/dbraw/zinc/15/33/08/743153308.db2.gz ACZQGDXTLXBCEQ-AWEZNQCLSA-N 2 2 331.420 0.353 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnon3)C2)CC1 ZINC001029001627 743153319 /nfs/dbraw/zinc/15/33/19/743153319.db2.gz ACZQGDXTLXBCEQ-AWEZNQCLSA-N 2 2 331.420 0.353 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3ncccn3)C2)CC1 ZINC001029003000 743155307 /nfs/dbraw/zinc/15/53/07/743155307.db2.gz GKWFRLHIORKWFF-INIZCTEOSA-N 2 2 341.459 0.760 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ncccn3)C2)CC1 ZINC001029003000 743155310 /nfs/dbraw/zinc/15/53/10/743155310.db2.gz GKWFRLHIORKWFF-INIZCTEOSA-N 2 2 341.459 0.760 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)o2)C1 ZINC000998922509 744407420 /nfs/dbraw/zinc/40/74/20/744407420.db2.gz GXMCSASBGLMYKZ-NRXISQOPSA-N 2 2 331.420 0.555 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)o2)C1 ZINC000998922509 744407421 /nfs/dbraw/zinc/40/74/21/744407421.db2.gz GXMCSASBGLMYKZ-NRXISQOPSA-N 2 2 331.420 0.555 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001000691610 745704028 /nfs/dbraw/zinc/70/40/28/745704028.db2.gz ABJOFSNNIJDBKD-ZBFHGGJFSA-N 2 2 345.447 0.330 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001001052914 746019667 /nfs/dbraw/zinc/01/96/67/746019667.db2.gz QICAVUCHRBEDTO-HUUCEWRRSA-N 2 2 331.420 0.251 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)[C@@H]2CC)CC1 ZINC001087840210 746464363 /nfs/dbraw/zinc/46/43/63/746464363.db2.gz MBEIRPNWCSZTRG-DLBZAZTESA-N 2 2 345.447 0.884 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)[C@@H]2CC)CC1 ZINC001087840210 746464366 /nfs/dbraw/zinc/46/43/66/746464366.db2.gz MBEIRPNWCSZTRG-DLBZAZTESA-N 2 2 345.447 0.884 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001098715422 747133782 /nfs/dbraw/zinc/13/37/82/747133782.db2.gz GAIJDFQEABSNHC-IAGOWNOFSA-N 2 2 346.479 0.751 20 30 ECEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088052787 747159396 /nfs/dbraw/zinc/15/93/96/747159396.db2.gz IEASYPGBKAUHDB-FGTMMUONSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088052787 747159398 /nfs/dbraw/zinc/15/93/98/747159398.db2.gz IEASYPGBKAUHDB-FGTMMUONSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088052787 747159402 /nfs/dbraw/zinc/15/94/02/747159402.db2.gz IEASYPGBKAUHDB-FGTMMUONSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088052787 747159404 /nfs/dbraw/zinc/15/94/04/747159404.db2.gz IEASYPGBKAUHDB-FGTMMUONSA-N 2 2 333.476 0.901 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)CCCn3cc[nH+]c3C)C2)nn1 ZINC001105344380 748334631 /nfs/dbraw/zinc/33/46/31/748334631.db2.gz ZYUWKFUFYBWANW-UHFFFAOYSA-N 2 2 343.435 0.922 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000980894629 750316208 /nfs/dbraw/zinc/31/62/08/750316208.db2.gz WPUGCRHVDDGWQP-SFHVURJKSA-N 2 2 342.443 0.923 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000980894629 750316216 /nfs/dbraw/zinc/31/62/16/750316216.db2.gz WPUGCRHVDDGWQP-SFHVURJKSA-N 2 2 342.443 0.923 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](Cc3cccc(C#N)c3)CC2)C1 ZINC000980894629 750316222 /nfs/dbraw/zinc/31/62/22/750316222.db2.gz WPUGCRHVDDGWQP-SFHVURJKSA-N 2 2 342.443 0.923 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)C1 ZINC000980894629 750316229 /nfs/dbraw/zinc/31/62/29/750316229.db2.gz WPUGCRHVDDGWQP-SFHVURJKSA-N 2 2 342.443 0.923 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCn2cccn2)CC1 ZINC000981365127 750628264 /nfs/dbraw/zinc/62/82/64/750628264.db2.gz IGDDJJNEMORJKV-KRWDZBQOSA-N 2 2 329.448 0.515 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCn2cccn2)CC1 ZINC000981365127 750628266 /nfs/dbraw/zinc/62/82/66/750628266.db2.gz IGDDJJNEMORJKV-KRWDZBQOSA-N 2 2 329.448 0.515 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCn2cccn2)CC1 ZINC000981365127 750628267 /nfs/dbraw/zinc/62/82/67/750628267.db2.gz IGDDJJNEMORJKV-KRWDZBQOSA-N 2 2 329.448 0.515 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCn2cccn2)CC1 ZINC000981365127 750628270 /nfs/dbraw/zinc/62/82/70/750628270.db2.gz IGDDJJNEMORJKV-KRWDZBQOSA-N 2 2 329.448 0.515 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC001007519145 752475996 /nfs/dbraw/zinc/47/59/96/752475996.db2.gz JFFJTVPHPPIHOV-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC001007519145 752475998 /nfs/dbraw/zinc/47/59/98/752475998.db2.gz JFFJTVPHPPIHOV-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCCC2=O)C1 ZINC001007519145 752476000 /nfs/dbraw/zinc/47/60/00/752476000.db2.gz JFFJTVPHPPIHOV-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCN2CCCC2=O)C1 ZINC001007519145 752476002 /nfs/dbraw/zinc/47/60/02/752476002.db2.gz JFFJTVPHPPIHOV-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001028465469 752754799 /nfs/dbraw/zinc/75/47/99/752754799.db2.gz LATJIZRDVUWHAL-MAUKXSAKSA-N 2 2 342.443 0.827 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001028465469 752754802 /nfs/dbraw/zinc/75/48/02/752754802.db2.gz LATJIZRDVUWHAL-MAUKXSAKSA-N 2 2 342.443 0.827 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001028465469 752754809 /nfs/dbraw/zinc/75/48/09/752754809.db2.gz LATJIZRDVUWHAL-MAUKXSAKSA-N 2 2 342.443 0.827 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001028465469 752754813 /nfs/dbraw/zinc/75/48/13/752754813.db2.gz LATJIZRDVUWHAL-MAUKXSAKSA-N 2 2 342.443 0.827 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)nn1 ZINC001105376925 754065521 /nfs/dbraw/zinc/06/55/21/754065521.db2.gz LMGCZFLINJVTFW-QGZVFWFLSA-N 2 2 344.463 0.505 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cn3cc[nH+]c3C)CC2)C1=O ZINC000989672852 754297717 /nfs/dbraw/zinc/29/77/17/754297717.db2.gz AWYZURYZZITBAO-MRXNPFEDSA-N 2 2 345.447 0.513 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cn3cc[nH+]c3C)CC2)C1=O ZINC000989672852 754297724 /nfs/dbraw/zinc/29/77/24/754297724.db2.gz AWYZURYZZITBAO-MRXNPFEDSA-N 2 2 345.447 0.513 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnsn3)C[C@@H]2C)CC1 ZINC000989829599 754483390 /nfs/dbraw/zinc/48/33/90/754483390.db2.gz UPPHJPHROMGNHW-DZGCQCFKSA-N 2 2 347.488 0.962 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncc(C)o3)C[C@@H]2C1 ZINC001048868713 757234359 /nfs/dbraw/zinc/23/43/59/757234359.db2.gz JYZFUSRMYGGOFO-BBWFWOEESA-N 2 2 342.443 0.971 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncc(C)o3)C[C@@H]2C1 ZINC001048868713 757234365 /nfs/dbraw/zinc/23/43/65/757234365.db2.gz JYZFUSRMYGGOFO-BBWFWOEESA-N 2 2 342.443 0.971 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncc(C)o3)C[C@@H]2C1 ZINC001048868713 757234371 /nfs/dbraw/zinc/23/43/71/757234371.db2.gz JYZFUSRMYGGOFO-BBWFWOEESA-N 2 2 342.443 0.971 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncc(C)o3)C[C@@H]2C1 ZINC001048868713 757234378 /nfs/dbraw/zinc/23/43/78/757234378.db2.gz JYZFUSRMYGGOFO-BBWFWOEESA-N 2 2 342.443 0.971 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)CC[C@H]3CCC[N@H+]3C)nn2)C1 ZINC001107180547 757302142 /nfs/dbraw/zinc/30/21/42/757302142.db2.gz YOJYMCBWIZNJAN-MRXNPFEDSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)CC[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107180547 757302152 /nfs/dbraw/zinc/30/21/52/757302152.db2.gz YOJYMCBWIZNJAN-MRXNPFEDSA-N 2 2 344.463 0.649 20 30 ECEDLP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3COCC[N@H+]3CCCC)C[C@H]2C1 ZINC001048960650 757522657 /nfs/dbraw/zinc/52/26/57/757522657.db2.gz HSHQDMBACQGICR-FGTMMUONSA-N 2 2 333.476 0.901 20 30 ECEDLP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001048960650 757522666 /nfs/dbraw/zinc/52/26/66/757522666.db2.gz HSHQDMBACQGICR-FGTMMUONSA-N 2 2 333.476 0.901 20 30 ECEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCC[NH+]3CCCC)C[C@H]2C1 ZINC001048960650 757522673 /nfs/dbraw/zinc/52/26/73/757522673.db2.gz HSHQDMBACQGICR-FGTMMUONSA-N 2 2 333.476 0.901 20 30 ECEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCC[NH+]3CCCC)C[C@H]2C1 ZINC001048960650 757522680 /nfs/dbraw/zinc/52/26/80/757522680.db2.gz HSHQDMBACQGICR-FGTMMUONSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001022220481 758440019 /nfs/dbraw/zinc/44/00/19/758440019.db2.gz GGAZLAMZCSBOAH-KBXIAJHMSA-N 2 2 330.436 0.211 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001022220481 758440022 /nfs/dbraw/zinc/44/00/22/758440022.db2.gz GGAZLAMZCSBOAH-KBXIAJHMSA-N 2 2 330.436 0.211 20 30 ECEDLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077237420 758570705 /nfs/dbraw/zinc/57/07/05/758570705.db2.gz JHDKHGLGAYUFAN-KZNAEPCWSA-N 2 2 342.443 0.704 20 30 ECEDLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077237420 758570710 /nfs/dbraw/zinc/57/07/10/758570710.db2.gz JHDKHGLGAYUFAN-KZNAEPCWSA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077237420 758570713 /nfs/dbraw/zinc/57/07/13/758570713.db2.gz JHDKHGLGAYUFAN-KZNAEPCWSA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077237420 758570717 /nfs/dbraw/zinc/57/07/17/758570717.db2.gz JHDKHGLGAYUFAN-KZNAEPCWSA-N 2 2 342.443 0.704 20 30 ECEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782703 760468779 /nfs/dbraw/zinc/46/87/79/760468779.db2.gz HWLNQNKIGZXQPP-CVEARBPZSA-N 2 2 334.420 0.621 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782703 760468783 /nfs/dbraw/zinc/46/87/83/760468783.db2.gz HWLNQNKIGZXQPP-CVEARBPZSA-N 2 2 334.420 0.621 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000995926509 760788709 /nfs/dbraw/zinc/78/87/09/760788709.db2.gz WAGOOJOIWIVONJ-JKSUJKDBSA-N 2 2 344.463 0.239 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nn2)C(C)(C)C1 ZINC000995926509 760788721 /nfs/dbraw/zinc/78/87/21/760788721.db2.gz WAGOOJOIWIVONJ-JKSUJKDBSA-N 2 2 344.463 0.239 20 30 ECEDLP N#Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001051848026 763100565 /nfs/dbraw/zinc/10/05/65/763100565.db2.gz IKQGNLMJVOCXAB-QGZVFWFLSA-N 2 2 339.399 0.841 20 30 ECEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)cc1 ZINC001051848302 763101844 /nfs/dbraw/zinc/10/18/44/763101844.db2.gz ORRXLTGBFKYKKO-QGZVFWFLSA-N 2 2 339.399 0.841 20 30 ECEDLP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001052059261 763736038 /nfs/dbraw/zinc/73/60/38/763736038.db2.gz FRWQSWALPOYHAD-KRWDZBQOSA-N 2 2 329.448 0.515 20 30 ECEDLP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001052118077 763931581 /nfs/dbraw/zinc/93/15/81/763931581.db2.gz KMAGAOHGDLZYRC-QGZVFWFLSA-N 2 2 329.448 0.433 20 30 ECEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083778601 764302841 /nfs/dbraw/zinc/30/28/41/764302841.db2.gz RDEWFYXTZJHBPA-OLMNPRSZSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083778601 764302848 /nfs/dbraw/zinc/30/28/48/764302848.db2.gz RDEWFYXTZJHBPA-OLMNPRSZSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083778601 764302856 /nfs/dbraw/zinc/30/28/56/764302856.db2.gz RDEWFYXTZJHBPA-OLMNPRSZSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083778601 764302863 /nfs/dbraw/zinc/30/28/63/764302863.db2.gz RDEWFYXTZJHBPA-OLMNPRSZSA-N 2 2 342.443 0.704 20 30 ECEDLP O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1 ZINC001052990149 765468028 /nfs/dbraw/zinc/46/80/28/765468028.db2.gz MZEDKULYXIPMNQ-HDICACEKSA-N 2 2 331.460 0.532 20 30 ECEDLP O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1 ZINC001052990149 765468030 /nfs/dbraw/zinc/46/80/30/765468030.db2.gz MZEDKULYXIPMNQ-HDICACEKSA-N 2 2 331.460 0.532 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)O2 ZINC001053699356 766616963 /nfs/dbraw/zinc/61/69/63/766616963.db2.gz DFXLEENMCDQQAP-JKSUJKDBSA-N 2 2 337.464 0.633 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)O2 ZINC001053699356 766616966 /nfs/dbraw/zinc/61/69/66/766616966.db2.gz DFXLEENMCDQQAP-JKSUJKDBSA-N 2 2 337.464 0.633 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039290 766742754 /nfs/dbraw/zinc/74/27/54/766742754.db2.gz OYQVUEIRQXRYBP-IAGOWNOFSA-N 2 2 341.459 0.297 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039290 766742757 /nfs/dbraw/zinc/74/27/57/766742757.db2.gz OYQVUEIRQXRYBP-IAGOWNOFSA-N 2 2 341.459 0.297 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC001046040229 766745655 /nfs/dbraw/zinc/74/56/55/766745655.db2.gz HHCAROBGSDWAIY-IRXDYDNUSA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC001046040229 766745658 /nfs/dbraw/zinc/74/56/58/766745658.db2.gz HHCAROBGSDWAIY-IRXDYDNUSA-N 2 2 343.475 0.850 20 30 ECEDLP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001046080151 766915267 /nfs/dbraw/zinc/91/52/67/766915267.db2.gz ASAIVLJPZAGPFH-INIZCTEOSA-N 2 2 329.448 0.502 20 30 ECEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001106621589 768519890 /nfs/dbraw/zinc/51/98/90/768519890.db2.gz SUPOMQRVUKVZOP-UNEWFSDZSA-N 2 2 347.463 0.717 20 30 ECEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001106621589 768519895 /nfs/dbraw/zinc/51/98/95/768519895.db2.gz SUPOMQRVUKVZOP-UNEWFSDZSA-N 2 2 347.463 0.717 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704730 768693406 /nfs/dbraw/zinc/69/34/06/768693406.db2.gz AIFZUOHGYPUZJW-HZSPNIEDSA-N 2 2 333.436 0.327 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001018266443 769000648 /nfs/dbraw/zinc/00/06/48/769000648.db2.gz OJEVELVQIJQZBB-NCOADZHNSA-N 2 2 346.475 0.400 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001018266443 769000655 /nfs/dbraw/zinc/00/06/55/769000655.db2.gz OJEVELVQIJQZBB-NCOADZHNSA-N 2 2 346.475 0.400 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001018266443 769000662 /nfs/dbraw/zinc/00/06/62/769000662.db2.gz OJEVELVQIJQZBB-NCOADZHNSA-N 2 2 346.475 0.400 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001018266443 769000672 /nfs/dbraw/zinc/00/06/72/769000672.db2.gz OJEVELVQIJQZBB-NCOADZHNSA-N 2 2 346.475 0.400 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001018666065 769739283 /nfs/dbraw/zinc/73/92/83/769739283.db2.gz ZMEGXYZQLLJUDF-IRXDYDNUSA-N 2 2 328.416 0.579 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001018666065 769739293 /nfs/dbraw/zinc/73/92/93/769739293.db2.gz ZMEGXYZQLLJUDF-IRXDYDNUSA-N 2 2 328.416 0.579 20 30 ECEDLP N#Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001019518274 771400237 /nfs/dbraw/zinc/40/02/37/771400237.db2.gz GRHLDBCHZWARLN-SFHVURJKSA-N 2 2 342.443 0.971 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2csnn2)CC1 ZINC001045321617 775410861 /nfs/dbraw/zinc/41/08/61/775410861.db2.gz YQIGTBVTYBIMKW-INIZCTEOSA-N 2 2 347.488 0.964 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070080407 790533644 /nfs/dbraw/zinc/53/36/44/790533644.db2.gz CWIJMPGNDUYTMM-ZBFHGGJFSA-N 2 2 341.419 0.580 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070080407 790533654 /nfs/dbraw/zinc/53/36/54/790533654.db2.gz CWIJMPGNDUYTMM-ZBFHGGJFSA-N 2 2 341.419 0.580 20 30 ECEDLP C=CCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001070084529 790548156 /nfs/dbraw/zinc/54/81/56/790548156.db2.gz IASUFNDKZJJSAF-CABCVRRESA-N 2 2 329.408 0.470 20 30 ECEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001070084529 790548165 /nfs/dbraw/zinc/54/81/65/790548165.db2.gz IASUFNDKZJJSAF-CABCVRRESA-N 2 2 329.408 0.470 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001070975206 784287850 /nfs/dbraw/zinc/28/78/50/784287850.db2.gz HDPPIKCBUZZFKK-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001070975206 784287859 /nfs/dbraw/zinc/28/78/59/784287859.db2.gz HDPPIKCBUZZFKK-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001070975206 784287864 /nfs/dbraw/zinc/28/78/64/784287864.db2.gz HDPPIKCBUZZFKK-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001070975206 784287872 /nfs/dbraw/zinc/28/78/72/784287872.db2.gz HDPPIKCBUZZFKK-MRXNPFEDSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CC[NH+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001070601765 784419216 /nfs/dbraw/zinc/41/92/16/784419216.db2.gz UOUPCKUWXLFOOD-ARFHVFGLSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[NH+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001070601765 784419222 /nfs/dbraw/zinc/41/92/22/784419222.db2.gz UOUPCKUWXLFOOD-ARFHVFGLSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCC[NH+]2C)n1 ZINC001070601765 784419228 /nfs/dbraw/zinc/41/92/28/784419228.db2.gz UOUPCKUWXLFOOD-ARFHVFGLSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@H]2CCC[NH+]2C)n1 ZINC001070601765 784419232 /nfs/dbraw/zinc/41/92/32/784419232.db2.gz UOUPCKUWXLFOOD-ARFHVFGLSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001070674494 784533139 /nfs/dbraw/zinc/53/31/39/784533139.db2.gz QGYUEGPFYMCNEL-HUUCEWRRSA-N 2 2 326.404 0.224 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664491 786911038 /nfs/dbraw/zinc/91/10/38/786911038.db2.gz HPRBXRGWDFNEEQ-NVXWUHKLSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664491 786911049 /nfs/dbraw/zinc/91/10/49/786911049.db2.gz HPRBXRGWDFNEEQ-NVXWUHKLSA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001073772585 787174228 /nfs/dbraw/zinc/17/42/28/787174228.db2.gz SINIUTBTBKVMLW-BZUAXINKSA-N 2 2 330.432 0.754 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001073772585 787174232 /nfs/dbraw/zinc/17/42/32/787174232.db2.gz SINIUTBTBKVMLW-BZUAXINKSA-N 2 2 330.432 0.754 20 30 ECEDLP C#CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001075415580 789343676 /nfs/dbraw/zinc/34/36/76/789343676.db2.gz LTUSXKNTRYHBCA-WMZOPIPTSA-N 2 2 330.432 0.961 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001266320933 835693070 /nfs/dbraw/zinc/69/30/70/835693070.db2.gz JBALOAFCXSWXGY-GJZGRUSLSA-N 2 2 347.463 0.889 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001266320933 835693073 /nfs/dbraw/zinc/69/30/73/835693073.db2.gz JBALOAFCXSWXGY-GJZGRUSLSA-N 2 2 347.463 0.889 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(=O)NCC)CC2 ZINC001266374241 835786901 /nfs/dbraw/zinc/78/69/01/835786901.db2.gz UZYIPKDQOVOELS-HOTGVXAUSA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(=O)NCC)CC2 ZINC001266374241 835786913 /nfs/dbraw/zinc/78/69/13/835786913.db2.gz UZYIPKDQOVOELS-HOTGVXAUSA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)Cc2cc(OC)no2)CC1 ZINC001266439964 835844881 /nfs/dbraw/zinc/84/48/81/835844881.db2.gz AXONGYIULUMCMZ-UHFFFAOYSA-N 2 2 348.447 0.967 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)Cc2cc(OC)no2)CC1 ZINC001266439964 835844891 /nfs/dbraw/zinc/84/48/91/835844891.db2.gz AXONGYIULUMCMZ-UHFFFAOYSA-N 2 2 348.447 0.967 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266474534 835877213 /nfs/dbraw/zinc/87/72/13/835877213.db2.gz QGOXOBGJWAWAPH-HNNXBMFYSA-N 2 2 334.464 0.191 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266474534 835877218 /nfs/dbraw/zinc/87/72/18/835877218.db2.gz QGOXOBGJWAWAPH-HNNXBMFYSA-N 2 2 334.464 0.191 20 30 ECEDLP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001266797427 836318546 /nfs/dbraw/zinc/31/85/46/836318546.db2.gz CJQNKDAUCMYSDX-KURKYZTESA-N 2 2 349.475 0.328 20 30 ECEDLP C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267002900 836599287 /nfs/dbraw/zinc/59/92/87/836599287.db2.gz VOIWTLCSOYQMGB-AWEZNQCLSA-N 2 2 333.436 0.473 20 30 ECEDLP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267584755 837857756 /nfs/dbraw/zinc/85/77/56/837857756.db2.gz HXGYQRBXCVEKKC-DLBZAZTESA-N 2 2 344.459 0.876 20 30 ECEDLP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267584755 837857765 /nfs/dbraw/zinc/85/77/65/837857765.db2.gz HXGYQRBXCVEKKC-DLBZAZTESA-N 2 2 344.459 0.876 20 30 ECEDLP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CC(=O)NCC#N)C1 ZINC001267627857 838079376 /nfs/dbraw/zinc/07/93/76/838079376.db2.gz IRNXTGLRGYBGEH-LSDHHAIUSA-N 2 2 335.452 0.081 20 30 ECEDLP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CC(=O)NCC#N)C1 ZINC001267627857 838079387 /nfs/dbraw/zinc/07/93/87/838079387.db2.gz IRNXTGLRGYBGEH-LSDHHAIUSA-N 2 2 335.452 0.081 20 30 ECEDLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001267627857 838079395 /nfs/dbraw/zinc/07/93/95/838079395.db2.gz IRNXTGLRGYBGEH-LSDHHAIUSA-N 2 2 335.452 0.081 20 30 ECEDLP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001267627857 838079408 /nfs/dbraw/zinc/07/94/08/838079408.db2.gz IRNXTGLRGYBGEH-LSDHHAIUSA-N 2 2 335.452 0.081 20 30 ECEDLP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267691231 838261934 /nfs/dbraw/zinc/26/19/34/838261934.db2.gz WCGHXFNZXAWWRD-CVEARBPZSA-N 2 2 347.463 0.917 20 30 ECEDLP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267691231 838261936 /nfs/dbraw/zinc/26/19/36/838261936.db2.gz WCGHXFNZXAWWRD-CVEARBPZSA-N 2 2 347.463 0.917 20 30 ECEDLP COCC#CC[NH+]1CC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001268046970 839215691 /nfs/dbraw/zinc/21/56/91/839215691.db2.gz QHWLQICIPGHDCD-UHFFFAOYSA-N 2 2 330.432 0.835 20 30 ECEDLP N#Cc1cccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)c1 ZINC000369977344 270007518 /nfs/dbraw/zinc/00/75/18/270007518.db2.gz ZBPPBGPMVDYBQP-GOSISDBHSA-N 2 2 342.443 0.971 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCOc2ccccc2F)CC1 ZINC000081646632 436353283 /nfs/dbraw/zinc/35/32/83/436353283.db2.gz BBNLHFQIFBGEEC-UHFFFAOYSA-N 2 2 333.407 0.914 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCOc2ccccc2F)CC1 ZINC000081646632 436353286 /nfs/dbraw/zinc/35/32/86/436353286.db2.gz BBNLHFQIFBGEEC-UHFFFAOYSA-N 2 2 333.407 0.914 20 30 ECEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)NCCN1CCOCC1 ZINC000104157244 436557056 /nfs/dbraw/zinc/55/70/56/436557056.db2.gz YWMVUXHQUFEEMT-UHFFFAOYSA-N 2 2 344.463 0.842 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264165912 437019423 /nfs/dbraw/zinc/01/94/23/437019423.db2.gz GTRVRHOCFXRMIF-ZDUSSCGKSA-N 2 2 347.419 0.613 20 30 ECEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000278566456 437322530 /nfs/dbraw/zinc/32/25/30/437322530.db2.gz CZCTVYFXOUVXPU-CYBMUJFWSA-N 2 2 325.434 0.820 20 30 ECEDLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC[NH+]3CCOC(C)(C)C3)C[C@@H]21 ZINC000328877567 437276446 /nfs/dbraw/zinc/27/64/46/437276446.db2.gz KPJUOLUUDWXZDO-LSDHHAIUSA-N 2 2 340.468 0.416 20 30 ECEDLP C[NH+]1CCO[C@@H]2CCN(C(=O)NCC[N@@H+]3CCOC(C)(C)C3)C[C@@H]21 ZINC000328877567 437276451 /nfs/dbraw/zinc/27/64/51/437276451.db2.gz KPJUOLUUDWXZDO-LSDHHAIUSA-N 2 2 340.468 0.416 20 30 ECEDLP C[NH+]1CCO[C@@H]2CCN(C(=O)NCC[N@H+]3CCOC(C)(C)C3)C[C@@H]21 ZINC000328877567 437276453 /nfs/dbraw/zinc/27/64/53/437276453.db2.gz KPJUOLUUDWXZDO-LSDHHAIUSA-N 2 2 340.468 0.416 20 30 ECEDLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C[C@H]21 ZINC000328896386 437280020 /nfs/dbraw/zinc/28/00/20/437280020.db2.gz VRXWTGVZECUGES-HUUCEWRRSA-N 2 2 340.468 0.416 20 30 ECEDLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C[C@H]21 ZINC000328896386 437280024 /nfs/dbraw/zinc/28/00/24/437280024.db2.gz VRXWTGVZECUGES-HUUCEWRRSA-N 2 2 340.468 0.416 20 30 ECEDLP CN1CC[NH+](CC2CCN(C([O-])=[NH+]CCn3cc[nH+]c3)CC2)CC1 ZINC000330316358 437482678 /nfs/dbraw/zinc/48/26/78/437482678.db2.gz ZHUNXQZIUOXFJC-UHFFFAOYSA-N 2 2 334.468 0.757 20 30 ECEDLP CN1CC[NH+](CC2CCN(C(=O)NCCn3cc[nH+]c3)CC2)CC1 ZINC000330316358 437482681 /nfs/dbraw/zinc/48/26/81/437482681.db2.gz ZHUNXQZIUOXFJC-UHFFFAOYSA-N 2 2 334.468 0.757 20 30 ECEDLP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC000330099582 437453951 /nfs/dbraw/zinc/45/39/51/437453951.db2.gz DGHDJDBEDFYMJQ-MRXNPFEDSA-N 2 2 346.479 0.672 20 30 ECEDLP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)c1 ZINC000330099582 437453957 /nfs/dbraw/zinc/45/39/57/437453957.db2.gz DGHDJDBEDFYMJQ-MRXNPFEDSA-N 2 2 346.479 0.672 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000330139861 437460618 /nfs/dbraw/zinc/46/06/18/437460618.db2.gz PDOHNYQNOANHNF-ZDUSSCGKSA-N 2 2 325.457 0.089 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000330139861 437460622 /nfs/dbraw/zinc/46/06/22/437460622.db2.gz PDOHNYQNOANHNF-ZDUSSCGKSA-N 2 2 325.457 0.089 20 30 ECEDLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000330627207 437572362 /nfs/dbraw/zinc/57/23/62/437572362.db2.gz WXWCXSHSUFYHIA-GFCCVEGCSA-N 2 2 335.408 0.651 20 30 ECEDLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000340713861 437716149 /nfs/dbraw/zinc/71/61/49/437716149.db2.gz PHKTUAQUXNFFGM-UHFFFAOYSA-N 2 2 338.415 0.730 20 30 ECEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000346419690 437811302 /nfs/dbraw/zinc/81/13/02/437811302.db2.gz XUJRTIKWSPRYHB-HNNXBMFYSA-N 2 2 335.496 0.895 20 30 ECEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000346419690 437811303 /nfs/dbraw/zinc/81/13/03/437811303.db2.gz XUJRTIKWSPRYHB-HNNXBMFYSA-N 2 2 335.496 0.895 20 30 ECEDLP C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000346419690 437811305 /nfs/dbraw/zinc/81/13/05/437811305.db2.gz XUJRTIKWSPRYHB-HNNXBMFYSA-N 2 2 335.496 0.895 20 30 ECEDLP C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000346419690 437811306 /nfs/dbraw/zinc/81/13/06/437811306.db2.gz XUJRTIKWSPRYHB-HNNXBMFYSA-N 2 2 335.496 0.895 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000371638234 437969692 /nfs/dbraw/zinc/96/96/92/437969692.db2.gz PMBQBZXGYIMWFY-OAHLLOKOSA-N 2 2 349.479 0.233 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000371638234 437969697 /nfs/dbraw/zinc/96/96/97/437969697.db2.gz PMBQBZXGYIMWFY-OAHLLOKOSA-N 2 2 349.479 0.233 20 30 ECEDLP C[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CC[NH+](CCO)CC1 ZINC000357650627 438035714 /nfs/dbraw/zinc/03/57/14/438035714.db2.gz QIHHGFKEPOCYLH-UHFFFAOYSA-N 2 2 330.432 0.563 20 30 ECEDLP C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CC[NH+](CCO)CC1 ZINC000357650627 438035717 /nfs/dbraw/zinc/03/57/17/438035717.db2.gz QIHHGFKEPOCYLH-UHFFFAOYSA-N 2 2 330.432 0.563 20 30 ECEDLP C=CCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000433148119 438228352 /nfs/dbraw/zinc/22/83/52/438228352.db2.gz FVARZCYJAHTVKT-OAHLLOKOSA-N 2 2 343.493 0.391 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358852826 438315331 /nfs/dbraw/zinc/31/53/31/438315331.db2.gz GAWZVIJIAFSZQN-HOTGVXAUSA-N 2 2 339.480 0.879 20 30 ECEDLP COCC[N@H+](C)CCN1C[C@@H](Nc2cc(C)[nH+]cc2C#N)CC1=O ZINC000601177967 438828687 /nfs/dbraw/zinc/82/86/87/438828687.db2.gz GKZGWOQLKMAFDJ-HNNXBMFYSA-N 2 2 331.420 0.275 20 30 ECEDLP COCC[N@@H+](C)CCN1C[C@@H](Nc2cc(C)[nH+]cc2C#N)CC1=O ZINC000601177967 438828691 /nfs/dbraw/zinc/82/86/91/438828691.db2.gz GKZGWOQLKMAFDJ-HNNXBMFYSA-N 2 2 331.420 0.275 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000491037420 439323738 /nfs/dbraw/zinc/32/37/38/439323738.db2.gz DHBVLKCBQMSFBO-INIZCTEOSA-N 2 2 329.448 0.960 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCN(C)c2ccccc2)CC1 ZINC000490781186 439299104 /nfs/dbraw/zinc/29/91/04/439299104.db2.gz YBXGUUIRYPZZOE-UHFFFAOYSA-N 2 2 328.460 0.832 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCN(C)c2ccccc2)CC1 ZINC000490781186 439299107 /nfs/dbraw/zinc/29/91/07/439299107.db2.gz YBXGUUIRYPZZOE-UHFFFAOYSA-N 2 2 328.460 0.832 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000490839121 439303542 /nfs/dbraw/zinc/30/35/42/439303542.db2.gz GMZYITKADDXRCF-UHFFFAOYSA-N 2 2 346.475 0.098 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(CC(=O)OC)CCCCC2)CC1 ZINC000490852795 439304719 /nfs/dbraw/zinc/30/47/19/439304719.db2.gz NSWWWTMHVPDFLT-UHFFFAOYSA-N 2 2 335.448 0.619 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)OC)CC1 ZINC000490917769 439311640 /nfs/dbraw/zinc/31/16/40/439311640.db2.gz ZFTRCXTYVGRKIE-YJBOKZPZSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C(N)=O)[C@@H](C)c2ccccc2)CC1 ZINC000491556950 439406336 /nfs/dbraw/zinc/40/63/36/439406336.db2.gz ZVNYZHXIUJSJAO-YJBOKZPZSA-N 2 2 342.443 0.011 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(c3nc(C)no3)CC2)CC1 ZINC000491668825 439424651 /nfs/dbraw/zinc/42/46/51/439424651.db2.gz BSZLEBSYFCMNOA-UHFFFAOYSA-N 2 2 331.420 0.335 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)[C@@H]2CCCSC2)CC1 ZINC000491727790 439437104 /nfs/dbraw/zinc/43/71/04/439437104.db2.gz CFRDAJSWUXMLRT-MRXNPFEDSA-N 2 2 339.505 0.608 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)[C@@H]2CCCSC2)CC1 ZINC000491727790 439437109 /nfs/dbraw/zinc/43/71/09/439437109.db2.gz CFRDAJSWUXMLRT-MRXNPFEDSA-N 2 2 339.505 0.608 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000491744245 439438650 /nfs/dbraw/zinc/43/86/50/439438650.db2.gz VSUTXZPTIDFDPC-GOSISDBHSA-N 2 2 332.492 0.714 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000491744245 439438654 /nfs/dbraw/zinc/43/86/54/439438654.db2.gz VSUTXZPTIDFDPC-GOSISDBHSA-N 2 2 332.492 0.714 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cncc(C#N)c1 ZINC000594821939 439621790 /nfs/dbraw/zinc/62/17/90/439621790.db2.gz QIKXGXXRLKJXQX-UHFFFAOYSA-N 2 2 325.438 0.115 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cncc(C#N)c1 ZINC000594821939 439621793 /nfs/dbraw/zinc/62/17/93/439621793.db2.gz QIKXGXXRLKJXQX-UHFFFAOYSA-N 2 2 325.438 0.115 20 30 ECEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000600769319 439701341 /nfs/dbraw/zinc/70/13/41/439701341.db2.gz MJJINQXHBQXEJC-CVEARBPZSA-N 2 2 329.404 0.871 20 30 ECEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000600769319 439701344 /nfs/dbraw/zinc/70/13/44/439701344.db2.gz MJJINQXHBQXEJC-CVEARBPZSA-N 2 2 329.404 0.871 20 30 ECEDLP C=CC[C@@]1(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)CCC[NH2+]1 ZINC000662753341 439875293 /nfs/dbraw/zinc/87/52/93/439875293.db2.gz YOSXHABGYVYRGT-LPHOPBHVSA-N 2 2 348.491 0.840 20 30 ECEDLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078006022 782121128 /nfs/dbraw/zinc/12/11/28/782121128.db2.gz PWJLFKODNRWPGS-DAXOMENPSA-N 2 2 348.472 0.623 20 30 ECEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078006022 782121131 /nfs/dbraw/zinc/12/11/31/782121131.db2.gz PWJLFKODNRWPGS-DAXOMENPSA-N 2 2 348.472 0.623 20 30 ECEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078006022 782121136 /nfs/dbraw/zinc/12/11/36/782121136.db2.gz PWJLFKODNRWPGS-DAXOMENPSA-N 2 2 348.472 0.623 20 30 ECEDLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2O)C1 ZINC001078006022 782121122 /nfs/dbraw/zinc/12/11/22/782121122.db2.gz PWJLFKODNRWPGS-DAXOMENPSA-N 2 2 348.472 0.623 20 30 ECEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000330005452 546036806 /nfs/dbraw/zinc/03/68/06/546036806.db2.gz DGMATVMXGMQLDT-CQSZACIVSA-N 2 2 345.451 0.773 20 30 ECEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000330005452 546036810 /nfs/dbraw/zinc/03/68/10/546036810.db2.gz DGMATVMXGMQLDT-CQSZACIVSA-N 2 2 345.451 0.773 20 30 ECEDLP Cc1nn(C)c(N2CCOCC2)c1C=[NH+]NCC[NH+]1CCCCC1 ZINC000755657837 579436510 /nfs/dbraw/zinc/43/65/10/579436510.db2.gz RGDOJHVHLYVVLC-UHFFFAOYSA-N 2 2 334.468 0.975 20 30 ECEDLP CCCNC(=O)CO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725792774 578133801 /nfs/dbraw/zinc/13/38/01/578133801.db2.gz PTPRWNGLHXWLOE-UHFFFAOYSA-N 2 2 334.420 0.682 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000775376697 579265970 /nfs/dbraw/zinc/26/59/70/579265970.db2.gz YDKOMVZIWLVEQF-AWEZNQCLSA-N 2 2 331.416 0.829 20 30 ECEDLP C#C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000776232979 579278352 /nfs/dbraw/zinc/27/83/52/579278352.db2.gz UUOCCRAZKSPHTD-SJORKVTESA-N 2 2 336.480 0.835 20 30 ECEDLP C#C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000776232979 579278353 /nfs/dbraw/zinc/27/83/53/579278353.db2.gz UUOCCRAZKSPHTD-SJORKVTESA-N 2 2 336.480 0.835 20 30 ECEDLP CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000779792819 579320813 /nfs/dbraw/zinc/32/08/13/579320813.db2.gz UQTRLXFTGMXZGH-LBPRGKRZSA-N 2 2 331.420 0.886 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000746190367 579832313 /nfs/dbraw/zinc/83/23/13/579832313.db2.gz HVYBPTKTFUMZLZ-FQEVSTJZSA-N 2 2 341.455 0.791 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000746190367 579832314 /nfs/dbraw/zinc/83/23/14/579832314.db2.gz HVYBPTKTFUMZLZ-FQEVSTJZSA-N 2 2 341.455 0.791 20 30 ECEDLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N)CC2 ZINC000834480331 588901668 /nfs/dbraw/zinc/90/16/68/588901668.db2.gz OPWHDXOHXWMKMX-CABCVRRESA-N 2 2 344.415 0.290 20 30 ECEDLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N)CC2 ZINC000834480331 588901669 /nfs/dbraw/zinc/90/16/69/588901669.db2.gz OPWHDXOHXWMKMX-CABCVRRESA-N 2 2 344.415 0.290 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000900473585 586636834 /nfs/dbraw/zinc/63/68/34/586636834.db2.gz GRXMWCMQQZZNTP-MRXNPFEDSA-N 2 2 335.448 0.429 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000900473585 586636835 /nfs/dbraw/zinc/63/68/35/586636835.db2.gz GRXMWCMQQZZNTP-MRXNPFEDSA-N 2 2 335.448 0.429 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901727679 586714340 /nfs/dbraw/zinc/71/43/40/586714340.db2.gz HUZIETBQHZOSFC-UWVGGRQHSA-N 2 2 325.210 0.688 20 30 ECEDLP N#CCCc1ccc(S(=O)(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000903564243 586786798 /nfs/dbraw/zinc/78/67/98/586786798.db2.gz RRUDOPLNXWDWIM-UHFFFAOYSA-N 2 2 336.461 0.844 20 30 ECEDLP C=CCN1CCN(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000840036170 587082500 /nfs/dbraw/zinc/08/25/00/587082500.db2.gz QAAQXRFMQZMQCE-IRXDYDNUSA-N 2 2 335.496 0.825 20 30 ECEDLP C=CCN1CCN(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000840036170 587082502 /nfs/dbraw/zinc/08/25/02/587082502.db2.gz QAAQXRFMQZMQCE-IRXDYDNUSA-N 2 2 335.496 0.825 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000815861589 587300646 /nfs/dbraw/zinc/30/06/46/587300646.db2.gz PGAKYBOHSMCEMQ-UHFFFAOYSA-N 2 2 331.420 0.466 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000815861589 587300648 /nfs/dbraw/zinc/30/06/48/587300648.db2.gz PGAKYBOHSMCEMQ-UHFFFAOYSA-N 2 2 331.420 0.466 20 30 ECEDLP C#CCOCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817780411 587384080 /nfs/dbraw/zinc/38/40/80/587384080.db2.gz BCFUAYRFCFGBHL-UHFFFAOYSA-N 2 2 336.480 0.838 20 30 ECEDLP C#CCOCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817780411 587384081 /nfs/dbraw/zinc/38/40/81/587384081.db2.gz BCFUAYRFCFGBHL-UHFFFAOYSA-N 2 2 336.480 0.838 20 30 ECEDLP C=C[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000852714691 589507082 /nfs/dbraw/zinc/50/70/82/589507082.db2.gz ZFQJNTLDBKUYQM-NVXWUHKLSA-N 2 2 335.448 0.315 20 30 ECEDLP CN(C(=O)[C@@]1(C#N)CCCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865728818 590155967 /nfs/dbraw/zinc/15/59/67/590155967.db2.gz YZADOQQPOXNQPT-SJLPKXTDSA-N 2 2 334.464 0.934 20 30 ECEDLP CN(C(=O)[C@@]1(C#N)CCCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865728818 590155969 /nfs/dbraw/zinc/15/59/69/590155969.db2.gz YZADOQQPOXNQPT-SJLPKXTDSA-N 2 2 334.464 0.934 20 30 ECEDLP C#CCC1(O)CC[NH+](CC(O)C[NH+]2CCC(O)(CC#C)CC2)CC1 ZINC000880481553 590395404 /nfs/dbraw/zinc/39/54/04/590395404.db2.gz WKISXTKAZQEZIP-UHFFFAOYSA-N 2 2 334.460 0.048 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000876738122 590406714 /nfs/dbraw/zinc/40/67/14/590406714.db2.gz YYMUVFSDMFTKGG-TZMCWYRMSA-N 2 2 333.885 0.780 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000877081956 590437367 /nfs/dbraw/zinc/43/73/67/590437367.db2.gz UVZZQVWYCXIPDF-CABCVRRESA-N 2 2 338.839 0.869 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000877081956 590437369 /nfs/dbraw/zinc/43/73/69/590437369.db2.gz UVZZQVWYCXIPDF-CABCVRRESA-N 2 2 338.839 0.869 20 30 ECEDLP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000877082291 590437745 /nfs/dbraw/zinc/43/77/45/590437745.db2.gz OWBFHQPKQNSYQI-GOSISDBHSA-N 2 2 342.443 0.402 20 30 ECEDLP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000877082291 590437747 /nfs/dbraw/zinc/43/77/47/590437747.db2.gz OWBFHQPKQNSYQI-GOSISDBHSA-N 2 2 342.443 0.402 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000884175705 590762757 /nfs/dbraw/zinc/76/27/57/590762757.db2.gz DINSBUMTYJKIPO-INIZCTEOSA-N 2 2 331.416 0.777 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884183798 590766015 /nfs/dbraw/zinc/76/60/15/590766015.db2.gz XMRMCGMZZRCPEN-MJBXVCDLSA-N 2 2 327.425 0.049 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884183798 590766017 /nfs/dbraw/zinc/76/60/17/590766017.db2.gz XMRMCGMZZRCPEN-MJBXVCDLSA-N 2 2 327.425 0.049 20 30 ECEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C2 ZINC000884197534 590770714 /nfs/dbraw/zinc/77/07/14/590770714.db2.gz WKEJPXQDSNGYGU-NDUQDZPOSA-N 2 2 332.448 0.449 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C[NH+](C)C)Oc2ccccc21 ZINC000884232489 590783609 /nfs/dbraw/zinc/78/36/09/590783609.db2.gz SRRHEXSBQKJKAK-KBPBESRZSA-N 2 2 347.415 0.789 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000884273109 590793547 /nfs/dbraw/zinc/79/35/47/590793547.db2.gz JLZBRVNBPLSBBP-IAGOWNOFSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000884273109 590793552 /nfs/dbraw/zinc/79/35/52/590793552.db2.gz JLZBRVNBPLSBBP-IAGOWNOFSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000884273109 590793555 /nfs/dbraw/zinc/79/35/55/590793555.db2.gz JLZBRVNBPLSBBP-IAGOWNOFSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000884273109 590793558 /nfs/dbraw/zinc/79/35/58/590793558.db2.gz JLZBRVNBPLSBBP-IAGOWNOFSA-N 2 2 335.496 0.409 20 30 ECEDLP C=C(C)CNC(=[NH2+])NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000104183385 591053197 /nfs/dbraw/zinc/05/31/97/591053197.db2.gz SDGZSVYIOWRXSD-UHFFFAOYSA-N 2 2 330.436 0.601 20 30 ECEDLP C#CCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)C1CC[NH+](C)CC1 ZINC000916624419 609944457 /nfs/dbraw/zinc/94/44/57/609944457.db2.gz NHGPDZLEIWTLJS-UHFFFAOYSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CCN(C(=O)NCC[N@H+]1CCOCC1(C)C)C1CC[NH+](C)CC1 ZINC000916624419 609944460 /nfs/dbraw/zinc/94/44/60/609944460.db2.gz NHGPDZLEIWTLJS-UHFFFAOYSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000942280596 610380872 /nfs/dbraw/zinc/38/08/72/610380872.db2.gz VVPISEBFVHTURG-OAHLLOKOSA-N 2 2 343.431 0.015 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000941615436 610410923 /nfs/dbraw/zinc/41/09/23/610410923.db2.gz XDNQJRIELPNNRH-UHFFFAOYSA-N 2 2 332.492 0.570 20 30 ECEDLP COCC[NH2+]C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000923386290 611236712 /nfs/dbraw/zinc/23/67/12/611236712.db2.gz ADUMSPUBIGSGCP-KRWDZBQOSA-N 2 2 333.432 0.998 20 30 ECEDLP C#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000929259707 611740738 /nfs/dbraw/zinc/74/07/38/611740738.db2.gz KVKOUNQDWFYBMX-UHFFFAOYSA-N 2 2 342.443 0.702 20 30 ECEDLP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000949529468 612022567 /nfs/dbraw/zinc/02/25/67/612022567.db2.gz VKFWMXBMYVGOJC-QGZVFWFLSA-N 2 2 349.475 0.424 20 30 ECEDLP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000949529468 612022568 /nfs/dbraw/zinc/02/25/68/612022568.db2.gz VKFWMXBMYVGOJC-QGZVFWFLSA-N 2 2 349.475 0.424 20 30 ECEDLP C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC000949529468 612022570 /nfs/dbraw/zinc/02/25/70/612022570.db2.gz VKFWMXBMYVGOJC-QGZVFWFLSA-N 2 2 349.475 0.424 20 30 ECEDLP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC2)C1 ZINC000949529468 612022572 /nfs/dbraw/zinc/02/25/72/612022572.db2.gz VKFWMXBMYVGOJC-QGZVFWFLSA-N 2 2 349.475 0.424 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001024987038 738461540 /nfs/dbraw/zinc/46/15/40/738461540.db2.gz AVNRSVMAFTVONK-IRXDYDNUSA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC001024987038 738461541 /nfs/dbraw/zinc/46/15/41/738461541.db2.gz AVNRSVMAFTVONK-IRXDYDNUSA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cnn(C)c2)C1 ZINC000969867758 732462452 /nfs/dbraw/zinc/46/24/52/732462452.db2.gz GCGHCXPTPLFMEV-YOEHRIQHSA-N 2 2 329.448 0.454 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2cnn(C)c2)C1 ZINC000969867758 732462459 /nfs/dbraw/zinc/46/24/59/732462459.db2.gz GCGHCXPTPLFMEV-YOEHRIQHSA-N 2 2 329.448 0.454 20 30 ECEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000970213727 733204035 /nfs/dbraw/zinc/20/40/35/733204035.db2.gz OPFUTCZJTXANKF-QAPCUYQASA-N 2 2 333.476 0.947 20 30 ECEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000970213727 733204040 /nfs/dbraw/zinc/20/40/40/733204040.db2.gz OPFUTCZJTXANKF-QAPCUYQASA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCOC)CCO2 ZINC000972415888 736156352 /nfs/dbraw/zinc/15/63/52/736156352.db2.gz BFOBNZGLSBTFEN-WMZOPIPTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCOC)CCO2 ZINC000972415888 736156354 /nfs/dbraw/zinc/15/63/54/736156354.db2.gz BFOBNZGLSBTFEN-WMZOPIPTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CCOC)CCO2 ZINC000972415888 736156356 /nfs/dbraw/zinc/15/63/56/736156356.db2.gz BFOBNZGLSBTFEN-WMZOPIPTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CCOC)CCO2 ZINC000972415888 736156358 /nfs/dbraw/zinc/15/63/58/736156358.db2.gz BFOBNZGLSBTFEN-WMZOPIPTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001023510308 736941000 /nfs/dbraw/zinc/94/10/00/736941000.db2.gz HOPMICBYFCRPFC-ZWKOTPCHSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001023510308 736941003 /nfs/dbraw/zinc/94/10/03/736941003.db2.gz HOPMICBYFCRPFC-ZWKOTPCHSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001023510308 736941005 /nfs/dbraw/zinc/94/10/05/736941005.db2.gz HOPMICBYFCRPFC-ZWKOTPCHSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001023510308 736941007 /nfs/dbraw/zinc/94/10/07/736941007.db2.gz HOPMICBYFCRPFC-ZWKOTPCHSA-N 2 2 333.476 0.949 20 30 ECEDLP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001105334468 742096549 /nfs/dbraw/zinc/09/65/49/742096549.db2.gz JDCFVUIHFBAZHA-UHFFFAOYSA-N 2 2 329.408 0.683 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3nc(C)no3)C2)CC1 ZINC001029002188 743154123 /nfs/dbraw/zinc/15/41/23/743154123.db2.gz NDWOKMYNZNBPGM-OAHLLOKOSA-N 2 2 345.447 0.661 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3nc(C)no3)C2)CC1 ZINC001029002188 743154132 /nfs/dbraw/zinc/15/41/32/743154132.db2.gz NDWOKMYNZNBPGM-OAHLLOKOSA-N 2 2 345.447 0.661 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC000999046415 744483738 /nfs/dbraw/zinc/48/37/38/744483738.db2.gz SNVRZRYLWRQSFI-GJZGRUSLSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccn(C)n2)C1 ZINC001027446560 744486792 /nfs/dbraw/zinc/48/67/92/744486792.db2.gz NNHPNYYIKBAFRY-ROUUACIJSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2ccn(C)n2)C1 ZINC001027446560 744486794 /nfs/dbraw/zinc/48/67/94/744486794.db2.gz NNHPNYYIKBAFRY-ROUUACIJSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccn(C)n2)C1 ZINC001027446560 744486797 /nfs/dbraw/zinc/48/67/97/744486797.db2.gz NNHPNYYIKBAFRY-ROUUACIJSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)Cc2ccn(C)n2)C1 ZINC001027446560 744486800 /nfs/dbraw/zinc/48/68/00/744486800.db2.gz NNHPNYYIKBAFRY-ROUUACIJSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nonc2C)C1 ZINC000999391205 744671149 /nfs/dbraw/zinc/67/11/49/744671149.db2.gz IXXCDSBDSOTAEA-HOCLYGCPSA-N 2 2 331.420 0.556 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nonc2C)C1 ZINC000999391205 744671150 /nfs/dbraw/zinc/67/11/50/744671150.db2.gz IXXCDSBDSOTAEA-HOCLYGCPSA-N 2 2 331.420 0.556 20 30 ECEDLP CC#CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001168255000 752006422 /nfs/dbraw/zinc/00/64/22/752006422.db2.gz BAWQJGUBCZSRRG-KRWDZBQOSA-N 2 2 333.476 0.997 20 30 ECEDLP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC001001001114 745965873 /nfs/dbraw/zinc/96/58/73/745965873.db2.gz ICRDEWWPEJCJST-SFHVURJKSA-N 2 2 331.460 0.869 20 30 ECEDLP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)CC1 ZINC001001001114 745965876 /nfs/dbraw/zinc/96/58/76/745965876.db2.gz ICRDEWWPEJCJST-SFHVURJKSA-N 2 2 331.460 0.869 20 30 ECEDLP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001001001114 745965878 /nfs/dbraw/zinc/96/58/78/745965878.db2.gz ICRDEWWPEJCJST-SFHVURJKSA-N 2 2 331.460 0.869 20 30 ECEDLP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001001001114 745965882 /nfs/dbraw/zinc/96/58/82/745965882.db2.gz ICRDEWWPEJCJST-SFHVURJKSA-N 2 2 331.460 0.869 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC000985035618 747294196 /nfs/dbraw/zinc/29/41/96/747294196.db2.gz XJEOQMVYVCTJMY-IIAWOOMASA-N 2 2 345.447 0.234 20 30 ECEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(C(C)=O)CC1 ZINC000262415558 747437298 /nfs/dbraw/zinc/43/72/98/747437298.db2.gz QAVRKFHSQLMZET-UHFFFAOYSA-N 2 2 327.498 0.165 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC001002522159 747466216 /nfs/dbraw/zinc/46/62/16/747466216.db2.gz IEHZQWFOBGBSLI-LJQANCHMSA-N 2 2 341.455 0.949 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC001002522159 747466221 /nfs/dbraw/zinc/46/62/21/747466221.db2.gz IEHZQWFOBGBSLI-LJQANCHMSA-N 2 2 341.455 0.949 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)C1=O ZINC000985168976 747499449 /nfs/dbraw/zinc/49/94/49/747499449.db2.gz DAORHDUNNIAOJH-KKUMJFAQSA-N 2 2 331.420 0.154 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001088240337 747939101 /nfs/dbraw/zinc/93/91/01/747939101.db2.gz WDQZFNATPYBFTQ-GOSISDBHSA-N 2 2 344.459 0.925 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001088240337 747939107 /nfs/dbraw/zinc/93/91/07/747939107.db2.gz WDQZFNATPYBFTQ-GOSISDBHSA-N 2 2 344.459 0.925 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001003057517 748126405 /nfs/dbraw/zinc/12/64/05/748126405.db2.gz ZXXWLYMYDJBHAC-KRWDZBQOSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccnn2C)CC1 ZINC001003057517 748126409 /nfs/dbraw/zinc/12/64/09/748126409.db2.gz ZXXWLYMYDJBHAC-KRWDZBQOSA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nc(C)no2)C1 ZINC001029757880 748269187 /nfs/dbraw/zinc/26/91/87/748269187.db2.gz KGUGJNLZWGDJME-HOTGVXAUSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2nc(C)no2)C1 ZINC001029757880 748269193 /nfs/dbraw/zinc/26/91/93/748269193.db2.gz KGUGJNLZWGDJME-HOTGVXAUSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2nc(C)no2)C1 ZINC001029757880 748269196 /nfs/dbraw/zinc/26/91/96/748269196.db2.gz KGUGJNLZWGDJME-HOTGVXAUSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2nc(C)no2)C1 ZINC001029757880 748269201 /nfs/dbraw/zinc/26/92/01/748269201.db2.gz KGUGJNLZWGDJME-HOTGVXAUSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cnns2)C1 ZINC001029758163 748270338 /nfs/dbraw/zinc/27/03/38/748270338.db2.gz SRRYKAUFMNFFEV-ZBFHGGJFSA-N 2 2 347.488 0.916 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cnns2)C1 ZINC001029758163 748270341 /nfs/dbraw/zinc/27/03/41/748270341.db2.gz SRRYKAUFMNFFEV-ZBFHGGJFSA-N 2 2 347.488 0.916 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2cnns2)C1 ZINC001029758163 748270343 /nfs/dbraw/zinc/27/03/43/748270343.db2.gz SRRYKAUFMNFFEV-ZBFHGGJFSA-N 2 2 347.488 0.916 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001029877800 749330863 /nfs/dbraw/zinc/33/08/63/749330863.db2.gz WCXRYEZIMWDGFN-CABCVRRESA-N 2 2 345.447 0.519 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001029877800 749330867 /nfs/dbraw/zinc/33/08/67/749330867.db2.gz WCXRYEZIMWDGFN-CABCVRRESA-N 2 2 345.447 0.519 20 30 ECEDLP C=CCOCC[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001098514570 751247350 /nfs/dbraw/zinc/24/73/50/751247350.db2.gz ZZZAZOQDQQAKFA-UHFFFAOYSA-N 2 2 336.436 0.440 20 30 ECEDLP C=CCOCC[N@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001098514570 751247356 /nfs/dbraw/zinc/24/73/56/751247356.db2.gz ZZZAZOQDQQAKFA-UHFFFAOYSA-N 2 2 336.436 0.440 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098682994 753692117 /nfs/dbraw/zinc/69/21/17/753692117.db2.gz MNIVXYHERIHQTI-SJORKVTESA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098682994 753692122 /nfs/dbraw/zinc/69/21/22/753692122.db2.gz MNIVXYHERIHQTI-SJORKVTESA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1O ZINC001077159062 758375930 /nfs/dbraw/zinc/37/59/30/758375930.db2.gz MJXKYILKSJDQBH-FGTMMUONSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1O ZINC001077159062 758375941 /nfs/dbraw/zinc/37/59/41/758375941.db2.gz MJXKYILKSJDQBH-FGTMMUONSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1O ZINC001077159062 758375952 /nfs/dbraw/zinc/37/59/52/758375952.db2.gz MJXKYILKSJDQBH-FGTMMUONSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC2CCC2)C[C@H]1O ZINC001077159062 758375963 /nfs/dbraw/zinc/37/59/63/758375963.db2.gz MJXKYILKSJDQBH-FGTMMUONSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001022221178 758443094 /nfs/dbraw/zinc/44/30/94/758443094.db2.gz ZIWRWOSZVBCNPY-MJBXVCDLSA-N 2 2 331.420 0.466 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001022221178 758443098 /nfs/dbraw/zinc/44/30/98/758443098.db2.gz ZIWRWOSZVBCNPY-MJBXVCDLSA-N 2 2 331.420 0.466 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001049517306 758841529 /nfs/dbraw/zinc/84/15/29/758841529.db2.gz IKLIRQQRSIKXNL-KSZLIROESA-N 2 2 343.475 0.902 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001049517306 758841539 /nfs/dbraw/zinc/84/15/39/758841539.db2.gz IKLIRQQRSIKXNL-KSZLIROESA-N 2 2 343.475 0.902 20 30 ECEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083645604 760338604 /nfs/dbraw/zinc/33/86/04/760338604.db2.gz JAMUGTXRLDPAGR-SJORKVTESA-N 2 2 339.399 0.425 20 30 ECEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083645604 760338616 /nfs/dbraw/zinc/33/86/16/760338616.db2.gz JAMUGTXRLDPAGR-SJORKVTESA-N 2 2 339.399 0.425 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051030403 761366205 /nfs/dbraw/zinc/36/62/05/761366205.db2.gz YZUGOKARPUUNAE-VIHIWDAPSA-N 2 2 349.475 0.633 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051030403 761366216 /nfs/dbraw/zinc/36/62/16/761366216.db2.gz YZUGOKARPUUNAE-VIHIWDAPSA-N 2 2 349.475 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051030403 761366226 /nfs/dbraw/zinc/36/62/26/761366226.db2.gz YZUGOKARPUUNAE-VIHIWDAPSA-N 2 2 349.475 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051030403 761366236 /nfs/dbraw/zinc/36/62/36/761366236.db2.gz YZUGOKARPUUNAE-VIHIWDAPSA-N 2 2 349.475 0.633 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001014774390 763133734 /nfs/dbraw/zinc/13/37/34/763133734.db2.gz DFMZMOPQCQIXLX-RDJZCZTQSA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001014774390 763133741 /nfs/dbraw/zinc/13/37/41/763133741.db2.gz DFMZMOPQCQIXLX-RDJZCZTQSA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001014774390 763133746 /nfs/dbraw/zinc/13/37/46/763133746.db2.gz DFMZMOPQCQIXLX-RDJZCZTQSA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001014774390 763133754 /nfs/dbraw/zinc/13/37/54/763133754.db2.gz DFMZMOPQCQIXLX-RDJZCZTQSA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3cnnn3C)C2)CC1 ZINC001046849558 763227027 /nfs/dbraw/zinc/22/70/27/763227027.db2.gz HFDXCZYOPDIZKL-SFHVURJKSA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3cnnn3C)C2)CC1 ZINC001046849558 763227036 /nfs/dbraw/zinc/22/70/36/763227036.db2.gz HFDXCZYOPDIZKL-SFHVURJKSA-N 2 2 344.463 0.241 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@]2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001046901631 763347917 /nfs/dbraw/zinc/34/79/17/763347917.db2.gz VDMMTACZSSSYNX-RDTXWAMCSA-N 2 2 345.447 0.567 20 30 ECEDLP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046927355 763401626 /nfs/dbraw/zinc/40/16/26/763401626.db2.gz YCFWYSHYNNNANW-KGLIPLIRSA-N 2 2 331.407 0.967 20 30 ECEDLP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046927355 763401628 /nfs/dbraw/zinc/40/16/28/763401628.db2.gz YCFWYSHYNNNANW-KGLIPLIRSA-N 2 2 331.407 0.967 20 30 ECEDLP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046927355 763401632 /nfs/dbraw/zinc/40/16/32/763401632.db2.gz YCFWYSHYNNNANW-KGLIPLIRSA-N 2 2 331.407 0.967 20 30 ECEDLP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046927355 763401635 /nfs/dbraw/zinc/40/16/35/763401635.db2.gz YCFWYSHYNNNANW-KGLIPLIRSA-N 2 2 331.407 0.967 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046947954 763439183 /nfs/dbraw/zinc/43/91/83/763439183.db2.gz AAWRTZRQDIEAJE-HZSPNIEDSA-N 2 2 329.391 0.412 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046947954 763439188 /nfs/dbraw/zinc/43/91/88/763439188.db2.gz AAWRTZRQDIEAJE-HZSPNIEDSA-N 2 2 329.391 0.412 20 30 ECEDLP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046947954 763439194 /nfs/dbraw/zinc/43/91/94/763439194.db2.gz AAWRTZRQDIEAJE-HZSPNIEDSA-N 2 2 329.391 0.412 20 30 ECEDLP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046947954 763439200 /nfs/dbraw/zinc/43/92/00/763439200.db2.gz AAWRTZRQDIEAJE-HZSPNIEDSA-N 2 2 329.391 0.412 20 30 ECEDLP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C2)CC1 ZINC001052037281 763653280 /nfs/dbraw/zinc/65/32/80/763653280.db2.gz JQZSLFNLFVEXHL-MOPGFXCFSA-N 2 2 342.487 0.326 20 30 ECEDLP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C2)CC1 ZINC001052037281 763653285 /nfs/dbraw/zinc/65/32/85/763653285.db2.gz JQZSLFNLFVEXHL-MOPGFXCFSA-N 2 2 342.487 0.326 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107969 763888737 /nfs/dbraw/zinc/88/87/37/763888737.db2.gz JFNDZXBRYMEJSN-MSOLQXFVSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107969 763888743 /nfs/dbraw/zinc/88/87/43/763888743.db2.gz JFNDZXBRYMEJSN-MSOLQXFVSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](N3CC[NH+](CC=C)CC3)C2)CC1 ZINC001052122771 763947171 /nfs/dbraw/zinc/94/71/71/763947171.db2.gz ZZDCTEXUKFMOCL-IBGZPJMESA-N 2 2 344.503 0.736 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH+]3CCN(CC=C)CC3)C2)CC1 ZINC001052122771 763947175 /nfs/dbraw/zinc/94/71/75/763947175.db2.gz ZZDCTEXUKFMOCL-IBGZPJMESA-N 2 2 344.503 0.736 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001047432715 764329029 /nfs/dbraw/zinc/32/90/29/764329029.db2.gz ZMTNFKTZHHTQOJ-JYJNAYRXSA-N 2 2 332.448 0.915 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001047432715 764329040 /nfs/dbraw/zinc/32/90/40/764329040.db2.gz ZMTNFKTZHHTQOJ-JYJNAYRXSA-N 2 2 332.448 0.915 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](Cn1cccn1)[NH+](C)C)CCO2 ZINC001053284737 765903345 /nfs/dbraw/zinc/90/33/45/765903345.db2.gz HAZXRVSWHFSVEH-MRXNPFEDSA-N 2 2 347.463 0.303 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)CC1 ZINC001016335346 766139703 /nfs/dbraw/zinc/13/97/03/766139703.db2.gz CSJHDNBRGZEZQR-QGZVFWFLSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnc(C)cn3)C2)CC1 ZINC001016335346 766139705 /nfs/dbraw/zinc/13/97/05/766139705.db2.gz CSJHDNBRGZEZQR-QGZVFWFLSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046085973 766928068 /nfs/dbraw/zinc/92/80/68/766928068.db2.gz KYXKNBNKXANRKB-GOSISDBHSA-N 2 2 343.475 0.074 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046085974 766928116 /nfs/dbraw/zinc/92/81/16/766928116.db2.gz KYXKNBNKXANRKB-SFHVURJKSA-N 2 2 343.475 0.074 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCC3CC3)C2)C1 ZINC001053832645 766970877 /nfs/dbraw/zinc/97/08/77/766970877.db2.gz MRMTUHMIDJTYSV-SJORKVTESA-N 2 2 331.460 0.844 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCC3CC3)C2)C1 ZINC001053832645 766970878 /nfs/dbraw/zinc/97/08/78/766970878.db2.gz MRMTUHMIDJTYSV-SJORKVTESA-N 2 2 331.460 0.844 20 30 ECEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)O1 ZINC001031769249 767174240 /nfs/dbraw/zinc/17/42/40/767174240.db2.gz IVZYGBGTWAKIIM-RDTXWAMCSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccccc3C#N)C2)O1 ZINC001031769249 767174242 /nfs/dbraw/zinc/17/42/42/767174242.db2.gz IVZYGBGTWAKIIM-RDTXWAMCSA-N 2 2 342.443 0.825 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC(=O)NC)C2)C1 ZINC001054147099 767742304 /nfs/dbraw/zinc/74/23/04/767742304.db2.gz JURDRBQKKXLSDV-QFBILLFUSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC(=O)NC)C2)C1 ZINC001054147099 767742307 /nfs/dbraw/zinc/74/23/07/767742307.db2.gz JURDRBQKKXLSDV-QFBILLFUSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC(=O)NC)C2)C1 ZINC001054147099 767742312 /nfs/dbraw/zinc/74/23/12/767742312.db2.gz JURDRBQKKXLSDV-QFBILLFUSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC(=O)NC)C2)C1 ZINC001054147099 767742314 /nfs/dbraw/zinc/74/23/14/767742314.db2.gz JURDRBQKKXLSDV-QFBILLFUSA-N 2 2 346.475 0.145 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001017957479 768551592 /nfs/dbraw/zinc/55/15/92/768551592.db2.gz QHVCUONHUJMTTE-YVSFHVDLSA-N 2 2 348.491 0.789 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001017957479 768551599 /nfs/dbraw/zinc/55/15/99/768551599.db2.gz QHVCUONHUJMTTE-YVSFHVDLSA-N 2 2 348.491 0.789 20 30 ECEDLP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001098789956 768725676 /nfs/dbraw/zinc/72/56/76/768725676.db2.gz LKCKLQYULQHWDT-HNNXBMFYSA-N 2 2 327.392 0.061 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001018362270 769198094 /nfs/dbraw/zinc/19/80/94/769198094.db2.gz DZLKOISWYYGDFI-IAGOWNOFSA-N 2 2 348.491 0.649 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001018362270 769198101 /nfs/dbraw/zinc/19/81/01/769198101.db2.gz DZLKOISWYYGDFI-IAGOWNOFSA-N 2 2 348.491 0.649 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001020045920 772107305 /nfs/dbraw/zinc/10/73/05/772107305.db2.gz PKMSFTVBFFMWGP-IJLUTSLNSA-N 2 2 332.242 0.462 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001020045920 772107307 /nfs/dbraw/zinc/10/73/07/772107307.db2.gz PKMSFTVBFFMWGP-IJLUTSLNSA-N 2 2 332.242 0.462 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ncccn2)C1 ZINC001020250851 772352216 /nfs/dbraw/zinc/35/22/16/772352216.db2.gz URMRYAKHYHHCFV-FPCVCCKLSA-N 2 2 327.432 0.872 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ncccn2)C1 ZINC001020250851 772352224 /nfs/dbraw/zinc/35/22/24/772352224.db2.gz URMRYAKHYHHCFV-FPCVCCKLSA-N 2 2 327.432 0.872 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060369 790476805 /nfs/dbraw/zinc/47/68/05/790476805.db2.gz SKYAUYLGFDDXOB-CVEARBPZSA-N 2 2 332.452 0.538 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060369 790476807 /nfs/dbraw/zinc/47/68/07/790476807.db2.gz SKYAUYLGFDDXOB-CVEARBPZSA-N 2 2 332.452 0.538 20 30 ECEDLP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001070958871 784229988 /nfs/dbraw/zinc/22/99/88/784229988.db2.gz XQMRBLQPQMMZBK-UHFFFAOYSA-N 2 2 333.436 0.569 20 30 ECEDLP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001070958871 784229996 /nfs/dbraw/zinc/22/99/96/784229996.db2.gz XQMRBLQPQMMZBK-UHFFFAOYSA-N 2 2 333.436 0.569 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1c1cn(C)cn1 ZINC001070549441 784258181 /nfs/dbraw/zinc/25/81/81/784258181.db2.gz FASIIVCXGRMJHN-DZGCQCFKSA-N 2 2 328.420 0.846 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CC(C)C)CC1 ZINC001070970722 784271249 /nfs/dbraw/zinc/27/12/49/784271249.db2.gz UHTHWWZHADSIIA-KRWDZBQOSA-N 2 2 348.491 0.391 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CC(C)C)CC1 ZINC001070970722 784271252 /nfs/dbraw/zinc/27/12/52/784271252.db2.gz UHTHWWZHADSIIA-KRWDZBQOSA-N 2 2 348.491 0.391 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[NH+](CC(C)C)CC1 ZINC001070970722 784271258 /nfs/dbraw/zinc/27/12/58/784271258.db2.gz UHTHWWZHADSIIA-KRWDZBQOSA-N 2 2 348.491 0.391 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[NH+](CC(C)C)CC1 ZINC001070970722 784271265 /nfs/dbraw/zinc/27/12/65/784271265.db2.gz UHTHWWZHADSIIA-KRWDZBQOSA-N 2 2 348.491 0.391 20 30 ECEDLP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001070983732 784319350 /nfs/dbraw/zinc/31/93/50/784319350.db2.gz CJGUNOZAVCZCGN-UHFFFAOYSA-N 2 2 333.436 0.500 20 30 ECEDLP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001070983732 784319357 /nfs/dbraw/zinc/31/93/57/784319357.db2.gz CJGUNOZAVCZCGN-UHFFFAOYSA-N 2 2 333.436 0.500 20 30 ECEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001074361280 786754976 /nfs/dbraw/zinc/75/49/76/786754976.db2.gz ZMXFUNRDEZTAGH-SJORKVTESA-N 2 2 337.464 0.587 20 30 ECEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001074361280 786754977 /nfs/dbraw/zinc/75/49/77/786754977.db2.gz ZMXFUNRDEZTAGH-SJORKVTESA-N 2 2 337.464 0.587 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3OCC[N@@H+](CCOC)[C@@H]3C2)CC1 ZINC001074409607 786893767 /nfs/dbraw/zinc/89/37/67/786893767.db2.gz FEGLXXIMENSIRZ-QZTJIDSGSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3OCC[N@H+](CCOC)[C@@H]3C2)CC1 ZINC001074409607 786893777 /nfs/dbraw/zinc/89/37/77/786893777.db2.gz FEGLXXIMENSIRZ-QZTJIDSGSA-N 2 2 349.475 0.280 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664862 786913544 /nfs/dbraw/zinc/91/35/44/786913544.db2.gz QRCBUFHZTGTJPD-DOTOQJQBSA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664862 786913549 /nfs/dbraw/zinc/91/35/49/786913549.db2.gz QRCBUFHZTGTJPD-DOTOQJQBSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001073665312 786915109 /nfs/dbraw/zinc/91/51/09/786915109.db2.gz WSOMWSQKAJCADL-JKSUJKDBSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001073665312 786915117 /nfs/dbraw/zinc/91/51/17/786915117.db2.gz WSOMWSQKAJCADL-JKSUJKDBSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670513 786925354 /nfs/dbraw/zinc/92/53/54/786925354.db2.gz IFRRHSYQEQEUMG-RDJZCZTQSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670513 786925359 /nfs/dbraw/zinc/92/53/59/786925359.db2.gz IFRRHSYQEQEUMG-RDJZCZTQSA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670857 786927180 /nfs/dbraw/zinc/92/71/80/786927180.db2.gz QCPIYYSOQGSNMQ-RDJZCZTQSA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670857 786927186 /nfs/dbraw/zinc/92/71/86/786927186.db2.gz QCPIYYSOQGSNMQ-RDJZCZTQSA-N 2 2 330.432 0.676 20 30 ECEDLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001074581547 787318873 /nfs/dbraw/zinc/31/88/73/787318873.db2.gz CXAHSADLUDPPBU-JCGIZDLHSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001074581547 787318885 /nfs/dbraw/zinc/31/88/85/787318885.db2.gz CXAHSADLUDPPBU-JCGIZDLHSA-N 2 2 342.443 0.968 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069941826 790217872 /nfs/dbraw/zinc/21/78/72/790217872.db2.gz ALQQUBFVZFRNDT-ZACQAIPSSA-N 2 2 344.463 0.517 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069941826 790217877 /nfs/dbraw/zinc/21/78/77/790217877.db2.gz ALQQUBFVZFRNDT-ZACQAIPSSA-N 2 2 344.463 0.517 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069941826 790217883 /nfs/dbraw/zinc/21/78/83/790217883.db2.gz ALQQUBFVZFRNDT-ZACQAIPSSA-N 2 2 344.463 0.517 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069941826 790217887 /nfs/dbraw/zinc/21/78/87/790217887.db2.gz ALQQUBFVZFRNDT-ZACQAIPSSA-N 2 2 344.463 0.517 20 30 ECEDLP C#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945663 790224052 /nfs/dbraw/zinc/22/40/52/790224052.db2.gz SSFPYUKPVWIJSI-BBWFWOEESA-N 2 2 344.463 0.516 20 30 ECEDLP C#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945663 790224056 /nfs/dbraw/zinc/22/40/56/790224056.db2.gz SSFPYUKPVWIJSI-BBWFWOEESA-N 2 2 344.463 0.516 20 30 ECEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945663 790224059 /nfs/dbraw/zinc/22/40/59/790224059.db2.gz SSFPYUKPVWIJSI-BBWFWOEESA-N 2 2 344.463 0.516 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945663 790224063 /nfs/dbraw/zinc/22/40/63/790224063.db2.gz SSFPYUKPVWIJSI-BBWFWOEESA-N 2 2 344.463 0.516 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1n1ccnn1 ZINC001069949257 790229086 /nfs/dbraw/zinc/22/90/86/790229086.db2.gz NJGXZMDIHDTGLW-PMPSAXMXSA-N 2 2 330.436 0.126 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1n1ccnn1 ZINC001069949257 790229089 /nfs/dbraw/zinc/22/90/89/790229089.db2.gz NJGXZMDIHDTGLW-PMPSAXMXSA-N 2 2 330.436 0.126 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1n1ccnn1 ZINC001069949257 790229092 /nfs/dbraw/zinc/22/90/92/790229092.db2.gz NJGXZMDIHDTGLW-PMPSAXMXSA-N 2 2 330.436 0.126 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1n1ccnn1 ZINC001069949257 790229097 /nfs/dbraw/zinc/22/90/97/790229097.db2.gz NJGXZMDIHDTGLW-PMPSAXMXSA-N 2 2 330.436 0.126 20 30 ECEDLP COCC#CC[N@H+](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001266297106 835645928 /nfs/dbraw/zinc/64/59/28/835645928.db2.gz IJQDRFFZNQJGAP-UHFFFAOYSA-N 2 2 327.388 0.579 20 30 ECEDLP COCC#CC[N@@H+](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001266297106 835645930 /nfs/dbraw/zinc/64/59/30/835645930.db2.gz IJQDRFFZNQJGAP-UHFFFAOYSA-N 2 2 327.388 0.579 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266399312 835807448 /nfs/dbraw/zinc/80/74/48/835807448.db2.gz QXROZUOEBMZLDG-ZDUSSCGKSA-N 2 2 341.415 0.753 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266399312 835807458 /nfs/dbraw/zinc/80/74/58/835807458.db2.gz QXROZUOEBMZLDG-ZDUSSCGKSA-N 2 2 341.415 0.753 20 30 ECEDLP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)CC[NH+]1CCOCC1 ZINC001266897443 836449564 /nfs/dbraw/zinc/44/95/64/836449564.db2.gz LIPFRZPJCSCNFU-UHFFFAOYSA-N 2 2 330.432 0.829 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001267178475 836922953 /nfs/dbraw/zinc/92/29/53/836922953.db2.gz AEIKHTJUDBRPJE-OAHLLOKOSA-N 2 2 345.447 0.371 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001267178475 836922957 /nfs/dbraw/zinc/92/29/57/836922957.db2.gz AEIKHTJUDBRPJE-OAHLLOKOSA-N 2 2 345.447 0.371 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001267280742 837129396 /nfs/dbraw/zinc/12/93/96/837129396.db2.gz GGVLMUQDZKQEME-HOCLYGCPSA-N 2 2 345.447 0.071 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001267280742 837129401 /nfs/dbraw/zinc/12/94/01/837129401.db2.gz GGVLMUQDZKQEME-HOCLYGCPSA-N 2 2 345.447 0.071 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)NCC=C)C2)CC1 ZINC001267634502 838102087 /nfs/dbraw/zinc/10/20/87/838102087.db2.gz BTBQBZBEACVXEJ-KRWDZBQOSA-N 2 2 346.475 0.214 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC(=O)N[C@H](C)CC)C2)CC1 ZINC001267700864 838298534 /nfs/dbraw/zinc/29/85/34/838298534.db2.gz IEJFODUJJCAVLX-OAHLLOKOSA-N 2 2 348.491 0.294 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cc(OC)no1 ZINC001267806122 838585606 /nfs/dbraw/zinc/58/56/06/838585606.db2.gz LFTXQVPIOBEIGM-ZFWWWQNUSA-N 2 2 334.420 0.765 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cc(OC)no1 ZINC001267806122 838585613 /nfs/dbraw/zinc/58/56/13/838585613.db2.gz LFTXQVPIOBEIGM-ZFWWWQNUSA-N 2 2 334.420 0.765 20 30 ECEDLP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001267811228 838594632 /nfs/dbraw/zinc/59/46/32/838594632.db2.gz QSNWTESZSSHWJC-KGLIPLIRSA-N 2 2 333.436 0.232 20 30 ECEDLP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001267996330 838941957 /nfs/dbraw/zinc/94/19/57/838941957.db2.gz WOPKJXWZKPPFAD-BBWFWOEESA-N 2 2 339.480 0.784 20 30 ECEDLP C[NH+](C)CCCCC(=O)N1CCC2(C[NH+](CC(=O)NCC#N)C2)CC1 ZINC001268046811 839214215 /nfs/dbraw/zinc/21/42/15/839214215.db2.gz LGJUOJMAEGLZOL-UHFFFAOYSA-N 2 2 349.479 0.282 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001268066469 839253087 /nfs/dbraw/zinc/25/30/87/839253087.db2.gz AGEOZEDIRGOIQN-GJZGRUSLSA-N 2 2 346.479 0.962 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001268066469 839253098 /nfs/dbraw/zinc/25/30/98/839253098.db2.gz AGEOZEDIRGOIQN-GJZGRUSLSA-N 2 2 346.479 0.962 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000528475550 268301208 /nfs/dbraw/zinc/30/12/08/268301208.db2.gz KPJKKLAWDHUOTD-OAHLLOKOSA-N 2 2 327.388 0.843 20 30 ECEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330542734 280101664 /nfs/dbraw/zinc/10/16/64/280101664.db2.gz XAWYDTANYWIJQE-ZHALLVOQSA-N 2 2 349.523 0.999 20 30 ECEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330542734 280101666 /nfs/dbraw/zinc/10/16/66/280101666.db2.gz XAWYDTANYWIJQE-ZHALLVOQSA-N 2 2 349.523 0.999 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000081645105 436352124 /nfs/dbraw/zinc/35/21/24/436352124.db2.gz HIVKCKOXJZJCCE-UHFFFAOYSA-N 2 2 343.427 0.667 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000081645105 436352128 /nfs/dbraw/zinc/35/21/28/436352128.db2.gz HIVKCKOXJZJCCE-UHFFFAOYSA-N 2 2 343.427 0.667 20 30 ECEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000107369179 436611572 /nfs/dbraw/zinc/61/15/72/436611572.db2.gz LVTNBBMNHFDFEC-WMZOPIPTSA-N 2 2 333.480 0.507 20 30 ECEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000107369179 436611575 /nfs/dbraw/zinc/61/15/75/436611575.db2.gz LVTNBBMNHFDFEC-WMZOPIPTSA-N 2 2 333.480 0.507 20 30 ECEDLP N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161310934 436887848 /nfs/dbraw/zinc/88/78/48/436887848.db2.gz UUUOVRUUTFEOQG-UHFFFAOYSA-N 2 2 326.404 0.860 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)NC[C@@](C)(O)c1ccsc1 ZINC000262452015 436934591 /nfs/dbraw/zinc/93/45/91/436934591.db2.gz UUDAUDUOQMMBNN-DZGCQCFKSA-N 2 2 326.466 0.451 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)NC[C@@](C)(O)c1ccsc1 ZINC000262452015 436934593 /nfs/dbraw/zinc/93/45/93/436934593.db2.gz UUDAUDUOQMMBNN-DZGCQCFKSA-N 2 2 326.466 0.451 20 30 ECEDLP C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000336925439 437312445 /nfs/dbraw/zinc/31/24/45/437312445.db2.gz WHKZFPHKAGWBFT-CQSZACIVSA-N 2 2 345.513 0.280 20 30 ECEDLP C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000336925439 437312448 /nfs/dbraw/zinc/31/24/48/437312448.db2.gz WHKZFPHKAGWBFT-CQSZACIVSA-N 2 2 345.513 0.280 20 30 ECEDLP C[N@H+](CC(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000329083172 437315927 /nfs/dbraw/zinc/31/59/27/437315927.db2.gz SLPJEMSCOYQHHV-CYBMUJFWSA-N 2 2 328.482 0.544 20 30 ECEDLP C[N@@H+](CC(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000329083172 437315930 /nfs/dbraw/zinc/31/59/30/437315930.db2.gz SLPJEMSCOYQHHV-CYBMUJFWSA-N 2 2 328.482 0.544 20 30 ECEDLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC[NH+]3CCOCC3(C)C)C[C@H]21 ZINC000328878187 437277321 /nfs/dbraw/zinc/27/73/21/437277321.db2.gz KWYDLAVZTNFMIA-HUUCEWRRSA-N 2 2 340.468 0.416 20 30 ECEDLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC[NH+]3CCOCC3(C)C)C[C@H]21 ZINC000328878187 437277323 /nfs/dbraw/zinc/27/73/23/437277323.db2.gz KWYDLAVZTNFMIA-HUUCEWRRSA-N 2 2 340.468 0.416 20 30 ECEDLP C[NH+]1CCO[C@@H]2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)C[C@H]21 ZINC000328878187 437277328 /nfs/dbraw/zinc/27/73/28/437277328.db2.gz KWYDLAVZTNFMIA-HUUCEWRRSA-N 2 2 340.468 0.416 20 30 ECEDLP C[NH+]1CCO[C@@H]2CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)C[C@H]21 ZINC000328878187 437277331 /nfs/dbraw/zinc/27/73/31/437277331.db2.gz KWYDLAVZTNFMIA-HUUCEWRRSA-N 2 2 340.468 0.416 20 30 ECEDLP C=CCNC(=O)NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182584369 437356206 /nfs/dbraw/zinc/35/62/06/437356206.db2.gz UJQQBQAWQBLZOQ-XYPWUTKMSA-N 2 2 349.479 0.241 20 30 ECEDLP C=CCNC(=O)NC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182584369 437356212 /nfs/dbraw/zinc/35/62/12/437356212.db2.gz UJQQBQAWQBLZOQ-XYPWUTKMSA-N 2 2 349.479 0.241 20 30 ECEDLP CCN(CCC#N)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182624631 437357182 /nfs/dbraw/zinc/35/71/82/437357182.db2.gz DRTMUZMYXPLRIK-JWTNVVGKSA-N 2 2 347.507 0.991 20 30 ECEDLP CCN(CCC#N)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182624631 437357186 /nfs/dbraw/zinc/35/71/86/437357186.db2.gz DRTMUZMYXPLRIK-JWTNVVGKSA-N 2 2 347.507 0.991 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182624631 437357188 /nfs/dbraw/zinc/35/71/88/437357188.db2.gz DRTMUZMYXPLRIK-JWTNVVGKSA-N 2 2 347.507 0.991 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182624631 437357191 /nfs/dbraw/zinc/35/71/91/437357191.db2.gz DRTMUZMYXPLRIK-JWTNVVGKSA-N 2 2 347.507 0.991 20 30 ECEDLP Cn1ncc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000289362469 437403501 /nfs/dbraw/zinc/40/35/01/437403501.db2.gz IYVHJCVSTJURFD-UHFFFAOYSA-N 2 2 344.419 0.609 20 30 ECEDLP C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000330625597 437571660 /nfs/dbraw/zinc/57/16/60/437571660.db2.gz HSDDCGGHMUCMCO-DLBZAZTESA-N 2 2 335.496 0.706 20 30 ECEDLP C[C@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000330625597 437571662 /nfs/dbraw/zinc/57/16/62/437571662.db2.gz HSDDCGGHMUCMCO-DLBZAZTESA-N 2 2 335.496 0.706 20 30 ECEDLP C=CCNC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000516423692 438905152 /nfs/dbraw/zinc/90/51/52/438905152.db2.gz PQWSJXICIOCUGE-OAHLLOKOSA-N 2 2 331.420 0.709 20 30 ECEDLP C=CCNC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000516423692 438905157 /nfs/dbraw/zinc/90/51/57/438905157.db2.gz PQWSJXICIOCUGE-OAHLLOKOSA-N 2 2 331.420 0.709 20 30 ECEDLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590079 439283225 /nfs/dbraw/zinc/28/32/25/439283225.db2.gz WWGDLEFGDNPAHA-IKGGRYGDSA-N 2 2 338.496 0.624 20 30 ECEDLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590079 439283230 /nfs/dbraw/zinc/28/32/30/439283230.db2.gz WWGDLEFGDNPAHA-IKGGRYGDSA-N 2 2 338.496 0.624 20 30 ECEDLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590079 439283234 /nfs/dbraw/zinc/28/32/34/439283234.db2.gz WWGDLEFGDNPAHA-IKGGRYGDSA-N 2 2 338.496 0.624 20 30 ECEDLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590079 439283237 /nfs/dbraw/zinc/28/32/37/439283237.db2.gz WWGDLEFGDNPAHA-IKGGRYGDSA-N 2 2 338.496 0.624 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC(=O)OC)C2CCCCC2)CC1 ZINC000490934576 439316596 /nfs/dbraw/zinc/31/65/96/439316596.db2.gz JMGWKKHMWMCWNQ-KRWDZBQOSA-N 2 2 349.475 0.865 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)CCc2ccccc2)CC1 ZINC000490780582 439298452 /nfs/dbraw/zinc/29/84/52/439298452.db2.gz MGTITPXGXFITSM-UHFFFAOYSA-N 2 2 343.471 0.955 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)CCc2ccccc2)CC1 ZINC000490780582 439298454 /nfs/dbraw/zinc/29/84/54/439298454.db2.gz MGTITPXGXFITSM-UHFFFAOYSA-N 2 2 343.471 0.955 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC)CC1 ZINC000490865797 439304014 /nfs/dbraw/zinc/30/40/14/439304014.db2.gz HOYNQZHUOHTFTL-SJORKVTESA-N 2 2 349.475 0.016 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)c2ccc(OC)cc2)CC1 ZINC000490914945 439311561 /nfs/dbraw/zinc/31/15/61/439311561.db2.gz KDQGNIBYTCSDFB-SFHVURJKSA-N 2 2 345.443 0.486 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(O)c(OC)c2)CC1 ZINC000491314561 439366128 /nfs/dbraw/zinc/36/61/28/439366128.db2.gz HNXKFZXFYJEVHR-UHFFFAOYSA-N 2 2 331.416 0.610 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(O)c(OC)c2)CC1 ZINC000491314561 439366131 /nfs/dbraw/zinc/36/61/31/439366131.db2.gz HNXKFZXFYJEVHR-UHFFFAOYSA-N 2 2 331.416 0.610 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000491387411 439375019 /nfs/dbraw/zinc/37/50/19/439375019.db2.gz XVHFRBSTUARVNW-HKUYNNGSSA-N 2 2 327.428 0.884 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000491666960 439424921 /nfs/dbraw/zinc/42/49/21/439424921.db2.gz KKDDIJUZFGXXKC-RCCFBDPRSA-N 2 2 332.492 0.426 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000491666960 439424924 /nfs/dbraw/zinc/42/49/24/439424924.db2.gz KKDDIJUZFGXXKC-RCCFBDPRSA-N 2 2 332.492 0.426 20 30 ECEDLP C#C[C@H]1COCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000491677972 439426921 /nfs/dbraw/zinc/42/69/21/439426921.db2.gz SBQSKXIXOKMEAT-KRWDZBQOSA-N 2 2 348.491 0.980 20 30 ECEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000609537710 439576066 /nfs/dbraw/zinc/57/60/66/439576066.db2.gz CVUSQZMFTUQKQE-IRXDYDNUSA-N 2 2 335.496 0.705 20 30 ECEDLP C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000584585878 439604212 /nfs/dbraw/zinc/60/42/12/439604212.db2.gz BMKTUMOBZDNASW-DOTOQJQBSA-N 2 2 333.432 0.856 20 30 ECEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600719665 439695409 /nfs/dbraw/zinc/69/54/09/439695409.db2.gz DQZADPKKMVWGJR-DLBZAZTESA-N 2 2 333.432 0.998 20 30 ECEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600719665 439695412 /nfs/dbraw/zinc/69/54/12/439695412.db2.gz DQZADPKKMVWGJR-DLBZAZTESA-N 2 2 333.432 0.998 20 30 ECEDLP C(#CC[N@@H+]1CC[C@@H](n2cncn2)C1)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000671243419 548112071 /nfs/dbraw/zinc/11/20/71/548112071.db2.gz DGPLELGVSMFUNT-HZPDHXFCSA-N 2 2 326.408 0.067 20 30 ECEDLP C(#CC[N@H+]1CC[C@@H](n2cncn2)C1)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000671243419 548112074 /nfs/dbraw/zinc/11/20/74/548112074.db2.gz DGPLELGVSMFUNT-HZPDHXFCSA-N 2 2 326.408 0.067 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000672355944 548314357 /nfs/dbraw/zinc/31/43/57/548314357.db2.gz JDJXEXVWRUCYHD-MRXNPFEDSA-N 2 2 345.447 0.813 20 30 ECEDLP C(#CC[N@@H+]1CCCC2(C1)OCCO2)C[NH+]1CCCC2(C1)OCCO2 ZINC000788486680 578838318 /nfs/dbraw/zinc/83/83/18/578838318.db2.gz YXKUMWIGSASXLM-UHFFFAOYSA-N 2 2 336.432 0.668 20 30 ECEDLP C(#CC[N@H+]1CCCC2(C1)OCCO2)C[NH+]1CCCC2(C1)OCCO2 ZINC000788486680 578838319 /nfs/dbraw/zinc/83/83/19/578838319.db2.gz YXKUMWIGSASXLM-UHFFFAOYSA-N 2 2 336.432 0.668 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000746257969 579834420 /nfs/dbraw/zinc/83/44/20/579834420.db2.gz IQKMBGDTLZEMNQ-LJQANCHMSA-N 2 2 327.428 0.401 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000746257969 579834421 /nfs/dbraw/zinc/83/44/21/579834421.db2.gz IQKMBGDTLZEMNQ-LJQANCHMSA-N 2 2 327.428 0.401 20 30 ECEDLP C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000834485520 588902423 /nfs/dbraw/zinc/90/24/23/588902423.db2.gz XVJOQHBONIJTBC-KEYYUXOJSA-N 2 2 345.422 0.564 20 30 ECEDLP C#CC[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000843076346 589049395 /nfs/dbraw/zinc/04/93/95/589049395.db2.gz GRWBRMWHWCBFIJ-SJLPKXTDSA-N 2 2 347.459 0.152 20 30 ECEDLP COCC(COC)O[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902703260 586755095 /nfs/dbraw/zinc/75/50/95/586755095.db2.gz CSXBMBVNILPVJJ-UHFFFAOYSA-N 2 2 337.420 0.817 20 30 ECEDLP N#Cc1ccc([C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)cc1 ZINC000903825064 586817917 /nfs/dbraw/zinc/81/79/17/586817917.db2.gz XQDNBVZDPUAHLV-QGZVFWFLSA-N 2 2 328.416 0.753 20 30 ECEDLP N#Cc1ccc([C@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)cc1 ZINC000903825064 586817920 /nfs/dbraw/zinc/81/79/20/586817920.db2.gz XQDNBVZDPUAHLV-QGZVFWFLSA-N 2 2 328.416 0.753 20 30 ECEDLP N#Cc1ccc([C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)cc1 ZINC000903825063 586817998 /nfs/dbraw/zinc/81/79/98/586817998.db2.gz XQDNBVZDPUAHLV-KRWDZBQOSA-N 2 2 328.416 0.753 20 30 ECEDLP N#Cc1ccc([C@@H]2C[N@@H+](CCC(=O)N3CC[NH2+]CC3)CCO2)cc1 ZINC000903825063 586818001 /nfs/dbraw/zinc/81/80/01/586818001.db2.gz XQDNBVZDPUAHLV-KRWDZBQOSA-N 2 2 328.416 0.753 20 30 ECEDLP C=CCN1CCN(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000840036173 587082490 /nfs/dbraw/zinc/08/24/90/587082490.db2.gz QAAQXRFMQZMQCE-SJORKVTESA-N 2 2 335.496 0.825 20 30 ECEDLP C=CCN1CCN(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000840036173 587082491 /nfs/dbraw/zinc/08/24/91/587082491.db2.gz QAAQXRFMQZMQCE-SJORKVTESA-N 2 2 335.496 0.825 20 30 ECEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)CN(C)CCC#N)cn1 ZINC000818968581 587462659 /nfs/dbraw/zinc/46/26/59/587462659.db2.gz VGBMVAXRBSVVCG-MRXNPFEDSA-N 2 2 328.420 0.872 20 30 ECEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819046215 587465599 /nfs/dbraw/zinc/46/55/99/587465599.db2.gz NNRZURXBCBCQGF-KRWDZBQOSA-N 2 2 330.432 0.734 20 30 ECEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C#N)(C(=O)OC)CC2)CC1 ZINC000831686979 588441750 /nfs/dbraw/zinc/44/17/50/588441750.db2.gz FNZNMOFJTJAFTO-CQSZACIVSA-N 2 2 336.436 0.318 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000850459842 589367218 /nfs/dbraw/zinc/36/72/18/589367218.db2.gz HVPRPZIFUJKOEQ-UHFFFAOYSA-N 2 2 327.388 0.653 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn2cc(C)[nH+]c2c1 ZINC000850459842 589367220 /nfs/dbraw/zinc/36/72/20/589367220.db2.gz HVPRPZIFUJKOEQ-UHFFFAOYSA-N 2 2 327.388 0.653 20 30 ECEDLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NCC#N)C2)ccn1 ZINC000856592509 589667810 /nfs/dbraw/zinc/66/78/10/589667810.db2.gz UXNMAOGXBDEBRK-MRXNPFEDSA-N 2 2 331.420 0.626 20 30 ECEDLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(=O)NCC#N)C2)ccn1 ZINC000856592509 589667812 /nfs/dbraw/zinc/66/78/12/589667812.db2.gz UXNMAOGXBDEBRK-MRXNPFEDSA-N 2 2 331.420 0.626 20 30 ECEDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)ccn1 ZINC000856592509 589667813 /nfs/dbraw/zinc/66/78/13/589667813.db2.gz UXNMAOGXBDEBRK-MRXNPFEDSA-N 2 2 331.420 0.626 20 30 ECEDLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)ccn1 ZINC000856592509 589667815 /nfs/dbraw/zinc/66/78/15/589667815.db2.gz UXNMAOGXBDEBRK-MRXNPFEDSA-N 2 2 331.420 0.626 20 30 ECEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876723772 590404445 /nfs/dbraw/zinc/40/44/45/590404445.db2.gz HDGGIAXPQFJQDM-CXAGYDPISA-N 2 2 328.416 0.582 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000890373038 591154911 /nfs/dbraw/zinc/15/49/11/591154911.db2.gz PGLUWDLHDBUYCM-INIZCTEOSA-N 2 2 344.463 0.345 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)C1 ZINC000890373038 591154913 /nfs/dbraw/zinc/15/49/13/591154913.db2.gz PGLUWDLHDBUYCM-INIZCTEOSA-N 2 2 344.463 0.345 20 30 ECEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH+]cn1C)CCO2 ZINC000949229693 608591694 /nfs/dbraw/zinc/59/16/94/608591694.db2.gz AYWCRXBYQRUHRO-UHFFFAOYSA-N 2 2 330.432 0.679 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000941431227 610312222 /nfs/dbraw/zinc/31/22/22/610312222.db2.gz KUALMAFMLXKBRG-SFHVURJKSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431227 610312223 /nfs/dbraw/zinc/31/22/23/610312223.db2.gz KUALMAFMLXKBRG-SFHVURJKSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456522 610318804 /nfs/dbraw/zinc/31/88/04/610318804.db2.gz QUFXYFMBVYMJRS-AEFFLSMTSA-N 2 2 330.476 0.465 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456522 610318805 /nfs/dbraw/zinc/31/88/05/610318805.db2.gz QUFXYFMBVYMJRS-AEFFLSMTSA-N 2 2 330.476 0.465 20 30 ECEDLP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC000941463544 610321924 /nfs/dbraw/zinc/32/19/24/610321924.db2.gz ZWLOKXKVYHEGGH-INIZCTEOSA-N 2 2 343.475 0.850 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)C)CC1(C)C ZINC000940807361 610372612 /nfs/dbraw/zinc/37/26/12/610372612.db2.gz MKJUKEDZPCDVSH-JKSUJKDBSA-N 2 2 348.491 0.389 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)C)CC1(C)C ZINC000940807361 610372614 /nfs/dbraw/zinc/37/26/14/610372614.db2.gz MKJUKEDZPCDVSH-JKSUJKDBSA-N 2 2 348.491 0.389 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)CC1(C)C ZINC000940807361 610372616 /nfs/dbraw/zinc/37/26/16/610372616.db2.gz MKJUKEDZPCDVSH-JKSUJKDBSA-N 2 2 348.491 0.389 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)N(C)C)CC1(C)C ZINC000940807361 610372618 /nfs/dbraw/zinc/37/26/18/610372618.db2.gz MKJUKEDZPCDVSH-JKSUJKDBSA-N 2 2 348.491 0.389 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603193 610403238 /nfs/dbraw/zinc/40/32/38/610403238.db2.gz GEDUFDIEJGDJGH-SJLPKXTDSA-N 2 2 330.476 0.465 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941603193 610403240 /nfs/dbraw/zinc/40/32/40/610403240.db2.gz GEDUFDIEJGDJGH-SJLPKXTDSA-N 2 2 330.476 0.465 20 30 ECEDLP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000941357156 610702079 /nfs/dbraw/zinc/70/20/79/610702079.db2.gz MKMCIYXIOOCERP-KRWDZBQOSA-N 2 2 336.480 0.112 20 30 ECEDLP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000941357156 610702081 /nfs/dbraw/zinc/70/20/81/610702081.db2.gz MKMCIYXIOOCERP-KRWDZBQOSA-N 2 2 336.480 0.112 20 30 ECEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000949366224 611953703 /nfs/dbraw/zinc/95/37/03/611953703.db2.gz YZMSEOJSRWONOG-KRWDZBQOSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000949366224 611953704 /nfs/dbraw/zinc/95/37/04/611953704.db2.gz YZMSEOJSRWONOG-KRWDZBQOSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000950431666 612016770 /nfs/dbraw/zinc/01/67/70/612016770.db2.gz GYRYWGGZDAVNTP-HNNXBMFYSA-N 2 2 343.431 0.015 20 30 ECEDLP C=CCOCC[NH2+]CCCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001167509372 735534288 /nfs/dbraw/zinc/53/42/88/735534288.db2.gz OOTHIEYWCJVDLS-UHFFFAOYSA-N 2 2 339.480 0.930 20 30 ECEDLP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428415 731794903 /nfs/dbraw/zinc/79/49/03/731794903.db2.gz UPAIFJWTJVAEIT-UWWQBHOKSA-N 2 2 344.459 0.840 20 30 ECEDLP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001208428415 731794905 /nfs/dbraw/zinc/79/49/05/731794905.db2.gz UPAIFJWTJVAEIT-UWWQBHOKSA-N 2 2 344.459 0.840 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167421959 734210808 /nfs/dbraw/zinc/21/08/08/734210808.db2.gz DEORLERCAAFULQ-CQSZACIVSA-N 2 2 347.463 0.767 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167421959 734210811 /nfs/dbraw/zinc/21/08/11/734210811.db2.gz DEORLERCAAFULQ-CQSZACIVSA-N 2 2 347.463 0.767 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000972561716 736790861 /nfs/dbraw/zinc/79/08/61/736790861.db2.gz VWSWDIOMFVGOLX-MDZRGWNJSA-N 2 2 342.443 0.850 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC000972561716 736790863 /nfs/dbraw/zinc/79/08/63/736790863.db2.gz VWSWDIOMFVGOLX-MDZRGWNJSA-N 2 2 342.443 0.850 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC001023424171 736807773 /nfs/dbraw/zinc/80/77/73/736807773.db2.gz QFTOQPUHJVWSCI-AEFFLSMTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC001023424171 736807775 /nfs/dbraw/zinc/80/77/75/736807775.db2.gz QFTOQPUHJVWSCI-AEFFLSMTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2ccnn2C)C1 ZINC001023424171 736807782 /nfs/dbraw/zinc/80/77/82/736807782.db2.gz QFTOQPUHJVWSCI-AEFFLSMTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2ccnn2C)C1 ZINC001023424171 736807784 /nfs/dbraw/zinc/80/77/84/736807784.db2.gz QFTOQPUHJVWSCI-AEFFLSMTSA-N 2 2 343.475 0.846 20 30 ECEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C[C@H](C)O2 ZINC001098578464 737070660 /nfs/dbraw/zinc/07/06/60/737070660.db2.gz VGQYGVHECGBGMQ-IRXDYDNUSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@H](C)O2 ZINC001098578464 737070663 /nfs/dbraw/zinc/07/06/63/737070663.db2.gz VGQYGVHECGBGMQ-IRXDYDNUSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)nn1 ZINC001105256796 741572469 /nfs/dbraw/zinc/57/24/69/741572469.db2.gz SQRJOHFYKCEPIZ-QGZVFWFLSA-N 2 2 344.463 0.649 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256796 741572470 /nfs/dbraw/zinc/57/24/70/741572470.db2.gz SQRJOHFYKCEPIZ-QGZVFWFLSA-N 2 2 344.463 0.649 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261988890 743301242 /nfs/dbraw/zinc/30/12/42/743301242.db2.gz QVZHXVAJIKCFLR-DZGCQCFKSA-N 3 2 325.526 0.683 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261988890 743301252 /nfs/dbraw/zinc/30/12/52/743301252.db2.gz QVZHXVAJIKCFLR-DZGCQCFKSA-N 3 2 325.526 0.683 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC000999046423 744483681 /nfs/dbraw/zinc/48/36/81/744483681.db2.gz SNVRZRYLWRQSFI-LSDHHAIUSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccnn2C)C1 ZINC001027446493 744486101 /nfs/dbraw/zinc/48/61/01/744486101.db2.gz LNAWNMNAPYQULB-AEFFLSMTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccnn2C)C1 ZINC001027446493 744486103 /nfs/dbraw/zinc/48/61/03/744486103.db2.gz LNAWNMNAPYQULB-AEFFLSMTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccnn2C)C1 ZINC001027446493 744486106 /nfs/dbraw/zinc/48/61/06/744486106.db2.gz LNAWNMNAPYQULB-AEFFLSMTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)Cc2ccnn2C)C1 ZINC001027446493 744486109 /nfs/dbraw/zinc/48/61/09/744486109.db2.gz LNAWNMNAPYQULB-AEFFLSMTSA-N 2 2 343.475 0.941 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999391980 744671968 /nfs/dbraw/zinc/67/19/68/744671968.db2.gz OLOLZGWOLNKUMB-SJORKVTESA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999391980 744671972 /nfs/dbraw/zinc/67/19/72/744671972.db2.gz OLOLZGWOLNKUMB-SJORKVTESA-N 2 2 329.448 0.598 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC000999393644 744672593 /nfs/dbraw/zinc/67/25/93/744672593.db2.gz XMRXPGTXVLGQKF-SJORKVTESA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC000999393644 744672595 /nfs/dbraw/zinc/67/25/95/744672595.db2.gz XMRXPGTXVLGQKF-SJORKVTESA-N 2 2 341.459 0.963 20 30 ECEDLP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001098696949 745212662 /nfs/dbraw/zinc/21/26/62/745212662.db2.gz AFLQWZLSSNIELK-OAHLLOKOSA-N 2 2 329.408 0.614 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005647 752042407 /nfs/dbraw/zinc/04/24/07/752042407.db2.gz ZEDLHSLLEOECMG-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005647 752042413 /nfs/dbraw/zinc/04/24/13/752042413.db2.gz ZEDLHSLLEOECMG-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005647 752042418 /nfs/dbraw/zinc/04/24/18/752042418.db2.gz ZEDLHSLLEOECMG-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001007005647 752042421 /nfs/dbraw/zinc/04/24/21/752042421.db2.gz ZEDLHSLLEOECMG-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3nc(C)no3)C2)CC1 ZINC001000991969 745957482 /nfs/dbraw/zinc/95/74/82/745957482.db2.gz KRVUHHKHQZZMEI-INIZCTEOSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3csnn3)C2)CC1 ZINC001000995403 745960771 /nfs/dbraw/zinc/96/07/71/745960771.db2.gz XTLDRTIETJMQRV-HNNXBMFYSA-N 2 2 347.488 0.964 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001027595245 746030447 /nfs/dbraw/zinc/03/04/47/746030447.db2.gz WZEWPWZYPXKRKL-CVEARBPZSA-N 2 2 345.447 0.662 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001027595245 746030454 /nfs/dbraw/zinc/03/04/54/746030454.db2.gz WZEWPWZYPXKRKL-CVEARBPZSA-N 2 2 345.447 0.662 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2cccn2)[C@@H]1CC ZINC001087607063 746115327 /nfs/dbraw/zinc/11/53/27/746115327.db2.gz JAHMLNZBPBODHJ-KSZLIROESA-N 2 2 343.475 0.950 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cccn2)[C@@H]1CC ZINC001087607063 746115330 /nfs/dbraw/zinc/11/53/30/746115330.db2.gz JAHMLNZBPBODHJ-KSZLIROESA-N 2 2 343.475 0.950 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2cccn2)[C@@H]1CC ZINC001087607063 746115332 /nfs/dbraw/zinc/11/53/32/746115332.db2.gz JAHMLNZBPBODHJ-KSZLIROESA-N 2 2 343.475 0.950 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2cccn2)[C@@H]1CC ZINC001087607063 746115334 /nfs/dbraw/zinc/11/53/34/746115334.db2.gz JAHMLNZBPBODHJ-KSZLIROESA-N 2 2 343.475 0.950 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC000984858252 747030466 /nfs/dbraw/zinc/03/04/66/747030466.db2.gz HFVIGHANKXFDKJ-UMVBOHGHSA-N 2 2 331.420 0.224 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2nc(C)no2)CC1 ZINC000985473000 748206870 /nfs/dbraw/zinc/20/68/70/748206870.db2.gz DIAUZBWRIATYAP-INIZCTEOSA-N 2 2 345.447 0.898 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2nc(C)no2)CC1 ZINC000985473000 748206874 /nfs/dbraw/zinc/20/68/74/748206874.db2.gz DIAUZBWRIATYAP-INIZCTEOSA-N 2 2 345.447 0.898 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2nc(C)no2)CC1 ZINC000985473000 748206878 /nfs/dbraw/zinc/20/68/78/748206878.db2.gz DIAUZBWRIATYAP-INIZCTEOSA-N 2 2 345.447 0.898 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2nc(C)no2)CC1 ZINC000985473000 748206882 /nfs/dbraw/zinc/20/68/82/748206882.db2.gz DIAUZBWRIATYAP-INIZCTEOSA-N 2 2 345.447 0.898 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC001007518521 752474145 /nfs/dbraw/zinc/47/41/45/752474145.db2.gz CGKBFLBMFMOBCN-WMZOPIPTSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC001007518521 752474153 /nfs/dbraw/zinc/47/41/53/752474153.db2.gz CGKBFLBMFMOBCN-WMZOPIPTSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCc2ccnn2C)C1 ZINC001007518521 752474167 /nfs/dbraw/zinc/47/41/67/752474167.db2.gz CGKBFLBMFMOBCN-WMZOPIPTSA-N 2 2 343.475 0.641 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001028465967 752743067 /nfs/dbraw/zinc/74/30/67/752743067.db2.gz NWHHIVKRPZGEGN-RTBURBONSA-N 2 2 341.455 0.807 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001028465967 752743069 /nfs/dbraw/zinc/74/30/69/752743069.db2.gz NWHHIVKRPZGEGN-RTBURBONSA-N 2 2 341.455 0.807 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001028465967 752743073 /nfs/dbraw/zinc/74/30/73/752743073.db2.gz NWHHIVKRPZGEGN-RTBURBONSA-N 2 2 341.455 0.807 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001028465967 752743077 /nfs/dbraw/zinc/74/30/77/752743077.db2.gz NWHHIVKRPZGEGN-RTBURBONSA-N 2 2 341.455 0.807 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)[nH]3)C[C@H]2C)CC1 ZINC000989829328 754483587 /nfs/dbraw/zinc/48/35/87/754483587.db2.gz RNSSXVIJDRPSQR-CJNGLKHVSA-N 2 2 344.463 0.537 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3csnn3)C[C@H]2C)CC1 ZINC000989829277 754498601 /nfs/dbraw/zinc/49/86/01/754498601.db2.gz QPPCTWIOXDYLDF-UKRRQHHQSA-N 2 2 347.488 0.962 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1CC[NH+](C2CC2)CC1 ZINC000087497034 754543994 /nfs/dbraw/zinc/54/39/94/754543994.db2.gz PQKUZFJUGRPBFX-UHFFFAOYSA-N 3 2 333.484 0.778 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3cncn3C)C2)CC1 ZINC001009630449 755092236 /nfs/dbraw/zinc/09/22/36/755092236.db2.gz VXDHHHMJPPBNSU-QGZVFWFLSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3cncn3C)C2)CC1 ZINC001009630449 755092240 /nfs/dbraw/zinc/09/22/40/755092240.db2.gz VXDHHHMJPPBNSU-QGZVFWFLSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105660999 755325331 /nfs/dbraw/zinc/32/53/31/755325331.db2.gz CFKUCICBQMFSTQ-RGCFKVTRSA-N 2 2 344.459 0.942 20 30 ECEDLP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891327 757312683 /nfs/dbraw/zinc/31/26/83/757312683.db2.gz OOOLVQHPWSKXGF-APIJFGDWSA-N 2 2 327.856 0.848 20 30 ECEDLP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891327 757312690 /nfs/dbraw/zinc/31/26/90/757312690.db2.gz OOOLVQHPWSKXGF-APIJFGDWSA-N 2 2 327.856 0.848 20 30 ECEDLP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891327 757312699 /nfs/dbraw/zinc/31/26/99/757312699.db2.gz OOOLVQHPWSKXGF-APIJFGDWSA-N 2 2 327.856 0.848 20 30 ECEDLP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891327 757312700 /nfs/dbraw/zinc/31/27/00/757312700.db2.gz OOOLVQHPWSKXGF-APIJFGDWSA-N 2 2 327.856 0.848 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[N@H+]3CC[C@H](C)C3)nn2)C1 ZINC001107211736 757702653 /nfs/dbraw/zinc/70/26/53/757702653.db2.gz ZBSXWAYVKQENGR-AWEZNQCLSA-N 2 2 332.452 0.669 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[N@@H+]3CC[C@H](C)C3)nn2)C1 ZINC001107211736 757702660 /nfs/dbraw/zinc/70/26/60/757702660.db2.gz ZBSXWAYVKQENGR-AWEZNQCLSA-N 2 2 332.452 0.669 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnon4)C[C@@H]3C2)CC1 ZINC001049235848 758405707 /nfs/dbraw/zinc/40/57/07/758405707.db2.gz XNBJBEHEKYDIJT-IYBDPMFKSA-N 2 2 343.431 0.305 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cnon4)C[C@@H]3C2)CC1 ZINC001049235848 758405711 /nfs/dbraw/zinc/40/57/11/758405711.db2.gz XNBJBEHEKYDIJT-IYBDPMFKSA-N 2 2 343.431 0.305 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001022220423 758439581 /nfs/dbraw/zinc/43/95/81/758439581.db2.gz CCWATJOFDWSTNJ-XQLPTFJDSA-N 2 2 344.463 0.763 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001022220423 758439589 /nfs/dbraw/zinc/43/95/89/758439589.db2.gz CCWATJOFDWSTNJ-XQLPTFJDSA-N 2 2 344.463 0.763 20 30 ECEDLP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)CCO3)cc2C1 ZINC001054260347 767878700 /nfs/dbraw/zinc/87/87/00/767878700.db2.gz LASYUIVRUNUZDU-GOSISDBHSA-N 2 2 327.428 0.972 20 30 ECEDLP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)cc2C1 ZINC001054260347 767878705 /nfs/dbraw/zinc/87/87/05/767878705.db2.gz LASYUIVRUNUZDU-GOSISDBHSA-N 2 2 327.428 0.972 20 30 ECEDLP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)CCO3)cc2C1 ZINC001054260347 767878714 /nfs/dbraw/zinc/87/87/14/767878714.db2.gz LASYUIVRUNUZDU-GOSISDBHSA-N 2 2 327.428 0.972 20 30 ECEDLP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](C)CCO3)cc2C1 ZINC001054260347 767878719 /nfs/dbraw/zinc/87/87/19/767878719.db2.gz LASYUIVRUNUZDU-GOSISDBHSA-N 2 2 327.428 0.972 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106225858 767970944 /nfs/dbraw/zinc/97/09/44/767970944.db2.gz JPHZLCCRQJLTSV-RBSFLKMASA-N 2 2 347.463 0.717 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106225858 767970949 /nfs/dbraw/zinc/97/09/49/767970949.db2.gz JPHZLCCRQJLTSV-RBSFLKMASA-N 2 2 347.463 0.717 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001030025630 760725186 /nfs/dbraw/zinc/72/51/86/760725186.db2.gz FLCCMWMHGCYTPQ-BZUAXINKSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001030025630 760725196 /nfs/dbraw/zinc/72/51/96/760725196.db2.gz FLCCMWMHGCYTPQ-BZUAXINKSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001030025630 760725205 /nfs/dbraw/zinc/72/52/05/760725205.db2.gz FLCCMWMHGCYTPQ-BZUAXINKSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001030025630 760725211 /nfs/dbraw/zinc/72/52/11/760725211.db2.gz FLCCMWMHGCYTPQ-BZUAXINKSA-N 2 2 334.464 0.448 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)[nH]2)C(C)(C)C1 ZINC000995921230 760779316 /nfs/dbraw/zinc/77/93/16/760779316.db2.gz HKATWUWVMMJUOZ-LSDHHAIUSA-N 2 2 344.463 0.537 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)[nH]2)C(C)(C)C1 ZINC000995921230 760779323 /nfs/dbraw/zinc/77/93/23/760779323.db2.gz HKATWUWVMMJUOZ-LSDHHAIUSA-N 2 2 344.463 0.537 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2CC[C@H](C)F)CC1 ZINC001051254271 761772997 /nfs/dbraw/zinc/77/29/97/761772997.db2.gz GKMVZJXBMPTMPP-DOTOQJQBSA-N 2 2 339.455 0.897 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2CC[C@H](C)F)CC1 ZINC001051254271 761772999 /nfs/dbraw/zinc/77/29/99/761772999.db2.gz GKMVZJXBMPTMPP-DOTOQJQBSA-N 2 2 339.455 0.897 20 30 ECEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052029923 763628355 /nfs/dbraw/zinc/62/83/55/763628355.db2.gz FIZAECYFJGNYFR-FGTMMUONSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052029923 763628356 /nfs/dbraw/zinc/62/83/56/763628356.db2.gz FIZAECYFJGNYFR-FGTMMUONSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001052040964 763664371 /nfs/dbraw/zinc/66/43/71/763664371.db2.gz NTAUHVVUEQBHLC-SFHVURJKSA-N 2 2 344.503 0.714 20 30 ECEDLP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052100290 763861137 /nfs/dbraw/zinc/86/11/37/763861137.db2.gz CGWKRSNXSZKTKO-QGZVFWFLSA-N 2 2 333.480 0.460 20 30 ECEDLP C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117078 763926947 /nfs/dbraw/zinc/92/69/47/763926947.db2.gz FSMOXGQLKRUJRS-HZPDHXFCSA-N 2 2 340.899 0.909 20 30 ECEDLP C=C(Cl)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117078 763926953 /nfs/dbraw/zinc/92/69/53/763926953.db2.gz FSMOXGQLKRUJRS-HZPDHXFCSA-N 2 2 340.899 0.909 20 30 ECEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334994 764394695 /nfs/dbraw/zinc/39/46/95/764394695.db2.gz SFSVOYFJJNXLLA-WJEHIRDRSA-N 2 2 325.840 0.793 20 30 ECEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015334994 764394705 /nfs/dbraw/zinc/39/47/05/764394705.db2.gz SFSVOYFJJNXLLA-WJEHIRDRSA-N 2 2 325.840 0.793 20 30 ECEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015334994 764394708 /nfs/dbraw/zinc/39/47/08/764394708.db2.gz SFSVOYFJJNXLLA-WJEHIRDRSA-N 2 2 325.840 0.793 20 30 ECEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015334994 764394718 /nfs/dbraw/zinc/39/47/18/764394718.db2.gz SFSVOYFJJNXLLA-WJEHIRDRSA-N 2 2 325.840 0.793 20 30 ECEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107011638 764666052 /nfs/dbraw/zinc/66/60/52/764666052.db2.gz LJLSBFKNRAICEL-KBAYOESNSA-N 2 2 333.476 0.805 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)CCO2 ZINC001053347580 766009958 /nfs/dbraw/zinc/00/99/58/766009958.db2.gz LLQMGTPVQWNGCE-UPTPFMHGSA-N 2 2 347.459 0.339 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)CCO2 ZINC001053347580 766009965 /nfs/dbraw/zinc/00/99/65/766009965.db2.gz LLQMGTPVQWNGCE-UPTPFMHGSA-N 2 2 347.459 0.339 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3snnc3C)C2)CC1 ZINC001016336389 766142108 /nfs/dbraw/zinc/14/21/08/766142108.db2.gz KGEGUESEWSFBNK-OAHLLOKOSA-N 2 2 347.488 0.882 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3snnc3C)C2)CC1 ZINC001016336389 766142112 /nfs/dbraw/zinc/14/21/12/766142112.db2.gz KGEGUESEWSFBNK-OAHLLOKOSA-N 2 2 347.488 0.882 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)COC1CC[NH+](C)CC1)CCO2 ZINC001053486765 766221545 /nfs/dbraw/zinc/22/15/45/766221545.db2.gz BIHAXMMWFODBFX-UHFFFAOYSA-N 2 2 337.464 0.587 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046028404 766691195 /nfs/dbraw/zinc/69/11/95/766691195.db2.gz BHQXRJUIXUBDCI-IAGOWNOFSA-N 2 2 333.480 0.601 20 30 ECEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046028404 766691197 /nfs/dbraw/zinc/69/11/97/766691197.db2.gz BHQXRJUIXUBDCI-IAGOWNOFSA-N 2 2 333.480 0.601 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001046062430 766832707 /nfs/dbraw/zinc/83/27/07/766832707.db2.gz GVXXIPDPPVJCBX-GVDBMIGSSA-N 2 2 343.475 0.928 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC001046062430 766832717 /nfs/dbraw/zinc/83/27/17/766832717.db2.gz GVXXIPDPPVJCBX-GVDBMIGSSA-N 2 2 343.475 0.928 20 30 ECEDLP C#CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001054036081 767635594 /nfs/dbraw/zinc/63/55/94/767635594.db2.gz BETALKLDJSOWLZ-RTBURBONSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CCC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001054036081 767635597 /nfs/dbraw/zinc/63/55/97/767635597.db2.gz BETALKLDJSOWLZ-RTBURBONSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001054036081 767635601 /nfs/dbraw/zinc/63/56/01/767635601.db2.gz BETALKLDJSOWLZ-RTBURBONSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001054036081 767635605 /nfs/dbraw/zinc/63/56/05/767635605.db2.gz BETALKLDJSOWLZ-RTBURBONSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001054058976 767655600 /nfs/dbraw/zinc/65/56/00/767655600.db2.gz CIDJEXSWEDBLBP-OALUTQOASA-N 2 2 341.455 0.883 20 30 ECEDLP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001054058976 767655605 /nfs/dbraw/zinc/65/56/05/767655605.db2.gz CIDJEXSWEDBLBP-OALUTQOASA-N 2 2 341.455 0.883 20 30 ECEDLP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001054058976 767655609 /nfs/dbraw/zinc/65/56/09/767655609.db2.gz CIDJEXSWEDBLBP-OALUTQOASA-N 2 2 341.455 0.883 20 30 ECEDLP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001054058976 767655614 /nfs/dbraw/zinc/65/56/14/767655614.db2.gz CIDJEXSWEDBLBP-OALUTQOASA-N 2 2 341.455 0.883 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CC2(CCNC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001168499556 768815242 /nfs/dbraw/zinc/81/52/42/768815242.db2.gz HQYVIYSBTBQXTK-HNNXBMFYSA-N 2 2 345.447 0.546 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)n2CC)C1 ZINC001018986248 770485684 /nfs/dbraw/zinc/48/56/84/770485684.db2.gz WXALJNSAQQXGJT-HOTGVXAUSA-N 2 2 344.463 0.395 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)n2CC)C1 ZINC001018986248 770485686 /nfs/dbraw/zinc/48/56/86/770485686.db2.gz WXALJNSAQQXGJT-HOTGVXAUSA-N 2 2 344.463 0.395 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001018986202 770485758 /nfs/dbraw/zinc/48/57/58/770485758.db2.gz VLJLVRIBFDTESU-KKUMJFAQSA-N 2 2 344.463 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(CC)[nH]2)C1 ZINC001018986202 770485763 /nfs/dbraw/zinc/48/57/63/770485763.db2.gz VLJLVRIBFDTESU-KKUMJFAQSA-N 2 2 344.463 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001020250692 772350992 /nfs/dbraw/zinc/35/09/92/772350992.db2.gz LKOHSLFZYNHOKX-KKUMJFAQSA-N 2 2 343.431 0.781 20 30 ECEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070076512 790522623 /nfs/dbraw/zinc/52/26/23/790522623.db2.gz QNQNSSZXGCBVGT-CABCVRRESA-N 2 2 329.408 0.172 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070076512 790522632 /nfs/dbraw/zinc/52/26/32/790522632.db2.gz QNQNSSZXGCBVGT-CABCVRRESA-N 2 2 329.408 0.172 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001070518360 784220306 /nfs/dbraw/zinc/22/03/06/784220306.db2.gz VUTJOIODATWQJS-GOEBONIOSA-N 2 2 328.420 0.777 20 30 ECEDLP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001070984182 784322040 /nfs/dbraw/zinc/32/20/40/784322040.db2.gz XPKSZKSGSABEEF-UHFFFAOYSA-N 2 2 347.463 0.890 20 30 ECEDLP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001070984182 784322050 /nfs/dbraw/zinc/32/20/50/784322050.db2.gz XPKSZKSGSABEEF-UHFFFAOYSA-N 2 2 347.463 0.890 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1NCC#N ZINC001070664345 784521840 /nfs/dbraw/zinc/52/18/40/784521840.db2.gz LCHOPRCPRATFNX-HZPDHXFCSA-N 2 2 349.398 0.789 20 30 ECEDLP C#CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C(=O)C1 ZINC001071258972 784866275 /nfs/dbraw/zinc/86/62/75/784866275.db2.gz VKRAYVAICZRYEQ-SJORKVTESA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258972 784866283 /nfs/dbraw/zinc/86/62/83/784866283.db2.gz VKRAYVAICZRYEQ-SJORKVTESA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258972 784866295 /nfs/dbraw/zinc/86/62/95/784866295.db2.gz VKRAYVAICZRYEQ-SJORKVTESA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258972 784866305 /nfs/dbraw/zinc/86/63/05/784866305.db2.gz VKRAYVAICZRYEQ-SJORKVTESA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670515 786925975 /nfs/dbraw/zinc/92/59/75/786925975.db2.gz IFRRHSYQEQEUMG-WBVHZDCISA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670515 786925981 /nfs/dbraw/zinc/92/59/81/786925981.db2.gz IFRRHSYQEQEUMG-WBVHZDCISA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001073449054 789856373 /nfs/dbraw/zinc/85/63/73/789856373.db2.gz LMUWPZCZNNBUDV-KRWDZBQOSA-N 2 2 331.460 0.655 20 30 ECEDLP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001073449054 789856377 /nfs/dbraw/zinc/85/63/77/789856377.db2.gz LMUWPZCZNNBUDV-KRWDZBQOSA-N 2 2 331.460 0.655 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267455410 837440372 /nfs/dbraw/zinc/44/03/72/837440372.db2.gz ZGGKWCXXXFAKQO-JKSUJKDBSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267455410 837440373 /nfs/dbraw/zinc/44/03/73/837440373.db2.gz ZGGKWCXXXFAKQO-JKSUJKDBSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267455410 837440379 /nfs/dbraw/zinc/44/03/79/837440379.db2.gz ZGGKWCXXXFAKQO-JKSUJKDBSA-N 2 2 336.480 0.696 20 30 ECEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267575949 837828033 /nfs/dbraw/zinc/82/80/33/837828033.db2.gz OJBATJBNXXGXBT-DLBZAZTESA-N 2 2 333.480 0.603 20 30 ECEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267575949 837828046 /nfs/dbraw/zinc/82/80/46/837828046.db2.gz OJBATJBNXXGXBT-DLBZAZTESA-N 2 2 333.480 0.603 20 30 ECEDLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CCCCC1 ZINC001266334160 835717066 /nfs/dbraw/zinc/71/70/66/835717066.db2.gz ZKRTXLWPUGEDCY-HNNXBMFYSA-N 2 2 349.479 0.329 20 30 ECEDLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CCCCC1 ZINC001266334160 835717071 /nfs/dbraw/zinc/71/70/71/835717071.db2.gz ZKRTXLWPUGEDCY-HNNXBMFYSA-N 2 2 349.479 0.329 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCCCC)C2)CC1 ZINC001266361894 835772594 /nfs/dbraw/zinc/77/25/94/835772594.db2.gz UMAYZYBZTQTRCH-QGZVFWFLSA-N 2 2 348.491 0.438 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCCCC)C2)CC1 ZINC001266361894 835772603 /nfs/dbraw/zinc/77/26/03/835772603.db2.gz UMAYZYBZTQTRCH-QGZVFWFLSA-N 2 2 348.491 0.438 20 30 ECEDLP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001266419707 835824322 /nfs/dbraw/zinc/82/43/22/835824322.db2.gz BJGNXJZIQCQLFH-SQNIBIBYSA-N 2 2 349.475 0.374 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001266872055 836419461 /nfs/dbraw/zinc/41/94/61/836419461.db2.gz HCPCYFCFQVQFOS-OAHLLOKOSA-N 2 2 347.463 0.626 20 30 ECEDLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267094553 836752752 /nfs/dbraw/zinc/75/27/52/836752752.db2.gz URGIURIRCJCHQK-ZIAGYGMSSA-N 2 2 346.435 0.009 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001267208743 836993979 /nfs/dbraw/zinc/99/39/79/836993979.db2.gz WJBZJPAJINZUQB-ZIAGYGMSSA-N 2 2 347.463 0.860 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001267326669 837205141 /nfs/dbraw/zinc/20/51/41/837205141.db2.gz XXWZOXJHSPHDID-RDJZCZTQSA-N 2 2 348.491 0.578 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001267326669 837205146 /nfs/dbraw/zinc/20/51/46/837205146.db2.gz XXWZOXJHSPHDID-RDJZCZTQSA-N 2 2 348.491 0.578 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001267326669 837205154 /nfs/dbraw/zinc/20/51/54/837205154.db2.gz XXWZOXJHSPHDID-RDJZCZTQSA-N 2 2 348.491 0.578 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001267326669 837205164 /nfs/dbraw/zinc/20/51/64/837205164.db2.gz XXWZOXJHSPHDID-RDJZCZTQSA-N 2 2 348.491 0.578 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC(C)C)C2)CC1 ZINC001267734911 838429022 /nfs/dbraw/zinc/42/90/22/838429022.db2.gz DYOLQOFLESHZPK-INIZCTEOSA-N 2 2 334.464 0.047 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC(C)C)C2)CC1 ZINC001267734911 838429026 /nfs/dbraw/zinc/42/90/26/838429026.db2.gz DYOLQOFLESHZPK-INIZCTEOSA-N 2 2 334.464 0.047 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001267971413 838893795 /nfs/dbraw/zinc/89/37/95/838893795.db2.gz VBCVYROLTNOXCG-UONOGXRCSA-N 2 2 333.436 0.532 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486355 207023350 /nfs/dbraw/zinc/02/33/50/207023350.db2.gz NWZAYVWVZLKWTM-SFHVURJKSA-N 2 2 342.443 0.923 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486355 207023354 /nfs/dbraw/zinc/02/33/54/207023354.db2.gz NWZAYVWVZLKWTM-SFHVURJKSA-N 2 2 342.443 0.923 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486355 207023359 /nfs/dbraw/zinc/02/33/59/207023359.db2.gz NWZAYVWVZLKWTM-SFHVURJKSA-N 2 2 342.443 0.923 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000174486355 207023364 /nfs/dbraw/zinc/02/33/64/207023364.db2.gz NWZAYVWVZLKWTM-SFHVURJKSA-N 2 2 342.443 0.923 20 30 ECEDLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000329161085 286093002 /nfs/dbraw/zinc/09/30/02/286093002.db2.gz FCRXSQBCQJFXRV-JYJNAYRXSA-N 2 2 340.468 0.416 20 30 ECEDLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000329161085 286093003 /nfs/dbraw/zinc/09/30/03/286093003.db2.gz FCRXSQBCQJFXRV-JYJNAYRXSA-N 2 2 340.468 0.416 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)Cn2c3ccccc3[nH+]c2NCCO)CC1 ZINC000490779335 421164801 /nfs/dbraw/zinc/16/48/01/421164801.db2.gz VDSHXVRMWOFMKQ-UHFFFAOYSA-N 2 2 341.415 0.218 20 30 ECEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000529375768 268219591 /nfs/dbraw/zinc/21/95/91/268219591.db2.gz RFHBEVBAGADUKY-KRWDZBQOSA-N 2 2 343.431 0.374 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC(N)=O)C2CCCCC2)CC1 ZINC000490938161 277688324 /nfs/dbraw/zinc/68/83/24/277688324.db2.gz WKZQDCJLAQVDBX-INIZCTEOSA-N 2 2 334.464 0.178 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000245944934 436769596 /nfs/dbraw/zinc/76/95/96/436769596.db2.gz BGVBFQXOVVPTIN-DLBZAZTESA-N 2 2 335.496 0.562 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000245944934 436769600 /nfs/dbraw/zinc/76/96/00/436769600.db2.gz BGVBFQXOVVPTIN-DLBZAZTESA-N 2 2 335.496 0.562 20 30 ECEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ncccc3C#N)CC2)CC1 ZINC000275236234 436945013 /nfs/dbraw/zinc/94/50/13/436945013.db2.gz MJOZJVZZGAEAMZ-UHFFFAOYSA-N 2 2 342.447 0.239 20 30 ECEDLP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+](C)Cc1ccccc1 ZINC000264968393 437101148 /nfs/dbraw/zinc/10/11/48/437101148.db2.gz DFUCCAHUVDJXFM-UHFFFAOYSA-N 2 2 333.480 0.616 20 30 ECEDLP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+](C)Cc1ccccc1 ZINC000264968393 437101153 /nfs/dbraw/zinc/10/11/53/437101153.db2.gz DFUCCAHUVDJXFM-UHFFFAOYSA-N 2 2 333.480 0.616 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177487458 437188320 /nfs/dbraw/zinc/18/83/20/437188320.db2.gz MEZCRFSBNNEQTE-AWEZNQCLSA-N 2 2 340.468 0.866 20 30 ECEDLP C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000336925434 437312871 /nfs/dbraw/zinc/31/28/71/437312871.db2.gz WHKZFPHKAGWBFT-AWEZNQCLSA-N 2 2 345.513 0.280 20 30 ECEDLP C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000336925434 437312873 /nfs/dbraw/zinc/31/28/73/437312873.db2.gz WHKZFPHKAGWBFT-AWEZNQCLSA-N 2 2 345.513 0.280 20 30 ECEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000329229639 437338693 /nfs/dbraw/zinc/33/86/93/437338693.db2.gz JKNTVNMGXLIYTB-KFWWJZLASA-N 2 2 333.436 0.907 20 30 ECEDLP CN1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H]1C#N ZINC000364223473 437812797 /nfs/dbraw/zinc/81/27/97/437812797.db2.gz SKEISRNFTZFEFA-QGZVFWFLSA-N 2 2 348.495 0.394 20 30 ECEDLP COC(=O)[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000341878519 437918004 /nfs/dbraw/zinc/91/80/04/437918004.db2.gz VICBEAIVLVBMJM-IYBDPMFKSA-N 2 2 336.432 0.760 20 30 ECEDLP COC(=O)[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000341878519 437918012 /nfs/dbraw/zinc/91/80/12/437918012.db2.gz VICBEAIVLVBMJM-IYBDPMFKSA-N 2 2 336.432 0.760 20 30 ECEDLP COC(=O)[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000341878519 437918016 /nfs/dbraw/zinc/91/80/16/437918016.db2.gz VICBEAIVLVBMJM-IYBDPMFKSA-N 2 2 336.432 0.760 20 30 ECEDLP COC(=O)[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000341878519 437918020 /nfs/dbraw/zinc/91/80/20/437918020.db2.gz VICBEAIVLVBMJM-IYBDPMFKSA-N 2 2 336.432 0.760 20 30 ECEDLP OCC[C@@H]1CSCC[NH+]1CC#CC[N@H+]1CCSC[C@H]1CCO ZINC000341886587 437919311 /nfs/dbraw/zinc/91/93/11/437919311.db2.gz GQCYATHWRCXGMP-HZPDHXFCSA-N 2 2 344.546 0.589 20 30 ECEDLP OCC[C@@H]1CSCC[NH+]1CC#CC[N@@H+]1CCSC[C@H]1CCO ZINC000341886587 437919314 /nfs/dbraw/zinc/91/93/14/437919314.db2.gz GQCYATHWRCXGMP-HZPDHXFCSA-N 2 2 344.546 0.589 20 30 ECEDLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424161922 437895585 /nfs/dbraw/zinc/89/55/85/437895585.db2.gz ZAQJRBAUJOVLLF-HUUCEWRRSA-N 2 2 335.452 0.163 20 30 ECEDLP N#CCCC[C@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000424158986 437895750 /nfs/dbraw/zinc/89/57/50/437895750.db2.gz RTGPNLIEYSWPNK-ZFWWWQNUSA-N 2 2 326.466 0.332 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000366485932 438085263 /nfs/dbraw/zinc/08/52/63/438085263.db2.gz XAYTTWYTFRCEJA-IEBWSBKVSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000366485932 438085268 /nfs/dbraw/zinc/08/52/68/438085268.db2.gz XAYTTWYTFRCEJA-IEBWSBKVSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366485932 438085271 /nfs/dbraw/zinc/08/52/71/438085271.db2.gz XAYTTWYTFRCEJA-IEBWSBKVSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366485932 438085276 /nfs/dbraw/zinc/08/52/76/438085276.db2.gz XAYTTWYTFRCEJA-IEBWSBKVSA-N 2 2 347.507 0.706 20 30 ECEDLP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1CCC#N ZINC000596816821 439004804 /nfs/dbraw/zinc/00/48/04/439004804.db2.gz NNCYQDUGJWJFTD-UHFFFAOYSA-N 2 2 335.456 1.110 20 30 ECEDLP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1CCC#N ZINC000596816821 439004807 /nfs/dbraw/zinc/00/48/07/439004807.db2.gz NNCYQDUGJWJFTD-UHFFFAOYSA-N 2 2 335.456 1.110 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CONC(=[NH2+])COc2cccc(F)c2)CC1 ZINC000491037489 439323096 /nfs/dbraw/zinc/32/30/96/439323096.db2.gz DPPAQSXOKOTAGR-UHFFFAOYSA-N 2 2 348.378 0.480 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)CC1 ZINC000491178783 439344833 /nfs/dbraw/zinc/34/48/33/439344833.db2.gz BJCBWJDPTFPIPH-AWEZNQCLSA-N 2 2 325.416 0.991 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CONC(=[NH2+])c2ccc(F)cc2F)CC1 ZINC000491506279 439396728 /nfs/dbraw/zinc/39/67/28/439396728.db2.gz ORCXJBSJSFSJQD-UHFFFAOYSA-N 2 2 336.342 0.589 20 30 ECEDLP C=CCc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc(OC)c1O ZINC000571344594 439497098 /nfs/dbraw/zinc/49/70/98/439497098.db2.gz VLTNOQVVFFXVRM-GJZGRUSLSA-N 2 2 331.416 0.873 20 30 ECEDLP C=CCc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc(OC)c1O ZINC000571344594 439497100 /nfs/dbraw/zinc/49/71/00/439497100.db2.gz VLTNOQVVFFXVRM-GJZGRUSLSA-N 2 2 331.416 0.873 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000594821193 439621431 /nfs/dbraw/zinc/62/14/31/439621431.db2.gz KNSGJWJAMCVKFL-UHFFFAOYSA-N 2 2 338.477 0.861 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000594821193 439621435 /nfs/dbraw/zinc/62/14/35/439621435.db2.gz KNSGJWJAMCVKFL-UHFFFAOYSA-N 2 2 338.477 0.861 20 30 ECEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2nnc3n2CCOC3)cc1 ZINC000797845450 578635811 /nfs/dbraw/zinc/63/58/11/578635811.db2.gz QQRYUSZOUSFMPV-UHFFFAOYSA-N 2 2 330.392 0.707 20 30 ECEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCC2CS(=O)(=O)C2)cc1 ZINC000790438354 578874065 /nfs/dbraw/zinc/87/40/65/578874065.db2.gz MAPZEDUFZKLNHQ-UHFFFAOYSA-N 2 2 325.434 0.820 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000900215958 586531690 /nfs/dbraw/zinc/53/16/90/586531690.db2.gz IOWCELHPXZVMQJ-UHFFFAOYSA-N 2 2 344.459 0.938 20 30 ECEDLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000900609086 586647295 /nfs/dbraw/zinc/64/72/95/586647295.db2.gz VCMQZJZCPKMRID-CQSZACIVSA-N 2 2 336.436 0.366 20 30 ECEDLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000900609086 586647297 /nfs/dbraw/zinc/64/72/97/586647297.db2.gz VCMQZJZCPKMRID-CQSZACIVSA-N 2 2 336.436 0.366 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000900585320 586647775 /nfs/dbraw/zinc/64/77/75/586647775.db2.gz MOPPGZUEJRIAIO-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000900585320 586647777 /nfs/dbraw/zinc/64/77/77/586647777.db2.gz MOPPGZUEJRIAIO-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900585320 586647778 /nfs/dbraw/zinc/64/77/78/586647778.db2.gz MOPPGZUEJRIAIO-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900585320 586647779 /nfs/dbraw/zinc/64/77/79/586647779.db2.gz MOPPGZUEJRIAIO-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)c2cccn2CC[NH+]2CCOCC2)CC1 ZINC000906483095 586952087 /nfs/dbraw/zinc/95/20/87/586952087.db2.gz BIYCSHDXRGTPJH-UHFFFAOYSA-N 2 2 344.459 0.601 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3ncon3)C2)CC1 ZINC000808085097 587143411 /nfs/dbraw/zinc/14/34/11/587143411.db2.gz URMWVUPLIOWGFF-OAHLLOKOSA-N 2 2 345.447 0.743 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3ncon3)C2)CC1 ZINC000808085097 587143412 /nfs/dbraw/zinc/14/34/12/587143412.db2.gz URMWVUPLIOWGFF-OAHLLOKOSA-N 2 2 345.447 0.743 20 30 ECEDLP C#C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000827564576 588128595 /nfs/dbraw/zinc/12/85/95/588128595.db2.gz DNBIDDHSPBYIMJ-LJQANCHMSA-N 2 2 335.492 0.801 20 30 ECEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CCOCC1 ZINC000827564576 588128597 /nfs/dbraw/zinc/12/85/97/588128597.db2.gz DNBIDDHSPBYIMJ-LJQANCHMSA-N 2 2 335.492 0.801 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)CC1 ZINC000859520873 589846984 /nfs/dbraw/zinc/84/69/84/589846984.db2.gz ZBZWDGXFVLRXRL-QGZVFWFLSA-N 2 2 349.475 0.017 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)CC1 ZINC000859520873 589846988 /nfs/dbraw/zinc/84/69/88/589846988.db2.gz ZBZWDGXFVLRXRL-QGZVFWFLSA-N 2 2 349.475 0.017 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868652311 589919345 /nfs/dbraw/zinc/91/93/45/589919345.db2.gz CHOTVUJHLMABLD-UHFFFAOYSA-N 2 2 344.463 0.301 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000868652311 589919348 /nfs/dbraw/zinc/91/93/48/589919348.db2.gz CHOTVUJHLMABLD-UHFFFAOYSA-N 2 2 344.463 0.301 20 30 ECEDLP CN(C(=O)[C@]1(C#N)CCCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865728820 590155952 /nfs/dbraw/zinc/15/59/52/590155952.db2.gz YZADOQQPOXNQPT-WMZOPIPTSA-N 2 2 334.464 0.934 20 30 ECEDLP CN(C(=O)[C@]1(C#N)CCCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865728820 590155954 /nfs/dbraw/zinc/15/59/54/590155954.db2.gz YZADOQQPOXNQPT-WMZOPIPTSA-N 2 2 334.464 0.934 20 30 ECEDLP C#CC[C@@H](COC)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000875925367 590347212 /nfs/dbraw/zinc/34/72/12/590347212.db2.gz QFUDUYOOKYHECV-DOTOQJQBSA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[C@@H](COC)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000875925367 590347214 /nfs/dbraw/zinc/34/72/14/590347214.db2.gz QFUDUYOOKYHECV-DOTOQJQBSA-N 2 2 336.480 0.835 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000876738120 590406304 /nfs/dbraw/zinc/40/63/04/590406304.db2.gz YYMUVFSDMFTKGG-JSGCOSHPSA-N 2 2 333.885 0.780 20 30 ECEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)[C@H](C)CO1 ZINC000876960720 590429674 /nfs/dbraw/zinc/42/96/74/590429674.db2.gz LLYFBIZKTOBVLU-LBTNJELSSA-N 2 2 342.443 0.970 20 30 ECEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)[C@H](C)CO1 ZINC000876960720 590429675 /nfs/dbraw/zinc/42/96/75/590429675.db2.gz LLYFBIZKTOBVLU-LBTNJELSSA-N 2 2 342.443 0.970 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000884179577 590764138 /nfs/dbraw/zinc/76/41/38/590764138.db2.gz UEGAGOJXULQARP-INIZCTEOSA-N 2 2 347.415 0.904 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000884185777 590765932 /nfs/dbraw/zinc/76/59/32/590765932.db2.gz HELMUXZDAJTWGB-CABCVRRESA-N 2 2 339.436 0.193 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000890364250 591151731 /nfs/dbraw/zinc/15/17/31/591151731.db2.gz YGSSHWKDYHBLKV-BBWFWOEESA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)C1 ZINC000890364250 591151734 /nfs/dbraw/zinc/15/17/34/591151734.db2.gz YGSSHWKDYHBLKV-BBWFWOEESA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000890364250 591151737 /nfs/dbraw/zinc/15/17/37/591151737.db2.gz YGSSHWKDYHBLKV-BBWFWOEESA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000890364250 591151739 /nfs/dbraw/zinc/15/17/39/591151739.db2.gz YGSSHWKDYHBLKV-BBWFWOEESA-N 2 2 336.480 0.835 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000907775253 609619841 /nfs/dbraw/zinc/61/98/41/609619841.db2.gz FHQSKOZLIGKHAI-UHFFFAOYSA-N 2 2 339.480 0.880 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCN(C3C[NH+](CC=C)C3)CC2)CC1 ZINC000941677050 610449912 /nfs/dbraw/zinc/44/99/12/610449912.db2.gz ISILWOLKMSLSSP-UHFFFAOYSA-N 2 2 330.476 0.346 20 30 ECEDLP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000834506753 611288775 /nfs/dbraw/zinc/28/87/75/611288775.db2.gz VPBKOXHUSHFFJC-NWDGAFQWSA-N 2 2 326.316 0.622 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nccn1C ZINC001024987468 738461906 /nfs/dbraw/zinc/46/19/06/738461906.db2.gz LOOGMUYEUFRSSH-SJORKVTESA-N 2 2 343.475 0.988 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nccn1C ZINC001024987468 738461908 /nfs/dbraw/zinc/46/19/08/738461908.db2.gz LOOGMUYEUFRSSH-SJORKVTESA-N 2 2 343.475 0.988 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)Cc3c[nH]c[nH+]3)CC2)C1=O ZINC001167331542 733797854 /nfs/dbraw/zinc/79/78/54/733797854.db2.gz PMJUGAFZYFSRGV-OAHLLOKOSA-N 2 2 345.447 0.615 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167421958 734210483 /nfs/dbraw/zinc/21/04/83/734210483.db2.gz DEORLERCAAFULQ-AWEZNQCLSA-N 2 2 347.463 0.767 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167421958 734210485 /nfs/dbraw/zinc/21/04/85/734210485.db2.gz DEORLERCAAFULQ-AWEZNQCLSA-N 2 2 347.463 0.767 20 30 ECEDLP C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N(C)CC1([NH+](C)C)CCC1 ZINC000262346450 736583952 /nfs/dbraw/zinc/58/39/52/736583952.db2.gz DKZFECVEVKXJBG-CYBMUJFWSA-N 2 2 330.498 0.413 20 30 ECEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC000972589980 736999682 /nfs/dbraw/zinc/99/96/82/736999682.db2.gz MMPLALXRUBUJMB-GOSISDBHSA-N 2 2 347.463 0.548 20 30 ECEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC000972589980 736999686 /nfs/dbraw/zinc/99/96/86/736999686.db2.gz MMPLALXRUBUJMB-GOSISDBHSA-N 2 2 347.463 0.548 20 30 ECEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C[C@@H](C)O2 ZINC001098578465 737070754 /nfs/dbraw/zinc/07/07/54/737070754.db2.gz VGQYGVHECGBGMQ-SJORKVTESA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@@H](C)O2 ZINC001098578465 737070760 /nfs/dbraw/zinc/07/07/60/737070760.db2.gz VGQYGVHECGBGMQ-SJORKVTESA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC001105240589 741533936 /nfs/dbraw/zinc/53/39/36/741533936.db2.gz SSJGAZWYPLEHBD-MRXNPFEDSA-N 2 2 330.436 0.257 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105240589 741533937 /nfs/dbraw/zinc/53/39/37/741533937.db2.gz SSJGAZWYPLEHBD-MRXNPFEDSA-N 2 2 330.436 0.257 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001026879887 742016750 /nfs/dbraw/zinc/01/67/50/742016750.db2.gz DIDKRRRLVWKHKD-ZBFHGGJFSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001026879887 742016755 /nfs/dbraw/zinc/01/67/55/742016755.db2.gz DIDKRRRLVWKHKD-ZBFHGGJFSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nc(C)no2)C1 ZINC001026894092 742039833 /nfs/dbraw/zinc/03/98/33/742039833.db2.gz VSQXPOFRXVYRQW-CABCVRRESA-N 2 2 331.420 0.414 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC000998297570 744105672 /nfs/dbraw/zinc/10/56/72/744105672.db2.gz LUOJPEJMWKGLGX-MRXNPFEDSA-N 2 2 345.447 0.498 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000998821966 744360273 /nfs/dbraw/zinc/36/02/73/744360273.db2.gz FNFHTOZYQBUFLH-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000998821966 744360276 /nfs/dbraw/zinc/36/02/76/744360276.db2.gz FNFHTOZYQBUFLH-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001000312724 745421267 /nfs/dbraw/zinc/42/12/67/745421267.db2.gz PEKJITMBJUNDMQ-ZFWWWQNUSA-N 2 2 331.420 0.320 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC000983900120 745473526 /nfs/dbraw/zinc/47/35/26/745473526.db2.gz FJMWULBVZWZPIQ-TUUVXOQKSA-N 2 2 344.463 0.756 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC000983900120 745473528 /nfs/dbraw/zinc/47/35/28/745473528.db2.gz FJMWULBVZWZPIQ-TUUVXOQKSA-N 2 2 344.463 0.756 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)[C@@H]1CC ZINC001087608219 746116422 /nfs/dbraw/zinc/11/64/22/746116422.db2.gz WPABGLGPPZELQL-BBWFWOEESA-N 2 2 344.463 0.345 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)[C@@H]1CC ZINC001087608219 746116425 /nfs/dbraw/zinc/11/64/25/746116425.db2.gz WPABGLGPPZELQL-BBWFWOEESA-N 2 2 344.463 0.345 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2cncn2)[C@@H]1CC ZINC001087608219 746116431 /nfs/dbraw/zinc/11/64/31/746116431.db2.gz WPABGLGPPZELQL-BBWFWOEESA-N 2 2 344.463 0.345 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2cncn2)[C@@H]1CC ZINC001087608219 746116438 /nfs/dbraw/zinc/11/64/38/746116438.db2.gz WPABGLGPPZELQL-BBWFWOEESA-N 2 2 344.463 0.345 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnnn2C)CC1 ZINC001001492523 746430687 /nfs/dbraw/zinc/43/06/87/746430687.db2.gz RJIAQCXKLYWEQT-KRWDZBQOSA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2cnnn2C)CC1 ZINC001001492523 746430688 /nfs/dbraw/zinc/43/06/88/746430688.db2.gz RJIAQCXKLYWEQT-KRWDZBQOSA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001088238296 747857132 /nfs/dbraw/zinc/85/71/32/747857132.db2.gz QOIBGBYJZDRWCK-QGZVFWFLSA-N 2 2 330.432 0.915 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001088238296 747857135 /nfs/dbraw/zinc/85/71/35/747857135.db2.gz QOIBGBYJZDRWCK-QGZVFWFLSA-N 2 2 330.432 0.915 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001029852893 748830569 /nfs/dbraw/zinc/83/05/69/748830569.db2.gz JJPJADWGWFQYSR-ZBFHGGJFSA-N 2 2 345.447 0.519 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001029852893 748830576 /nfs/dbraw/zinc/83/05/76/748830576.db2.gz JJPJADWGWFQYSR-ZBFHGGJFSA-N 2 2 345.447 0.519 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCc1ccnn1C ZINC001027943915 749675979 /nfs/dbraw/zinc/67/59/79/749675979.db2.gz PDEYIVAOHQGHCU-MSOLQXFVSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCc1ccnn1C ZINC001027943915 749675987 /nfs/dbraw/zinc/67/59/87/749675987.db2.gz PDEYIVAOHQGHCU-MSOLQXFVSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCc1ccnn1C ZINC001027943915 749676000 /nfs/dbraw/zinc/67/60/00/749676000.db2.gz PDEYIVAOHQGHCU-MSOLQXFVSA-N 2 2 343.475 0.641 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC000980539433 749708913 /nfs/dbraw/zinc/70/89/13/749708913.db2.gz QWQXTLBLMMRSMV-HUUCEWRRSA-N 2 2 331.420 0.203 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC000980539433 749708921 /nfs/dbraw/zinc/70/89/21/749708921.db2.gz QWQXTLBLMMRSMV-HUUCEWRRSA-N 2 2 331.420 0.203 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001088505341 750186676 /nfs/dbraw/zinc/18/66/76/750186676.db2.gz FHTBWYIAOAXSQP-JLSDUUJJSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088505341 750186680 /nfs/dbraw/zinc/18/66/80/750186680.db2.gz FHTBWYIAOAXSQP-JLSDUUJJSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001088505341 750186682 /nfs/dbraw/zinc/18/66/82/750186682.db2.gz FHTBWYIAOAXSQP-JLSDUUJJSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001088505341 750186684 /nfs/dbraw/zinc/18/66/84/750186684.db2.gz FHTBWYIAOAXSQP-JLSDUUJJSA-N 2 2 342.443 0.968 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C)no3)[C@H]2C)CC1 ZINC000987576150 750992717 /nfs/dbraw/zinc/99/27/17/750992717.db2.gz NKBVTIRUIGRFTJ-CZUORRHYSA-N 2 2 345.447 0.802 20 30 ECEDLP C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001098649782 753709364 /nfs/dbraw/zinc/70/93/64/753709364.db2.gz VQYFQAVUPFYEQU-HOTGVXAUSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001098649782 753709370 /nfs/dbraw/zinc/70/93/70/753709370.db2.gz VQYFQAVUPFYEQU-HOTGVXAUSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710545 754787447 /nfs/dbraw/zinc/78/74/47/754787447.db2.gz WOIFUNRNVVXGMC-ZACQAIPSSA-N 2 2 337.464 0.490 20 30 ECEDLP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028710545 754787448 /nfs/dbraw/zinc/78/74/48/754787448.db2.gz WOIFUNRNVVXGMC-ZACQAIPSSA-N 2 2 337.464 0.490 20 30 ECEDLP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105656814 755207406 /nfs/dbraw/zinc/20/74/06/755207406.db2.gz UEYXKWZXHSKOFK-RWQQGDIJSA-N 2 2 344.459 0.942 20 30 ECEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126448416 755433490 /nfs/dbraw/zinc/43/34/90/755433490.db2.gz UXAGGSNUDGWXPE-AWEZNQCLSA-N 2 2 335.452 0.861 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436674 756135142 /nfs/dbraw/zinc/13/51/42/756135142.db2.gz RFJYUWKHCHEHIZ-SJORKVTESA-N 2 2 328.416 0.579 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436674 756135144 /nfs/dbraw/zinc/13/51/44/756135144.db2.gz RFJYUWKHCHEHIZ-SJORKVTESA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436674 756135146 /nfs/dbraw/zinc/13/51/46/756135146.db2.gz RFJYUWKHCHEHIZ-SJORKVTESA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001010436674 756135148 /nfs/dbraw/zinc/13/51/48/756135148.db2.gz RFJYUWKHCHEHIZ-SJORKVTESA-N 2 2 328.416 0.579 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001011063216 756861038 /nfs/dbraw/zinc/86/10/38/756861038.db2.gz QRHYSOSUTMZZFS-HNNXBMFYSA-N 2 2 343.431 0.111 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001011063216 756861047 /nfs/dbraw/zinc/86/10/47/756861047.db2.gz QRHYSOSUTMZZFS-HNNXBMFYSA-N 2 2 343.431 0.111 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996082654 756936785 /nfs/dbraw/zinc/93/67/85/756936785.db2.gz COTCCRKNVQRMFA-IAGOWNOFSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996082654 756936788 /nfs/dbraw/zinc/93/67/88/756936788.db2.gz COTCCRKNVQRMFA-IAGOWNOFSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nnc(C)o3)C[C@@H]2C1 ZINC001048868582 757233088 /nfs/dbraw/zinc/23/30/88/757233088.db2.gz FSNFRWQRECWJLU-XHSDSOJGSA-N 2 2 343.431 0.366 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nnc(C)o3)C[C@@H]2C1 ZINC001048868582 757233094 /nfs/dbraw/zinc/23/30/94/757233094.db2.gz FSNFRWQRECWJLU-XHSDSOJGSA-N 2 2 343.431 0.366 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnc(C)o3)C[C@@H]2C1 ZINC001048868582 757233101 /nfs/dbraw/zinc/23/31/01/757233101.db2.gz FSNFRWQRECWJLU-XHSDSOJGSA-N 2 2 343.431 0.366 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nnc(C)o3)C[C@@H]2C1 ZINC001048868582 757233109 /nfs/dbraw/zinc/23/31/09/757233109.db2.gz FSNFRWQRECWJLU-XHSDSOJGSA-N 2 2 343.431 0.366 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+](C)CC(C)(C)C)nn2)C1 ZINC001107211991 757741086 /nfs/dbraw/zinc/74/10/86/757741086.db2.gz JFPMIPCDIUFDMY-UHFFFAOYSA-N 2 2 346.479 0.752 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+](C)CC(C)(C)C)nn2)C1 ZINC001107211991 757741092 /nfs/dbraw/zinc/74/10/92/757741092.db2.gz JFPMIPCDIUFDMY-UHFFFAOYSA-N 2 2 346.479 0.752 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccon2)C1 ZINC001051659744 762615875 /nfs/dbraw/zinc/61/58/75/762615875.db2.gz AFTQLNXJTFNXLG-CVEARBPZSA-N 2 2 332.404 0.089 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccon2)C1 ZINC001051659744 762615876 /nfs/dbraw/zinc/61/58/76/762615876.db2.gz AFTQLNXJTFNXLG-CVEARBPZSA-N 2 2 332.404 0.089 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC001022221057 758442739 /nfs/dbraw/zinc/44/27/39/758442739.db2.gz WKEVQFBISRORQL-UXLLHSPISA-N 2 2 344.463 0.693 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC001022221057 758442744 /nfs/dbraw/zinc/44/27/44/758442744.db2.gz WKEVQFBISRORQL-UXLLHSPISA-N 2 2 344.463 0.693 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ncccn2)C1 ZINC001022220938 758443069 /nfs/dbraw/zinc/44/30/69/758443069.db2.gz URMRYAKHYHHCFV-WCVJEAGWSA-N 2 2 327.432 0.872 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ncccn2)C1 ZINC001022220938 758443073 /nfs/dbraw/zinc/44/30/73/758443073.db2.gz URMRYAKHYHHCFV-WCVJEAGWSA-N 2 2 327.432 0.872 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(CC)o2)CC1 ZINC000996687560 758475361 /nfs/dbraw/zinc/47/53/61/758475361.db2.gz XQXUFYSZUHCSGN-HNNXBMFYSA-N 2 2 345.447 0.810 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(CC)o2)CC1 ZINC000996687560 758475367 /nfs/dbraw/zinc/47/53/67/758475367.db2.gz XQXUFYSZUHCSGN-HNNXBMFYSA-N 2 2 345.447 0.810 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106226017 767970520 /nfs/dbraw/zinc/97/05/20/767970520.db2.gz OLZIWEJQXSYKQX-RBSFLKMASA-N 2 2 345.447 0.164 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106226017 767970523 /nfs/dbraw/zinc/97/05/23/767970523.db2.gz OLZIWEJQXSYKQX-RBSFLKMASA-N 2 2 345.447 0.164 20 30 ECEDLP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)[NH+]1CCCCCC1 ZINC001052094054 763840395 /nfs/dbraw/zinc/84/03/95/763840395.db2.gz WKBKEDOSAZVRCJ-ZWKOTPCHSA-N 2 2 347.507 0.993 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001047415001 764274110 /nfs/dbraw/zinc/27/41/10/764274110.db2.gz AVZAXIPEIDFGRQ-XSLAGTTESA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001047415001 764274114 /nfs/dbraw/zinc/27/41/14/764274114.db2.gz AVZAXIPEIDFGRQ-XSLAGTTESA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001047415001 764274116 /nfs/dbraw/zinc/27/41/16/764274116.db2.gz AVZAXIPEIDFGRQ-XSLAGTTESA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@@H]2CCCCO2)C[C@@H]1O ZINC001047415001 764274120 /nfs/dbraw/zinc/27/41/20/764274120.db2.gz AVZAXIPEIDFGRQ-XSLAGTTESA-N 2 2 349.475 0.157 20 30 ECEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001017617879 768201190 /nfs/dbraw/zinc/20/11/90/768201190.db2.gz VAOYXQLKFNZUCL-BBWFWOEESA-N 2 2 329.448 0.512 20 30 ECEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001017617879 768201195 /nfs/dbraw/zinc/20/11/95/768201195.db2.gz VAOYXQLKFNZUCL-BBWFWOEESA-N 2 2 329.448 0.512 20 30 ECEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001047501154 764525513 /nfs/dbraw/zinc/52/55/13/764525513.db2.gz NHCCFSAOBUGACX-SQNIBIBYSA-N 2 2 333.476 0.920 20 30 ECEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001047501154 764525517 /nfs/dbraw/zinc/52/55/17/764525517.db2.gz NHCCFSAOBUGACX-SQNIBIBYSA-N 2 2 333.476 0.920 20 30 ECEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001047501154 764525522 /nfs/dbraw/zinc/52/55/22/764525522.db2.gz NHCCFSAOBUGACX-SQNIBIBYSA-N 2 2 333.476 0.920 20 30 ECEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001047501154 764525529 /nfs/dbraw/zinc/52/55/29/764525529.db2.gz NHCCFSAOBUGACX-SQNIBIBYSA-N 2 2 333.476 0.920 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)C1=O ZINC001089074256 764966138 /nfs/dbraw/zinc/96/61/38/764966138.db2.gz UTIUSNZOZPBXGY-ILXRZTDVSA-N 2 2 331.420 0.249 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)[C@H]2C)C1=O ZINC001089074256 764966145 /nfs/dbraw/zinc/96/61/45/764966145.db2.gz UTIUSNZOZPBXGY-ILXRZTDVSA-N 2 2 331.420 0.249 20 30 ECEDLP C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCO)CC1 ZINC001052987202 765464052 /nfs/dbraw/zinc/46/40/52/765464052.db2.gz GVHHDSNQRZMJGB-OIISXLGYSA-N 2 2 334.464 0.668 20 30 ECEDLP C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCO)CC1 ZINC001052987202 765464056 /nfs/dbraw/zinc/46/40/56/765464056.db2.gz GVHHDSNQRZMJGB-OIISXLGYSA-N 2 2 334.464 0.668 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCn2nc(C)cc2C)C1 ZINC001031740609 766985704 /nfs/dbraw/zinc/98/57/04/766985704.db2.gz GSRRXMMREHWFTJ-SFHVURJKSA-N 2 2 343.475 0.646 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCn2nc(C)cc2C)C1 ZINC001031740609 766985708 /nfs/dbraw/zinc/98/57/08/766985708.db2.gz GSRRXMMREHWFTJ-SFHVURJKSA-N 2 2 343.475 0.646 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2COC3(C[NH+]([C@H](C)COC)C3)C2)CC1 ZINC001054014473 767601080 /nfs/dbraw/zinc/60/10/80/767601080.db2.gz BJHJYHMFUOPUIZ-WBVHZDCISA-N 2 2 349.475 0.326 20 30 ECEDLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055607030 769244205 /nfs/dbraw/zinc/24/42/05/769244205.db2.gz QWGCOCGDPGCQCC-LBPRGKRZSA-N 2 2 346.435 0.117 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2csnn2)C1 ZINC001020250700 772351038 /nfs/dbraw/zinc/35/10/38/772351038.db2.gz LRWSXLWXXJQGDH-ABHRYQDASA-N 2 2 333.461 0.934 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1C ZINC001079878309 777012205 /nfs/dbraw/zinc/01/22/05/777012205.db2.gz QUNBCXIPTSMMSJ-OLMNPRSZSA-N 2 2 343.475 0.763 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1C ZINC001079878309 777012216 /nfs/dbraw/zinc/01/22/16/777012216.db2.gz QUNBCXIPTSMMSJ-OLMNPRSZSA-N 2 2 343.475 0.763 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1C ZINC001079878309 777012222 /nfs/dbraw/zinc/01/22/22/777012222.db2.gz QUNBCXIPTSMMSJ-OLMNPRSZSA-N 2 2 343.475 0.763 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1C ZINC001079878309 777012229 /nfs/dbraw/zinc/01/22/29/777012229.db2.gz QUNBCXIPTSMMSJ-OLMNPRSZSA-N 2 2 343.475 0.763 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079268071 780944311 /nfs/dbraw/zinc/94/43/11/780944311.db2.gz LCWLATGENUOQSW-LSDHHAIUSA-N 2 2 328.416 0.525 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1n1ccnn1 ZINC001070224092 783692839 /nfs/dbraw/zinc/69/28/39/783692839.db2.gz MCOPGJMAGZTADK-CABCVRRESA-N 2 2 345.407 0.169 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CC#C)C1 ZINC001070412843 784006487 /nfs/dbraw/zinc/00/64/87/784006487.db2.gz LSBYNWJZPOFCMS-RDJZCZTQSA-N 2 2 339.443 0.546 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CC#C)C1 ZINC001070412843 784006492 /nfs/dbraw/zinc/00/64/92/784006492.db2.gz LSBYNWJZPOFCMS-RDJZCZTQSA-N 2 2 339.443 0.546 20 30 ECEDLP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001070412843 784006499 /nfs/dbraw/zinc/00/64/99/784006499.db2.gz LSBYNWJZPOFCMS-RDJZCZTQSA-N 2 2 339.443 0.546 20 30 ECEDLP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001070412843 784006509 /nfs/dbraw/zinc/00/65/09/784006509.db2.gz LSBYNWJZPOFCMS-RDJZCZTQSA-N 2 2 339.443 0.546 20 30 ECEDLP C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442245 784084475 /nfs/dbraw/zinc/08/44/75/784084475.db2.gz FTGNDGVHERXGSG-CABCVRRESA-N 2 2 344.463 0.621 20 30 ECEDLP C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442245 784084479 /nfs/dbraw/zinc/08/44/79/784084479.db2.gz FTGNDGVHERXGSG-CABCVRRESA-N 2 2 344.463 0.621 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1NCC#N ZINC001070668145 784526155 /nfs/dbraw/zinc/52/61/55/784526155.db2.gz FOBSBVJYEUZOLA-HZPDHXFCSA-N 2 2 349.398 0.789 20 30 ECEDLP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001071234150 784798700 /nfs/dbraw/zinc/79/87/00/784798700.db2.gz UMQMDXQCCIRHJE-KSSFIOAISA-N 2 2 330.432 0.976 20 30 ECEDLP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001071234150 784798709 /nfs/dbraw/zinc/79/87/09/784798709.db2.gz UMQMDXQCCIRHJE-KSSFIOAISA-N 2 2 330.432 0.976 20 30 ECEDLP C#CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C(=O)C1 ZINC001071277370 784923954 /nfs/dbraw/zinc/92/39/54/784923954.db2.gz SDZLAIJBTXMHES-IAGOWNOFSA-N 2 2 346.475 0.097 20 30 ECEDLP C#CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277370 784923955 /nfs/dbraw/zinc/92/39/55/784923955.db2.gz SDZLAIJBTXMHES-IAGOWNOFSA-N 2 2 346.475 0.097 20 30 ECEDLP C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277370 784923959 /nfs/dbraw/zinc/92/39/59/784923959.db2.gz SDZLAIJBTXMHES-IAGOWNOFSA-N 2 2 346.475 0.097 20 30 ECEDLP C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277370 784923962 /nfs/dbraw/zinc/92/39/62/784923962.db2.gz SDZLAIJBTXMHES-IAGOWNOFSA-N 2 2 346.475 0.097 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741271 787097859 /nfs/dbraw/zinc/09/78/59/787097859.db2.gz QVZQSUXFDYWMBR-SJORKVTESA-N 2 2 337.464 0.326 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001073741271 787097867 /nfs/dbraw/zinc/09/78/67/787097867.db2.gz QVZQSUXFDYWMBR-SJORKVTESA-N 2 2 337.464 0.326 20 30 ECEDLP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073741271 787097879 /nfs/dbraw/zinc/09/78/79/787097879.db2.gz QVZQSUXFDYWMBR-SJORKVTESA-N 2 2 337.464 0.326 20 30 ECEDLP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073741271 787097887 /nfs/dbraw/zinc/09/78/87/787097887.db2.gz QVZQSUXFDYWMBR-SJORKVTESA-N 2 2 337.464 0.326 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069941825 790217363 /nfs/dbraw/zinc/21/73/63/790217363.db2.gz ALQQUBFVZFRNDT-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069941825 790217364 /nfs/dbraw/zinc/21/73/64/790217364.db2.gz ALQQUBFVZFRNDT-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069941825 790217365 /nfs/dbraw/zinc/21/73/65/790217365.db2.gz ALQQUBFVZFRNDT-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069941825 790217366 /nfs/dbraw/zinc/21/73/66/790217366.db2.gz ALQQUBFVZFRNDT-IKGGRYGDSA-N 2 2 344.463 0.517 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267455407 837440609 /nfs/dbraw/zinc/44/06/09/837440609.db2.gz ZGGKWCXXXFAKQO-HOTGVXAUSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267455407 837440615 /nfs/dbraw/zinc/44/06/15/837440615.db2.gz ZGGKWCXXXFAKQO-HOTGVXAUSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267455407 837440620 /nfs/dbraw/zinc/44/06/20/837440620.db2.gz ZGGKWCXXXFAKQO-HOTGVXAUSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266308595 835674579 /nfs/dbraw/zinc/67/45/79/835674579.db2.gz YLXFBRTYFISKRD-CVEARBPZSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266308595 835674581 /nfs/dbraw/zinc/67/45/81/835674581.db2.gz YLXFBRTYFISKRD-CVEARBPZSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001266308595 835674585 /nfs/dbraw/zinc/67/45/85/835674585.db2.gz YLXFBRTYFISKRD-CVEARBPZSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001266308595 835674588 /nfs/dbraw/zinc/67/45/88/835674588.db2.gz YLXFBRTYFISKRD-CVEARBPZSA-N 2 2 334.464 0.472 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266662124 836100109 /nfs/dbraw/zinc/10/01/09/836100109.db2.gz CDSPALVVNCRPPG-DLBZAZTESA-N 2 2 330.432 0.846 20 30 ECEDLP COCC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266662124 836100114 /nfs/dbraw/zinc/10/01/14/836100114.db2.gz CDSPALVVNCRPPG-DLBZAZTESA-N 2 2 330.432 0.846 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nnc(C)n1C1CC1 ZINC001266728934 836207656 /nfs/dbraw/zinc/20/76/56/836207656.db2.gz QAVMJEJISHRJJU-INIZCTEOSA-N 2 2 344.463 0.567 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nnc(C)n1C1CC1 ZINC001266728934 836207664 /nfs/dbraw/zinc/20/76/64/836207664.db2.gz QAVMJEJISHRJJU-INIZCTEOSA-N 2 2 344.463 0.567 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001266916992 836475542 /nfs/dbraw/zinc/47/55/42/836475542.db2.gz MSSYURTXGPDXCF-NFOMZHRRSA-N 2 2 331.420 0.038 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267048622 836677257 /nfs/dbraw/zinc/67/72/57/836677257.db2.gz YSEQKBVZIJYGOV-LSDHHAIUSA-N 2 2 345.447 0.186 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC(=O)N[C@@H](C)C2CC2)CC1 ZINC001267232826 837037367 /nfs/dbraw/zinc/03/73/67/837037367.db2.gz MTVBTRXEAMXYGB-HNNXBMFYSA-N 2 2 348.491 0.294 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC(=O)N[C@@H](C)C2CC2)CC1 ZINC001267232826 837037379 /nfs/dbraw/zinc/03/73/79/837037379.db2.gz MTVBTRXEAMXYGB-HNNXBMFYSA-N 2 2 348.491 0.294 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268070794 839265933 /nfs/dbraw/zinc/26/59/33/839265933.db2.gz KUMRWHBHODESRY-CQSZACIVSA-N 2 2 333.436 0.113 20 30 ECEDLP CC(C)([NH3+])CNC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420078498 209300051 /nfs/dbraw/zinc/30/00/51/209300051.db2.gz PEAKLBNOPVWJHW-UHFFFAOYSA-N 2 2 343.431 0.056 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C(N)=O)[C@H](C)c2ccccc2)CC1 ZINC000491556949 254920261 /nfs/dbraw/zinc/92/02/61/254920261.db2.gz ZVNYZHXIUJSJAO-QAPCUYQASA-N 2 2 342.443 0.011 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000528560011 270008098 /nfs/dbraw/zinc/00/80/98/270008098.db2.gz FUROZHSQFHNCEV-ROUUACIJSA-N 2 2 345.443 0.829 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000528560011 270008099 /nfs/dbraw/zinc/00/80/99/270008099.db2.gz FUROZHSQFHNCEV-ROUUACIJSA-N 2 2 345.443 0.829 20 30 ECEDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528350172 267279225 /nfs/dbraw/zinc/27/92/25/267279225.db2.gz LFWLFLHMJMEQJX-MRXNPFEDSA-N 2 2 346.431 0.004 20 30 ECEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091589462 436454459 /nfs/dbraw/zinc/45/44/59/436454459.db2.gz ZWCWXKHBQNYXGF-ROUUACIJSA-N 2 2 349.523 0.952 20 30 ECEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091589462 436454461 /nfs/dbraw/zinc/45/44/61/436454461.db2.gz ZWCWXKHBQNYXGF-ROUUACIJSA-N 2 2 349.523 0.952 20 30 ECEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091589462 436454463 /nfs/dbraw/zinc/45/44/63/436454463.db2.gz ZWCWXKHBQNYXGF-ROUUACIJSA-N 2 2 349.523 0.952 20 30 ECEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091589462 436454466 /nfs/dbraw/zinc/45/44/66/436454466.db2.gz ZWCWXKHBQNYXGF-ROUUACIJSA-N 2 2 349.523 0.952 20 30 ECEDLP CC(C)(CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[NH+]1CCOCC1 ZINC000264104446 437017165 /nfs/dbraw/zinc/01/71/65/437017165.db2.gz NKLVUVSFJPKQLJ-UHFFFAOYSA-N 2 2 347.467 0.024 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000305071160 437159607 /nfs/dbraw/zinc/15/96/07/437159607.db2.gz TVBQGVFZDMMEQC-IRXDYDNUSA-N 2 2 345.443 0.945 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000305071160 437159610 /nfs/dbraw/zinc/15/96/10/437159610.db2.gz TVBQGVFZDMMEQC-IRXDYDNUSA-N 2 2 345.443 0.945 20 30 ECEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379235 437181493 /nfs/dbraw/zinc/18/14/93/437181493.db2.gz ZTJZKRPKPJVMBB-SFHVURJKSA-N 2 2 337.512 0.999 20 30 ECEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177379235 437181498 /nfs/dbraw/zinc/18/14/98/437181498.db2.gz ZTJZKRPKPJVMBB-SFHVURJKSA-N 2 2 337.512 0.999 20 30 ECEDLP CC(C)[C@](C)(C#N)NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177379235 437181502 /nfs/dbraw/zinc/18/15/02/437181502.db2.gz ZTJZKRPKPJVMBB-SFHVURJKSA-N 2 2 337.512 0.999 20 30 ECEDLP CC(C)[C@](C)(C#N)NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177379235 437181507 /nfs/dbraw/zinc/18/15/07/437181507.db2.gz ZTJZKRPKPJVMBB-SFHVURJKSA-N 2 2 337.512 0.999 20 30 ECEDLP C=CCNC(=O)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000181241716 437314102 /nfs/dbraw/zinc/31/41/02/437314102.db2.gz ZSBBVESIJJVLHO-XYPWUTKMSA-N 2 2 349.479 0.241 20 30 ECEDLP C=CCNC(=O)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000181241716 437314107 /nfs/dbraw/zinc/31/41/07/437314107.db2.gz ZSBBVESIJJVLHO-XYPWUTKMSA-N 2 2 349.479 0.241 20 30 ECEDLP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000328858631 437272855 /nfs/dbraw/zinc/27/28/55/437272855.db2.gz DQSRNEJPMNRZME-KKUMJFAQSA-N 2 2 326.441 0.026 20 30 ECEDLP COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]3OCC[NH+](C)[C@H]3C2)C1 ZINC000328858631 437272859 /nfs/dbraw/zinc/27/28/59/437272859.db2.gz DQSRNEJPMNRZME-KKUMJFAQSA-N 2 2 326.441 0.026 20 30 ECEDLP COCC[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000328858631 437272863 /nfs/dbraw/zinc/27/28/63/437272863.db2.gz DQSRNEJPMNRZME-KKUMJFAQSA-N 2 2 326.441 0.026 20 30 ECEDLP COCC[NH+]1CC[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000328858631 437272867 /nfs/dbraw/zinc/27/28/67/437272867.db2.gz DQSRNEJPMNRZME-KKUMJFAQSA-N 2 2 326.441 0.026 20 30 ECEDLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000328924103 437286363 /nfs/dbraw/zinc/28/63/63/437286363.db2.gz DIIKZUWORMXBCO-HIFRSBDPSA-N 2 2 337.468 0.977 20 30 ECEDLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000328924103 437286365 /nfs/dbraw/zinc/28/63/65/437286365.db2.gz DIIKZUWORMXBCO-HIFRSBDPSA-N 2 2 337.468 0.977 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000184942063 437418384 /nfs/dbraw/zinc/41/83/84/437418384.db2.gz RMHIGFOQXSRXQG-UHFFFAOYSA-N 2 2 327.432 0.779 20 30 ECEDLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NC(=O)NC1CC1 ZINC000329391463 304820131 /nfs/dbraw/zinc/82/01/31/304820131.db2.gz SUVJVWGIYSODAP-UHFFFAOYSA-N 2 2 340.424 0.178 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000360973021 437652264 /nfs/dbraw/zinc/65/22/64/437652264.db2.gz RGILJFGCOPTTPU-DLBZAZTESA-N 2 2 335.496 0.706 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000360973021 437652269 /nfs/dbraw/zinc/65/22/69/437652269.db2.gz RGILJFGCOPTTPU-DLBZAZTESA-N 2 2 335.496 0.706 20 30 ECEDLP C[NH+](CC#CC[N@@H+](C)C[C@H](O)C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000341908110 437924404 /nfs/dbraw/zinc/92/44/04/437924404.db2.gz LVPAYZZHBNSIRW-AOOOYVTPSA-N 2 2 336.276 0.700 20 30 ECEDLP C[NH+](CC#CC[N@H+](C)C[C@H](O)C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000341908110 437924407 /nfs/dbraw/zinc/92/44/07/437924407.db2.gz LVPAYZZHBNSIRW-AOOOYVTPSA-N 2 2 336.276 0.700 20 30 ECEDLP C[NH+](CC#CC[N@H+](C)C[C@@H](O)C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000341908110 437924409 /nfs/dbraw/zinc/92/44/09/437924409.db2.gz LVPAYZZHBNSIRW-AOOOYVTPSA-N 2 2 336.276 0.700 20 30 ECEDLP C[NH+](CC#CC[N@@H+](C)C[C@@H](O)C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000341908110 437924414 /nfs/dbraw/zinc/92/44/14/437924414.db2.gz LVPAYZZHBNSIRW-AOOOYVTPSA-N 2 2 336.276 0.700 20 30 ECEDLP N#CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000424144547 437893676 /nfs/dbraw/zinc/89/36/76/437893676.db2.gz LQETUFLGLBMAOQ-HNNXBMFYSA-N 2 2 335.452 0.068 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497217113 438780594 /nfs/dbraw/zinc/78/05/94/438780594.db2.gz AKYJYRANPRKZRW-CQSZACIVSA-N 2 2 340.468 0.772 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497217113 438780596 /nfs/dbraw/zinc/78/05/96/438780596.db2.gz AKYJYRANPRKZRW-CQSZACIVSA-N 2 2 340.468 0.772 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906763 438885122 /nfs/dbraw/zinc/88/51/22/438885122.db2.gz NIVUZZQWYNPEMS-KBPBESRZSA-N 2 2 326.441 0.429 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906763 438885125 /nfs/dbraw/zinc/88/51/25/438885125.db2.gz NIVUZZQWYNPEMS-KBPBESRZSA-N 2 2 326.441 0.429 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)CC1 ZINC000490935935 439315764 /nfs/dbraw/zinc/31/57/64/439315764.db2.gz OYQHWQXZRWBPDN-UHFFFAOYSA-N 2 2 349.866 0.951 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000490672287 439285431 /nfs/dbraw/zinc/28/54/31/439285431.db2.gz YKGHGYAXFYSNEB-UHFFFAOYSA-N 3 2 334.508 0.816 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000490672287 439285434 /nfs/dbraw/zinc/28/54/34/439285434.db2.gz YKGHGYAXFYSNEB-UHFFFAOYSA-N 3 2 334.508 0.816 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC000490695184 439287106 /nfs/dbraw/zinc/28/71/06/439287106.db2.gz CBFMLCWUPQPGGC-MRXNPFEDSA-N 2 2 336.480 0.391 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC000490695184 439287108 /nfs/dbraw/zinc/28/71/08/439287108.db2.gz CBFMLCWUPQPGGC-MRXNPFEDSA-N 2 2 336.480 0.391 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC3(CC2)[C@H](OCC)C[C@@H]3O)CC1 ZINC000490865794 439305144 /nfs/dbraw/zinc/30/51/44/439305144.db2.gz HOYNQZHUOHTFTL-DLBZAZTESA-N 2 2 349.475 0.016 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000491712566 439432370 /nfs/dbraw/zinc/43/23/70/439432370.db2.gz XJUPBBSJIBPTDA-QGZVFWFLSA-N 2 2 336.480 0.838 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000491712566 439432374 /nfs/dbraw/zinc/43/23/74/439432374.db2.gz XJUPBBSJIBPTDA-QGZVFWFLSA-N 2 2 336.480 0.838 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000491747542 439442106 /nfs/dbraw/zinc/44/21/06/439442106.db2.gz RTNUDDHTAQEVER-UHFFFAOYSA-N 2 2 344.415 0.847 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000491747542 439442108 /nfs/dbraw/zinc/44/21/08/439442108.db2.gz RTNUDDHTAQEVER-UHFFFAOYSA-N 2 2 344.415 0.847 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)nc1 ZINC000563011214 322292706 /nfs/dbraw/zinc/29/27/06/322292706.db2.gz MGNLFXZGQOMTHD-LBPRGKRZSA-N 2 2 331.401 0.597 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)nc1 ZINC000563011214 322292707 /nfs/dbraw/zinc/29/27/07/322292707.db2.gz MGNLFXZGQOMTHD-LBPRGKRZSA-N 2 2 331.401 0.597 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)nc1 ZINC000563011212 322292912 /nfs/dbraw/zinc/29/29/12/322292912.db2.gz MGNLFXZGQOMTHD-GFCCVEGCSA-N 2 2 331.401 0.597 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)nc1 ZINC000563011212 322292914 /nfs/dbraw/zinc/29/29/14/322292914.db2.gz MGNLFXZGQOMTHD-GFCCVEGCSA-N 2 2 331.401 0.597 20 30 ECEDLP O=C(N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012929 782136994 /nfs/dbraw/zinc/13/69/94/782136994.db2.gz JBVURRCMXZDTAS-QZTJIDSGSA-N 2 2 339.439 0.295 20 30 ECEDLP O=C(N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012929 782137001 /nfs/dbraw/zinc/13/70/01/782137001.db2.gz JBVURRCMXZDTAS-QZTJIDSGSA-N 2 2 339.439 0.295 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)CC1 ZINC000748817334 579329393 /nfs/dbraw/zinc/32/93/93/579329393.db2.gz MNWQSMYARNIAKE-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)CC1 ZINC000748817334 579329394 /nfs/dbraw/zinc/32/93/94/579329394.db2.gz MNWQSMYARNIAKE-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000730097270 578303281 /nfs/dbraw/zinc/30/32/81/578303281.db2.gz LTOTUOSOIVQSFW-INIZCTEOSA-N 2 2 328.416 0.632 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000730097270 578303282 /nfs/dbraw/zinc/30/32/82/578303282.db2.gz LTOTUOSOIVQSFW-INIZCTEOSA-N 2 2 328.416 0.632 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000730105792 578303428 /nfs/dbraw/zinc/30/34/28/578303428.db2.gz PSEBZZCHDXPPTD-KRWDZBQOSA-N 2 2 341.459 0.547 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000730105792 578303429 /nfs/dbraw/zinc/30/34/29/578303429.db2.gz PSEBZZCHDXPPTD-KRWDZBQOSA-N 2 2 341.459 0.547 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000730281767 578304478 /nfs/dbraw/zinc/30/44/78/578304478.db2.gz VNCVZBHFLIEYRX-SFHVURJKSA-N 3 2 332.492 0.759 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000730281767 578304479 /nfs/dbraw/zinc/30/44/79/578304479.db2.gz VNCVZBHFLIEYRX-SFHVURJKSA-N 3 2 332.492 0.759 20 30 ECEDLP C#CCNC(=O)CONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000779648146 579319114 /nfs/dbraw/zinc/31/91/14/579319114.db2.gz LAAWRELJHROMLB-OAHLLOKOSA-N 2 2 330.388 0.135 20 30 ECEDLP C#CCNC(=O)CONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000779648146 579319115 /nfs/dbraw/zinc/31/91/15/579319115.db2.gz LAAWRELJHROMLB-OAHLLOKOSA-N 2 2 330.388 0.135 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000905447694 586892541 /nfs/dbraw/zinc/89/25/41/586892541.db2.gz SWOMMCRTYVPVTO-DLBZAZTESA-N 2 2 336.480 0.427 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000852698713 589507000 /nfs/dbraw/zinc/50/70/00/589507000.db2.gz NWLXZGMEBVXFCA-INIZCTEOSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000852698713 589507002 /nfs/dbraw/zinc/50/70/02/589507002.db2.gz NWLXZGMEBVXFCA-INIZCTEOSA-N 2 2 334.464 0.000 20 30 ECEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865040549 590121269 /nfs/dbraw/zinc/12/12/69/590121269.db2.gz SDCVDERYZLPZDP-MRXNPFEDSA-N 2 2 327.388 0.905 20 30 ECEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879597198 590326883 /nfs/dbraw/zinc/32/68/83/590326883.db2.gz YNBKSBNWIXAJMS-HNNXBMFYSA-N 2 2 333.480 0.649 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@@H](CO)c2ccccc2)CC1 ZINC000880461625 590394446 /nfs/dbraw/zinc/39/44/46/590394446.db2.gz LDKXPPVODPTZJK-SFHVURJKSA-N 2 2 329.444 0.819 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@@H](CO)c2ccccc2)CC1 ZINC000880461625 590394450 /nfs/dbraw/zinc/39/44/50/590394450.db2.gz LDKXPPVODPTZJK-SFHVURJKSA-N 2 2 329.444 0.819 20 30 ECEDLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876723774 590404101 /nfs/dbraw/zinc/40/41/01/590404101.db2.gz HDGGIAXPQFJQDM-GUYCJALGSA-N 2 2 328.416 0.582 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876960526 590429450 /nfs/dbraw/zinc/42/94/50/590429450.db2.gz FJGMLAHKENBQFO-GOSISDBHSA-N 3 2 343.475 0.745 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876960526 590429453 /nfs/dbraw/zinc/42/94/53/590429453.db2.gz FJGMLAHKENBQFO-GOSISDBHSA-N 3 2 343.475 0.745 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000884212769 590776611 /nfs/dbraw/zinc/77/66/11/590776611.db2.gz MCQIMEVZNOBXIR-AWEZNQCLSA-N 2 2 339.436 0.194 20 30 ECEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886043334 590788678 /nfs/dbraw/zinc/78/86/78/590788678.db2.gz AFGARMRKSCZJFM-JKSUJKDBSA-N 2 2 334.464 0.670 20 30 ECEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886043334 590788681 /nfs/dbraw/zinc/78/86/81/590788681.db2.gz AFGARMRKSCZJFM-JKSUJKDBSA-N 2 2 334.464 0.670 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000884278072 590794385 /nfs/dbraw/zinc/79/43/85/590794385.db2.gz BSMARFBLKAVIGT-GJZGRUSLSA-N 2 2 335.379 0.745 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884312976 590802643 /nfs/dbraw/zinc/80/26/43/590802643.db2.gz SMPOMJQTMSJPNS-MJBXVCDLSA-N 2 2 327.425 0.001 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884312976 590802645 /nfs/dbraw/zinc/80/26/45/590802645.db2.gz SMPOMJQTMSJPNS-MJBXVCDLSA-N 2 2 327.425 0.001 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000919875117 609664859 /nfs/dbraw/zinc/66/48/59/609664859.db2.gz OUWHODDWZRTHHS-CVEARBPZSA-N 2 2 325.478 0.489 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC000919875117 609664860 /nfs/dbraw/zinc/66/48/60/609664860.db2.gz OUWHODDWZRTHHS-CVEARBPZSA-N 2 2 325.478 0.489 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000919875117 609664863 /nfs/dbraw/zinc/66/48/63/609664863.db2.gz OUWHODDWZRTHHS-CVEARBPZSA-N 2 2 325.478 0.489 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000920450917 609682623 /nfs/dbraw/zinc/68/26/23/609682623.db2.gz MBEJFFBDBYIMES-INIZCTEOSA-N 2 2 335.496 0.267 20 30 ECEDLP C#CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000917006860 609957431 /nfs/dbraw/zinc/95/74/31/609957431.db2.gz HTDZASDHLBTCDT-JKSUJKDBSA-N 2 2 336.480 0.835 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000941676927 610449342 /nfs/dbraw/zinc/44/93/42/610449342.db2.gz IDUPRISHLDTBNC-UHFFFAOYSA-N 2 2 332.492 0.714 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408485 610722389 /nfs/dbraw/zinc/72/23/89/610722389.db2.gz IHDUBXPILLEVRZ-GOSISDBHSA-N 2 2 330.476 0.180 20 30 ECEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946900038 611241719 /nfs/dbraw/zinc/24/17/19/611241719.db2.gz VIDAXSZNNWRYOG-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946900038 611241720 /nfs/dbraw/zinc/24/17/20/611241720.db2.gz VIDAXSZNNWRYOG-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370414 611954656 /nfs/dbraw/zinc/95/46/56/611954656.db2.gz RFHCMXZMMOKECI-IAGOWNOFSA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370414 611954657 /nfs/dbraw/zinc/95/46/57/611954657.db2.gz RFHCMXZMMOKECI-IAGOWNOFSA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370414 611954658 /nfs/dbraw/zinc/95/46/58/611954658.db2.gz RFHCMXZMMOKECI-IAGOWNOFSA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC2)C1 ZINC000949370414 611954659 /nfs/dbraw/zinc/95/46/59/611954659.db2.gz RFHCMXZMMOKECI-IAGOWNOFSA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001024987333 738461762 /nfs/dbraw/zinc/46/17/62/738461762.db2.gz IPTTYHQORRSBGA-HOTGVXAUSA-N 2 2 344.463 0.681 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C)[nH]1 ZINC001024987333 738461767 /nfs/dbraw/zinc/46/17/67/738461767.db2.gz IPTTYHQORRSBGA-HOTGVXAUSA-N 2 2 344.463 0.681 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H](C)c3nnc(C)o3)C2)CC1 ZINC000970791836 733942688 /nfs/dbraw/zinc/94/26/88/733942688.db2.gz ABDRFMUQVYGXAU-XJKSGUPXSA-N 2 2 345.447 0.975 20 30 ECEDLP C#CCC[N@@H+](CCO)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001098582067 737336887 /nfs/dbraw/zinc/33/68/87/737336887.db2.gz KKYKZOGGUUIIFU-UHFFFAOYSA-N 2 2 332.448 0.972 20 30 ECEDLP C#CCC[N@H+](CCO)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001098582067 737336889 /nfs/dbraw/zinc/33/68/89/737336889.db2.gz KKYKZOGGUUIIFU-UHFFFAOYSA-N 2 2 332.448 0.972 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001027141058 742729173 /nfs/dbraw/zinc/72/91/73/742729173.db2.gz UMFPIYHUXCVJHU-KGLIPLIRSA-N 2 2 331.420 0.177 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001027245303 743278196 /nfs/dbraw/zinc/27/81/96/743278196.db2.gz QUJITWJVVXYUIU-LSDHHAIUSA-N 2 2 331.420 0.108 20 30 ECEDLP C#CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C(F)(F)F ZINC000998302913 744108835 /nfs/dbraw/zinc/10/88/35/744108835.db2.gz KKAGZYNHFQYMRH-KGLIPLIRSA-N 2 2 347.381 0.711 20 30 ECEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000999770281 744894078 /nfs/dbraw/zinc/89/40/78/744894078.db2.gz IYRVDLQADMIOKY-ZACQAIPSSA-N 2 2 337.464 0.633 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001027595251 746030221 /nfs/dbraw/zinc/03/02/21/746030221.db2.gz WZEWPWZYPXKRKL-JKSUJKDBSA-N 2 2 345.447 0.662 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001027595251 746030228 /nfs/dbraw/zinc/03/02/28/746030228.db2.gz WZEWPWZYPXKRKL-JKSUJKDBSA-N 2 2 345.447 0.662 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N2CCC2)[C@@H]1CC ZINC001087607346 746115653 /nfs/dbraw/zinc/11/56/53/746115653.db2.gz YOEVIAZCPZVGGY-BBWFWOEESA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCC2)[C@@H]1CC ZINC001087607346 746115656 /nfs/dbraw/zinc/11/56/56/746115656.db2.gz YOEVIAZCPZVGGY-BBWFWOEESA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCC2)[C@@H]1CC ZINC001087607346 746115658 /nfs/dbraw/zinc/11/56/58/746115658.db2.gz YOEVIAZCPZVGGY-BBWFWOEESA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N2CCC2)[C@@H]1CC ZINC001087607346 746115663 /nfs/dbraw/zinc/11/56/63/746115663.db2.gz YOEVIAZCPZVGGY-BBWFWOEESA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001088238295 747858060 /nfs/dbraw/zinc/85/80/60/747858060.db2.gz QOIBGBYJZDRWCK-KRWDZBQOSA-N 2 2 330.432 0.915 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001088238295 747858064 /nfs/dbraw/zinc/85/80/64/747858064.db2.gz QOIBGBYJZDRWCK-KRWDZBQOSA-N 2 2 330.432 0.915 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC001003055393 748123297 /nfs/dbraw/zinc/12/32/97/748123297.db2.gz GWYRVNQNRVMRLG-SFHVURJKSA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC001003055393 748123303 /nfs/dbraw/zinc/12/33/03/748123303.db2.gz GWYRVNQNRVMRLG-SFHVURJKSA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnns2)C1 ZINC001029758162 748271266 /nfs/dbraw/zinc/27/12/66/748271266.db2.gz SRRYKAUFMNFFEV-HOCLYGCPSA-N 2 2 347.488 0.916 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cnns2)C1 ZINC001029758162 748271271 /nfs/dbraw/zinc/27/12/71/748271271.db2.gz SRRYKAUFMNFFEV-HOCLYGCPSA-N 2 2 347.488 0.916 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cnns2)C1 ZINC001029758162 748271275 /nfs/dbraw/zinc/27/12/75/748271275.db2.gz SRRYKAUFMNFFEV-HOCLYGCPSA-N 2 2 347.488 0.916 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000985832746 749201286 /nfs/dbraw/zinc/20/12/86/749201286.db2.gz OGNAQGNBQMSGHU-INIZCTEOSA-N 2 2 349.479 0.006 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000985832746 749201292 /nfs/dbraw/zinc/20/12/92/749201292.db2.gz OGNAQGNBQMSGHU-INIZCTEOSA-N 2 2 349.479 0.006 20 30 ECEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262791167 749774025 /nfs/dbraw/zinc/77/40/25/749774025.db2.gz NZLUICPEIPZSJF-MRXNPFEDSA-N 3 2 337.537 0.947 20 30 ECEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001112208836 750143765 /nfs/dbraw/zinc/14/37/65/750143765.db2.gz GBUGHDDNYNWLFQ-MGPQQGTHSA-N 2 2 347.381 0.709 20 30 ECEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001112208836 750143769 /nfs/dbraw/zinc/14/37/69/750143769.db2.gz GBUGHDDNYNWLFQ-MGPQQGTHSA-N 2 2 347.381 0.709 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnnn2CC)C1 ZINC001028601476 753881472 /nfs/dbraw/zinc/88/14/72/753881472.db2.gz PKTYSNPKWPITNK-WBVHZDCISA-N 2 2 344.463 0.334 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnnn2CC)C1 ZINC001028601476 753881480 /nfs/dbraw/zinc/88/14/80/753881480.db2.gz PKTYSNPKWPITNK-WBVHZDCISA-N 2 2 344.463 0.334 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cnnn2CC)C1 ZINC001028601476 753881491 /nfs/dbraw/zinc/88/14/91/753881491.db2.gz PKTYSNPKWPITNK-WBVHZDCISA-N 2 2 344.463 0.334 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cnnn2CC)C1 ZINC001028601476 753881505 /nfs/dbraw/zinc/88/15/05/753881505.db2.gz PKTYSNPKWPITNK-WBVHZDCISA-N 2 2 344.463 0.334 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nncs3)C[C@H]2C)CC1 ZINC000989829557 754483613 /nfs/dbraw/zinc/48/36/13/754483613.db2.gz TUNUJLVQPXQFKN-UKRRQHHQSA-N 2 2 347.488 0.962 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC2(C)C)C1=O ZINC000996355917 757458772 /nfs/dbraw/zinc/45/87/72/757458772.db2.gz ORTPKDVCCQVESE-GJZGRUSLSA-N 2 2 345.447 0.566 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)CC[N@@H+]1C ZINC001077023624 757996584 /nfs/dbraw/zinc/99/65/84/757996584.db2.gz KUNJCPBPEPBWCR-NXWXRZEISA-N 2 2 341.455 0.540 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)CC[N@H+]1C ZINC001077023624 757996590 /nfs/dbraw/zinc/99/65/90/757996590.db2.gz KUNJCPBPEPBWCR-NXWXRZEISA-N 2 2 341.455 0.540 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)CC[NH+]1C ZINC001077023624 757996596 /nfs/dbraw/zinc/99/65/96/757996596.db2.gz KUNJCPBPEPBWCR-NXWXRZEISA-N 2 2 341.455 0.540 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)CC[NH+]1C ZINC001077023624 757996603 /nfs/dbraw/zinc/99/66/03/757996603.db2.gz KUNJCPBPEPBWCR-NXWXRZEISA-N 2 2 341.455 0.540 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)[nH]2)CC1 ZINC000996685877 758470743 /nfs/dbraw/zinc/47/07/43/758470743.db2.gz RFYCDGIVIBHYLZ-CJNGLKHVSA-N 2 2 344.463 0.852 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)[nH]2)CC1 ZINC000996685877 758470744 /nfs/dbraw/zinc/47/07/44/758470744.db2.gz RFYCDGIVIBHYLZ-CJNGLKHVSA-N 2 2 344.463 0.852 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)C1=O ZINC000996718327 758603890 /nfs/dbraw/zinc/60/38/90/758603890.db2.gz XRGAHYDTYWHQCT-HUUCEWRRSA-N 2 2 345.447 0.497 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)CC1 ZINC001047638339 759374099 /nfs/dbraw/zinc/37/40/99/759374099.db2.gz NMOVYRFGMXYWCP-GTEGOMCXSA-N 2 2 339.867 0.588 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)CC1 ZINC001047638339 759374107 /nfs/dbraw/zinc/37/41/07/759374107.db2.gz NMOVYRFGMXYWCP-GTEGOMCXSA-N 2 2 339.867 0.588 20 30 ECEDLP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)cc2C1 ZINC001054260348 767878011 /nfs/dbraw/zinc/87/80/11/767878011.db2.gz LASYUIVRUNUZDU-SFHVURJKSA-N 2 2 327.428 0.972 20 30 ECEDLP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)cc2C1 ZINC001054260348 767878016 /nfs/dbraw/zinc/87/80/16/767878016.db2.gz LASYUIVRUNUZDU-SFHVURJKSA-N 2 2 327.428 0.972 20 30 ECEDLP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)CCO3)cc2C1 ZINC001054260348 767878026 /nfs/dbraw/zinc/87/80/26/767878026.db2.gz LASYUIVRUNUZDU-SFHVURJKSA-N 2 2 327.428 0.972 20 30 ECEDLP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](C)CCO3)cc2C1 ZINC001054260348 767878031 /nfs/dbraw/zinc/87/80/31/767878031.db2.gz LASYUIVRUNUZDU-SFHVURJKSA-N 2 2 327.428 0.972 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001050232516 760005161 /nfs/dbraw/zinc/00/51/61/760005161.db2.gz CLWDTZXYDGZUAX-HOCLYGCPSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001050232517 760005346 /nfs/dbraw/zinc/00/53/46/760005346.db2.gz CLWDTZXYDGZUAX-ZBFHGGJFSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127298807 767968329 /nfs/dbraw/zinc/96/83/29/767968329.db2.gz GUXBJRCRWZVKLA-ZDUSSCGKSA-N 2 2 327.388 0.100 20 30 ECEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001051082268 761456710 /nfs/dbraw/zinc/45/67/10/761456710.db2.gz XEHBAFKBAIHJOB-HOTGVXAUSA-N 2 2 325.453 0.489 20 30 ECEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082268 761456713 /nfs/dbraw/zinc/45/67/13/761456713.db2.gz XEHBAFKBAIHJOB-HOTGVXAUSA-N 2 2 325.453 0.489 20 30 ECEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001051082268 761456716 /nfs/dbraw/zinc/45/67/16/761456716.db2.gz XEHBAFKBAIHJOB-HOTGVXAUSA-N 2 2 325.453 0.489 20 30 ECEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001051082268 761456719 /nfs/dbraw/zinc/45/67/19/761456719.db2.gz XEHBAFKBAIHJOB-HOTGVXAUSA-N 2 2 325.453 0.489 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046994391 763531547 /nfs/dbraw/zinc/53/15/47/763531547.db2.gz FDUXBTYCHVJWCO-KGLIPLIRSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994391 763531551 /nfs/dbraw/zinc/53/15/51/763531551.db2.gz FDUXBTYCHVJWCO-KGLIPLIRSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046994391 763531555 /nfs/dbraw/zinc/53/15/55/763531555.db2.gz FDUXBTYCHVJWCO-KGLIPLIRSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046994391 763531557 /nfs/dbraw/zinc/53/15/57/763531557.db2.gz FDUXBTYCHVJWCO-KGLIPLIRSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001052093038 763834635 /nfs/dbraw/zinc/83/46/35/763834635.db2.gz IZWVPZMOSVYODA-IBGZPJMESA-N 2 2 346.519 0.960 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1=O ZINC000991901678 764524481 /nfs/dbraw/zinc/52/44/81/764524481.db2.gz QLALZGCCTWBNGA-HNNXBMFYSA-N 2 2 345.447 0.710 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)O2 ZINC001053700412 766619807 /nfs/dbraw/zinc/61/98/07/766619807.db2.gz UHCAPACFQUUKMS-CVEARBPZSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700412 766619811 /nfs/dbraw/zinc/61/98/11/766619811.db2.gz UHCAPACFQUUKMS-CVEARBPZSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053903903 767308956 /nfs/dbraw/zinc/30/89/56/767308956.db2.gz ALPBWLDJICSAPL-HZPDHXFCSA-N 2 2 337.464 0.631 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053903903 767308963 /nfs/dbraw/zinc/30/89/63/767308963.db2.gz ALPBWLDJICSAPL-HZPDHXFCSA-N 2 2 337.464 0.631 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)CO2 ZINC001053953020 767439269 /nfs/dbraw/zinc/43/92/69/767439269.db2.gz JNGUSHMPRAZJLB-MRXNPFEDSA-N 2 2 345.447 0.041 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)CO2 ZINC001053984629 767533389 /nfs/dbraw/zinc/53/33/89/767533389.db2.gz BKPRXIAMWHYVLF-CQSZACIVSA-N 2 2 328.416 0.744 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH+](C[C@H](C)OC)C3)C2)CC1 ZINC001054016151 767606588 /nfs/dbraw/zinc/60/65/88/767606588.db2.gz VVZNUIWMOJTPIN-DOTOQJQBSA-N 2 2 349.475 0.326 20 30 ECEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC001106721819 768719006 /nfs/dbraw/zinc/71/90/06/768719006.db2.gz MRDWNNSQBBOWQT-IAGOWNOFSA-N 2 2 333.476 0.949 20 30 ECEDLP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001055597689 769220923 /nfs/dbraw/zinc/22/09/23/769220923.db2.gz BGYQDJRDNHULQH-GOEBONIOSA-N 2 2 349.479 0.327 20 30 ECEDLP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001055597689 769220926 /nfs/dbraw/zinc/22/09/26/769220926.db2.gz BGYQDJRDNHULQH-GOEBONIOSA-N 2 2 349.479 0.327 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)CC1 ZINC001031434913 771069032 /nfs/dbraw/zinc/06/90/32/771069032.db2.gz JUMDKYYSSUMZPA-QGZVFWFLSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274520 780950366 /nfs/dbraw/zinc/95/03/66/780950366.db2.gz SKVICYFIBCRRAZ-JKSUJKDBSA-N 2 2 328.416 0.456 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001070220712 783686153 /nfs/dbraw/zinc/68/61/53/783686153.db2.gz OCLWXTDWBJACSR-BMFZPTHFSA-N 2 2 341.419 0.265 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001070272473 783774805 /nfs/dbraw/zinc/77/48/05/783774805.db2.gz NUIVYRSOVXCWBU-YUELXQCFSA-N 2 2 339.403 0.096 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001070310971 783816118 /nfs/dbraw/zinc/81/61/18/783816118.db2.gz GVQKDALQHJSGKD-CABCVRRESA-N 2 2 329.408 0.172 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001070319728 783826282 /nfs/dbraw/zinc/82/62/82/783826282.db2.gz CUGFBHJNROSTTM-CVEARBPZSA-N 2 2 343.435 0.562 20 30 ECEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001070964529 784247985 /nfs/dbraw/zinc/24/79/85/784247985.db2.gz NSNPFHMCCATBLV-INIZCTEOSA-N 2 2 334.464 0.165 20 30 ECEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001070964529 784247991 /nfs/dbraw/zinc/24/79/91/784247991.db2.gz NSNPFHMCCATBLV-INIZCTEOSA-N 2 2 334.464 0.165 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1NCC#N ZINC001070660692 784515845 /nfs/dbraw/zinc/51/58/45/784515845.db2.gz NNCDOFGWZVYGOI-KFWWJZLASA-N 2 2 330.436 0.312 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1NCC#N ZINC001070660692 784515850 /nfs/dbraw/zinc/51/58/50/784515850.db2.gz NNCDOFGWZVYGOI-KFWWJZLASA-N 2 2 330.436 0.312 20 30 ECEDLP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@H](C)O2 ZINC001071195148 784712771 /nfs/dbraw/zinc/71/27/71/784712771.db2.gz SIZBPUNBGJQWMH-WMZOPIPTSA-N 2 2 330.432 0.988 20 30 ECEDLP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@H](C)O2 ZINC001071195148 784712774 /nfs/dbraw/zinc/71/27/74/784712774.db2.gz SIZBPUNBGJQWMH-WMZOPIPTSA-N 2 2 330.432 0.988 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001073667985 786921486 /nfs/dbraw/zinc/92/14/86/786921486.db2.gz SZHZPZFRHNWPEP-OAHLLOKOSA-N 2 2 334.420 0.580 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001073667985 786921492 /nfs/dbraw/zinc/92/14/92/786921492.db2.gz SZHZPZFRHNWPEP-OAHLLOKOSA-N 2 2 334.420 0.580 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C)C1=O ZINC001074629203 787446694 /nfs/dbraw/zinc/44/66/94/787446694.db2.gz IXZXPCLRMUHEPK-KKUMJFAQSA-N 2 2 345.447 0.708 20 30 ECEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001074759932 787776526 /nfs/dbraw/zinc/77/65/26/787776526.db2.gz BYJRKMDOUPEDGN-YVSFHVDLSA-N 2 2 337.464 0.631 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C)C1=O ZINC001075072965 788852030 /nfs/dbraw/zinc/85/20/30/788852030.db2.gz LIYAIUAITRUMMB-KKUMJFAQSA-N 2 2 345.447 0.627 20 30 ECEDLP C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001075394696 789321285 /nfs/dbraw/zinc/32/12/85/789321285.db2.gz FZHBGDFLGLDWDR-DOTOQJQBSA-N 2 2 330.432 0.961 20 30 ECEDLP C#CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001075417589 789346521 /nfs/dbraw/zinc/34/65/21/789346521.db2.gz LDVJOXLMIXDOKE-SJLPKXTDSA-N 2 2 330.432 0.892 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCc2cnn3c2C[N@H+](CC)CC3)CC1 ZINC001069883237 790149561 /nfs/dbraw/zinc/14/95/61/790149561.db2.gz XIFBPLMVATVXMO-UHFFFAOYSA-N 2 2 329.448 0.680 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCc2cnn3c2C[N@@H+](CC)CC3)CC1 ZINC001069883237 790149563 /nfs/dbraw/zinc/14/95/63/790149563.db2.gz XIFBPLMVATVXMO-UHFFFAOYSA-N 2 2 329.448 0.680 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267559784 837770631 /nfs/dbraw/zinc/77/06/31/837770631.db2.gz CLQNXZRXZNTUOR-HNNXBMFYSA-N 2 2 348.447 0.828 20 30 ECEDLP COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267559784 837770641 /nfs/dbraw/zinc/77/06/41/837770641.db2.gz CLQNXZRXZNTUOR-HNNXBMFYSA-N 2 2 348.447 0.828 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267566800 837786355 /nfs/dbraw/zinc/78/63/55/837786355.db2.gz HMCRHABTRSWYGE-HUUCEWRRSA-N 2 2 345.447 0.227 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267566800 837786364 /nfs/dbraw/zinc/78/63/64/837786364.db2.gz HMCRHABTRSWYGE-HUUCEWRRSA-N 2 2 345.447 0.227 20 30 ECEDLP Cc1[nH+]cc2n1C[C@H](C(=O)NCCC[NH+]1CCN(CC#N)CC1)CC2 ZINC001266271334 835593209 /nfs/dbraw/zinc/59/32/09/835593209.db2.gz KMRWDKNUIITXQX-MRXNPFEDSA-N 2 2 344.463 0.401 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001266749755 836238969 /nfs/dbraw/zinc/23/89/69/836238969.db2.gz WPGNNSZRYMPBBZ-ZIAGYGMSSA-N 2 2 333.436 0.184 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001266872054 836419352 /nfs/dbraw/zinc/41/93/52/836419352.db2.gz HCPCYFCFQVQFOS-HNNXBMFYSA-N 2 2 347.463 0.626 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001266873808 836420591 /nfs/dbraw/zinc/42/05/91/836420591.db2.gz YTIOHVJTKKNBJC-HNNXBMFYSA-N 2 2 348.447 0.970 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001266885096 836432119 /nfs/dbraw/zinc/43/21/19/836432119.db2.gz CAZXLGRTWPODRR-CABCVRRESA-N 2 2 333.436 0.545 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC(=O)NCC(C)C)CC1 ZINC001267233363 837038676 /nfs/dbraw/zinc/03/86/76/837038676.db2.gz SNMJXVNAVPFGGR-UHFFFAOYSA-N 2 2 336.480 0.152 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC(=O)NCC(C)C)CC1 ZINC001267233363 837038686 /nfs/dbraw/zinc/03/86/86/837038686.db2.gz SNMJXVNAVPFGGR-UHFFFAOYSA-N 2 2 336.480 0.152 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]([C@H](C)C(=O)NC1CC1)C1CC1 ZINC001267327688 837206615 /nfs/dbraw/zinc/20/66/15/837206615.db2.gz WUHMJQWBTSZGQD-PBHICJAKSA-N 2 2 346.475 0.332 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]([C@H](C)C(=O)NC1CC1)C1CC1 ZINC001267327688 837206622 /nfs/dbraw/zinc/20/66/22/837206622.db2.gz WUHMJQWBTSZGQD-PBHICJAKSA-N 2 2 346.475 0.332 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@H](C)C(=O)NC1CC1)C1CC1 ZINC001267327688 837206631 /nfs/dbraw/zinc/20/66/31/837206631.db2.gz WUHMJQWBTSZGQD-PBHICJAKSA-N 2 2 346.475 0.332 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]([C@H](C)C(=O)NC1CC1)C1CC1 ZINC001267327688 837206637 /nfs/dbraw/zinc/20/66/37/837206637.db2.gz WUHMJQWBTSZGQD-PBHICJAKSA-N 2 2 346.475 0.332 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC(=O)N[C@@H](C)CC)C2)CC1 ZINC001267700863 838298561 /nfs/dbraw/zinc/29/85/61/838298561.db2.gz IEJFODUJJCAVLX-HNNXBMFYSA-N 2 2 348.491 0.294 20 30 ECEDLP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001267703052 838300927 /nfs/dbraw/zinc/30/09/27/838300927.db2.gz LHSPDVUOULGMGI-AWEZNQCLSA-N 2 2 333.436 0.045 20 30 ECEDLP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001267703052 838300933 /nfs/dbraw/zinc/30/09/33/838300933.db2.gz LHSPDVUOULGMGI-AWEZNQCLSA-N 2 2 333.436 0.045 20 30 ECEDLP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267767678 838505441 /nfs/dbraw/zinc/50/54/41/838505441.db2.gz QDLIWUSIGUUATI-GJZGRUSLSA-N 2 2 335.452 0.033 20 30 ECEDLP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267767678 838505446 /nfs/dbraw/zinc/50/54/46/838505446.db2.gz QDLIWUSIGUUATI-GJZGRUSLSA-N 2 2 335.452 0.033 20 30 ECEDLP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267767678 838505449 /nfs/dbraw/zinc/50/54/49/838505449.db2.gz QDLIWUSIGUUATI-GJZGRUSLSA-N 2 2 335.452 0.033 20 30 ECEDLP CN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267767678 838505454 /nfs/dbraw/zinc/50/54/54/838505454.db2.gz QDLIWUSIGUUATI-GJZGRUSLSA-N 2 2 335.452 0.033 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267789467 838569086 /nfs/dbraw/zinc/56/90/86/838569086.db2.gz FVQONYDZKUTQMY-QGZVFWFLSA-N 2 2 348.491 0.391 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000066568187 436689458 /nfs/dbraw/zinc/68/94/58/436689458.db2.gz DZOIEASFHOXVBN-UHFFFAOYSA-N 2 2 336.480 0.555 20 30 ECEDLP CCCNC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000068776645 436755346 /nfs/dbraw/zinc/75/53/46/436755346.db2.gz INQDCQODUAKORY-UHFFFAOYSA-N 2 2 348.447 0.806 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)C(=O)NCC2CCCC2)CC1 ZINC000155066365 436790567 /nfs/dbraw/zinc/79/05/67/436790567.db2.gz CCCATRTWXXRYFQ-UHFFFAOYSA-N 2 2 348.491 0.438 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCN(c2cccs2)CC1 ZINC000158899452 436852590 /nfs/dbraw/zinc/85/25/90/436852590.db2.gz TYPHJGVLQYABAE-CQSZACIVSA-N 2 2 337.493 0.776 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCN(c2cccs2)CC1 ZINC000158899452 436852593 /nfs/dbraw/zinc/85/25/93/436852593.db2.gz TYPHJGVLQYABAE-CQSZACIVSA-N 2 2 337.493 0.776 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000131805067 436857021 /nfs/dbraw/zinc/85/70/21/436857021.db2.gz KDEQBVFVTVCBJF-QGZVFWFLSA-N 2 2 328.416 0.312 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000131805067 436857026 /nfs/dbraw/zinc/85/70/26/436857026.db2.gz KDEQBVFVTVCBJF-QGZVFWFLSA-N 2 2 328.416 0.312 20 30 ECEDLP C=CC[NH+]1CCC(Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000274855920 436882190 /nfs/dbraw/zinc/88/21/90/436882190.db2.gz ZKXPBVCVTAZZEL-UHFFFAOYSA-N 2 2 330.436 0.817 20 30 ECEDLP C=CC[NH+]1CCC(Nc2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000274855920 436882194 /nfs/dbraw/zinc/88/21/94/436882194.db2.gz ZKXPBVCVTAZZEL-UHFFFAOYSA-N 2 2 330.436 0.817 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000305071158 437160887 /nfs/dbraw/zinc/16/08/87/437160887.db2.gz TVBQGVFZDMMEQC-DLBZAZTESA-N 2 2 345.443 0.945 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000305071158 437160893 /nfs/dbraw/zinc/16/08/93/437160893.db2.gz TVBQGVFZDMMEQC-DLBZAZTESA-N 2 2 345.443 0.945 20 30 ECEDLP CC(=O)N1CC[NH+](CCNC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000328797453 437264871 /nfs/dbraw/zinc/26/48/71/437264871.db2.gz FDDXBDLISZPVJX-AWEZNQCLSA-N 2 2 328.482 0.544 20 30 ECEDLP CC(=O)N1CC[NH+](CCNC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000328797453 437264873 /nfs/dbraw/zinc/26/48/73/437264873.db2.gz FDDXBDLISZPVJX-AWEZNQCLSA-N 2 2 328.482 0.544 20 30 ECEDLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C[C@@H]21 ZINC000328896387 437280186 /nfs/dbraw/zinc/28/01/86/437280186.db2.gz VRXWTGVZECUGES-LSDHHAIUSA-N 2 2 340.468 0.416 20 30 ECEDLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC(C)(C)[NH+]3CCOCC3)C[C@@H]21 ZINC000328896387 437280189 /nfs/dbraw/zinc/28/01/89/437280189.db2.gz VRXWTGVZECUGES-LSDHHAIUSA-N 2 2 340.468 0.416 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188324506 437543887 /nfs/dbraw/zinc/54/38/87/437543887.db2.gz GRHLMEZYELHPEC-VQIMIIECSA-N 2 2 329.444 0.693 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188324506 437543892 /nfs/dbraw/zinc/54/38/92/437543892.db2.gz GRHLMEZYELHPEC-VQIMIIECSA-N 2 2 329.444 0.693 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188324506 437543896 /nfs/dbraw/zinc/54/38/96/437543896.db2.gz GRHLMEZYELHPEC-VQIMIIECSA-N 2 2 329.444 0.693 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188324506 437543899 /nfs/dbraw/zinc/54/38/99/437543899.db2.gz GRHLMEZYELHPEC-VQIMIIECSA-N 2 2 329.444 0.693 20 30 ECEDLP C=CCCCCC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000193306833 437706194 /nfs/dbraw/zinc/70/61/94/437706194.db2.gz ROXGLUBKJDPONO-UHFFFAOYSA-N 2 2 344.525 0.843 20 30 ECEDLP C[NH+](C)C1(CNC[C@@H](O)C[N@H+](C)CCC#N)Cc2ccccc2C1 ZINC000564855040 438878788 /nfs/dbraw/zinc/87/87/88/438878788.db2.gz VPJORNCUEIOYJF-GOSISDBHSA-N 2 2 330.476 0.882 20 30 ECEDLP C[NH+](C)C1(CNC[C@@H](O)C[N@@H+](C)CCC#N)Cc2ccccc2C1 ZINC000564855040 438878793 /nfs/dbraw/zinc/87/87/93/438878793.db2.gz VPJORNCUEIOYJF-GOSISDBHSA-N 2 2 330.476 0.882 20 30 ECEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000578523170 438931985 /nfs/dbraw/zinc/93/19/85/438931985.db2.gz PBJAAWKOFPHNNW-IAGOWNOFSA-N 2 2 332.448 0.328 20 30 ECEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000578523170 438931989 /nfs/dbraw/zinc/93/19/89/438931989.db2.gz PBJAAWKOFPHNNW-IAGOWNOFSA-N 2 2 332.448 0.328 20 30 ECEDLP C=CCc1ccc(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000518771580 439009794 /nfs/dbraw/zinc/00/97/94/439009794.db2.gz YPYXUTAFXAFPFL-OAHLLOKOSA-N 2 2 333.432 0.904 20 30 ECEDLP C=CCc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000518771580 439009798 /nfs/dbraw/zinc/00/97/98/439009798.db2.gz YPYXUTAFXAFPFL-OAHLLOKOSA-N 2 2 333.432 0.904 20 30 ECEDLP N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000592147017 439165383 /nfs/dbraw/zinc/16/53/83/439165383.db2.gz HOHBIDKVWWZFAV-QGZVFWFLSA-N 2 2 348.472 0.743 20 30 ECEDLP N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000592147017 439165389 /nfs/dbraw/zinc/16/53/89/439165389.db2.gz HOHBIDKVWWZFAV-QGZVFWFLSA-N 2 2 348.472 0.743 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C(N)=O)[C@H](C)c2ccccc2)CC1 ZINC000491556946 439406240 /nfs/dbraw/zinc/40/62/40/439406240.db2.gz ZVNYZHXIUJSJAO-CRAIPNDOSA-N 2 2 342.443 0.011 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(c3ccncn3)CC2)CC1 ZINC000491628636 439415003 /nfs/dbraw/zinc/41/50/03/439415003.db2.gz NOXTUTYJMFLGHA-UHFFFAOYSA-N 2 2 327.432 0.433 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000491677265 439425635 /nfs/dbraw/zinc/42/56/35/439425635.db2.gz XYGABNZTZPQNKG-UHFFFAOYSA-N 3 2 349.523 0.799 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000491677265 439425639 /nfs/dbraw/zinc/42/56/39/439425639.db2.gz XYGABNZTZPQNKG-UHFFFAOYSA-N 3 2 349.523 0.799 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000491712555 439433052 /nfs/dbraw/zinc/43/30/52/439433052.db2.gz XJUPBBSJIBPTDA-KRWDZBQOSA-N 2 2 336.480 0.838 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000491712555 439433053 /nfs/dbraw/zinc/43/30/53/439433053.db2.gz XJUPBBSJIBPTDA-KRWDZBQOSA-N 2 2 336.480 0.838 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000600751495 439698612 /nfs/dbraw/zinc/69/86/12/439698612.db2.gz CLIHROCFIDCXIL-RDJZCZTQSA-N 2 2 346.431 0.227 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000600751495 439698616 /nfs/dbraw/zinc/69/86/16/439698616.db2.gz CLIHROCFIDCXIL-RDJZCZTQSA-N 2 2 346.431 0.227 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)CCOCC1 ZINC000600746916 439699115 /nfs/dbraw/zinc/69/91/15/439699115.db2.gz YMCKIONALBEFSD-HOTGVXAUSA-N 2 2 325.453 0.494 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CCOCC1 ZINC000600746916 439699118 /nfs/dbraw/zinc/69/91/18/439699118.db2.gz YMCKIONALBEFSD-HOTGVXAUSA-N 2 2 325.453 0.494 20 30 ECEDLP C=CCn1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000644935779 440717859 /nfs/dbraw/zinc/71/78/59/440717859.db2.gz BZZRPGNESZGVQD-AWEZNQCLSA-N 2 2 347.467 0.432 20 30 ECEDLP C=CCn1cc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000644935779 440717866 /nfs/dbraw/zinc/71/78/66/440717866.db2.gz BZZRPGNESZGVQD-AWEZNQCLSA-N 2 2 347.467 0.432 20 30 ECEDLP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC000545273230 322108094 /nfs/dbraw/zinc/10/80/94/322108094.db2.gz RSFYLSNKLHDBNM-ZDUSSCGKSA-N 2 2 333.440 0.195 20 30 ECEDLP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)n1cnc(C#N)n1 ZINC000545273230 322108096 /nfs/dbraw/zinc/10/80/96/322108096.db2.gz RSFYLSNKLHDBNM-ZDUSSCGKSA-N 2 2 333.440 0.195 20 30 ECEDLP CN(C)c1[nH+]cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)n1C ZINC000579344672 322893188 /nfs/dbraw/zinc/89/31/88/322893188.db2.gz KYMZXVHHUYDFNN-UHFFFAOYSA-N 2 2 347.444 0.921 20 30 ECEDLP C[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000329560550 546027683 /nfs/dbraw/zinc/02/76/83/546027683.db2.gz MJTNBUYQRUPVSA-UHFFFAOYSA-N 2 2 336.440 0.635 20 30 ECEDLP C[NH+]1CCN(c2ncc(C=NNCC[NH+]3CCCCC3)cn2)CC1 ZINC000755657797 579436482 /nfs/dbraw/zinc/43/64/82/579436482.db2.gz RDLRUIZZZHMIBK-UHFFFAOYSA-N 2 2 331.468 0.638 20 30 ECEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCC[NH+]3CCCCC3)cn2)CC1 ZINC000755657797 579436483 /nfs/dbraw/zinc/43/64/83/579436483.db2.gz RDLRUIZZZHMIBK-UHFFFAOYSA-N 3 2 331.468 0.638 20 30 ECEDLP C[C@H]1C[N@@H+](C2CC2)CC1=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000755879434 579440377 /nfs/dbraw/zinc/44/03/77/579440377.db2.gz GFBKRPAUNGFCLJ-ZDUSSCGKSA-N 2 2 339.509 0.643 20 30 ECEDLP C[C@H]1C[N@H+](C2CC2)CC1=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000755879434 579440378 /nfs/dbraw/zinc/44/03/78/579440378.db2.gz GFBKRPAUNGFCLJ-ZDUSSCGKSA-N 2 2 339.509 0.643 20 30 ECEDLP C[C@@H]1C[N@@H+](C2CC2)CC1=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000755879430 579440397 /nfs/dbraw/zinc/44/03/97/579440397.db2.gz GFBKRPAUNGFCLJ-CYBMUJFWSA-N 2 2 339.509 0.643 20 30 ECEDLP C[C@@H]1C[N@H+](C2CC2)CC1=NNC(=S)NCCC[NH+]1CCOCC1 ZINC000755879430 579440398 /nfs/dbraw/zinc/44/03/98/579440398.db2.gz GFBKRPAUNGFCLJ-CYBMUJFWSA-N 2 2 339.509 0.643 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)CC1 ZINC000773697351 579232277 /nfs/dbraw/zinc/23/22/77/579232277.db2.gz VMIJCBBUDZXOAA-ZWKOTPCHSA-N 2 2 333.476 0.902 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)CC1 ZINC000773697351 579232279 /nfs/dbraw/zinc/23/22/79/579232279.db2.gz VMIJCBBUDZXOAA-ZWKOTPCHSA-N 2 2 333.476 0.902 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000778325226 579308214 /nfs/dbraw/zinc/30/82/14/579308214.db2.gz HOERMQSZDFCYNE-IRXDYDNUSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000778325226 579308215 /nfs/dbraw/zinc/30/82/15/579308215.db2.gz HOERMQSZDFCYNE-IRXDYDNUSA-N 2 2 335.448 0.034 20 30 ECEDLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(C#N)ccn1 ZINC000902871187 586760676 /nfs/dbraw/zinc/76/06/76/586760676.db2.gz JTIVOCNPRTWVHO-GDBMZVCRSA-N 2 2 343.431 0.537 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000852695746 589506319 /nfs/dbraw/zinc/50/63/19/589506319.db2.gz NWLXZGMEBVXFCA-MRXNPFEDSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000852695746 589506321 /nfs/dbraw/zinc/50/63/21/589506321.db2.gz NWLXZGMEBVXFCA-MRXNPFEDSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)C[C@@H](C(=O)OC)C[C@@H]2C)CC1 ZINC000860188314 589751828 /nfs/dbraw/zinc/75/18/28/589751828.db2.gz LPLIQTXMRSBYBA-MUJYYYPQSA-N 2 2 335.448 0.426 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)C[C@@H](C(=O)OC)C[C@@H]2C)CC1 ZINC000860188314 589751831 /nfs/dbraw/zinc/75/18/31/589751831.db2.gz LPLIQTXMRSBYBA-MUJYYYPQSA-N 2 2 335.448 0.426 20 30 ECEDLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000878800551 590543440 /nfs/dbraw/zinc/54/34/40/590543440.db2.gz AVPMQOBBWLCIEE-QGZVFWFLSA-N 2 2 330.432 0.734 20 30 ECEDLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000878800551 590543441 /nfs/dbraw/zinc/54/34/41/590543441.db2.gz AVPMQOBBWLCIEE-QGZVFWFLSA-N 2 2 330.432 0.734 20 30 ECEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000884317618 590804010 /nfs/dbraw/zinc/80/40/10/590804010.db2.gz ZBNOLTYCLUPVDK-NWPKHEMWSA-N 2 2 325.416 0.916 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000884387642 590817953 /nfs/dbraw/zinc/81/79/53/590817953.db2.gz ZOBSIADLDCHPHZ-SJORKVTESA-N 2 2 345.443 0.818 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000884387642 590817957 /nfs/dbraw/zinc/81/79/57/590817957.db2.gz ZOBSIADLDCHPHZ-SJORKVTESA-N 2 2 345.443 0.818 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000884404238 590821022 /nfs/dbraw/zinc/82/10/22/590821022.db2.gz GTCZWRATSBRDIK-OWCLPIDISA-N 2 2 331.416 0.695 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130683 590946403 /nfs/dbraw/zinc/94/64/03/590946403.db2.gz IZZDPSLGUIXHIV-KBPBESRZSA-N 2 2 331.420 0.992 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130683 590946407 /nfs/dbraw/zinc/94/64/07/590946407.db2.gz IZZDPSLGUIXHIV-KBPBESRZSA-N 2 2 331.420 0.992 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)C1 ZINC000890364721 591152255 /nfs/dbraw/zinc/15/22/55/591152255.db2.gz HDQSISHXQOXDJX-QGZVFWFLSA-N 2 2 337.512 0.609 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)C1 ZINC000890364721 591152259 /nfs/dbraw/zinc/15/22/59/591152259.db2.gz HDQSISHXQOXDJX-QGZVFWFLSA-N 2 2 337.512 0.609 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000890364721 591152263 /nfs/dbraw/zinc/15/22/63/591152263.db2.gz HDQSISHXQOXDJX-QGZVFWFLSA-N 2 2 337.512 0.609 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000890364721 591152267 /nfs/dbraw/zinc/15/22/67/591152267.db2.gz HDQSISHXQOXDJX-QGZVFWFLSA-N 2 2 337.512 0.609 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000890364721 591152269 /nfs/dbraw/zinc/15/22/69/591152269.db2.gz HDQSISHXQOXDJX-QGZVFWFLSA-N 2 2 337.512 0.609 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)C1 ZINC000890364721 591152272 /nfs/dbraw/zinc/15/22/72/591152272.db2.gz HDQSISHXQOXDJX-QGZVFWFLSA-N 2 2 337.512 0.609 20 30 ECEDLP C[C@@H](CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C)[NH+](C)C ZINC000912505687 609962675 /nfs/dbraw/zinc/96/26/75/609962675.db2.gz DMFPOZNALCSXFA-HNNXBMFYSA-N 3 2 327.517 0.993 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000941596038 610390405 /nfs/dbraw/zinc/39/04/05/610390405.db2.gz UNWGTRDJERXMAW-KRWDZBQOSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC000941634116 610419648 /nfs/dbraw/zinc/41/96/48/610419648.db2.gz DVIALYJETAZQBB-UHFFFAOYSA-N 2 2 344.503 0.570 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1cc[nH+]c1C ZINC000950755200 611890803 /nfs/dbraw/zinc/89/08/03/611890803.db2.gz GMIAMKFKNUTOFA-HOTGVXAUSA-N 2 2 343.431 0.006 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)Cn1cc[nH+]c1C ZINC000950755200 611890805 /nfs/dbraw/zinc/89/08/05/611890805.db2.gz GMIAMKFKNUTOFA-HOTGVXAUSA-N 2 2 343.431 0.006 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ncnn1C ZINC001024987224 738461403 /nfs/dbraw/zinc/46/14/03/738461403.db2.gz FYXJFYPPDJRHJG-HOTGVXAUSA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1ncnn1C ZINC001024987224 738461405 /nfs/dbraw/zinc/46/14/05/738461405.db2.gz FYXJFYPPDJRHJG-HOTGVXAUSA-N 2 2 344.463 0.383 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C2)C1=O ZINC000969436334 731877882 /nfs/dbraw/zinc/87/78/82/731877882.db2.gz DIFBWZXZOVWWNA-HUUCEWRRSA-N 2 2 345.447 0.330 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167532798 735576245 /nfs/dbraw/zinc/57/62/45/735576245.db2.gz ZTSNVFZBPQCBIL-ZDUSSCGKSA-N 2 2 333.436 0.519 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001023024984 736408955 /nfs/dbraw/zinc/40/89/55/736408955.db2.gz OYUCDHHCCJVDJE-MJBXVCDLSA-N 2 2 331.420 0.284 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001105259991 741583087 /nfs/dbraw/zinc/58/30/87/741583087.db2.gz WDPDTERDEUGMKK-MRXNPFEDSA-N 2 2 330.436 0.115 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998814132 744357141 /nfs/dbraw/zinc/35/71/41/744357141.db2.gz XWRSURVGVJITFZ-STQMWFEESA-N 2 2 346.269 0.806 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998814132 744357144 /nfs/dbraw/zinc/35/71/44/744357144.db2.gz XWRSURVGVJITFZ-STQMWFEESA-N 2 2 346.269 0.806 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC000999046420 744483974 /nfs/dbraw/zinc/48/39/74/744483974.db2.gz SNVRZRYLWRQSFI-HUUCEWRRSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC000999834707 744930225 /nfs/dbraw/zinc/93/02/25/744930225.db2.gz DNBVIQJIKSDZQM-HOTGVXAUSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC000985074685 747325811 /nfs/dbraw/zinc/32/58/11/747325811.db2.gz ZCYVWAVIKSPSGL-RBSFLKMASA-N 2 2 345.447 0.532 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208802 747750715 /nfs/dbraw/zinc/75/07/15/747750715.db2.gz SASMHEUQWGWYRD-QYZOEREBSA-N 2 2 345.487 0.901 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208802 747750720 /nfs/dbraw/zinc/75/07/20/747750720.db2.gz SASMHEUQWGWYRD-QYZOEREBSA-N 2 2 345.487 0.901 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001027804413 747915088 /nfs/dbraw/zinc/91/50/88/747915088.db2.gz AMWFNKJQOSAOPO-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001027804413 747915090 /nfs/dbraw/zinc/91/50/90/747915090.db2.gz AMWFNKJQOSAOPO-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC001027804413 747915094 /nfs/dbraw/zinc/91/50/94/747915094.db2.gz AMWFNKJQOSAOPO-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC001027804413 747915098 /nfs/dbraw/zinc/91/50/98/747915098.db2.gz AMWFNKJQOSAOPO-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nonc2C)C1 ZINC001029757974 748269667 /nfs/dbraw/zinc/26/96/67/748269667.db2.gz NBBYNAHFNHQWBO-RDJZCZTQSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2nonc2C)C1 ZINC001029757974 748269670 /nfs/dbraw/zinc/26/96/70/748269670.db2.gz NBBYNAHFNHQWBO-RDJZCZTQSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2nonc2C)C1 ZINC001029757974 748269673 /nfs/dbraw/zinc/26/96/73/748269673.db2.gz NBBYNAHFNHQWBO-RDJZCZTQSA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2nonc2C)C1 ZINC001029757974 748269675 /nfs/dbraw/zinc/26/96/75/748269675.db2.gz NBBYNAHFNHQWBO-RDJZCZTQSA-N 2 2 345.447 0.756 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001098734536 749159041 /nfs/dbraw/zinc/15/90/41/749159041.db2.gz VIQHXVVECLYMJQ-WBVHZDCISA-N 2 2 344.463 0.506 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1=O ZINC000981953154 751326750 /nfs/dbraw/zinc/32/67/50/751326750.db2.gz HAVJQVLAJREWAN-SJORKVTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1=O ZINC000981953154 751326756 /nfs/dbraw/zinc/32/67/56/751326756.db2.gz HAVJQVLAJREWAN-SJORKVTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1=O ZINC000981953154 751326762 /nfs/dbraw/zinc/32/67/62/751326762.db2.gz HAVJQVLAJREWAN-SJORKVTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1=O ZINC000981953154 751326770 /nfs/dbraw/zinc/32/67/70/751326770.db2.gz HAVJQVLAJREWAN-SJORKVTESA-N 2 2 348.491 0.792 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2nccn2C)CC1 ZINC001028333353 752400724 /nfs/dbraw/zinc/40/07/24/752400724.db2.gz IFYRJWPUQCMWPE-QGZVFWFLSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2nccn2C)CC1 ZINC001028333353 752400726 /nfs/dbraw/zinc/40/07/26/752400726.db2.gz IFYRJWPUQCMWPE-QGZVFWFLSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnon3)C[C@@H]2C)CC1 ZINC000989828551 754497516 /nfs/dbraw/zinc/49/75/16/754497516.db2.gz FQPGYZRQMCRVSD-DZGCQCFKSA-N 2 2 331.420 0.494 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3csnn3)C[C@@H]2C)CC1 ZINC000989829278 754498784 /nfs/dbraw/zinc/49/87/84/754498784.db2.gz QPPCTWIOXDYLDF-ZFWWWQNUSA-N 2 2 347.488 0.962 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028711434 754792444 /nfs/dbraw/zinc/79/24/44/754792444.db2.gz AWDAREPEWYRABJ-ROUUACIJSA-N 2 2 333.476 0.949 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028711434 754792445 /nfs/dbraw/zinc/79/24/45/754792445.db2.gz AWDAREPEWYRABJ-ROUUACIJSA-N 2 2 333.476 0.949 20 30 ECEDLP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001028711434 754792446 /nfs/dbraw/zinc/79/24/46/754792446.db2.gz AWDAREPEWYRABJ-ROUUACIJSA-N 2 2 333.476 0.949 20 30 ECEDLP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001028711434 754792447 /nfs/dbraw/zinc/79/24/47/754792447.db2.gz AWDAREPEWYRABJ-ROUUACIJSA-N 2 2 333.476 0.949 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001076294945 756339814 /nfs/dbraw/zinc/33/98/14/756339814.db2.gz AYJDOGNBXSQJQR-NUEKZKHPSA-N 2 2 343.431 0.272 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cc4c[nH+]c[nH]4)[C@@H]3C2)C1=O ZINC001076294945 756339818 /nfs/dbraw/zinc/33/98/18/756339818.db2.gz AYJDOGNBXSQJQR-NUEKZKHPSA-N 2 2 343.431 0.272 20 30 ECEDLP C=C(C)CC[NH+]1CC(n2cc(CNC(=O)Cn3c[nH+]cc3C)nn2)C1 ZINC001107185499 757360089 /nfs/dbraw/zinc/36/00/89/757360089.db2.gz UZZPWCYTGBHELZ-UHFFFAOYSA-N 2 2 343.435 0.922 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+]3CCC[C@H]3C)nn2)C1 ZINC001107209539 757687969 /nfs/dbraw/zinc/68/79/69/757687969.db2.gz TTXACILPZLPQHW-CQSZACIVSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+]3CCC[C@H]3C)nn2)C1 ZINC001107209539 757687973 /nfs/dbraw/zinc/68/79/73/757687973.db2.gz TTXACILPZLPQHW-CQSZACIVSA-N 2 2 330.436 0.259 20 30 ECEDLP C=CCC[NH+]1CC(n2cc(CNC(=O)Cc3c[nH+]cn3C)nn2)C1 ZINC001107229688 757991737 /nfs/dbraw/zinc/99/17/37/757991737.db2.gz OHOMDEWNCYPAJM-UHFFFAOYSA-N 2 2 329.408 0.303 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1O ZINC001077159190 758376633 /nfs/dbraw/zinc/37/66/33/758376633.db2.gz SPDNACGCCLGNGM-FGTMMUONSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1O ZINC001077159190 758376642 /nfs/dbraw/zinc/37/66/42/758376642.db2.gz SPDNACGCCLGNGM-FGTMMUONSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1O ZINC001077159190 758376651 /nfs/dbraw/zinc/37/66/51/758376651.db2.gz SPDNACGCCLGNGM-FGTMMUONSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CCCC2)C[C@H]1O ZINC001077159190 758376661 /nfs/dbraw/zinc/37/66/61/758376661.db2.gz SPDNACGCCLGNGM-FGTMMUONSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001022221528 758442610 /nfs/dbraw/zinc/44/26/10/758442610.db2.gz IJUYLWDDYYTXHK-RZFFKMDDSA-N 2 2 331.420 0.773 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001022221528 758442614 /nfs/dbraw/zinc/44/26/14/758442614.db2.gz IJUYLWDDYYTXHK-RZFFKMDDSA-N 2 2 331.420 0.773 20 30 ECEDLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077237635 758572584 /nfs/dbraw/zinc/57/25/84/758572584.db2.gz NRDGNSZVCXSJBI-FGTMMUONSA-N 2 2 342.443 0.704 20 30 ECEDLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077237635 758572589 /nfs/dbraw/zinc/57/25/89/758572589.db2.gz NRDGNSZVCXSJBI-FGTMMUONSA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077237635 758572598 /nfs/dbraw/zinc/57/25/98/758572598.db2.gz NRDGNSZVCXSJBI-FGTMMUONSA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077237635 758572601 /nfs/dbraw/zinc/57/26/01/758572601.db2.gz NRDGNSZVCXSJBI-FGTMMUONSA-N 2 2 342.443 0.704 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001077366701 758917170 /nfs/dbraw/zinc/91/71/70/758917170.db2.gz WBTIIOXYZQMDKO-HZPDHXFCSA-N 2 2 327.388 0.618 20 30 ECEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001077366701 758917176 /nfs/dbraw/zinc/91/71/76/758917176.db2.gz WBTIIOXYZQMDKO-HZPDHXFCSA-N 2 2 327.388 0.618 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001051082288 761456609 /nfs/dbraw/zinc/45/66/09/761456609.db2.gz XZKXEEAQXMOTJH-IAGOWNOFSA-N 2 2 339.480 0.879 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082288 761456612 /nfs/dbraw/zinc/45/66/12/761456612.db2.gz XZKXEEAQXMOTJH-IAGOWNOFSA-N 2 2 339.480 0.879 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001051082288 761456614 /nfs/dbraw/zinc/45/66/14/761456614.db2.gz XZKXEEAQXMOTJH-IAGOWNOFSA-N 2 2 339.480 0.879 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001051082288 761456618 /nfs/dbraw/zinc/45/66/18/761456618.db2.gz XZKXEEAQXMOTJH-IAGOWNOFSA-N 2 2 339.480 0.879 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2ccnn2C)C1 ZINC001014774392 763133575 /nfs/dbraw/zinc/13/35/75/763133575.db2.gz DFMZMOPQCQIXLX-WBVHZDCISA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001014774392 763133579 /nfs/dbraw/zinc/13/35/79/763133579.db2.gz DFMZMOPQCQIXLX-WBVHZDCISA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001014774392 763133588 /nfs/dbraw/zinc/13/35/88/763133588.db2.gz DFMZMOPQCQIXLX-WBVHZDCISA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001014774392 763133595 /nfs/dbraw/zinc/13/35/95/763133595.db2.gz DFMZMOPQCQIXLX-WBVHZDCISA-N 2 2 329.448 0.251 20 30 ECEDLP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001031868892 763182937 /nfs/dbraw/zinc/18/29/37/763182937.db2.gz MAOHPNPEDAMFDJ-SJORKVTESA-N 2 2 337.464 0.490 20 30 ECEDLP N#Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)c1 ZINC001051947931 763419552 /nfs/dbraw/zinc/41/95/52/763419552.db2.gz GAQUFMMUKQWBSH-KRWDZBQOSA-N 2 2 339.399 0.772 20 30 ECEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)cc1 ZINC001051949276 763423435 /nfs/dbraw/zinc/42/34/35/763423435.db2.gz YECXFLAUDKALBG-QGZVFWFLSA-N 2 2 339.399 0.772 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052027990 763624052 /nfs/dbraw/zinc/62/40/52/763624052.db2.gz MFVUCICPJRZXAG-RTBURBONSA-N 2 2 344.503 0.570 20 30 ECEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052028929 763625003 /nfs/dbraw/zinc/62/50/03/763625003.db2.gz VAMMDMPJKUNOPQ-MOPGFXCFSA-N 2 2 344.503 0.570 20 30 ECEDLP N#CCN1CC[NH+]([C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001052047873 763692845 /nfs/dbraw/zinc/69/28/45/763692845.db2.gz DJLWKEDELXXELA-MRXNPFEDSA-N 2 2 331.464 0.357 20 30 ECEDLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052048533 763696226 /nfs/dbraw/zinc/69/62/26/763696226.db2.gz WXQCGSNHGBHNDK-ROUUACIJSA-N 2 2 347.507 0.849 20 30 ECEDLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052048533 763696229 /nfs/dbraw/zinc/69/62/29/763696229.db2.gz WXQCGSNHGBHNDK-ROUUACIJSA-N 2 2 347.507 0.849 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001052048427 763696521 /nfs/dbraw/zinc/69/65/21/763696521.db2.gz UBAXYDWMECLUOX-MOPGFXCFSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001052048427 763696528 /nfs/dbraw/zinc/69/65/28/763696528.db2.gz UBAXYDWMECLUOX-MOPGFXCFSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC001052048427 763696535 /nfs/dbraw/zinc/69/65/35/763696535.db2.gz UBAXYDWMECLUOX-MOPGFXCFSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001052048427 763696541 /nfs/dbraw/zinc/69/65/41/763696541.db2.gz UBAXYDWMECLUOX-MOPGFXCFSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001052052595 763717030 /nfs/dbraw/zinc/71/70/30/763717030.db2.gz QWEWULYXFIPIMQ-GOSISDBHSA-N 2 2 337.427 0.800 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC2)C1 ZINC000941570999 763806671 /nfs/dbraw/zinc/80/66/71/763806671.db2.gz IHIVQBRQPPCIOP-IAGOWNOFSA-N 2 2 341.459 0.375 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001052119349 763936393 /nfs/dbraw/zinc/93/63/93/763936393.db2.gz PLCLELBHHUFJKA-RTBURBONSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001052119349 763936404 /nfs/dbraw/zinc/93/64/04/763936404.db2.gz PLCLELBHHUFJKA-RTBURBONSA-N 2 2 346.519 0.959 20 30 ECEDLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083780279 764450469 /nfs/dbraw/zinc/45/04/69/764450469.db2.gz QSDDDWKSLKPBPX-OLMNPRSZSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083780279 764450474 /nfs/dbraw/zinc/45/04/74/764450474.db2.gz QSDDDWKSLKPBPX-OLMNPRSZSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083780279 764450478 /nfs/dbraw/zinc/45/04/78/764450478.db2.gz QSDDDWKSLKPBPX-OLMNPRSZSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083780279 764450482 /nfs/dbraw/zinc/45/04/82/764450482.db2.gz QSDDDWKSLKPBPX-OLMNPRSZSA-N 2 2 342.443 0.561 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047505823 764541715 /nfs/dbraw/zinc/54/17/15/764541715.db2.gz YCJDCYJCAJQQRJ-XIRDDKMYSA-N 2 2 330.432 0.281 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047505823 764541719 /nfs/dbraw/zinc/54/17/19/764541719.db2.gz YCJDCYJCAJQQRJ-XIRDDKMYSA-N 2 2 330.432 0.281 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001015498555 764805747 /nfs/dbraw/zinc/80/57/47/764805747.db2.gz LPBJKUHHWYBUFP-JKSUJKDBSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001015498555 764805754 /nfs/dbraw/zinc/80/57/54/764805754.db2.gz LPBJKUHHWYBUFP-JKSUJKDBSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C)C[NH+]1CCOCC1)CCO2 ZINC001053533063 766293055 /nfs/dbraw/zinc/29/30/55/766293055.db2.gz KVAJMWJVTOQKDC-MRXNPFEDSA-N 2 2 337.464 0.444 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCOC3(C[NH+](CCC=C)C3)C2)CC1 ZINC001053541408 766307295 /nfs/dbraw/zinc/30/72/95/766307295.db2.gz XMFDAAKTEMMUFU-UHFFFAOYSA-N 2 2 331.460 0.821 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001077555475 766402144 /nfs/dbraw/zinc/40/21/44/766402144.db2.gz QDFVUOAVLPPCOP-FGTMMUONSA-N 2 2 333.476 0.968 20 30 ECEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001077555475 766402147 /nfs/dbraw/zinc/40/21/47/766402147.db2.gz QDFVUOAVLPPCOP-FGTMMUONSA-N 2 2 333.476 0.968 20 30 ECEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001077555475 766402152 /nfs/dbraw/zinc/40/21/52/766402152.db2.gz QDFVUOAVLPPCOP-FGTMMUONSA-N 2 2 333.476 0.968 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)O2 ZINC001053618204 766443955 /nfs/dbraw/zinc/44/39/55/766443955.db2.gz RXXDVJKBHKUSPN-BZUAXINKSA-N 2 2 335.448 0.078 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)O2 ZINC001053618204 766443959 /nfs/dbraw/zinc/44/39/59/766443959.db2.gz RXXDVJKBHKUSPN-BZUAXINKSA-N 2 2 335.448 0.078 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)O2 ZINC001053700525 766619571 /nfs/dbraw/zinc/61/95/71/766619571.db2.gz WUQSYHONWGKNBD-HOTGVXAUSA-N 2 2 335.448 0.080 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700525 766619577 /nfs/dbraw/zinc/61/95/77/766619577.db2.gz WUQSYHONWGKNBD-HOTGVXAUSA-N 2 2 335.448 0.080 20 30 ECEDLP CC(C)[C@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)[NH+]1CCCC1 ZINC001046085082 766926418 /nfs/dbraw/zinc/92/64/18/766926418.db2.gz KDHBECQZQQFDEM-ZWKOTPCHSA-N 2 2 347.507 0.849 20 30 ECEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)O1 ZINC001031768432 767173309 /nfs/dbraw/zinc/17/33/09/767173309.db2.gz DLEIGXGOFFGKNF-MLGOLLRUSA-N 2 2 348.472 0.887 20 30 ECEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)O1 ZINC001031768432 767173315 /nfs/dbraw/zinc/17/33/15/767173315.db2.gz DLEIGXGOFFGKNF-MLGOLLRUSA-N 2 2 348.472 0.887 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)CO2 ZINC001053953121 767439256 /nfs/dbraw/zinc/43/92/56/767439256.db2.gz MFNODFSZGIIABE-MRXNPFEDSA-N 2 2 347.463 0.594 20 30 ECEDLP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168463774 767805376 /nfs/dbraw/zinc/80/53/76/767805376.db2.gz WBOJWFYLCWYDPA-UHFFFAOYSA-N 2 2 345.447 0.289 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001098789388 768572688 /nfs/dbraw/zinc/57/26/88/768572688.db2.gz CHAWLEZBFGBYDP-OAHLLOKOSA-N 2 2 329.408 0.614 20 30 ECEDLP CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001055573163 769153136 /nfs/dbraw/zinc/15/31/36/769153136.db2.gz PVDWGQSITUGCOX-UHFFFAOYSA-N 2 2 345.447 0.239 20 30 ECEDLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055631513 769303974 /nfs/dbraw/zinc/30/39/74/769303974.db2.gz HDVIHISWLUFAKV-ZDUSSCGKSA-N 2 2 346.435 0.048 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](Cc3cnon3)CC2)CC1 ZINC001045647114 775961516 /nfs/dbraw/zinc/96/15/16/775961516.db2.gz SMDJSIVXCOHYQF-UHFFFAOYSA-N 2 2 345.447 0.886 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1C ZINC001079878444 777011116 /nfs/dbraw/zinc/01/11/16/777011116.db2.gz ZEIKYLMIKRNMEU-NXHRZFHOSA-N 2 2 343.475 0.497 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1C ZINC001079878444 777011125 /nfs/dbraw/zinc/01/11/25/777011125.db2.gz ZEIKYLMIKRNMEU-NXHRZFHOSA-N 2 2 343.475 0.497 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1C ZINC001079878444 777011129 /nfs/dbraw/zinc/01/11/29/777011129.db2.gz ZEIKYLMIKRNMEU-NXHRZFHOSA-N 2 2 343.475 0.497 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1C ZINC001079878444 777011138 /nfs/dbraw/zinc/01/11/38/777011138.db2.gz ZEIKYLMIKRNMEU-NXHRZFHOSA-N 2 2 343.475 0.497 20 30 ECEDLP C#CCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079275063 780951194 /nfs/dbraw/zinc/95/11/94/780951194.db2.gz BAWIZRMWHFXSLP-DLBZAZTESA-N 2 2 342.443 0.846 20 30 ECEDLP C=CC[NH+]1CC2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H]2c1nnc(C)[nH]1 ZINC001070451730 784114353 /nfs/dbraw/zinc/11/43/53/784114353.db2.gz BYMYRLHAAUCJQB-HNNXBMFYSA-N 2 2 344.463 0.623 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070644976 784488883 /nfs/dbraw/zinc/48/88/83/784488883.db2.gz HCLKHMOOCPPJCD-BZUAXINKSA-N 2 2 344.463 0.700 20 30 ECEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070644976 784488889 /nfs/dbraw/zinc/48/88/89/784488889.db2.gz HCLKHMOOCPPJCD-BZUAXINKSA-N 2 2 344.463 0.700 20 30 ECEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073746013 787111269 /nfs/dbraw/zinc/11/12/69/787111269.db2.gz MQNUBJSJZYGAFP-NVXWUHKLSA-N 2 2 330.432 0.594 20 30 ECEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073746013 787111270 /nfs/dbraw/zinc/11/12/70/787111270.db2.gz MQNUBJSJZYGAFP-NVXWUHKLSA-N 2 2 330.432 0.594 20 30 ECEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764627 787157534 /nfs/dbraw/zinc/15/75/34/787157534.db2.gz IXQCICWISFQTCX-NVXWUHKLSA-N 2 2 330.432 0.594 20 30 ECEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764627 787157536 /nfs/dbraw/zinc/15/75/36/787157536.db2.gz IXQCICWISFQTCX-NVXWUHKLSA-N 2 2 330.432 0.594 20 30 ECEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849613 788955197 /nfs/dbraw/zinc/95/51/97/788955197.db2.gz IXIHBCZUECFVHP-ZIAGYGMSSA-N 2 2 327.856 0.992 20 30 ECEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072849613 788955200 /nfs/dbraw/zinc/95/52/00/788955200.db2.gz IXIHBCZUECFVHP-ZIAGYGMSSA-N 2 2 327.856 0.992 20 30 ECEDLP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849613 788955205 /nfs/dbraw/zinc/95/52/05/788955205.db2.gz IXIHBCZUECFVHP-ZIAGYGMSSA-N 2 2 327.856 0.992 20 30 ECEDLP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072849613 788955210 /nfs/dbraw/zinc/95/52/10/788955210.db2.gz IXIHBCZUECFVHP-ZIAGYGMSSA-N 2 2 327.856 0.992 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001075394699 789321882 /nfs/dbraw/zinc/32/18/82/789321882.db2.gz FZHBGDFLGLDWDR-WBVHZDCISA-N 2 2 330.432 0.961 20 30 ECEDLP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)CC[NH+]1CCOCC1 ZINC001266337573 835722050 /nfs/dbraw/zinc/72/20/50/835722050.db2.gz KNXCBBFIENGVNS-UHFFFAOYSA-N 2 2 329.444 0.808 20 30 ECEDLP C[N@H+](CC#Cc1ccccc1)CCNC(=O)CC[NH+]1CCOCC1 ZINC001266337573 835722059 /nfs/dbraw/zinc/72/20/59/835722059.db2.gz KNXCBBFIENGVNS-UHFFFAOYSA-N 2 2 329.444 0.808 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266521101 835936003 /nfs/dbraw/zinc/93/60/03/835936003.db2.gz ZUNHYGILSHWNHW-CABCVRRESA-N 2 2 345.447 0.186 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266521101 835936010 /nfs/dbraw/zinc/93/60/10/835936010.db2.gz ZUNHYGILSHWNHW-CABCVRRESA-N 2 2 345.447 0.186 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266546678 835967694 /nfs/dbraw/zinc/96/76/94/835967694.db2.gz VFEGPIQFDZYZID-KBPBESRZSA-N 2 2 333.436 0.389 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266546678 835967701 /nfs/dbraw/zinc/96/77/01/835967701.db2.gz VFEGPIQFDZYZID-KBPBESRZSA-N 2 2 333.436 0.389 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266546681 835967811 /nfs/dbraw/zinc/96/78/11/835967811.db2.gz VFEGPIQFDZYZID-ZIAGYGMSSA-N 2 2 333.436 0.389 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266546681 835967813 /nfs/dbraw/zinc/96/78/13/835967813.db2.gz VFEGPIQFDZYZID-ZIAGYGMSSA-N 2 2 333.436 0.389 20 30 ECEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001266607831 836042292 /nfs/dbraw/zinc/04/22/92/836042292.db2.gz LLKCJWJMXMCGCH-VQHPVUNQSA-N 2 2 335.448 0.126 20 30 ECEDLP C=CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001266614306 836048414 /nfs/dbraw/zinc/04/84/14/836048414.db2.gz ZXKVVJKYKWYXTL-SJORKVTESA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001266614306 836048431 /nfs/dbraw/zinc/04/84/31/836048431.db2.gz ZXKVVJKYKWYXTL-SJORKVTESA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001266614306 836048437 /nfs/dbraw/zinc/04/84/37/836048437.db2.gz ZXKVVJKYKWYXTL-SJORKVTESA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001266614306 836048447 /nfs/dbraw/zinc/04/84/47/836048447.db2.gz ZXKVVJKYKWYXTL-SJORKVTESA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001267053474 836687690 /nfs/dbraw/zinc/68/76/90/836687690.db2.gz PIDOVVYSXZHXAS-GJZGRUSLSA-N 2 2 333.436 0.402 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267112196 836799888 /nfs/dbraw/zinc/79/98/88/836799888.db2.gz PRGFAUVQDXGFPD-UKRRQHHQSA-N 2 2 333.436 0.566 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267112196 836799899 /nfs/dbraw/zinc/79/98/99/836799899.db2.gz PRGFAUVQDXGFPD-UKRRQHHQSA-N 2 2 333.436 0.566 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267703307 838301555 /nfs/dbraw/zinc/30/15/55/838301555.db2.gz OJZKRTHTGABIAB-CABCVRRESA-N 2 2 345.447 0.179 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267703307 838301562 /nfs/dbraw/zinc/30/15/62/838301562.db2.gz OJZKRTHTGABIAB-CABCVRRESA-N 2 2 345.447 0.179 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267725795 838395053 /nfs/dbraw/zinc/39/50/53/838395053.db2.gz CYHYCXPAXXXPHR-DOTOQJQBSA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001267725795 838395055 /nfs/dbraw/zinc/39/50/55/838395055.db2.gz CYHYCXPAXXXPHR-DOTOQJQBSA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001267725795 838395061 /nfs/dbraw/zinc/39/50/61/838395061.db2.gz CYHYCXPAXXXPHR-DOTOQJQBSA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001267725795 838395070 /nfs/dbraw/zinc/39/50/70/838395070.db2.gz CYHYCXPAXXXPHR-DOTOQJQBSA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001077941445 781980561 /nfs/dbraw/zinc/98/05/61/781980561.db2.gz OKQYXDMPQYQFGB-HZPDHXFCSA-N 2 2 327.388 0.618 20 30 ECEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001077941445 781980566 /nfs/dbraw/zinc/98/05/66/781980566.db2.gz OKQYXDMPQYQFGB-HZPDHXFCSA-N 2 2 327.388 0.618 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000246796309 165142791 /nfs/dbraw/zinc/14/27/91/165142791.db2.gz PGWJSZRRCQPAEM-ZWKOTPCHSA-N 2 2 345.443 0.952 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000246796309 165142794 /nfs/dbraw/zinc/14/27/94/165142794.db2.gz PGWJSZRRCQPAEM-ZWKOTPCHSA-N 2 2 345.443 0.952 20 30 ECEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)o1 ZINC000369972162 268076478 /nfs/dbraw/zinc/07/64/78/268076478.db2.gz DIDRKFMSBMJTBY-INIZCTEOSA-N 2 2 332.404 0.564 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)CC1 ZINC000073117554 436068858 /nfs/dbraw/zinc/06/88/58/436068858.db2.gz UBPQQCNRQQRJDM-AWEZNQCLSA-N 2 2 334.489 0.967 20 30 ECEDLP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000245415052 436762986 /nfs/dbraw/zinc/76/29/86/436762986.db2.gz CXOGGBXLMWHUKO-IEBWSBKVSA-N 2 2 347.507 0.897 20 30 ECEDLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000245415052 436762989 /nfs/dbraw/zinc/76/29/89/436762989.db2.gz CXOGGBXLMWHUKO-IEBWSBKVSA-N 2 2 347.507 0.897 20 30 ECEDLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)c1 ZINC000264211111 437018232 /nfs/dbraw/zinc/01/82/32/437018232.db2.gz SGXIQZUMYIWNGL-AWEZNQCLSA-N 2 2 331.420 0.973 20 30 ECEDLP C#Cc1cccc(NC(=O)C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000283396744 437029687 /nfs/dbraw/zinc/02/96/87/437029687.db2.gz DOZAPSMCVOGYTN-UHFFFAOYSA-N 2 2 342.443 0.702 20 30 ECEDLP C#Cc1cccc(NC(=O)C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000283396744 437029693 /nfs/dbraw/zinc/02/96/93/437029693.db2.gz DOZAPSMCVOGYTN-UHFFFAOYSA-N 2 2 342.443 0.702 20 30 ECEDLP C=CCN(CC=C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000285734127 437080644 /nfs/dbraw/zinc/08/06/44/437080644.db2.gz BWNNGNIKMAUOFB-UHFFFAOYSA-N 2 2 348.491 0.862 20 30 ECEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CCO[C@@H](COC)C1 ZINC000179263673 437257848 /nfs/dbraw/zinc/25/78/48/437257848.db2.gz OTGPYPDLYSVTMI-OAHLLOKOSA-N 2 2 344.419 0.690 20 30 ECEDLP C[C@H](CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000329228119 437336456 /nfs/dbraw/zinc/33/64/56/437336456.db2.gz AHWLFPHHXGRUBN-CVEARBPZSA-N 2 2 325.501 0.856 20 30 ECEDLP C[C@H](CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)[NH+]1CCC(C)CC1 ZINC000329228119 437336459 /nfs/dbraw/zinc/33/64/59/437336459.db2.gz AHWLFPHHXGRUBN-CVEARBPZSA-N 2 2 325.501 0.856 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330522142 437537741 /nfs/dbraw/zinc/53/77/41/437537741.db2.gz JRMTXFSULAQZCQ-IXDOHACOSA-N 2 2 335.496 0.705 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330522142 437537748 /nfs/dbraw/zinc/53/77/48/437537748.db2.gz JRMTXFSULAQZCQ-IXDOHACOSA-N 2 2 335.496 0.705 20 30 ECEDLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000331376461 437748272 /nfs/dbraw/zinc/74/82/72/437748272.db2.gz GZCSJJAVMBUELR-KGLIPLIRSA-N 2 2 347.463 0.174 20 30 ECEDLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000331376461 437748275 /nfs/dbraw/zinc/74/82/75/437748275.db2.gz GZCSJJAVMBUELR-KGLIPLIRSA-N 2 2 347.463 0.174 20 30 ECEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N(CCC#N)CCC#N ZINC000371295844 437913432 /nfs/dbraw/zinc/91/34/32/437913432.db2.gz VIFKBWITQPTEFB-ZACQAIPSSA-N 2 2 347.463 0.826 20 30 ECEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)N(CCC#N)CCC#N ZINC000371295844 437913436 /nfs/dbraw/zinc/91/34/36/437913436.db2.gz VIFKBWITQPTEFB-ZACQAIPSSA-N 2 2 347.463 0.826 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371306199 437918221 /nfs/dbraw/zinc/91/82/21/437918221.db2.gz SJVLMUYIWDOZOU-NVXWUHKLSA-N 2 2 335.496 0.847 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371306199 437918226 /nfs/dbraw/zinc/91/82/26/437918226.db2.gz SJVLMUYIWDOZOU-NVXWUHKLSA-N 2 2 335.496 0.847 20 30 ECEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000424136609 437891946 /nfs/dbraw/zinc/89/19/46/437891946.db2.gz NWPYAGDFUUFVCB-MRXNPFEDSA-N 2 2 340.431 1.000 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374755647 438228883 /nfs/dbraw/zinc/22/88/83/438228883.db2.gz SZNFHKSDQDMROF-UHFFFAOYSA-N 2 2 334.464 0.425 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374755647 438228888 /nfs/dbraw/zinc/22/88/88/438228888.db2.gz SZNFHKSDQDMROF-UHFFFAOYSA-N 2 2 334.464 0.425 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000578533061 438930654 /nfs/dbraw/zinc/93/06/54/438930654.db2.gz PNUBKUUDXDWFEY-SJORKVTESA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000578533061 438930659 /nfs/dbraw/zinc/93/06/59/438930659.db2.gz PNUBKUUDXDWFEY-SJORKVTESA-N 2 2 333.432 0.734 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC3(C#N)CCOCC3)C2)CC1 ZINC000597215928 439058251 /nfs/dbraw/zinc/05/82/51/439058251.db2.gz PVWXVEBSEAODLY-OAHLLOKOSA-N 2 2 334.464 0.982 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC3(C#N)CCOCC3)C2)CC1 ZINC000597215928 439058254 /nfs/dbraw/zinc/05/82/54/439058254.db2.gz PVWXVEBSEAODLY-OAHLLOKOSA-N 2 2 334.464 0.982 20 30 ECEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149479 439166628 /nfs/dbraw/zinc/16/66/28/439166628.db2.gz PQTUHFIWEYAPAK-YJBOKZPZSA-N 2 2 343.431 0.469 20 30 ECEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149479 439166634 /nfs/dbraw/zinc/16/66/34/439166634.db2.gz PQTUHFIWEYAPAK-YJBOKZPZSA-N 2 2 343.431 0.469 20 30 ECEDLP C[C@@H]1C[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)N1CC#N ZINC000602855757 439144293 /nfs/dbraw/zinc/14/42/93/439144293.db2.gz ILFSRWSDWFSUCY-HUUCEWRRSA-N 2 2 333.480 0.648 20 30 ECEDLP N#CC[C@@]1(O)CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000592150640 439166333 /nfs/dbraw/zinc/16/63/33/439166333.db2.gz FNGFVRVAFPNSSU-QGZVFWFLSA-N 2 2 348.472 0.743 20 30 ECEDLP N#CC[C@@]1(O)CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000592150640 439166337 /nfs/dbraw/zinc/16/63/37/439166337.db2.gz FNGFVRVAFPNSSU-QGZVFWFLSA-N 2 2 348.472 0.743 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2ccc(CC)cc2)CC1 ZINC000490932757 439314387 /nfs/dbraw/zinc/31/43/87/439314387.db2.gz AESIKMNTZRYMLY-SFHVURJKSA-N 2 2 329.444 0.649 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(c3c[nH]nc3C)CC2)CC1 ZINC000491071625 439327736 /nfs/dbraw/zinc/32/77/36/439327736.db2.gz MEUNSIIIXFUYPY-UHFFFAOYSA-N 2 2 329.448 0.675 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000491125758 439335254 /nfs/dbraw/zinc/33/52/54/439335254.db2.gz GTQGHIYDLCBKMA-KGLIPLIRSA-N 2 2 347.381 0.257 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000491125758 439335259 /nfs/dbraw/zinc/33/52/59/439335259.db2.gz GTQGHIYDLCBKMA-KGLIPLIRSA-N 2 2 347.381 0.257 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC(N)=O)Cc2ccccc2)CC1 ZINC000490865293 439305248 /nfs/dbraw/zinc/30/52/48/439305248.db2.gz AGYYBYVMSUUXDI-UHFFFAOYSA-N 2 2 342.443 0.141 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC(N)=O)Cc2ccccc2)CC1 ZINC000490865293 439305255 /nfs/dbraw/zinc/30/52/55/439305255.db2.gz AGYYBYVMSUUXDI-UHFFFAOYSA-N 2 2 342.443 0.141 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(CO)CCCc3ccccc32)CC1 ZINC000491789825 439452179 /nfs/dbraw/zinc/45/21/79/439452179.db2.gz VYDIVGYQFXOGBW-HXUWFJFHSA-N 2 2 341.455 0.578 20 30 ECEDLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439074 439561179 /nfs/dbraw/zinc/56/11/79/439561179.db2.gz NNIQREVFQMKIHP-HZPDHXFCSA-N 2 2 349.479 0.553 20 30 ECEDLP C=CCNC(=O)CN1CC[NH+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000649411297 440492810 /nfs/dbraw/zinc/49/28/10/440492810.db2.gz FGNZQSKNHYLHGZ-QGZVFWFLSA-N 2 2 346.475 0.657 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000649411297 440492816 /nfs/dbraw/zinc/49/28/16/440492816.db2.gz FGNZQSKNHYLHGZ-QGZVFWFLSA-N 2 2 346.475 0.657 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367412234 546182072 /nfs/dbraw/zinc/18/20/72/546182072.db2.gz HJACTQJZKMXDLQ-UHFFFAOYSA-N 2 2 345.447 0.990 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367412234 546182078 /nfs/dbraw/zinc/18/20/78/546182078.db2.gz HJACTQJZKMXDLQ-UHFFFAOYSA-N 2 2 345.447 0.990 20 30 ECEDLP C=CCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675101019 548708553 /nfs/dbraw/zinc/70/85/53/548708553.db2.gz NAHWPYKQSIOPFW-MRXNPFEDSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675101019 548708556 /nfs/dbraw/zinc/70/85/56/548708556.db2.gz NAHWPYKQSIOPFW-MRXNPFEDSA-N 2 2 336.480 0.696 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cn(C)nc2C)CC1 ZINC000759426226 579491010 /nfs/dbraw/zinc/49/10/10/579491010.db2.gz NHCIJWBKLUUDGZ-KRWDZBQOSA-N 2 2 329.448 0.643 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)CC1 ZINC000759426226 579491012 /nfs/dbraw/zinc/49/10/12/579491012.db2.gz NHCIJWBKLUUDGZ-KRWDZBQOSA-N 2 2 329.448 0.643 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000730285954 578304635 /nfs/dbraw/zinc/30/46/35/578304635.db2.gz QEUJKPVQQROGDZ-KRWDZBQOSA-N 2 2 329.448 0.552 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000730285954 578304637 /nfs/dbraw/zinc/30/46/37/578304637.db2.gz QEUJKPVQQROGDZ-KRWDZBQOSA-N 2 2 329.448 0.552 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000730285954 578304638 /nfs/dbraw/zinc/30/46/38/578304638.db2.gz QEUJKPVQQROGDZ-KRWDZBQOSA-N 2 2 329.448 0.552 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC000730285954 578304640 /nfs/dbraw/zinc/30/46/40/578304640.db2.gz QEUJKPVQQROGDZ-KRWDZBQOSA-N 2 2 329.448 0.552 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2[nH+]ccn2CC)CC1 ZINC000732158421 578320512 /nfs/dbraw/zinc/32/05/12/578320512.db2.gz DFPHKWIWYKPHAR-INIZCTEOSA-N 2 2 329.448 0.645 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2[nH+]ccn2CC)CC1 ZINC000732158421 578320513 /nfs/dbraw/zinc/32/05/13/578320513.db2.gz DFPHKWIWYKPHAR-INIZCTEOSA-N 2 2 329.448 0.645 20 30 ECEDLP S=C(NCCC[NH+]1CCOCC1)NN=Cc1cccc2[nH+]ccn21 ZINC000771087411 579184411 /nfs/dbraw/zinc/18/44/11/579184411.db2.gz FBVQVIQYAXLMGM-UHFFFAOYSA-N 2 2 346.460 0.855 20 30 ECEDLP C[C@H]1C[NH+]=C(NN=Cc2ccc(C=NNC3=[NH+]C[C@H](C)N3)cc2)N1 ZINC000779791417 579320841 /nfs/dbraw/zinc/32/08/41/579320841.db2.gz CLYDTRXFIXAJPC-RYUDHWBXSA-N 2 2 326.408 0.229 20 30 ECEDLP C#CCNC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000747834958 579855043 /nfs/dbraw/zinc/85/50/43/579855043.db2.gz USDRRPANFTYNCM-UHFFFAOYSA-N 2 2 344.415 0.239 20 30 ECEDLP COC(=O)Cn1cc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)nn1 ZINC000842036224 589009122 /nfs/dbraw/zinc/00/91/22/589009122.db2.gz JGAKHRAVBVYBCV-UHFFFAOYSA-N 2 2 346.391 0.350 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901727680 586714337 /nfs/dbraw/zinc/71/43/37/586714337.db2.gz HUZIETBQHZOSFC-VHSXEESVSA-N 2 2 325.210 0.688 20 30 ECEDLP CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905447141 586892235 /nfs/dbraw/zinc/89/22/35/586892235.db2.gz OTJODJFCSGQIAI-IAGOWNOFSA-N 2 2 338.496 0.673 20 30 ECEDLP c1cn(CCCNN=C2CC[NH+](CCN3CCOCC3)CC2)c[nH+]1 ZINC000848419053 589292993 /nfs/dbraw/zinc/29/29/93/589292993.db2.gz XUHNDTPOLDVUAJ-UHFFFAOYSA-N 2 2 334.468 0.647 20 30 ECEDLP O=C(C#CC1CC[NH2+]CC1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000852857937 589518762 /nfs/dbraw/zinc/51/87/62/589518762.db2.gz KMOMLYJNLSPQSX-UHFFFAOYSA-N 2 2 328.416 0.537 20 30 ECEDLP C#CCNC(=O)CC[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000853126432 589532845 /nfs/dbraw/zinc/53/28/45/589532845.db2.gz LPZQGRHYEABWGX-SFHVURJKSA-N 2 2 328.460 0.532 20 30 ECEDLP C#CCNC(=O)CC[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000853126432 589532846 /nfs/dbraw/zinc/53/28/46/589532846.db2.gz LPZQGRHYEABWGX-SFHVURJKSA-N 2 2 328.460 0.532 20 30 ECEDLP C[NH+]=C(NCC(=O)NC(C)C)N1CC[NH+](Cc2cccs2)CC1 ZINC000115182932 589696332 /nfs/dbraw/zinc/69/63/32/589696332.db2.gz JRMHMLIPSQQHGN-UHFFFAOYSA-N 2 2 337.493 0.966 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000871786348 590087321 /nfs/dbraw/zinc/08/73/21/590087321.db2.gz YYUWWCCWLFMMBU-MQVJKMGUSA-N 3 2 347.463 0.135 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000871786348 590087322 /nfs/dbraw/zinc/08/73/22/590087322.db2.gz YYUWWCCWLFMMBU-MQVJKMGUSA-N 3 2 347.463 0.135 20 30 ECEDLP C[C@H]1C[NH+]=C(NN=Cc2ccc(OCC[NH+]3CCOCC3)cc2)N1 ZINC000872364650 590115490 /nfs/dbraw/zinc/11/54/90/590115490.db2.gz QCAHDGLCZQJMCT-AWEZNQCLSA-N 2 2 331.420 0.669 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CCC(=O)OC)C2)CC1 ZINC000880039303 590363268 /nfs/dbraw/zinc/36/32/68/590363268.db2.gz IOYUBSGDWHVVLN-INIZCTEOSA-N 2 2 335.448 0.429 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCC(=O)OC)C2)CC1 ZINC000880039303 590363270 /nfs/dbraw/zinc/36/32/70/590363270.db2.gz IOYUBSGDWHVVLN-INIZCTEOSA-N 2 2 335.448 0.429 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262090 590380422 /nfs/dbraw/zinc/38/04/22/590380422.db2.gz SVRCHIMVPMFLIX-KGLIPLIRSA-N 2 2 331.420 0.992 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262090 590380426 /nfs/dbraw/zinc/38/04/26/590380426.db2.gz SVRCHIMVPMFLIX-KGLIPLIRSA-N 2 2 331.420 0.992 20 30 ECEDLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)n1C ZINC000876762164 590411950 /nfs/dbraw/zinc/41/19/50/590411950.db2.gz AQHBJXYIJMKYLP-MRXNPFEDSA-N 2 2 338.415 0.861 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000884188416 590767519 /nfs/dbraw/zinc/76/75/19/590767519.db2.gz HLSGTPMOLGFUHI-QWHCGFSZSA-N 2 2 325.434 0.914 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000884319395 590803468 /nfs/dbraw/zinc/80/34/68/590803468.db2.gz UKBGDUKDHYCQEP-AWEZNQCLSA-N 2 2 341.452 0.250 20 30 ECEDLP CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000949526279 608738756 /nfs/dbraw/zinc/73/87/56/608738756.db2.gz MKHBXACANKUZQY-UHFFFAOYSA-N 2 2 330.432 0.908 20 30 ECEDLP CC#CC[N@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000949526279 608738758 /nfs/dbraw/zinc/73/87/58/608738758.db2.gz MKHBXACANKUZQY-UHFFFAOYSA-N 2 2 330.432 0.908 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NCCCCN2CC[NH+](CC)CC2)CC1 ZINC000914100681 609852970 /nfs/dbraw/zinc/85/29/70/609852970.db2.gz KVXGAHKKVGPYLC-UHFFFAOYSA-N 2 2 349.523 0.801 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941502369 610345526 /nfs/dbraw/zinc/34/55/26/610345526.db2.gz RTIPIUNFTGFQES-IBGZPJMESA-N 2 2 344.503 0.713 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCN(C3C[NH+](CC#CC)C3)CC2)CC1 ZINC000941677422 610450389 /nfs/dbraw/zinc/45/03/89/610450389.db2.gz QJVJHRMKZMJIRL-UHFFFAOYSA-N 2 2 342.487 0.183 20 30 ECEDLP COCC[NH2+]C1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000923386292 611236580 /nfs/dbraw/zinc/23/65/80/611236580.db2.gz ADUMSPUBIGSGCP-QGZVFWFLSA-N 2 2 333.432 0.998 20 30 ECEDLP N#Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000923400791 611238458 /nfs/dbraw/zinc/23/84/58/611238458.db2.gz YVMLKVOZBOKQAL-QGZVFWFLSA-N 2 2 343.431 0.234 20 30 ECEDLP COCC#CC[NH2+]CCCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001167508389 735523486 /nfs/dbraw/zinc/52/34/86/735523486.db2.gz GRTWALXDNVXDQF-UHFFFAOYSA-N 2 2 337.464 0.377 20 30 ECEDLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000969439584 731879462 /nfs/dbraw/zinc/87/94/62/731879462.db2.gz BXQFRVMRJDMZER-RDTXWAMCSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000969439584 731879465 /nfs/dbraw/zinc/87/94/65/731879465.db2.gz BXQFRVMRJDMZER-RDTXWAMCSA-N 2 2 342.443 0.825 20 30 ECEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193780 732624337 /nfs/dbraw/zinc/62/43/37/732624337.db2.gz IABKCDQQAVXPQA-DAYGRLMNSA-N 2 2 337.439 0.744 20 30 ECEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193780 732624341 /nfs/dbraw/zinc/62/43/41/732624341.db2.gz IABKCDQQAVXPQA-DAYGRLMNSA-N 2 2 337.439 0.744 20 30 ECEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193780 732624342 /nfs/dbraw/zinc/62/43/42/732624342.db2.gz IABKCDQQAVXPQA-DAYGRLMNSA-N 2 2 337.439 0.744 20 30 ECEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193780 732624345 /nfs/dbraw/zinc/62/43/45/732624345.db2.gz IABKCDQQAVXPQA-DAYGRLMNSA-N 2 2 337.439 0.744 20 30 ECEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083194096 732653906 /nfs/dbraw/zinc/65/39/06/732653906.db2.gz WAJIGGWVKREQJS-BPQIPLTHSA-N 2 2 342.443 0.689 20 30 ECEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083194096 732653908 /nfs/dbraw/zinc/65/39/08/732653908.db2.gz WAJIGGWVKREQJS-BPQIPLTHSA-N 2 2 342.443 0.689 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380115 736048381 /nfs/dbraw/zinc/04/83/81/736048381.db2.gz DVPCBQVALFAGCW-PKOBYXMFSA-N 2 2 331.460 0.655 20 30 ECEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380115 736048383 /nfs/dbraw/zinc/04/83/83/736048383.db2.gz DVPCBQVALFAGCW-PKOBYXMFSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000972479822 736301694 /nfs/dbraw/zinc/30/16/94/736301694.db2.gz CWNSWSWPLZHOFZ-IEBWSBKVSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000972479822 736301697 /nfs/dbraw/zinc/30/16/97/736301697.db2.gz CWNSWSWPLZHOFZ-IEBWSBKVSA-N 2 2 331.460 0.797 20 30 ECEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001104468222 736489797 /nfs/dbraw/zinc/48/97/97/736489797.db2.gz PQJJLTOHHGYIJM-IAGOWNOFSA-N 2 2 332.448 0.997 20 30 ECEDLP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972517009 736527351 /nfs/dbraw/zinc/52/73/51/736527351.db2.gz CDGUEAYBXADWJK-IEBWSBKVSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972517009 736527353 /nfs/dbraw/zinc/52/73/53/736527353.db2.gz CDGUEAYBXADWJK-IEBWSBKVSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972517009 736527355 /nfs/dbraw/zinc/52/73/55/736527355.db2.gz CDGUEAYBXADWJK-IEBWSBKVSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972520760 736550085 /nfs/dbraw/zinc/55/00/85/736550085.db2.gz SXAQLSJPSPKEHV-HKUYNNGSSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972520760 736550087 /nfs/dbraw/zinc/55/00/87/736550087.db2.gz SXAQLSJPSPKEHV-HKUYNNGSSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972520760 736550089 /nfs/dbraw/zinc/55/00/89/736550089.db2.gz SXAQLSJPSPKEHV-HKUYNNGSSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972520760 736550092 /nfs/dbraw/zinc/55/00/92/736550092.db2.gz SXAQLSJPSPKEHV-HKUYNNGSSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001023510305 736941066 /nfs/dbraw/zinc/94/10/66/736941066.db2.gz HOPMICBYFCRPFC-MSOLQXFVSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001023510305 736941068 /nfs/dbraw/zinc/94/10/68/736941068.db2.gz HOPMICBYFCRPFC-MSOLQXFVSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001023510305 736941071 /nfs/dbraw/zinc/94/10/71/736941071.db2.gz HOPMICBYFCRPFC-MSOLQXFVSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001023510305 736941074 /nfs/dbraw/zinc/94/10/74/736941074.db2.gz HOPMICBYFCRPFC-MSOLQXFVSA-N 2 2 333.476 0.949 20 30 ECEDLP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972598642 737049034 /nfs/dbraw/zinc/04/90/34/737049034.db2.gz HKFKYYHAPRGOFS-SFHVURJKSA-N 2 2 337.464 0.588 20 30 ECEDLP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000972598642 737049037 /nfs/dbraw/zinc/04/90/37/737049037.db2.gz HKFKYYHAPRGOFS-SFHVURJKSA-N 2 2 337.464 0.588 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000973363815 739144326 /nfs/dbraw/zinc/14/43/26/739144326.db2.gz DENRGHFMZXHFJD-SHTZXODSSA-N 2 2 343.431 0.061 20 30 ECEDLP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001167733045 740552123 /nfs/dbraw/zinc/55/21/23/740552123.db2.gz SRBXVLIWUGGKFU-UHFFFAOYSA-N 2 2 333.436 0.141 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001167742622 741259583 /nfs/dbraw/zinc/25/95/83/741259583.db2.gz QMGMETIOEHOBRJ-AWEZNQCLSA-N 2 2 347.463 0.529 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C34CCC[NH+]3CCC4)C2)nn1 ZINC001105276860 741627304 /nfs/dbraw/zinc/62/73/04/741627304.db2.gz VDGSLBNSHOWSIA-UHFFFAOYSA-N 2 2 328.420 0.013 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)nn1 ZINC001105292308 741656190 /nfs/dbraw/zinc/65/61/90/741656190.db2.gz JHLZGAVLPDFMAR-QGZVFWFLSA-N 2 2 342.447 0.259 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001027170465 742961916 /nfs/dbraw/zinc/96/19/16/742961916.db2.gz KKCNMRDFVGMALI-GDBMZVCRSA-N 2 2 345.447 0.188 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001027245301 743278031 /nfs/dbraw/zinc/27/80/31/743278031.db2.gz QUJITWJVVXYUIU-GJZGRUSLSA-N 2 2 331.420 0.108 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167985389 745107881 /nfs/dbraw/zinc/10/78/81/745107881.db2.gz GNLVATJZHAXOHK-CQSZACIVSA-N 2 2 348.451 0.446 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167985389 745107885 /nfs/dbraw/zinc/10/78/85/745107885.db2.gz GNLVATJZHAXOHK-CQSZACIVSA-N 2 2 348.451 0.446 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csnn2)C1 ZINC000983907700 745490000 /nfs/dbraw/zinc/49/00/00/745490000.db2.gz ZOIANIDQXIVKIC-YDHLFZDLSA-N 2 2 333.461 0.620 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csnn2)C1 ZINC000983907700 745490004 /nfs/dbraw/zinc/49/00/04/745490004.db2.gz ZOIANIDQXIVKIC-YDHLFZDLSA-N 2 2 333.461 0.620 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3coc(C)n3)C[C@H]21 ZINC000978280575 746143150 /nfs/dbraw/zinc/14/31/50/746143150.db2.gz JNHXFZIDKPHPNI-FJIDUMEYSA-N 2 2 342.443 0.875 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]21 ZINC000978280575 746143153 /nfs/dbraw/zinc/14/31/53/746143153.db2.gz JNHXFZIDKPHPNI-FJIDUMEYSA-N 2 2 342.443 0.875 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3coc(C)n3)C[C@H]21 ZINC000978280575 746143155 /nfs/dbraw/zinc/14/31/55/746143155.db2.gz JNHXFZIDKPHPNI-FJIDUMEYSA-N 2 2 342.443 0.875 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3coc(C)n3)C[C@H]21 ZINC000978280575 746143157 /nfs/dbraw/zinc/14/31/57/746143157.db2.gz JNHXFZIDKPHPNI-FJIDUMEYSA-N 2 2 342.443 0.875 20 30 ECEDLP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC000978361406 746243482 /nfs/dbraw/zinc/24/34/82/746243482.db2.gz WAXDGPJQYYVJOV-ARILJUKYSA-N 2 2 327.856 0.752 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978625322 746520460 /nfs/dbraw/zinc/52/04/60/746520460.db2.gz AWPDCFYFWODOGD-AKHDSKFASA-N 2 2 345.487 0.947 20 30 ECEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978625322 746520462 /nfs/dbraw/zinc/52/04/62/746520462.db2.gz AWPDCFYFWODOGD-AKHDSKFASA-N 2 2 345.487 0.947 20 30 ECEDLP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978625322 746520464 /nfs/dbraw/zinc/52/04/64/746520464.db2.gz AWPDCFYFWODOGD-AKHDSKFASA-N 2 2 345.487 0.947 20 30 ECEDLP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978625322 746520466 /nfs/dbraw/zinc/52/04/66/746520466.db2.gz AWPDCFYFWODOGD-AKHDSKFASA-N 2 2 345.487 0.947 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)nn1 ZINC001105342381 747568252 /nfs/dbraw/zinc/56/82/52/747568252.db2.gz AGJSTCNXDSYEGH-NVXWUHKLSA-N 2 2 342.447 0.401 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)nn1 ZINC001105342381 747568256 /nfs/dbraw/zinc/56/82/56/747568256.db2.gz AGJSTCNXDSYEGH-NVXWUHKLSA-N 2 2 342.447 0.401 20 30 ECEDLP C#CC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001088230875 747784210 /nfs/dbraw/zinc/78/42/10/747784210.db2.gz BKTIHPOLTVJPGS-QZTJIDSGSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001088230875 747784216 /nfs/dbraw/zinc/78/42/16/747784216.db2.gz BKTIHPOLTVJPGS-QZTJIDSGSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001088230875 747784221 /nfs/dbraw/zinc/78/42/21/747784221.db2.gz BKTIHPOLTVJPGS-QZTJIDSGSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001088230875 747784225 /nfs/dbraw/zinc/78/42/25/747784225.db2.gz BKTIHPOLTVJPGS-QZTJIDSGSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001098728935 748743292 /nfs/dbraw/zinc/74/32/92/748743292.db2.gz WTEBBYMLHXBTFY-HOCLYGCPSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001098728935 748743297 /nfs/dbraw/zinc/74/32/97/748743297.db2.gz WTEBBYMLHXBTFY-HOCLYGCPSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)nn1 ZINC001105345526 748895834 /nfs/dbraw/zinc/89/58/34/748895834.db2.gz FNBHJEQJBCMSLY-QGZVFWFLSA-N 2 2 346.479 0.751 20 30 ECEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262808624 749835706 /nfs/dbraw/zinc/83/57/06/749835706.db2.gz UHKRYXXYBZYVTO-CYBMUJFWSA-N 2 2 327.498 0.211 20 30 ECEDLP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001105349418 750435923 /nfs/dbraw/zinc/43/59/23/750435923.db2.gz JADIXADDTJMZGP-UHFFFAOYSA-N 2 2 329.408 0.683 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnsn3)[C@H]2C)CC1 ZINC000987571098 750972759 /nfs/dbraw/zinc/97/27/59/750972759.db2.gz OIJPGOXXZALRBQ-CJNGLKHVSA-N 2 2 347.488 0.962 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnsn3)[C@@H]2C)CC1 ZINC000987571096 750972922 /nfs/dbraw/zinc/97/29/22/750972922.db2.gz OIJPGOXXZALRBQ-BBRMVZONSA-N 2 2 347.488 0.962 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nonc3C)C[C@H]2C)CC1 ZINC000989828713 754497723 /nfs/dbraw/zinc/49/77/23/754497723.db2.gz HXGDOGBVAUARDH-CZUORRHYSA-N 2 2 345.447 0.802 20 30 ECEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@H]2C(C)C)C[C@H]1O ZINC001105673790 755805322 /nfs/dbraw/zinc/80/53/22/755805322.db2.gz PCJIMKNGJMKXHT-ZAWLATJESA-N 2 2 344.459 0.873 20 30 ECEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076811251 757252225 /nfs/dbraw/zinc/25/22/25/757252225.db2.gz HBNUMYXOMZJDEZ-BRWVUGGUSA-N 2 2 328.416 0.314 20 30 ECEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076811251 757252233 /nfs/dbraw/zinc/25/22/33/757252233.db2.gz HBNUMYXOMZJDEZ-BRWVUGGUSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076811251 757252240 /nfs/dbraw/zinc/25/22/40/757252240.db2.gz HBNUMYXOMZJDEZ-BRWVUGGUSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001076811251 757252249 /nfs/dbraw/zinc/25/22/49/757252249.db2.gz HBNUMYXOMZJDEZ-BRWVUGGUSA-N 2 2 328.416 0.314 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]3C2)C1=O ZINC001049247690 758428817 /nfs/dbraw/zinc/42/88/17/758428817.db2.gz DBGIKCHVBSPALW-XHSDSOJGSA-N 2 2 343.431 0.060 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]3C2)C1=O ZINC001049247690 758428821 /nfs/dbraw/zinc/42/88/21/758428821.db2.gz DBGIKCHVBSPALW-XHSDSOJGSA-N 2 2 343.431 0.060 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C)n2CC)C1 ZINC001022220448 758439112 /nfs/dbraw/zinc/43/91/12/758439112.db2.gz DPMQUUOSIXFEMB-XHSDSOJGSA-N 2 2 344.463 0.441 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C)n2CC)C1 ZINC001022220448 758439121 /nfs/dbraw/zinc/43/91/21/758439121.db2.gz DPMQUUOSIXFEMB-XHSDSOJGSA-N 2 2 344.463 0.441 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)N(C)C ZINC001049528070 758865418 /nfs/dbraw/zinc/86/54/18/758865418.db2.gz BQYWBMHBXMCVQQ-IKGGRYGDSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=O)N(C)C ZINC001049528070 758865423 /nfs/dbraw/zinc/86/54/23/758865423.db2.gz BQYWBMHBXMCVQQ-IKGGRYGDSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(=O)N(C)C ZINC001049528070 758865430 /nfs/dbraw/zinc/86/54/30/758865430.db2.gz BQYWBMHBXMCVQQ-IKGGRYGDSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(=O)N(C)C ZINC001049528070 758865439 /nfs/dbraw/zinc/86/54/39/758865439.db2.gz BQYWBMHBXMCVQQ-IKGGRYGDSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)cc2C1 ZINC001054292815 767901164 /nfs/dbraw/zinc/90/11/64/767901164.db2.gz VESBOWOWMWFNCH-SFHVURJKSA-N 2 2 327.428 0.972 20 30 ECEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)cc2C1 ZINC001054292815 767901168 /nfs/dbraw/zinc/90/11/68/767901168.db2.gz VESBOWOWMWFNCH-SFHVURJKSA-N 2 2 327.428 0.972 20 30 ECEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](CC)CCO3)cc2C1 ZINC001054292815 767901173 /nfs/dbraw/zinc/90/11/73/767901173.db2.gz VESBOWOWMWFNCH-SFHVURJKSA-N 2 2 327.428 0.972 20 30 ECEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[NH+](CC)CCO3)cc2C1 ZINC001054292815 767901177 /nfs/dbraw/zinc/90/11/77/767901177.db2.gz VESBOWOWMWFNCH-SFHVURJKSA-N 2 2 327.428 0.972 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001050237081 760023921 /nfs/dbraw/zinc/02/39/21/760023921.db2.gz TYTHNXNSHHCTGX-CABCVRRESA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001030033322 761276007 /nfs/dbraw/zinc/27/60/07/761276007.db2.gz XEZBAULDNUGEOP-YESZJQIVSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001030033322 761276013 /nfs/dbraw/zinc/27/60/13/761276013.db2.gz XEZBAULDNUGEOP-YESZJQIVSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)C1=O ZINC001030033322 761276017 /nfs/dbraw/zinc/27/60/17/761276017.db2.gz XEZBAULDNUGEOP-YESZJQIVSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)C1=O ZINC001030033322 761276022 /nfs/dbraw/zinc/27/60/22/761276022.db2.gz XEZBAULDNUGEOP-YESZJQIVSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001051082267 761456462 /nfs/dbraw/zinc/45/64/62/761456462.db2.gz XEHBAFKBAIHJOB-CVEARBPZSA-N 2 2 325.453 0.489 20 30 ECEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082267 761456464 /nfs/dbraw/zinc/45/64/64/761456464.db2.gz XEHBAFKBAIHJOB-CVEARBPZSA-N 2 2 325.453 0.489 20 30 ECEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001051082267 761456469 /nfs/dbraw/zinc/45/64/69/761456469.db2.gz XEHBAFKBAIHJOB-CVEARBPZSA-N 2 2 325.453 0.489 20 30 ECEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001051082267 761456472 /nfs/dbraw/zinc/45/64/72/761456472.db2.gz XEHBAFKBAIHJOB-CVEARBPZSA-N 2 2 325.453 0.489 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2CCCF)CC1 ZINC001051254849 761775690 /nfs/dbraw/zinc/77/56/90/761775690.db2.gz MMVYTJIXWJNUIA-MRXNPFEDSA-N 2 2 325.428 0.508 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2CCCF)CC1 ZINC001051254849 761775692 /nfs/dbraw/zinc/77/56/92/761775692.db2.gz MMVYTJIXWJNUIA-MRXNPFEDSA-N 2 2 325.428 0.508 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001098784147 768108150 /nfs/dbraw/zinc/10/81/50/768108150.db2.gz AGGBBIUTVPDVSW-INIZCTEOSA-N 2 2 332.452 0.505 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052031458 763632371 /nfs/dbraw/zinc/63/23/71/763632371.db2.gz OMLHMAOECAQLEM-FGTMMUONSA-N 2 2 332.492 0.568 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052031458 763632375 /nfs/dbraw/zinc/63/23/75/763632375.db2.gz OMLHMAOECAQLEM-FGTMMUONSA-N 2 2 332.492 0.568 20 30 ECEDLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052048531 763696242 /nfs/dbraw/zinc/69/62/42/763696242.db2.gz WXQCGSNHGBHNDK-MSOLQXFVSA-N 2 2 347.507 0.849 20 30 ECEDLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052048531 763696249 /nfs/dbraw/zinc/69/62/49/763696249.db2.gz WXQCGSNHGBHNDK-MSOLQXFVSA-N 2 2 347.507 0.849 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001052068657 763763558 /nfs/dbraw/zinc/76/35/58/763763558.db2.gz MBAUWIQWTDMABE-MOPGFXCFSA-N 2 2 346.519 0.960 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001052068657 763763564 /nfs/dbraw/zinc/76/35/64/763763564.db2.gz MBAUWIQWTDMABE-MOPGFXCFSA-N 2 2 346.519 0.960 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052107557 763886893 /nfs/dbraw/zinc/88/68/93/763886893.db2.gz FOICJRYJJQCSOU-QGZVFWFLSA-N 2 2 330.476 0.324 20 30 ECEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001047388108 764186053 /nfs/dbraw/zinc/18/60/53/764186053.db2.gz DCDWGYOMUPHKMA-IKGGRYGDSA-N 2 2 345.447 0.317 20 30 ECEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001047388108 764186060 /nfs/dbraw/zinc/18/60/60/764186060.db2.gz DCDWGYOMUPHKMA-IKGGRYGDSA-N 2 2 345.447 0.317 20 30 ECEDLP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001047388108 764186064 /nfs/dbraw/zinc/18/60/64/764186064.db2.gz DCDWGYOMUPHKMA-IKGGRYGDSA-N 2 2 345.447 0.317 20 30 ECEDLP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001047388108 764186072 /nfs/dbraw/zinc/18/60/72/764186072.db2.gz DCDWGYOMUPHKMA-IKGGRYGDSA-N 2 2 345.447 0.317 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106068997 764297762 /nfs/dbraw/zinc/29/77/62/764297762.db2.gz URJRGLSHRPMLMY-RBSFLKMASA-N 2 2 347.463 0.717 20 30 ECEDLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083778602 764302389 /nfs/dbraw/zinc/30/23/89/764302389.db2.gz RDEWFYXTZJHBPA-QGTPRVQTSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083778602 764302394 /nfs/dbraw/zinc/30/23/94/764302394.db2.gz RDEWFYXTZJHBPA-QGTPRVQTSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083778602 764302396 /nfs/dbraw/zinc/30/23/96/764302396.db2.gz RDEWFYXTZJHBPA-QGTPRVQTSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083778602 764302400 /nfs/dbraw/zinc/30/24/00/764302400.db2.gz RDEWFYXTZJHBPA-QGTPRVQTSA-N 2 2 342.443 0.704 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098766843 764571750 /nfs/dbraw/zinc/57/17/50/764571750.db2.gz HGZVBEPZUUCJBC-HOCLYGCPSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098766843 764571762 /nfs/dbraw/zinc/57/17/62/764571762.db2.gz HGZVBEPZUUCJBC-HOCLYGCPSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC001098773591 764907864 /nfs/dbraw/zinc/90/78/64/764907864.db2.gz GJHCQRWKWFEPTK-HNNXBMFYSA-N 2 2 341.419 0.439 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263773 765864988 /nfs/dbraw/zinc/86/49/88/765864988.db2.gz YKJXZFLRRZPZQL-CVEARBPZSA-N 2 2 335.448 0.339 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCO2 ZINC001053263773 765864996 /nfs/dbraw/zinc/86/49/96/765864996.db2.gz YKJXZFLRRZPZQL-CVEARBPZSA-N 2 2 335.448 0.339 20 30 ECEDLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304916 766080649 /nfs/dbraw/zinc/08/06/49/766080649.db2.gz ISODZJDOLVWICE-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304916 766080654 /nfs/dbraw/zinc/08/06/54/766080654.db2.gz ISODZJDOLVWICE-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304916 766080658 /nfs/dbraw/zinc/08/06/58/766080658.db2.gz ISODZJDOLVWICE-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304916 766080664 /nfs/dbraw/zinc/08/06/64/766080664.db2.gz ISODZJDOLVWICE-MSOLQXFVSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC001016335882 766141516 /nfs/dbraw/zinc/14/15/16/766141516.db2.gz HAGUDASCKDSJEU-MRXNPFEDSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccnn3C)C2)CC1 ZINC001016335882 766141519 /nfs/dbraw/zinc/14/15/19/766141519.db2.gz HAGUDASCKDSJEU-MRXNPFEDSA-N 2 2 329.448 0.456 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)O2 ZINC001053585745 766376405 /nfs/dbraw/zinc/37/64/05/766376405.db2.gz KIFWPNCZFBBITM-HZPDHXFCSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)O2 ZINC001053585745 766376418 /nfs/dbraw/zinc/37/64/18/766376418.db2.gz KIFWPNCZFBBITM-HZPDHXFCSA-N 2 2 337.464 0.633 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)O2 ZINC001053638992 766495132 /nfs/dbraw/zinc/49/51/32/766495132.db2.gz FTUWOQHKSMVHSZ-LPMVOBIJSA-N 2 2 347.459 0.385 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)O2 ZINC001053638992 766495139 /nfs/dbraw/zinc/49/51/39/766495139.db2.gz FTUWOQHKSMVHSZ-LPMVOBIJSA-N 2 2 347.459 0.385 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)O2 ZINC001053675458 766558369 /nfs/dbraw/zinc/55/83/69/766558369.db2.gz NTTUDKRMXPMCDW-INIZCTEOSA-N 2 2 347.463 0.594 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046041016 766749231 /nfs/dbraw/zinc/74/92/31/766749231.db2.gz NEGATEYPUSVABP-WMZOPIPTSA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046041016 766749235 /nfs/dbraw/zinc/74/92/35/766749235.db2.gz NEGATEYPUSVABP-WMZOPIPTSA-N 2 2 343.475 0.850 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C2CC2)CC1 ZINC001055488157 768923008 /nfs/dbraw/zinc/92/30/08/768923008.db2.gz ODZWQERTGRQZMM-KRWDZBQOSA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)C2CC2)CC1 ZINC001055488157 768923014 /nfs/dbraw/zinc/92/30/14/768923014.db2.gz ODZWQERTGRQZMM-KRWDZBQOSA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2C(C)C)C1 ZINC001018985895 770483976 /nfs/dbraw/zinc/48/39/76/770483976.db2.gz LBLYKEAKMLYZJV-HOTGVXAUSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2C(C)C)C1 ZINC001018985895 770483981 /nfs/dbraw/zinc/48/39/81/770483981.db2.gz LBLYKEAKMLYZJV-HOTGVXAUSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001018985796 770484036 /nfs/dbraw/zinc/48/40/36/770484036.db2.gz GFJWRLLVKVRUKS-QEJZJMRPSA-N 2 2 330.436 0.462 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001018985796 770484040 /nfs/dbraw/zinc/48/40/40/770484040.db2.gz GFJWRLLVKVRUKS-QEJZJMRPSA-N 2 2 330.436 0.462 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001020250735 772351812 /nfs/dbraw/zinc/35/18/12/772351812.db2.gz NXAYSLBVGZDFGA-DZKIICNBSA-N 2 2 330.436 0.132 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001020250735 772351816 /nfs/dbraw/zinc/35/18/16/772351816.db2.gz NXAYSLBVGZDFGA-DZKIICNBSA-N 2 2 330.436 0.132 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001020250830 772352400 /nfs/dbraw/zinc/35/24/00/772352400.db2.gz TWTVCEJAVVYIOC-KKUMJFAQSA-N 2 2 342.447 0.517 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001020250830 772352403 /nfs/dbraw/zinc/35/24/03/772352403.db2.gz TWTVCEJAVVYIOC-KKUMJFAQSA-N 2 2 342.447 0.517 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCc3cnn(C)c3)C2)CC1 ZINC001044335578 776178672 /nfs/dbraw/zinc/17/86/72/776178672.db2.gz KDNCOMMNFCMNAQ-UHFFFAOYSA-N 2 2 343.475 0.450 20 30 ECEDLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077676965 781484921 /nfs/dbraw/zinc/48/49/21/781484921.db2.gz RDEWFYXTZJHBPA-BMGDILEWSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077676965 781484924 /nfs/dbraw/zinc/48/49/24/781484924.db2.gz RDEWFYXTZJHBPA-BMGDILEWSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077676965 781484929 /nfs/dbraw/zinc/48/49/29/781484929.db2.gz RDEWFYXTZJHBPA-BMGDILEWSA-N 2 2 342.443 0.704 20 30 ECEDLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077676965 781484935 /nfs/dbraw/zinc/48/49/35/781484935.db2.gz RDEWFYXTZJHBPA-BMGDILEWSA-N 2 2 342.443 0.704 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1n1ccnn1 ZINC001070216343 783676423 /nfs/dbraw/zinc/67/64/23/783676423.db2.gz NECDHOKFSRGWCL-CABCVRRESA-N 2 2 341.419 0.193 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001070220923 783687431 /nfs/dbraw/zinc/68/74/31/783687431.db2.gz SXLMVDQUPAKIMR-ZNMIVQPWSA-N 2 2 341.419 0.265 20 30 ECEDLP C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2c1nnc(C)[nH]1 ZINC001070446280 784100716 /nfs/dbraw/zinc/10/07/16/784100716.db2.gz YEIZOJDTOREZHP-LSDHHAIUSA-N 2 2 346.479 0.867 20 30 ECEDLP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001071015839 784423966 /nfs/dbraw/zinc/42/39/66/784423966.db2.gz WOLZTJRVKLMBDE-UHFFFAOYSA-N 2 2 347.463 0.579 20 30 ECEDLP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001071015839 784423969 /nfs/dbraw/zinc/42/39/69/784423969.db2.gz WOLZTJRVKLMBDE-UHFFFAOYSA-N 2 2 347.463 0.579 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001071023025 784448409 /nfs/dbraw/zinc/44/84/09/784448409.db2.gz MDCLMOGVEZBLQD-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001071023025 784448410 /nfs/dbraw/zinc/44/84/10/784448410.db2.gz MDCLMOGVEZBLQD-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001071023025 784448412 /nfs/dbraw/zinc/44/84/12/784448412.db2.gz MDCLMOGVEZBLQD-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001071023025 784448413 /nfs/dbraw/zinc/44/84/13/784448413.db2.gz MDCLMOGVEZBLQD-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071192770 784705785 /nfs/dbraw/zinc/70/57/85/784705785.db2.gz RKPMAHQESUYAQO-AEFFLSMTSA-N 2 2 330.432 0.907 20 30 ECEDLP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071192770 784705790 /nfs/dbraw/zinc/70/57/90/784705790.db2.gz RKPMAHQESUYAQO-AEFFLSMTSA-N 2 2 330.432 0.907 20 30 ECEDLP C=CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C(=O)C1 ZINC001071258267 784861779 /nfs/dbraw/zinc/86/17/79/784861779.db2.gz BTBGVWOFDFIGJB-IRXDYDNUSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258267 784861785 /nfs/dbraw/zinc/86/17/85/784861785.db2.gz BTBGVWOFDFIGJB-IRXDYDNUSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258267 784861791 /nfs/dbraw/zinc/86/17/91/784861791.db2.gz BTBGVWOFDFIGJB-IRXDYDNUSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258267 784861795 /nfs/dbraw/zinc/86/17/95/784861795.db2.gz BTBGVWOFDFIGJB-IRXDYDNUSA-N 2 2 348.491 0.792 20 30 ECEDLP C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C(=O)C1 ZINC001071267610 784893259 /nfs/dbraw/zinc/89/32/59/784893259.db2.gz MLYRUEODBVJTIB-DLBZAZTESA-N 2 2 348.491 0.485 20 30 ECEDLP C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C(=O)C1 ZINC001071267610 784893266 /nfs/dbraw/zinc/89/32/66/784893266.db2.gz MLYRUEODBVJTIB-DLBZAZTESA-N 2 2 348.491 0.485 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001073859353 787377496 /nfs/dbraw/zinc/37/74/96/787377496.db2.gz IBUZCNXTFZLGGF-OAHLLOKOSA-N 2 2 330.432 0.992 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001073859353 787377502 /nfs/dbraw/zinc/37/75/02/787377502.db2.gz IBUZCNXTFZLGGF-OAHLLOKOSA-N 2 2 330.432 0.992 20 30 ECEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959411 790241732 /nfs/dbraw/zinc/24/17/32/790241732.db2.gz UNTVHRCSVWEGEJ-PMPSAXMXSA-N 2 2 332.452 0.680 20 30 ECEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069959411 790241735 /nfs/dbraw/zinc/24/17/35/790241735.db2.gz UNTVHRCSVWEGEJ-PMPSAXMXSA-N 2 2 332.452 0.680 20 30 ECEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069959411 790241739 /nfs/dbraw/zinc/24/17/39/790241739.db2.gz UNTVHRCSVWEGEJ-PMPSAXMXSA-N 2 2 332.452 0.680 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069959411 790241742 /nfs/dbraw/zinc/24/17/42/790241742.db2.gz UNTVHRCSVWEGEJ-PMPSAXMXSA-N 2 2 332.452 0.680 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1=O ZINC001267430037 837409633 /nfs/dbraw/zinc/40/96/33/837409633.db2.gz PWWKVNQOOYEPHC-RBSFLKMASA-N 2 2 345.447 0.359 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#CCOC)CC1 ZINC001267437355 837415721 /nfs/dbraw/zinc/41/57/21/837415721.db2.gz WARVDULDZBRGBP-KDURUIRLSA-N 2 2 343.471 0.657 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#CCOC)CC1 ZINC001267437355 837415725 /nfs/dbraw/zinc/41/57/25/837415725.db2.gz WARVDULDZBRGBP-KDURUIRLSA-N 2 2 343.471 0.657 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267544133 837732691 /nfs/dbraw/zinc/73/26/91/837732691.db2.gz JEBQDGJTRAWSQF-DLBZAZTESA-N 2 2 344.459 0.924 20 30 ECEDLP COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267544133 837732703 /nfs/dbraw/zinc/73/27/03/837732703.db2.gz JEBQDGJTRAWSQF-DLBZAZTESA-N 2 2 344.459 0.924 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267566798 837786595 /nfs/dbraw/zinc/78/65/95/837786595.db2.gz HMCRHABTRSWYGE-CABCVRRESA-N 2 2 345.447 0.227 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267566798 837786602 /nfs/dbraw/zinc/78/66/02/837786602.db2.gz HMCRHABTRSWYGE-CABCVRRESA-N 2 2 345.447 0.227 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266345726 835735860 /nfs/dbraw/zinc/73/58/60/835735860.db2.gz XTXJMILSCUEOIS-HOTGVXAUSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266345726 835735871 /nfs/dbraw/zinc/73/58/71/835735871.db2.gz XTXJMILSCUEOIS-HOTGVXAUSA-N 2 2 336.480 0.744 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(CCC)C2CC[NH+](CC(N)=O)CC2)CC1 ZINC001266393014 835800188 /nfs/dbraw/zinc/80/01/88/835800188.db2.gz PKDRLDXJLLMFJL-UHFFFAOYSA-N 2 2 348.491 0.520 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)Nc1cc(C)no1 ZINC001266728697 836206493 /nfs/dbraw/zinc/20/64/93/836206493.db2.gz IEZKPTWZYMMBBC-AWEZNQCLSA-N 2 2 347.419 0.067 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)Nc1cc(C)no1 ZINC001266728697 836206496 /nfs/dbraw/zinc/20/64/96/836206496.db2.gz IEZKPTWZYMMBBC-AWEZNQCLSA-N 2 2 347.419 0.067 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001267047389 836676314 /nfs/dbraw/zinc/67/63/14/836676314.db2.gz MZTXAVYROYTQON-AWEZNQCLSA-N 2 2 346.431 0.373 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001267066271 836706590 /nfs/dbraw/zinc/70/65/90/836706590.db2.gz CELUBHGVIHRRQN-LSDHHAIUSA-N 2 2 347.463 0.482 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267767220 838503159 /nfs/dbraw/zinc/50/31/59/838503159.db2.gz NGDBJLOYMKMENS-HOTGVXAUSA-N 2 2 330.432 0.628 20 30 ECEDLP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267767220 838503167 /nfs/dbraw/zinc/50/31/67/838503167.db2.gz NGDBJLOYMKMENS-HOTGVXAUSA-N 2 2 330.432 0.628 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267789465 838569526 /nfs/dbraw/zinc/56/95/26/838569526.db2.gz FVQONYDZKUTQMY-KRWDZBQOSA-N 2 2 348.491 0.391 20 30 ECEDLP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267809604 838590622 /nfs/dbraw/zinc/59/06/22/838590622.db2.gz OJJTWGBAJBWYOK-ZDUSSCGKSA-N 2 2 329.404 0.963 20 30 ECEDLP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001267811232 838594578 /nfs/dbraw/zinc/59/45/78/838594578.db2.gz QSNWTESZSSHWJC-ZIAGYGMSSA-N 2 2 333.436 0.232 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)CC1 ZINC000491714129 275382410 /nfs/dbraw/zinc/38/24/10/275382410.db2.gz FMNYKUHDBJLNJJ-SJLPKXTDSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)CC1 ZINC000491714129 275382412 /nfs/dbraw/zinc/38/24/12/275382412.db2.gz FMNYKUHDBJLNJJ-SJLPKXTDSA-N 2 2 331.460 0.797 20 30 ECEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261961416 436897560 /nfs/dbraw/zinc/89/75/60/436897560.db2.gz KIIGLNWEZOLWEP-UHFFFAOYSA-N 2 2 327.454 0.358 20 30 ECEDLP C[N@@H+]1CCO[C@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303977127 437156887 /nfs/dbraw/zinc/15/68/87/437156887.db2.gz KZYMJKJGMMGQMO-CYBMUJFWSA-N 2 2 341.456 0.184 20 30 ECEDLP C[N@H+]1CCO[C@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303977127 437156893 /nfs/dbraw/zinc/15/68/93/437156893.db2.gz KZYMJKJGMMGQMO-CYBMUJFWSA-N 2 2 341.456 0.184 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)CC1 ZINC000304685532 437158944 /nfs/dbraw/zinc/15/89/44/437158944.db2.gz GCBWWKKWXDDLSV-LPHOPBHVSA-N 2 2 335.492 0.931 20 30 ECEDLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000329503067 437376566 /nfs/dbraw/zinc/37/65/66/437376566.db2.gz AMDANNOHJBZKMD-ARFHVFGLSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000329188178 437331667 /nfs/dbraw/zinc/33/16/67/437331667.db2.gz BLPNDSJDFOQWLL-OWCLPIDISA-N 2 2 340.468 0.416 20 30 ECEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329636208 437394463 /nfs/dbraw/zinc/39/44/63/437394463.db2.gz UXSWNWHJRNMLLO-ZIAGYGMSSA-N 2 2 333.436 0.835 20 30 ECEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329636208 437394468 /nfs/dbraw/zinc/39/44/68/437394468.db2.gz UXSWNWHJRNMLLO-ZIAGYGMSSA-N 2 2 333.436 0.835 20 30 ECEDLP C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000329637908 437395363 /nfs/dbraw/zinc/39/53/63/437395363.db2.gz YUWVJMXUUSCXHV-ZQDZILKHSA-N 2 2 326.441 0.024 20 30 ECEDLP C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)[C@H](C)[NH+]1CCOCC1 ZINC000329637908 437395367 /nfs/dbraw/zinc/39/53/67/437395367.db2.gz YUWVJMXUUSCXHV-ZQDZILKHSA-N 2 2 326.441 0.024 20 30 ECEDLP C[C@H](C[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1)C[NH+]1CCOCC1 ZINC000329970076 437440389 /nfs/dbraw/zinc/44/03/89/437440389.db2.gz WXMOSCDJFQXSQB-CABCVRRESA-N 2 2 335.452 0.917 20 30 ECEDLP C[C@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)C[NH+]1CCOCC1 ZINC000329970076 437440390 /nfs/dbraw/zinc/44/03/90/437440390.db2.gz WXMOSCDJFQXSQB-CABCVRRESA-N 2 2 335.452 0.917 20 30 ECEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C2 ZINC000290081562 437460435 /nfs/dbraw/zinc/46/04/35/437460435.db2.gz OUYFPBBSVRGHAU-INIZCTEOSA-N 2 2 345.447 0.828 20 30 ECEDLP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000361525960 437668972 /nfs/dbraw/zinc/66/89/72/437668972.db2.gz OMLQSQKVDOQMTA-AWEZNQCLSA-N 2 2 331.420 0.973 20 30 ECEDLP C[N@H+](CCO)C1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1 ZINC000331100213 437686341 /nfs/dbraw/zinc/68/63/41/437686341.db2.gz BHBAWAJVBIWPEE-UHFFFAOYSA-N 2 2 342.484 0.400 20 30 ECEDLP C[N@@H+](CCO)C1CCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1 ZINC000331100213 437686344 /nfs/dbraw/zinc/68/63/44/437686344.db2.gz BHBAWAJVBIWPEE-UHFFFAOYSA-N 2 2 342.484 0.400 20 30 ECEDLP C[NH+](CCO)C1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000331100213 437686349 /nfs/dbraw/zinc/68/63/49/437686349.db2.gz BHBAWAJVBIWPEE-UHFFFAOYSA-N 2 2 342.484 0.400 20 30 ECEDLP C[NH+](CCO)C1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000331100213 437686355 /nfs/dbraw/zinc/68/63/55/437686355.db2.gz BHBAWAJVBIWPEE-UHFFFAOYSA-N 2 2 342.484 0.400 20 30 ECEDLP CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@H](C[NH+](C)CC(N)=O)C2)C1 ZINC000331226787 437722669 /nfs/dbraw/zinc/72/26/69/437722669.db2.gz FOQHQTNSUYYYDS-UONOGXRCSA-N 2 2 341.456 0.553 20 30 ECEDLP CC[N@H+]1CCC[C@H](NC(=O)N2CCO[C@H](C[NH+](C)CC(N)=O)C2)C1 ZINC000331226787 437722673 /nfs/dbraw/zinc/72/26/73/437722673.db2.gz FOQHQTNSUYYYDS-UONOGXRCSA-N 2 2 341.456 0.553 20 30 ECEDLP CC[NH+]1CCC[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000331226787 437722676 /nfs/dbraw/zinc/72/26/76/437722676.db2.gz FOQHQTNSUYYYDS-UONOGXRCSA-N 2 2 341.456 0.553 20 30 ECEDLP CC[NH+]1CCC[C@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000331226787 437722681 /nfs/dbraw/zinc/72/26/81/437722681.db2.gz FOQHQTNSUYYYDS-UONOGXRCSA-N 2 2 341.456 0.553 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000362424496 437738474 /nfs/dbraw/zinc/73/84/74/437738474.db2.gz JRYUXKQDIUJLKZ-UHFFFAOYSA-N 2 2 338.452 0.573 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000362424496 437738477 /nfs/dbraw/zinc/73/84/77/437738477.db2.gz JRYUXKQDIUJLKZ-UHFFFAOYSA-N 2 2 338.452 0.573 20 30 ECEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N(CCC#N)CCC#N ZINC000371295842 437916003 /nfs/dbraw/zinc/91/60/03/437916003.db2.gz VIFKBWITQPTEFB-IKGGRYGDSA-N 2 2 347.463 0.826 20 30 ECEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)N(CCC#N)CCC#N ZINC000371295842 437916006 /nfs/dbraw/zinc/91/60/06/437916006.db2.gz VIFKBWITQPTEFB-IKGGRYGDSA-N 2 2 347.463 0.826 20 30 ECEDLP CN1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C#N ZINC000372224070 438051010 /nfs/dbraw/zinc/05/10/10/438051010.db2.gz WDPICRVXKZJABI-HOCLYGCPSA-N 2 2 334.468 0.004 20 30 ECEDLP CN1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C#N ZINC000372224070 438051015 /nfs/dbraw/zinc/05/10/15/438051015.db2.gz WDPICRVXKZJABI-HOCLYGCPSA-N 2 2 334.468 0.004 20 30 ECEDLP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCCSCC#N)CC2)C1 ZINC000372619574 438106095 /nfs/dbraw/zinc/10/60/95/438106095.db2.gz JOGZPPOVVNHJQS-INIZCTEOSA-N 2 2 326.510 0.972 20 30 ECEDLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC(=O)NCC#N)CC2)C[C@H](C)O1 ZINC000358872033 438320294 /nfs/dbraw/zinc/32/02/94/438320294.db2.gz LPMZIMNLBJCDBC-GASCZTMLSA-N 2 2 338.452 0.216 20 30 ECEDLP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC(=O)NCC#N)CC2)C[C@H](C)O1 ZINC000358872033 438320296 /nfs/dbraw/zinc/32/02/96/438320296.db2.gz LPMZIMNLBJCDBC-GASCZTMLSA-N 2 2 338.452 0.216 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](CC(=O)NC)CC2)CC1 ZINC000377574627 438314768 /nfs/dbraw/zinc/31/47/68/438314768.db2.gz HRUGOWBXBMSORW-UHFFFAOYSA-N 2 2 337.468 0.100 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](CC(=O)NC)CC2)CC1 ZINC000377574627 438314774 /nfs/dbraw/zinc/31/47/74/438314774.db2.gz HRUGOWBXBMSORW-UHFFFAOYSA-N 2 2 337.468 0.100 20 30 ECEDLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)[C@H](C)C#N)CC2)CC1 ZINC000564448259 438874242 /nfs/dbraw/zinc/87/42/42/438874242.db2.gz ZUDWBZCXOGSGNY-CQSZACIVSA-N 2 2 328.482 0.720 20 30 ECEDLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)[C@H](C)C#N)CC2)CC1 ZINC000564448259 438874247 /nfs/dbraw/zinc/87/42/47/438874247.db2.gz ZUDWBZCXOGSGNY-CQSZACIVSA-N 2 2 328.482 0.720 20 30 ECEDLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000566123390 439010775 /nfs/dbraw/zinc/01/07/75/439010775.db2.gz IVRCLNNEGNFDOZ-ROUUACIJSA-N 2 2 342.443 0.704 20 30 ECEDLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000566123390 439010778 /nfs/dbraw/zinc/01/07/78/439010778.db2.gz IVRCLNNEGNFDOZ-ROUUACIJSA-N 2 2 342.443 0.704 20 30 ECEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1ccccc1C#N ZINC000602989680 439177404 /nfs/dbraw/zinc/17/74/04/439177404.db2.gz YYTLNGYDGAAWQG-MRXNPFEDSA-N 2 2 346.431 0.004 20 30 ECEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1ccccc1C#N ZINC000602989680 439177407 /nfs/dbraw/zinc/17/74/07/439177407.db2.gz YYTLNGYDGAAWQG-MRXNPFEDSA-N 2 2 346.431 0.004 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000490933565 439312805 /nfs/dbraw/zinc/31/28/05/439312805.db2.gz DSQAMHZGGZZTFE-MYYSRTQBSA-N 2 2 347.484 0.852 20 30 ECEDLP CN(C)c1[nH+]cc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)n1C ZINC000568992102 439296620 /nfs/dbraw/zinc/29/66/20/439296620.db2.gz VMVUKTPZGIHTJL-UHFFFAOYSA-N 2 2 347.444 0.921 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000582725929 439372567 /nfs/dbraw/zinc/37/25/67/439372567.db2.gz GWVDIFZLHFEIFH-SJORKVTESA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000582725929 439372571 /nfs/dbraw/zinc/37/25/71/439372571.db2.gz GWVDIFZLHFEIFH-SJORKVTESA-N 2 2 333.432 0.734 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)CC1 ZINC000491786206 439450551 /nfs/dbraw/zinc/45/05/51/439450551.db2.gz UMHGNNQFUJVEAI-ROUUACIJSA-N 2 2 327.428 0.572 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)CC1 ZINC000491786206 439450555 /nfs/dbraw/zinc/45/05/55/439450555.db2.gz UMHGNNQFUJVEAI-ROUUACIJSA-N 2 2 327.428 0.572 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000594820266 439621743 /nfs/dbraw/zinc/62/17/43/439621743.db2.gz AGZCDTYOELNLAY-UHFFFAOYSA-N 2 2 342.440 0.859 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000594820266 439621748 /nfs/dbraw/zinc/62/17/48/439621748.db2.gz AGZCDTYOELNLAY-UHFFFAOYSA-N 2 2 342.440 0.859 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)CCOCC1 ZINC000600741210 439697527 /nfs/dbraw/zinc/69/75/27/439697527.db2.gz CLBYYYNEKPKHIG-JKSUJKDBSA-N 2 2 325.453 0.494 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CCOCC1 ZINC000600741210 439697531 /nfs/dbraw/zinc/69/75/31/439697531.db2.gz CLBYYYNEKPKHIG-JKSUJKDBSA-N 2 2 325.453 0.494 20 30 ECEDLP C=CCCn1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)nn1 ZINC000638985770 440659459 /nfs/dbraw/zinc/65/94/59/440659459.db2.gz NUVTVAFFWINGNB-UHFFFAOYSA-N 2 2 327.392 0.911 20 30 ECEDLP CC#CC[NH2+]Cc1cn(CC(=O)NC2CC[NH+](C(C)C)CC2)nn1 ZINC000641046830 441050811 /nfs/dbraw/zinc/05/08/11/441050811.db2.gz GPMAHVNESKHGHR-UHFFFAOYSA-N 2 2 332.452 0.380 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCn3cc(C)[nH+]c3C2)CC1 ZINC000672355983 548313993 /nfs/dbraw/zinc/31/39/93/548313993.db2.gz UVKQEPINKASHLL-UHFFFAOYSA-N 2 2 331.420 0.300 20 30 ECEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2CC)CC1 ZINC000828601370 588192447 /nfs/dbraw/zinc/19/24/47/588192447.db2.gz PUFBHMFMMIAJLH-CVEARBPZSA-N 2 2 344.463 0.589 20 30 ECEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2CC)CC1 ZINC000828601370 588192449 /nfs/dbraw/zinc/19/24/49/588192449.db2.gz PUFBHMFMMIAJLH-CVEARBPZSA-N 2 2 344.463 0.589 20 30 ECEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NCCN1CCOCC1 ZINC000849069263 589319280 /nfs/dbraw/zinc/31/92/80/589319280.db2.gz BFSCWJACFGBDAV-UHFFFAOYSA-N 2 2 334.468 0.259 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000852562336 589501326 /nfs/dbraw/zinc/50/13/26/589501326.db2.gz GXMPIJXITHZFCZ-MSOLQXFVSA-N 2 2 343.475 0.498 20 30 ECEDLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852858180 589518883 /nfs/dbraw/zinc/51/88/83/589518883.db2.gz SMILRHRXDXVQEB-UHFFFAOYSA-N 2 2 348.491 0.392 20 30 ECEDLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852858180 589518885 /nfs/dbraw/zinc/51/88/85/589518885.db2.gz SMILRHRXDXVQEB-UHFFFAOYSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CCCN(CCOC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000853743580 589557391 /nfs/dbraw/zinc/55/73/91/589557391.db2.gz RBSUYWXTYJDTRS-MRXNPFEDSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CCCN(CCOC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000853743580 589557392 /nfs/dbraw/zinc/55/73/92/589557392.db2.gz RBSUYWXTYJDTRS-MRXNPFEDSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112403908 589596166 /nfs/dbraw/zinc/59/61/66/589596166.db2.gz DLFVDZSOXPTJKJ-UHFFFAOYSA-N 2 2 327.432 0.224 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000855414606 589630557 /nfs/dbraw/zinc/63/05/57/589630557.db2.gz IWIRZEAINUFVIZ-UHFFFAOYSA-N 2 2 331.416 0.767 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000855414606 589630558 /nfs/dbraw/zinc/63/05/58/589630558.db2.gz IWIRZEAINUFVIZ-UHFFFAOYSA-N 2 2 331.416 0.767 20 30 ECEDLP C=CCCn1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)nn1 ZINC000866712513 589762094 /nfs/dbraw/zinc/76/20/94/589762094.db2.gz VBPUYQWTAAARMY-ZNMIVQPWSA-N 2 2 332.408 0.221 20 30 ECEDLP C=CCCn1cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)nn1 ZINC000866712513 589762097 /nfs/dbraw/zinc/76/20/97/589762097.db2.gz VBPUYQWTAAARMY-ZNMIVQPWSA-N 2 2 332.408 0.221 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000867984619 589866916 /nfs/dbraw/zinc/86/69/16/589866916.db2.gz MLGUWPIMKUNXEO-FUHWJXTLSA-N 2 2 340.427 0.678 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000865795461 590157893 /nfs/dbraw/zinc/15/78/93/590157893.db2.gz PNGOYNHHTXECNP-AWEZNQCLSA-N 2 2 338.452 0.219 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262089 590380361 /nfs/dbraw/zinc/38/03/61/590380361.db2.gz SVRCHIMVPMFLIX-KBPBESRZSA-N 2 2 331.420 0.992 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262089 590380362 /nfs/dbraw/zinc/38/03/62/590380362.db2.gz SVRCHIMVPMFLIX-KBPBESRZSA-N 2 2 331.420 0.992 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000876715197 590401769 /nfs/dbraw/zinc/40/17/69/590401769.db2.gz KZGGHIDOKCMZRV-LBPRGKRZSA-N 2 2 349.826 0.482 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC[N@@H+]1CCCOCC1 ZINC000876891507 590423607 /nfs/dbraw/zinc/42/36/07/590423607.db2.gz ZOJVMJJLDWDOIU-QGZVFWFLSA-N 2 2 328.416 0.584 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC[N@H+]1CCCOCC1 ZINC000876891507 590423610 /nfs/dbraw/zinc/42/36/10/590423610.db2.gz ZOJVMJJLDWDOIU-QGZVFWFLSA-N 2 2 328.416 0.584 20 30 ECEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)[C@@H](C)CO1 ZINC000876960719 590429728 /nfs/dbraw/zinc/42/97/28/590429728.db2.gz LLYFBIZKTOBVLU-IYOUNJFTSA-N 2 2 342.443 0.970 20 30 ECEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)[C@@H](C)CO1 ZINC000876960719 590429729 /nfs/dbraw/zinc/42/97/29/590429729.db2.gz LLYFBIZKTOBVLU-IYOUNJFTSA-N 2 2 342.443 0.970 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000879243841 590573457 /nfs/dbraw/zinc/57/34/57/590573457.db2.gz MHZQAMIPFCLRAK-AZUAARDMSA-N 2 2 341.455 0.962 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000879243841 590573459 /nfs/dbraw/zinc/57/34/59/590573459.db2.gz MHZQAMIPFCLRAK-AZUAARDMSA-N 2 2 341.455 0.962 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000133516143 590706957 /nfs/dbraw/zinc/70/69/57/590706957.db2.gz DIFCXXVAGIUYDW-GOSISDBHSA-N 2 2 327.428 0.665 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000133516143 590706959 /nfs/dbraw/zinc/70/69/59/590706959.db2.gz DIFCXXVAGIUYDW-GOSISDBHSA-N 2 2 327.428 0.665 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000884220017 590780283 /nfs/dbraw/zinc/78/02/83/590780283.db2.gz DQVYEZNCSKMJGZ-HNNXBMFYSA-N 2 2 339.436 0.004 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000890365209 591151822 /nfs/dbraw/zinc/15/18/22/591151822.db2.gz QOCQQZPDIPVBMY-BBWFWOEESA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000890365209 591151824 /nfs/dbraw/zinc/15/18/24/591151824.db2.gz QOCQQZPDIPVBMY-BBWFWOEESA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000890365209 591151825 /nfs/dbraw/zinc/15/18/25/591151825.db2.gz QOCQQZPDIPVBMY-BBWFWOEESA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000890365209 591151827 /nfs/dbraw/zinc/15/18/27/591151827.db2.gz QOCQQZPDIPVBMY-BBWFWOEESA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000890364515 591152036 /nfs/dbraw/zinc/15/20/36/591152036.db2.gz BMAMVJJZNCQTSF-SJORKVTESA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000890364515 591152037 /nfs/dbraw/zinc/15/20/37/591152037.db2.gz BMAMVJJZNCQTSF-SJORKVTESA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC1(O)CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000931142986 611510426 /nfs/dbraw/zinc/51/04/26/611510426.db2.gz CVUFBZXHKZCVSE-UHFFFAOYSA-N 2 2 342.443 0.580 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)C1 ZINC000941456524 610318846 /nfs/dbraw/zinc/31/88/46/610318846.db2.gz QUFXYFMBVYMJRS-FUHWJXTLSA-N 2 2 330.476 0.465 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)C1 ZINC000941456524 610318848 /nfs/dbraw/zinc/31/88/48/610318848.db2.gz QUFXYFMBVYMJRS-FUHWJXTLSA-N 2 2 330.476 0.465 20 30 ECEDLP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000941532511 610363829 /nfs/dbraw/zinc/36/38/29/610363829.db2.gz ZOZKKFZWQLOIST-QGZVFWFLSA-N 2 2 336.480 0.110 20 30 ECEDLP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000941532511 610363831 /nfs/dbraw/zinc/36/38/31/610363831.db2.gz ZOZKKFZWQLOIST-QGZVFWFLSA-N 2 2 336.480 0.110 20 30 ECEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370415 611954561 /nfs/dbraw/zinc/95/45/61/611954561.db2.gz RFHCMXZMMOKECI-IRXDYDNUSA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370415 611954563 /nfs/dbraw/zinc/95/45/63/611954563.db2.gz RFHCMXZMMOKECI-IRXDYDNUSA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370415 611954565 /nfs/dbraw/zinc/95/45/65/611954565.db2.gz RFHCMXZMMOKECI-IRXDYDNUSA-N 2 2 347.459 0.176 20 30 ECEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC2)C1 ZINC000949370415 611954567 /nfs/dbraw/zinc/95/45/67/611954567.db2.gz RFHCMXZMMOKECI-IRXDYDNUSA-N 2 2 347.459 0.176 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972441863 736204375 /nfs/dbraw/zinc/20/43/75/736204375.db2.gz VZKINNCWEPFELN-QFBILLFUSA-N 2 2 342.443 0.772 20 30 ECEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972441863 736204376 /nfs/dbraw/zinc/20/43/76/736204376.db2.gz VZKINNCWEPFELN-QFBILLFUSA-N 2 2 342.443 0.772 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnsn2)C1 ZINC001024022019 737626635 /nfs/dbraw/zinc/62/66/35/737626635.db2.gz ONTBOSBZTPBJRV-HOCLYGCPSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnsn2)C1 ZINC001024022019 737626637 /nfs/dbraw/zinc/62/66/37/737626637.db2.gz ONTBOSBZTPBJRV-HOCLYGCPSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2csnn2)C1 ZINC001024022192 737627160 /nfs/dbraw/zinc/62/71/60/737627160.db2.gz PTDGKUSFZMOEGY-HOCLYGCPSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2csnn2)C1 ZINC001024022192 737627164 /nfs/dbraw/zinc/62/71/64/737627164.db2.gz PTDGKUSFZMOEGY-HOCLYGCPSA-N 2 2 347.488 0.964 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4c[nH+]cn4c3)C2)nn1 ZINC001105283663 741641527 /nfs/dbraw/zinc/64/15/27/741641527.db2.gz RDNHQBXDOWCWFB-UHFFFAOYSA-N 2 2 349.398 0.736 20 30 ECEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001104954908 741025717 /nfs/dbraw/zinc/02/57/17/741025717.db2.gz ZEQDVDXOUYWCOT-UKRRQHHQSA-N 2 2 345.447 0.084 20 30 ECEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001105041283 741218799 /nfs/dbraw/zinc/21/87/99/741218799.db2.gz CAJBHPDMGWUARR-NXHRZFHOSA-N 2 2 333.476 0.805 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC001105240617 741534243 /nfs/dbraw/zinc/53/42/43/741534243.db2.gz UMUIEVAZACSZJN-QGZVFWFLSA-N 2 2 344.463 0.647 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC001105240617 741534246 /nfs/dbraw/zinc/53/42/46/741534246.db2.gz UMUIEVAZACSZJN-QGZVFWFLSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC(=C)C)nn2)C1 ZINC001105262133 741587961 /nfs/dbraw/zinc/58/79/61/741587961.db2.gz IPNRRVQHFKJBFO-KRWDZBQOSA-N 2 2 342.447 0.425 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nn1 ZINC001105312296 741724780 /nfs/dbraw/zinc/72/47/80/741724780.db2.gz JJQZIXBDQVBYES-KBPBESRZSA-N 2 2 330.436 0.115 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC001105312296 741724784 /nfs/dbraw/zinc/72/47/84/741724784.db2.gz JJQZIXBDQVBYES-KBPBESRZSA-N 2 2 330.436 0.115 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001027191428 743079219 /nfs/dbraw/zinc/07/92/19/743079219.db2.gz MNHVVKQACMRMQZ-CABCVRRESA-N 2 2 345.447 0.486 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=O)NC)CC1 ZINC000997623537 743715958 /nfs/dbraw/zinc/71/59/58/743715958.db2.gz DHPMQKUUWJNIQK-HOCLYGCPSA-N 2 2 334.464 0.047 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=O)NC)CC1 ZINC000997623537 743715961 /nfs/dbraw/zinc/71/59/61/743715961.db2.gz DHPMQKUUWJNIQK-HOCLYGCPSA-N 2 2 334.464 0.047 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC000999389713 744670169 /nfs/dbraw/zinc/67/01/69/744670169.db2.gz AXQURXSWAPKILY-GJZGRUSLSA-N 2 2 345.447 0.810 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC000999389713 744670173 /nfs/dbraw/zinc/67/01/73/744670173.db2.gz AXQURXSWAPKILY-GJZGRUSLSA-N 2 2 345.447 0.810 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]21 ZINC000978285014 746149221 /nfs/dbraw/zinc/14/92/21/746149221.db2.gz USGLTZMTSUOFKA-NXOAAHMSSA-N 2 2 342.443 0.875 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]21 ZINC000978285014 746149224 /nfs/dbraw/zinc/14/92/24/746149224.db2.gz USGLTZMTSUOFKA-NXOAAHMSSA-N 2 2 342.443 0.875 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ncc(C)o3)C[C@H]21 ZINC000978285014 746149226 /nfs/dbraw/zinc/14/92/26/746149226.db2.gz USGLTZMTSUOFKA-NXOAAHMSSA-N 2 2 342.443 0.875 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3ncc(C)o3)C[C@H]21 ZINC000978285014 746149229 /nfs/dbraw/zinc/14/92/29/746149229.db2.gz USGLTZMTSUOFKA-NXOAAHMSSA-N 2 2 342.443 0.875 20 30 ECEDLP C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001088240338 747939314 /nfs/dbraw/zinc/93/93/14/747939314.db2.gz WDQZFNATPYBFTQ-SFHVURJKSA-N 2 2 344.459 0.925 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001088240338 747939320 /nfs/dbraw/zinc/93/93/20/747939320.db2.gz WDQZFNATPYBFTQ-SFHVURJKSA-N 2 2 344.459 0.925 20 30 ECEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)CCc3c[nH+]cn3C)C2)nn1 ZINC001105368403 752468904 /nfs/dbraw/zinc/46/89/04/752468904.db2.gz UWUSGEZENGTILS-UHFFFAOYSA-N 2 2 341.419 0.141 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1C ZINC000988734009 752629005 /nfs/dbraw/zinc/62/90/05/752629005.db2.gz IZJNWJUCNXYTSZ-QZWWFDLISA-N 2 2 348.491 0.530 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1C ZINC000988734009 752629007 /nfs/dbraw/zinc/62/90/07/752629007.db2.gz IZJNWJUCNXYTSZ-QZWWFDLISA-N 2 2 348.491 0.530 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nc(C)no3)C[C@H]2C)CC1 ZINC000989828793 754498621 /nfs/dbraw/zinc/49/86/21/754498621.db2.gz IUSCDZLDQIPTIX-CZUORRHYSA-N 2 2 345.447 0.802 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001022220716 758441674 /nfs/dbraw/zinc/44/16/74/758441674.db2.gz LKOHSLFZYNHOKX-ZNMIVQPWSA-N 2 2 343.431 0.781 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001022220716 758441679 /nfs/dbraw/zinc/44/16/79/758441679.db2.gz LKOHSLFZYNHOKX-ZNMIVQPWSA-N 2 2 343.431 0.781 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001022221527 758443012 /nfs/dbraw/zinc/44/30/12/758443012.db2.gz IJUYLWDDYYTXHK-MHEUCROKSA-N 2 2 331.420 0.773 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001022221527 758443016 /nfs/dbraw/zinc/44/30/16/758443016.db2.gz IJUYLWDDYYTXHK-MHEUCROKSA-N 2 2 331.420 0.773 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001077185479 758444369 /nfs/dbraw/zinc/44/43/69/758444369.db2.gz CWHNPLNNOHYDIV-HNNXBMFYSA-N 2 2 345.447 0.239 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)C1 ZINC001032201843 759582206 /nfs/dbraw/zinc/58/22/06/759582206.db2.gz KQDALSNEIVERAW-LJQANCHMSA-N 2 2 341.455 0.807 20 30 ECEDLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)C1 ZINC001032201843 759582213 /nfs/dbraw/zinc/58/22/13/759582213.db2.gz KQDALSNEIVERAW-LJQANCHMSA-N 2 2 341.455 0.807 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001051082287 761456414 /nfs/dbraw/zinc/45/64/14/761456414.db2.gz XZKXEEAQXMOTJH-DLBZAZTESA-N 2 2 339.480 0.879 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082287 761456416 /nfs/dbraw/zinc/45/64/16/761456416.db2.gz XZKXEEAQXMOTJH-DLBZAZTESA-N 2 2 339.480 0.879 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001051082287 761456417 /nfs/dbraw/zinc/45/64/17/761456417.db2.gz XZKXEEAQXMOTJH-DLBZAZTESA-N 2 2 339.480 0.879 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001051082287 761456419 /nfs/dbraw/zinc/45/64/19/761456419.db2.gz XZKXEEAQXMOTJH-DLBZAZTESA-N 2 2 339.480 0.879 20 30 ECEDLP N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)s1 ZINC001051949223 763423531 /nfs/dbraw/zinc/42/35/31/763423531.db2.gz XOJGJKWGIRPNKI-ZDUSSCGKSA-N 2 2 345.428 0.833 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052044729 763680546 /nfs/dbraw/zinc/68/05/46/763680546.db2.gz KYWRJSPCSRVTTQ-QZTJIDSGSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052044729 763680551 /nfs/dbraw/zinc/68/05/51/763680551.db2.gz KYWRJSPCSRVTTQ-QZTJIDSGSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052073993 763778157 /nfs/dbraw/zinc/77/81/57/763778157.db2.gz RFBPQYZYEWFMFJ-SFHVURJKSA-N 2 2 332.492 0.570 20 30 ECEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047581013 764765269 /nfs/dbraw/zinc/76/52/69/764765269.db2.gz FKFHFUIILPYYTE-HOTGVXAUSA-N 2 2 327.388 0.570 20 30 ECEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001047581013 764765276 /nfs/dbraw/zinc/76/52/76/764765276.db2.gz FKFHFUIILPYYTE-HOTGVXAUSA-N 2 2 327.388 0.570 20 30 ECEDLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047627335 764923675 /nfs/dbraw/zinc/92/36/75/764923675.db2.gz OOFJDVQMNIPGGA-SQNIBIBYSA-N 2 2 342.443 0.513 20 30 ECEDLP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047627335 764923682 /nfs/dbraw/zinc/92/36/82/764923682.db2.gz OOFJDVQMNIPGGA-SQNIBIBYSA-N 2 2 342.443 0.513 20 30 ECEDLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047627335 764923686 /nfs/dbraw/zinc/92/36/86/764923686.db2.gz OOFJDVQMNIPGGA-SQNIBIBYSA-N 2 2 342.443 0.513 20 30 ECEDLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2ccccc2C#N)C[C@@H]1O ZINC001047627335 764923695 /nfs/dbraw/zinc/92/36/95/764923695.db2.gz OOFJDVQMNIPGGA-SQNIBIBYSA-N 2 2 342.443 0.513 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263776 765866365 /nfs/dbraw/zinc/86/63/65/765866365.db2.gz YKJXZFLRRZPZQL-JKSUJKDBSA-N 2 2 335.448 0.339 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+]3CCC[C@H]3CO1)CCO2 ZINC001053263776 765866372 /nfs/dbraw/zinc/86/63/72/765866372.db2.gz YKJXZFLRRZPZQL-JKSUJKDBSA-N 2 2 335.448 0.339 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)O2 ZINC001053700415 766619505 /nfs/dbraw/zinc/61/95/05/766619505.db2.gz UHCAPACFQUUKMS-JKSUJKDBSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700415 766619510 /nfs/dbraw/zinc/61/95/10/766619510.db2.gz UHCAPACFQUUKMS-JKSUJKDBSA-N 2 2 337.464 0.633 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046041012 766749606 /nfs/dbraw/zinc/74/96/06/766749606.db2.gz NEGATEYPUSVABP-FUHWJXTLSA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046041012 766749612 /nfs/dbraw/zinc/74/96/12/766749612.db2.gz NEGATEYPUSVABP-FUHWJXTLSA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046080448 766916768 /nfs/dbraw/zinc/91/67/68/766916768.db2.gz HDESVCJPTZYZBX-QGZVFWFLSA-N 2 2 331.464 0.757 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046080448 766916773 /nfs/dbraw/zinc/91/67/73/766916773.db2.gz HDESVCJPTZYZBX-QGZVFWFLSA-N 2 2 331.464 0.757 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053903902 767309028 /nfs/dbraw/zinc/30/90/28/767309028.db2.gz ALPBWLDJICSAPL-HOTGVXAUSA-N 2 2 337.464 0.631 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053903902 767309035 /nfs/dbraw/zinc/30/90/35/767309035.db2.gz ALPBWLDJICSAPL-HOTGVXAUSA-N 2 2 337.464 0.631 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001018986179 770485145 /nfs/dbraw/zinc/48/51/45/770485145.db2.gz ULOLVRCQDAGDPF-GJZGRUSLSA-N 2 2 345.451 0.042 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001018986179 770485153 /nfs/dbraw/zinc/48/51/53/770485153.db2.gz ULOLVRCQDAGDPF-GJZGRUSLSA-N 2 2 345.451 0.042 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001020250814 772352004 /nfs/dbraw/zinc/35/20/04/772352004.db2.gz RZIWIDJSLRWQCB-DZKIICNBSA-N 2 2 330.436 0.132 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001020250814 772352011 /nfs/dbraw/zinc/35/20/11/772352011.db2.gz RZIWIDJSLRWQCB-DZKIICNBSA-N 2 2 330.436 0.132 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nccc(C)n2)C1 ZINC001020250810 772352306 /nfs/dbraw/zinc/35/23/06/772352306.db2.gz RYHAQXBIBVGHMT-JYJNAYRXSA-N 2 2 327.432 0.619 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nccc(C)n2)C1 ZINC001020250810 772352311 /nfs/dbraw/zinc/35/23/11/772352311.db2.gz RYHAQXBIBVGHMT-JYJNAYRXSA-N 2 2 327.432 0.619 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnsn1 ZINC001045073401 774935041 /nfs/dbraw/zinc/93/50/41/774935041.db2.gz FNDZCKBUFJZFKA-GJZGRUSLSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnsn1 ZINC001045073401 774935046 /nfs/dbraw/zinc/93/50/46/774935046.db2.gz FNDZCKBUFJZFKA-GJZGRUSLSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCC)CC1 ZINC001070970733 784271153 /nfs/dbraw/zinc/27/11/53/784271153.db2.gz UWHMINJOZSHCHK-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CCC)CC1 ZINC001070970733 784271158 /nfs/dbraw/zinc/27/11/58/784271158.db2.gz UWHMINJOZSHCHK-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[NH+](CCC)CC1 ZINC001070970733 784271167 /nfs/dbraw/zinc/27/11/67/784271167.db2.gz UWHMINJOZSHCHK-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[NH+](CCC)CC1 ZINC001070970733 784271174 /nfs/dbraw/zinc/27/11/74/784271174.db2.gz UWHMINJOZSHCHK-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001071004742 784383227 /nfs/dbraw/zinc/38/32/27/784383227.db2.gz QDVSWIRSZOFMEH-UHFFFAOYSA-N 2 2 333.436 0.569 20 30 ECEDLP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001071004742 784383232 /nfs/dbraw/zinc/38/32/32/784383232.db2.gz QDVSWIRSZOFMEH-UHFFFAOYSA-N 2 2 333.436 0.569 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC001070600347 784415666 /nfs/dbraw/zinc/41/56/66/784415666.db2.gz RFXOCUGPEDJXTA-GJZGRUSLSA-N 2 2 342.403 0.441 20 30 ECEDLP C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC001070600347 784415670 /nfs/dbraw/zinc/41/56/70/784415670.db2.gz RFXOCUGPEDJXTA-GJZGRUSLSA-N 2 2 342.403 0.441 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071194439 784709330 /nfs/dbraw/zinc/70/93/30/784709330.db2.gz JGZZDCLEUPPQGC-SJLPKXTDSA-N 2 2 330.432 0.988 20 30 ECEDLP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071194439 784709335 /nfs/dbraw/zinc/70/93/35/784709335.db2.gz JGZZDCLEUPPQGC-SJLPKXTDSA-N 2 2 330.432 0.988 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942288 790218333 /nfs/dbraw/zinc/21/83/33/790218333.db2.gz VKFQLTJBCWGCMI-PMPSAXMXSA-N 2 2 332.452 0.680 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942288 790218339 /nfs/dbraw/zinc/21/83/39/790218339.db2.gz VKFQLTJBCWGCMI-PMPSAXMXSA-N 2 2 332.452 0.680 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942288 790218344 /nfs/dbraw/zinc/21/83/44/790218344.db2.gz VKFQLTJBCWGCMI-PMPSAXMXSA-N 2 2 332.452 0.680 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001069942288 790218348 /nfs/dbraw/zinc/21/83/48/790218348.db2.gz VKFQLTJBCWGCMI-PMPSAXMXSA-N 2 2 332.452 0.680 20 30 ECEDLP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267488944 837552838 /nfs/dbraw/zinc/55/28/38/837552838.db2.gz SDBFBHJVZZLAOP-HUUCEWRRSA-N 2 2 337.468 0.279 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCN(C2CCC2)C1=O ZINC001266285272 835618705 /nfs/dbraw/zinc/61/87/05/835618705.db2.gz SVKSNOQWIRQEDY-DLBZAZTESA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H]1CCN(C2CCC2)C1=O ZINC001266285272 835618709 /nfs/dbraw/zinc/61/87/09/835618709.db2.gz SVKSNOQWIRQEDY-DLBZAZTESA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H]1CCN(C2CCC2)C1=O ZINC001266285272 835618710 /nfs/dbraw/zinc/61/87/10/835618710.db2.gz SVKSNOQWIRQEDY-DLBZAZTESA-N 2 2 346.475 0.285 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H]1CCN(C2CCC2)C1=O ZINC001266285272 835618714 /nfs/dbraw/zinc/61/87/14/835618714.db2.gz SVKSNOQWIRQEDY-DLBZAZTESA-N 2 2 346.475 0.285 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001266320934 835693085 /nfs/dbraw/zinc/69/30/85/835693085.db2.gz JBALOAFCXSWXGY-HUUCEWRRSA-N 2 2 347.463 0.889 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001266320934 835693088 /nfs/dbraw/zinc/69/30/88/835693088.db2.gz JBALOAFCXSWXGY-HUUCEWRRSA-N 2 2 347.463 0.889 20 30 ECEDLP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266469274 835872108 /nfs/dbraw/zinc/87/21/08/835872108.db2.gz IPSRCJAVMMNPCZ-AWEZNQCLSA-N 2 2 333.436 0.425 20 30 ECEDLP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266469274 835872111 /nfs/dbraw/zinc/87/21/11/835872111.db2.gz IPSRCJAVMMNPCZ-AWEZNQCLSA-N 2 2 333.436 0.425 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266662129 836099440 /nfs/dbraw/zinc/09/94/40/836099440.db2.gz CDSPALVVNCRPPG-IRXDYDNUSA-N 2 2 330.432 0.846 20 30 ECEDLP COCC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266662129 836099448 /nfs/dbraw/zinc/09/94/48/836099448.db2.gz CDSPALVVNCRPPG-IRXDYDNUSA-N 2 2 330.432 0.846 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)CCc2[nH+]ccn2C)C1=O ZINC001266785315 836300238 /nfs/dbraw/zinc/30/02/38/836300238.db2.gz MOBUJDUTQAOGAR-AWEZNQCLSA-N 2 2 333.436 0.188 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc2n(n1)CCC2 ZINC001266949718 836514660 /nfs/dbraw/zinc/51/46/60/836514660.db2.gz KSHKOSKBZJDNPN-YOEHRIQHSA-N 2 2 329.448 0.521 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc2n(n1)CCC2 ZINC001266949718 836514669 /nfs/dbraw/zinc/51/46/69/836514669.db2.gz KSHKOSKBZJDNPN-YOEHRIQHSA-N 2 2 329.448 0.521 20 30 ECEDLP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267767677 838505551 /nfs/dbraw/zinc/50/55/51/838505551.db2.gz QDLIWUSIGUUATI-CABCVRRESA-N 2 2 335.452 0.033 20 30 ECEDLP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267767677 838505556 /nfs/dbraw/zinc/50/55/56/838505556.db2.gz QDLIWUSIGUUATI-CABCVRRESA-N 2 2 335.452 0.033 20 30 ECEDLP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267767677 838505560 /nfs/dbraw/zinc/50/55/60/838505560.db2.gz QDLIWUSIGUUATI-CABCVRRESA-N 2 2 335.452 0.033 20 30 ECEDLP CN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267767677 838505564 /nfs/dbraw/zinc/50/55/64/838505564.db2.gz QDLIWUSIGUUATI-CABCVRRESA-N 2 2 335.452 0.033 20 30 ECEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001267936942 838818674 /nfs/dbraw/zinc/81/86/74/838818674.db2.gz DVLGFZLROKKJRY-HZPDHXFCSA-N 2 2 327.444 0.897 20 30 ECEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001267936942 838818683 /nfs/dbraw/zinc/81/86/83/838818683.db2.gz DVLGFZLROKKJRY-HZPDHXFCSA-N 2 2 327.444 0.897 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000528390991 268301810 /nfs/dbraw/zinc/30/18/10/268301810.db2.gz QMPQLJGMSWVUJJ-FUHWJXTLSA-N 2 2 345.443 0.952 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000528390991 268301812 /nfs/dbraw/zinc/30/18/12/268301812.db2.gz QMPQLJGMSWVUJJ-FUHWJXTLSA-N 2 2 345.443 0.952 20 30 ECEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC000329409597 290086468 /nfs/dbraw/zinc/08/64/68/290086468.db2.gz AGQRYJFTEMOJDG-CABCVRRESA-N 2 2 340.468 0.152 20 30 ECEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC000329409597 290086471 /nfs/dbraw/zinc/08/64/71/290086471.db2.gz AGQRYJFTEMOJDG-CABCVRRESA-N 2 2 340.468 0.152 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC[C@@](C)(O)c1cc(C)oc1C ZINC000262338306 436926880 /nfs/dbraw/zinc/92/68/80/436926880.db2.gz FVLXSLNRABVVKS-RHSMWYFYSA-N 2 2 338.452 0.600 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC[C@@](C)(O)c1cc(C)oc1C ZINC000262338306 436926885 /nfs/dbraw/zinc/92/68/85/436926885.db2.gz FVLXSLNRABVVKS-RHSMWYFYSA-N 2 2 338.452 0.600 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)NC[C@@](C)(O)c1cccs1 ZINC000261842479 436892926 /nfs/dbraw/zinc/89/29/26/436892926.db2.gz WKYNYJSZIHBJRB-SWLSCSKDSA-N 2 2 326.466 0.451 20 30 ECEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)NC[C@@](C)(O)c1cccs1 ZINC000261842479 436892929 /nfs/dbraw/zinc/89/29/29/436892929.db2.gz WKYNYJSZIHBJRB-SWLSCSKDSA-N 2 2 326.466 0.451 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262801422 436942600 /nfs/dbraw/zinc/94/26/00/436942600.db2.gz QZELUFOLXDULSC-CYBMUJFWSA-N 2 2 344.467 0.785 20 30 ECEDLP COC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000264117806 437016732 /nfs/dbraw/zinc/01/67/32/437016732.db2.gz TXRQTEFTJQZPEK-OAHLLOKOSA-N 2 2 349.479 0.756 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000329751712 437409645 /nfs/dbraw/zinc/40/96/45/437409645.db2.gz VVOOSGBPRFIGGD-ZFWWWQNUSA-N 2 2 329.466 0.481 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000329751712 437409649 /nfs/dbraw/zinc/40/96/49/437409649.db2.gz VVOOSGBPRFIGGD-ZFWWWQNUSA-N 2 2 329.466 0.481 20 30 ECEDLP CN(C)C(=O)C[NH+]1CCC([NH+]=C([O-])N2CCn3c[nH+]cc3C2)CC1 ZINC000329668822 437398452 /nfs/dbraw/zinc/39/84/52/437398452.db2.gz RCUPFFYSRKKKLQ-UHFFFAOYSA-N 2 2 334.424 0.165 20 30 ECEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 ZINC000360742654 437642224 /nfs/dbraw/zinc/64/22/24/437642224.db2.gz ZVGCNSVFSBHUDE-QGZVFWFLSA-N 2 2 348.495 0.394 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000360973024 437653493 /nfs/dbraw/zinc/65/34/93/437653493.db2.gz RGILJFGCOPTTPU-SJORKVTESA-N 2 2 335.496 0.706 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000360973024 437653500 /nfs/dbraw/zinc/65/35/00/437653500.db2.gz RGILJFGCOPTTPU-SJORKVTESA-N 2 2 335.496 0.706 20 30 ECEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000343893499 437685016 /nfs/dbraw/zinc/68/50/16/437685016.db2.gz REPFWZUPZUQKDJ-HNNXBMFYSA-N 2 2 345.447 0.471 20 30 ECEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000346419691 437811269 /nfs/dbraw/zinc/81/12/69/437811269.db2.gz XUJRTIKWSPRYHB-OAHLLOKOSA-N 2 2 335.496 0.895 20 30 ECEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000346419691 437811272 /nfs/dbraw/zinc/81/12/72/437811272.db2.gz XUJRTIKWSPRYHB-OAHLLOKOSA-N 2 2 335.496 0.895 20 30 ECEDLP C[C@H](C(=O)NC1(C#N)CCC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000346419691 437811274 /nfs/dbraw/zinc/81/12/74/437811274.db2.gz XUJRTIKWSPRYHB-OAHLLOKOSA-N 2 2 335.496 0.895 20 30 ECEDLP C[C@H](C(=O)NC1(C#N)CCC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000346419691 437811277 /nfs/dbraw/zinc/81/12/77/437811277.db2.gz XUJRTIKWSPRYHB-OAHLLOKOSA-N 2 2 335.496 0.895 20 30 ECEDLP C[NH+](C)CCOc1ccccc1N1CC[NH+](CC(=O)NCC#N)CC1 ZINC000348526063 438070842 /nfs/dbraw/zinc/07/08/42/438070842.db2.gz SBOOCNHKMUXROJ-UHFFFAOYSA-N 2 2 345.447 0.389 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000551851583 438739217 /nfs/dbraw/zinc/73/92/17/438739217.db2.gz WXGOETGHWNKTNI-UHFFFAOYSA-N 2 2 333.436 0.546 20 30 ECEDLP C[NH+]1CCN(c2cc(C(=O)NC3(C#N)CC[NH+](C)CC3)ccn2)CC1 ZINC000558442360 438809590 /nfs/dbraw/zinc/80/95/90/438809590.db2.gz SFGCIBVESFETGR-UHFFFAOYSA-N 2 2 342.447 0.551 20 30 ECEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000602895024 439155343 /nfs/dbraw/zinc/15/53/43/439155343.db2.gz ZZYOUFLWIDJNHQ-SJLPKXTDSA-N 2 2 333.432 0.686 20 30 ECEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000602895024 439155347 /nfs/dbraw/zinc/15/53/47/439155347.db2.gz ZZYOUFLWIDJNHQ-SJLPKXTDSA-N 2 2 333.432 0.686 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000490973329 439319604 /nfs/dbraw/zinc/31/96/04/439319604.db2.gz KGYVCTLCDSYPPT-HXUWFJFHSA-N 2 2 339.439 0.895 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000490973329 439319605 /nfs/dbraw/zinc/31/96/05/439319605.db2.gz KGYVCTLCDSYPPT-HXUWFJFHSA-N 2 2 339.439 0.895 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000491125759 439334421 /nfs/dbraw/zinc/33/44/21/439334421.db2.gz GTQGHIYDLCBKMA-UONOGXRCSA-N 2 2 347.381 0.257 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000491125759 439334424 /nfs/dbraw/zinc/33/44/24/439334424.db2.gz GTQGHIYDLCBKMA-UONOGXRCSA-N 2 2 347.381 0.257 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC000490741266 439293518 /nfs/dbraw/zinc/29/35/18/439293518.db2.gz QAWZWFFMOJGLDW-UHFFFAOYSA-N 2 2 346.519 0.960 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)CC1 ZINC000491178784 439344630 /nfs/dbraw/zinc/34/46/30/439344630.db2.gz BJCBWJDPTFPIPH-CQSZACIVSA-N 2 2 325.416 0.991 20 30 ECEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000491698392 439430274 /nfs/dbraw/zinc/43/02/74/439430274.db2.gz CHXLUWTZAYILCW-ZWKOTPCHSA-N 2 2 329.444 0.599 20 30 ECEDLP C#CCNC(=O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000491698392 439430279 /nfs/dbraw/zinc/43/02/79/439430279.db2.gz CHXLUWTZAYILCW-ZWKOTPCHSA-N 2 2 329.444 0.599 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000491744249 439439349 /nfs/dbraw/zinc/43/93/49/439439349.db2.gz VSUTXZPTIDFDPC-SFHVURJKSA-N 2 2 332.492 0.714 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000491744249 439439352 /nfs/dbraw/zinc/43/93/52/439439352.db2.gz VSUTXZPTIDFDPC-SFHVURJKSA-N 2 2 332.492 0.714 20 30 ECEDLP CC(C)[C@H](C#N)N1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000609484442 439572204 /nfs/dbraw/zinc/57/22/04/439572204.db2.gz ABQNERPHMXDERA-SFHVURJKSA-N 2 2 347.507 0.895 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595138886 439660736 /nfs/dbraw/zinc/66/07/36/439660736.db2.gz HXOYWLTYRILTOY-SFHVURJKSA-N 2 2 349.479 0.233 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595138886 439660738 /nfs/dbraw/zinc/66/07/38/439660738.db2.gz HXOYWLTYRILTOY-SFHVURJKSA-N 2 2 349.479 0.233 20 30 ECEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000615791729 439806524 /nfs/dbraw/zinc/80/65/24/439806524.db2.gz TXSIDAPTWGEFSK-HZPDHXFCSA-N 2 2 333.480 0.649 20 30 ECEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000615791729 439806525 /nfs/dbraw/zinc/80/65/25/439806525.db2.gz TXSIDAPTWGEFSK-HZPDHXFCSA-N 2 2 333.480 0.649 20 30 ECEDLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329953688 546036850 /nfs/dbraw/zinc/03/68/50/546036850.db2.gz NKBHRPRZSKYOIH-GJZGRUSLSA-N 2 2 333.436 0.766 20 30 ECEDLP [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000329953688 546036856 /nfs/dbraw/zinc/03/68/56/546036856.db2.gz NKBHRPRZSKYOIH-GJZGRUSLSA-N 2 2 333.436 0.766 20 30 ECEDLP C=C(CNC(=O)Cn1cc[nH+]c1C)CNC(=O)Cn1cc[nH+]c1C ZINC000620747790 546450550 /nfs/dbraw/zinc/45/05/50/546450550.db2.gz VCJCRMLAESYZBY-UHFFFAOYSA-N 2 2 330.392 0.185 20 30 ECEDLP C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668638933 547709121 /nfs/dbraw/zinc/70/91/21/547709121.db2.gz DCQQLZXKKRXOMX-DOTOQJQBSA-N 2 2 336.480 0.742 20 30 ECEDLP C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668638933 547709124 /nfs/dbraw/zinc/70/91/24/547709124.db2.gz DCQQLZXKKRXOMX-DOTOQJQBSA-N 2 2 336.480 0.742 20 30 ECEDLP C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000668689470 547726593 /nfs/dbraw/zinc/72/65/93/547726593.db2.gz RZIDRDYCYHOYEB-QGZVFWFLSA-N 2 2 338.496 0.942 20 30 ECEDLP C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000668689470 547726600 /nfs/dbraw/zinc/72/66/00/547726600.db2.gz RZIDRDYCYHOYEB-QGZVFWFLSA-N 2 2 338.496 0.942 20 30 ECEDLP C[C@@H](O[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C(=O)NC1CC1 ZINC000733307117 578335829 /nfs/dbraw/zinc/33/58/29/578335829.db2.gz WBTCGXSNCSMQFG-CYBMUJFWSA-N 2 2 346.431 0.823 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000775376698 579265944 /nfs/dbraw/zinc/26/59/44/579265944.db2.gz YDKOMVZIWLVEQF-CQSZACIVSA-N 2 2 331.416 0.829 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000836317867 588929651 /nfs/dbraw/zinc/92/96/51/588929651.db2.gz IJEWPHMGIYCDJU-INIZCTEOSA-N 3 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000836317867 588929653 /nfs/dbraw/zinc/92/96/53/588929653.db2.gz IJEWPHMGIYCDJU-INIZCTEOSA-N 3 2 335.496 0.409 20 30 ECEDLP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000836317867 588929654 /nfs/dbraw/zinc/92/96/54/588929654.db2.gz IJEWPHMGIYCDJU-INIZCTEOSA-N 3 2 335.496 0.409 20 30 ECEDLP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000836317867 588929656 /nfs/dbraw/zinc/92/96/56/588929656.db2.gz IJEWPHMGIYCDJU-INIZCTEOSA-N 3 2 335.496 0.409 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000846094183 589184501 /nfs/dbraw/zinc/18/45/01/589184501.db2.gz BEQMOZNNMAEONR-KRWDZBQOSA-N 2 2 340.431 0.743 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000846094183 589184502 /nfs/dbraw/zinc/18/45/02/589184502.db2.gz BEQMOZNNMAEONR-KRWDZBQOSA-N 2 2 340.431 0.743 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)[C@H](C(=O)OCC)CC[C@@H]2C)CC1 ZINC000852204831 589450727 /nfs/dbraw/zinc/45/07/27/589450727.db2.gz XHDFIBIXJUQBBU-GVDBMIGSSA-N 2 2 349.475 0.816 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)[C@H](C(=O)OCC)CC[C@@H]2C)CC1 ZINC000852204831 589450728 /nfs/dbraw/zinc/45/07/28/589450728.db2.gz XHDFIBIXJUQBBU-GVDBMIGSSA-N 2 2 349.475 0.816 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000852562337 589501238 /nfs/dbraw/zinc/50/12/38/589501238.db2.gz GXMPIJXITHZFCZ-QZTJIDSGSA-N 2 2 343.475 0.498 20 30 ECEDLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000872217590 590105583 /nfs/dbraw/zinc/10/55/83/590105583.db2.gz AMLADRBJDWKXNB-HOTGVXAUSA-N 2 2 333.432 0.733 20 30 ECEDLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000872217590 590105585 /nfs/dbraw/zinc/10/55/85/590105585.db2.gz AMLADRBJDWKXNB-HOTGVXAUSA-N 2 2 333.432 0.733 20 30 ECEDLP C[NH+]1CCN(N=Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000872325454 590114900 /nfs/dbraw/zinc/11/49/00/590114900.db2.gz RVPKLNKDJLOSCM-UHFFFAOYSA-N 2 2 332.448 0.979 20 30 ECEDLP CCOCC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876718855 590402669 /nfs/dbraw/zinc/40/26/69/590402669.db2.gz WPJRLESHOIPWKA-GOSISDBHSA-N 2 2 342.443 0.926 20 30 ECEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000884317617 590803981 /nfs/dbraw/zinc/80/39/81/590803981.db2.gz ZBNOLTYCLUPVDK-DIODGJHASA-N 2 2 325.416 0.916 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000884342439 590810918 /nfs/dbraw/zinc/81/09/18/590810918.db2.gz BDCCBWCCZPQREW-SOUVJXGZSA-N 2 2 335.379 0.525 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000887679732 590991748 /nfs/dbraw/zinc/99/17/48/590991748.db2.gz HHIVVBYGRMGULT-KRWDZBQOSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000887679732 590991750 /nfs/dbraw/zinc/99/17/50/590991750.db2.gz HHIVVBYGRMGULT-KRWDZBQOSA-N 2 2 335.496 0.409 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000890365284 591151934 /nfs/dbraw/zinc/15/19/34/591151934.db2.gz RVFKOTVSTINJPV-MRXNPFEDSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000890365284 591151936 /nfs/dbraw/zinc/15/19/36/591151936.db2.gz RVFKOTVSTINJPV-MRXNPFEDSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000890365284 591151938 /nfs/dbraw/zinc/15/19/38/591151938.db2.gz RVFKOTVSTINJPV-MRXNPFEDSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000890365284 591151939 /nfs/dbraw/zinc/15/19/39/591151939.db2.gz RVFKOTVSTINJPV-MRXNPFEDSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000928656137 611707321 /nfs/dbraw/zinc/70/73/21/611707321.db2.gz MMXBTNDKIOZBNK-UHFFFAOYSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC000941433014 610313142 /nfs/dbraw/zinc/31/31/42/610313142.db2.gz LJWBXTXNZDTPLJ-QGZVFWFLSA-N 2 2 332.492 0.426 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941433014 610313144 /nfs/dbraw/zinc/31/31/44/610313144.db2.gz LJWBXTXNZDTPLJ-QGZVFWFLSA-N 2 2 332.492 0.426 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)C1 ZINC000941636844 610422849 /nfs/dbraw/zinc/42/28/49/610422849.db2.gz WFTWUQCGCDVNEB-MSOLQXFVSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nncn1C ZINC001024987654 738462070 /nfs/dbraw/zinc/46/20/70/738462070.db2.gz NOLIXZCWBRZEPP-HOTGVXAUSA-N 2 2 344.463 0.383 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nncn1C ZINC001024987654 738462071 /nfs/dbraw/zinc/46/20/71/738462071.db2.gz NOLIXZCWBRZEPP-HOTGVXAUSA-N 2 2 344.463 0.383 20 30 ECEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276022 738513282 /nfs/dbraw/zinc/51/32/82/738513282.db2.gz JFMFBRSWXVRWCO-IXDOHACOSA-N 2 2 337.464 0.442 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276022 738513284 /nfs/dbraw/zinc/51/32/84/738513284.db2.gz JFMFBRSWXVRWCO-IXDOHACOSA-N 2 2 337.464 0.442 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1=O ZINC001025174661 738760220 /nfs/dbraw/zinc/76/02/20/738760220.db2.gz VGCXZSDJWUJIPJ-CVEARBPZSA-N 2 2 345.447 0.641 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnsn3)C2)CC1 ZINC000970791947 733942921 /nfs/dbraw/zinc/94/29/21/733942921.db2.gz DNEJELBCSSATFZ-CQSZACIVSA-N 2 2 333.461 0.574 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)C[C@H](C)n2cc[nH+]c2)C1=O ZINC001167429014 734226088 /nfs/dbraw/zinc/22/60/88/734226088.db2.gz OTEOGSLXKOUKQV-LSDHHAIUSA-N 2 2 333.436 0.717 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC001023424172 736807607 /nfs/dbraw/zinc/80/76/07/736807607.db2.gz QFTOQPUHJVWSCI-WMZOPIPTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccnn2C)C1 ZINC001023424172 736807610 /nfs/dbraw/zinc/80/76/10/736807610.db2.gz QFTOQPUHJVWSCI-WMZOPIPTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2ccnn2C)C1 ZINC001023424172 736807613 /nfs/dbraw/zinc/80/76/13/736807613.db2.gz QFTOQPUHJVWSCI-WMZOPIPTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2ccnn2C)C1 ZINC001023424172 736807616 /nfs/dbraw/zinc/80/76/16/736807616.db2.gz QFTOQPUHJVWSCI-WMZOPIPTSA-N 2 2 343.475 0.846 20 30 ECEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C[C@@H](C)O2 ZINC001098577824 737005371 /nfs/dbraw/zinc/00/53/71/737005371.db2.gz IPEYSFWSEDNAQM-HZPDHXFCSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C[C@@H](C)O2 ZINC001098577824 737005374 /nfs/dbraw/zinc/00/53/74/737005374.db2.gz IPEYSFWSEDNAQM-HZPDHXFCSA-N 2 2 337.464 0.585 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCn1cncn1 ZINC001024487156 738014704 /nfs/dbraw/zinc/01/47/04/738014704.db2.gz NPYLSEBFAZTRDJ-SJORKVTESA-N 2 2 344.463 0.346 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCn1cncn1 ZINC001024487156 738014708 /nfs/dbraw/zinc/01/47/08/738014708.db2.gz NPYLSEBFAZTRDJ-SJORKVTESA-N 2 2 344.463 0.346 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCn1cncn1 ZINC001024487156 738014712 /nfs/dbraw/zinc/01/47/12/738014712.db2.gz NPYLSEBFAZTRDJ-SJORKVTESA-N 2 2 344.463 0.346 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCn1cncn1 ZINC001024487156 738014714 /nfs/dbraw/zinc/01/47/14/738014714.db2.gz NPYLSEBFAZTRDJ-SJORKVTESA-N 2 2 344.463 0.346 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnc(C)o2)CC1 ZINC001026509029 741496058 /nfs/dbraw/zinc/49/60/58/741496058.db2.gz WUSXJDZJDSXYQA-GPANFISMSA-N 2 2 345.447 0.993 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]Cc2nnc(C)o2)CC1 ZINC001026509029 741496061 /nfs/dbraw/zinc/49/60/61/741496061.db2.gz WUSXJDZJDSXYQA-GPANFISMSA-N 2 2 345.447 0.993 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)nn1 ZINC001105256668 741571618 /nfs/dbraw/zinc/57/16/18/741571618.db2.gz MXTTUCVQBQMZDP-OAHLLOKOSA-N 2 2 344.463 0.362 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)nn1 ZINC001105256668 741571622 /nfs/dbraw/zinc/57/16/22/741571622.db2.gz MXTTUCVQBQMZDP-OAHLLOKOSA-N 2 2 344.463 0.362 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cn3c[nH+]cc3C)C2)nn1 ZINC001105283910 741642387 /nfs/dbraw/zinc/64/23/87/741642387.db2.gz ZATUHIOIMUHGGV-UHFFFAOYSA-N 2 2 329.408 0.532 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnsn2)C1 ZINC001026894047 742039136 /nfs/dbraw/zinc/03/91/36/742039136.db2.gz UQLWTKDUQYQCJB-ZFWWWQNUSA-N 2 2 333.461 0.574 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC000997117183 743254331 /nfs/dbraw/zinc/25/43/31/743254331.db2.gz DJSVWNWUPMWTIB-AWEZNQCLSA-N 2 2 331.420 0.320 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1=O ZINC001167979777 744977433 /nfs/dbraw/zinc/97/74/33/744977433.db2.gz XDBFYNLCKDJLLY-ZFWWWQNUSA-N 2 2 333.436 0.471 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1=O ZINC001167979777 744977438 /nfs/dbraw/zinc/97/74/38/744977438.db2.gz XDBFYNLCKDJLLY-ZFWWWQNUSA-N 2 2 333.436 0.471 20 30 ECEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978527714 746406709 /nfs/dbraw/zinc/40/67/09/746406709.db2.gz RFCAAAAXKUFNLU-ZJPYXAASSA-N 2 2 333.476 0.967 20 30 ECEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[NH+]3CC3CCC3)[C@@H]2C1 ZINC000978527714 746406714 /nfs/dbraw/zinc/40/67/14/746406714.db2.gz RFCAAAAXKUFNLU-ZJPYXAASSA-N 2 2 333.476 0.967 20 30 ECEDLP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@@H+]3CC3CCC3)[C@@H]2C1 ZINC000978527714 746406719 /nfs/dbraw/zinc/40/67/19/746406719.db2.gz RFCAAAAXKUFNLU-ZJPYXAASSA-N 2 2 333.476 0.967 20 30 ECEDLP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@H+]3CC3CCC3)[C@@H]2C1 ZINC000978527714 746406721 /nfs/dbraw/zinc/40/67/21/746406721.db2.gz RFCAAAAXKUFNLU-ZJPYXAASSA-N 2 2 333.476 0.967 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC000985035616 747294258 /nfs/dbraw/zinc/29/42/58/747294258.db2.gz XJEOQMVYVCTJMY-DZKIICNBSA-N 2 2 345.447 0.234 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208630 747749419 /nfs/dbraw/zinc/74/94/19/747749419.db2.gz KEWXDJTVMYTXBV-QYZOEREBSA-N 2 2 345.487 0.901 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208630 747749421 /nfs/dbraw/zinc/74/94/21/747749421.db2.gz KEWXDJTVMYTXBV-QYZOEREBSA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001003057454 748126671 /nfs/dbraw/zinc/12/66/71/748126671.db2.gz ZGAABHNCSSLXPO-PBHICJAKSA-N 2 2 346.475 0.332 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001003057454 748126673 /nfs/dbraw/zinc/12/66/73/748126673.db2.gz ZGAABHNCSSLXPO-PBHICJAKSA-N 2 2 346.475 0.332 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)nn1 ZINC001098732838 749070182 /nfs/dbraw/zinc/07/01/82/749070182.db2.gz AAGXWWUXANDKBT-INIZCTEOSA-N 2 2 346.479 0.752 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001098734691 749167114 /nfs/dbraw/zinc/16/71/14/749167114.db2.gz WGNMJQRSIDADNB-ZBFHGGJFSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001098734691 749167120 /nfs/dbraw/zinc/16/71/20/749167120.db2.gz WGNMJQRSIDADNB-ZBFHGGJFSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001028601722 753882653 /nfs/dbraw/zinc/88/26/53/753882653.db2.gz UEFSREZMCYYIMF-WBVHZDCISA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001028601722 753882660 /nfs/dbraw/zinc/88/26/60/753882660.db2.gz UEFSREZMCYYIMF-WBVHZDCISA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001028601722 753882665 /nfs/dbraw/zinc/88/26/65/753882665.db2.gz UEFSREZMCYYIMF-WBVHZDCISA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001028601722 753882669 /nfs/dbraw/zinc/88/26/69/753882669.db2.gz UEFSREZMCYYIMF-WBVHZDCISA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cnsn3)C[C@@H]2C)CC1 ZINC000989829602 754483735 /nfs/dbraw/zinc/48/37/35/754483735.db2.gz UPPHJPHROMGNHW-ZFWWWQNUSA-N 2 2 347.488 0.962 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](O)CNc2cc[nH+]c(C)n2)CC1 ZINC001105880356 762359269 /nfs/dbraw/zinc/35/92/69/762359269.db2.gz AEPPQCLOJBIIEQ-OAHLLOKOSA-N 2 2 331.420 0.019 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@@H]1O ZINC001083535476 755972525 /nfs/dbraw/zinc/97/25/25/755972525.db2.gz SQCLZBXDRCCGRA-QYZOEREBSA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@@H]1O ZINC001083535476 755972530 /nfs/dbraw/zinc/97/25/30/755972530.db2.gz SQCLZBXDRCCGRA-QYZOEREBSA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C)c2)C[C@@H]1O ZINC001083535476 755972535 /nfs/dbraw/zinc/97/25/35/755972535.db2.gz SQCLZBXDRCCGRA-QYZOEREBSA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C)c2)C[C@@H]1O ZINC001083535476 755972540 /nfs/dbraw/zinc/97/25/40/755972540.db2.gz SQCLZBXDRCCGRA-QYZOEREBSA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2C)C[C@@H]1O ZINC001083535823 755976352 /nfs/dbraw/zinc/97/63/52/755976352.db2.gz OFRCXGSGLQTAGG-QYZOEREBSA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C)C[C@@H]1O ZINC001083535823 755976355 /nfs/dbraw/zinc/97/63/55/755976355.db2.gz OFRCXGSGLQTAGG-QYZOEREBSA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C)C[C@@H]1O ZINC001083535823 755976358 /nfs/dbraw/zinc/97/63/58/755976358.db2.gz OFRCXGSGLQTAGG-QYZOEREBSA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2C)C[C@@H]1O ZINC001083535823 755976361 /nfs/dbraw/zinc/97/63/61/755976361.db2.gz OFRCXGSGLQTAGG-QYZOEREBSA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccon3)C[C@@H]2C1 ZINC001048868809 757234649 /nfs/dbraw/zinc/23/46/49/757234649.db2.gz OMEFMGAJTXMJDY-UXLLHSPISA-N 2 2 328.416 0.662 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccon3)C[C@@H]2C1 ZINC001048868809 757234652 /nfs/dbraw/zinc/23/46/52/757234652.db2.gz OMEFMGAJTXMJDY-UXLLHSPISA-N 2 2 328.416 0.662 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccon3)C[C@@H]2C1 ZINC001048868809 757234658 /nfs/dbraw/zinc/23/46/58/757234658.db2.gz OMEFMGAJTXMJDY-UXLLHSPISA-N 2 2 328.416 0.662 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccon3)C[C@@H]2C1 ZINC001048868809 757234666 /nfs/dbraw/zinc/23/46/66/757234666.db2.gz OMEFMGAJTXMJDY-UXLLHSPISA-N 2 2 328.416 0.662 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[N@@H+](C)C3CCC3)nn2)C1 ZINC001107179153 757356763 /nfs/dbraw/zinc/35/67/63/757356763.db2.gz DHEHZEFQPIFIPO-UHFFFAOYSA-N 2 2 332.452 0.811 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[N@H+](C)C3CCC3)nn2)C1 ZINC001107179153 757356774 /nfs/dbraw/zinc/35/67/74/757356774.db2.gz DHEHZEFQPIFIPO-UHFFFAOYSA-N 2 2 332.452 0.811 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)CC[N@@H+](C)CCC)nn2)C1 ZINC001107230419 757939180 /nfs/dbraw/zinc/93/91/80/757939180.db2.gz DOPXLTVVKPZBRO-UHFFFAOYSA-N 2 2 332.452 0.506 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)CC[N@H+](C)CCC)nn2)C1 ZINC001107230419 757939183 /nfs/dbraw/zinc/93/91/83/757939183.db2.gz DOPXLTVVKPZBRO-UHFFFAOYSA-N 2 2 332.452 0.506 20 30 ECEDLP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001077027130 757982033 /nfs/dbraw/zinc/98/20/33/757982033.db2.gz CQZSJJSLGCORES-BZUAXINKSA-N 2 2 333.436 0.527 20 30 ECEDLP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001077027130 757982041 /nfs/dbraw/zinc/98/20/41/757982041.db2.gz CQZSJJSLGCORES-BZUAXINKSA-N 2 2 333.436 0.527 20 30 ECEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001077027130 757982047 /nfs/dbraw/zinc/98/20/47/757982047.db2.gz CQZSJJSLGCORES-BZUAXINKSA-N 2 2 333.436 0.527 20 30 ECEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001077027130 757982055 /nfs/dbraw/zinc/98/20/55/757982055.db2.gz CQZSJJSLGCORES-BZUAXINKSA-N 2 2 333.436 0.527 20 30 ECEDLP C=C(C)CC[NH+]1CC(n2cc(CNC(=O)Cc3c[nH+]cn3C)nn2)C1 ZINC001107230067 757994585 /nfs/dbraw/zinc/99/45/85/757994585.db2.gz YVJOBWYRIJMJNM-UHFFFAOYSA-N 2 2 343.435 0.693 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2O)CC[N@@H+]1C ZINC001077023470 757997495 /nfs/dbraw/zinc/99/74/95/757997495.db2.gz BGJGJIZXVSODFI-RAEVTNRLSA-N 2 2 348.472 0.621 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)s3)C[C@H]2O)CC[N@H+]1C ZINC001077023470 757997500 /nfs/dbraw/zinc/99/75/00/757997500.db2.gz BGJGJIZXVSODFI-RAEVTNRLSA-N 2 2 348.472 0.621 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2O)CC[NH+]1C ZINC001077023470 757997503 /nfs/dbraw/zinc/99/75/03/757997503.db2.gz BGJGJIZXVSODFI-RAEVTNRLSA-N 2 2 348.472 0.621 20 30 ECEDLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2O)CC[NH+]1C ZINC001077023470 757997505 /nfs/dbraw/zinc/99/75/05/757997505.db2.gz BGJGJIZXVSODFI-RAEVTNRLSA-N 2 2 348.472 0.621 20 30 ECEDLP C=C(C)CC[NH+]1CC(n2cc(CNC(=O)Cn3cc[nH+]c3C)nn2)C1 ZINC001107235714 758022690 /nfs/dbraw/zinc/02/26/90/758022690.db2.gz JUPDSVRITWSVRV-UHFFFAOYSA-N 2 2 343.435 0.922 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nn(CC)nc2C)C1 ZINC001022220776 758441317 /nfs/dbraw/zinc/44/13/17/758441317.db2.gz OUISJHUFSQQTPI-UXLLHSPISA-N 2 2 344.463 0.441 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nn(CC)nc2C)C1 ZINC001022220776 758441321 /nfs/dbraw/zinc/44/13/21/758441321.db2.gz OUISJHUFSQQTPI-UXLLHSPISA-N 2 2 344.463 0.441 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@H](C)C(=O)NC3CC3)C2)CC1 ZINC001032207533 759645459 /nfs/dbraw/zinc/64/54/59/759645459.db2.gz WDWKPDRJGKCWHZ-CQSZACIVSA-N 2 2 346.475 0.047 20 30 ECEDLP COCC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001099556289 759872376 /nfs/dbraw/zinc/87/23/76/759872376.db2.gz IKVXJWQXAPHHCR-FJIDUMEYSA-N 2 2 342.443 0.702 20 30 ECEDLP COCC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1 ZINC001099556289 759872387 /nfs/dbraw/zinc/87/23/87/759872387.db2.gz IKVXJWQXAPHHCR-FJIDUMEYSA-N 2 2 342.443 0.702 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127298806 767968274 /nfs/dbraw/zinc/96/82/74/767968274.db2.gz GUXBJRCRWZVKLA-CYBMUJFWSA-N 2 2 327.388 0.100 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001014769760 763125452 /nfs/dbraw/zinc/12/54/52/763125452.db2.gz MRESAGQBPNVNMI-SJORKVTESA-N 2 2 342.443 0.173 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001014769760 763125460 /nfs/dbraw/zinc/12/54/60/763125460.db2.gz MRESAGQBPNVNMI-SJORKVTESA-N 2 2 342.443 0.173 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001014769760 763125468 /nfs/dbraw/zinc/12/54/68/763125468.db2.gz MRESAGQBPNVNMI-SJORKVTESA-N 2 2 342.443 0.173 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001014769760 763125470 /nfs/dbraw/zinc/12/54/70/763125470.db2.gz MRESAGQBPNVNMI-SJORKVTESA-N 2 2 342.443 0.173 20 30 ECEDLP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046948892 763440472 /nfs/dbraw/zinc/44/04/72/763440472.db2.gz ORSZJYHVVDFXAL-HZSPNIEDSA-N 2 2 331.407 0.965 20 30 ECEDLP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046948892 763440479 /nfs/dbraw/zinc/44/04/79/763440479.db2.gz ORSZJYHVVDFXAL-HZSPNIEDSA-N 2 2 331.407 0.965 20 30 ECEDLP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046948892 763440485 /nfs/dbraw/zinc/44/04/85/763440485.db2.gz ORSZJYHVVDFXAL-HZSPNIEDSA-N 2 2 331.407 0.965 20 30 ECEDLP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046948892 763440489 /nfs/dbraw/zinc/44/04/89/763440489.db2.gz ORSZJYHVVDFXAL-HZSPNIEDSA-N 2 2 331.407 0.965 20 30 ECEDLP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001052000060 763556572 /nfs/dbraw/zinc/55/65/72/763556572.db2.gz KXTKDMPCHRGIHL-DLBZAZTESA-N 2 2 336.480 0.112 20 30 ECEDLP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001052000060 763556575 /nfs/dbraw/zinc/55/65/75/763556575.db2.gz KXTKDMPCHRGIHL-DLBZAZTESA-N 2 2 336.480 0.112 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106340017 768165110 /nfs/dbraw/zinc/16/51/10/768165110.db2.gz ICIHBZMFNBWXAA-BRWVUGGUSA-N 2 2 344.459 0.779 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052107550 763886382 /nfs/dbraw/zinc/88/63/82/763886382.db2.gz FOICJRYJJQCSOU-KRWDZBQOSA-N 2 2 330.476 0.324 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C2)nn1 ZINC001098775507 765032790 /nfs/dbraw/zinc/03/27/90/765032790.db2.gz ZQXNGGUAHGQKBJ-MRXNPFEDSA-N 2 2 332.452 0.506 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001098775507 765032792 /nfs/dbraw/zinc/03/27/92/765032792.db2.gz ZQXNGGUAHGQKBJ-MRXNPFEDSA-N 2 2 332.452 0.506 20 30 ECEDLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046035986 766724437 /nfs/dbraw/zinc/72/44/37/766724437.db2.gz XURLDOJUHKJHNW-QZTJIDSGSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046035986 766724444 /nfs/dbraw/zinc/72/44/44/766724444.db2.gz XURLDOJUHKJHNW-QZTJIDSGSA-N 2 2 347.507 0.706 20 30 ECEDLP N#CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC001046041394 766751336 /nfs/dbraw/zinc/75/13/36/766751336.db2.gz ICDGVIXUKLXXJP-MRXNPFEDSA-N 2 2 338.415 0.690 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046069669 766870174 /nfs/dbraw/zinc/87/01/74/766870174.db2.gz JRAPZQLCWWLIOM-WMZOPIPTSA-N 2 2 343.475 0.830 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046069669 766870188 /nfs/dbraw/zinc/87/01/88/766870188.db2.gz JRAPZQLCWWLIOM-WMZOPIPTSA-N 2 2 343.475 0.830 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046069669 766870198 /nfs/dbraw/zinc/87/01/98/766870198.db2.gz JRAPZQLCWWLIOM-WMZOPIPTSA-N 2 2 343.475 0.830 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046069669 766870206 /nfs/dbraw/zinc/87/02/06/766870206.db2.gz JRAPZQLCWWLIOM-WMZOPIPTSA-N 2 2 343.475 0.830 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106499126 768378688 /nfs/dbraw/zinc/37/86/88/768378688.db2.gz ZWNJTMNZFZMAFY-BZUAXINKSA-N 2 2 347.463 0.648 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106804534 769060360 /nfs/dbraw/zinc/06/03/60/769060360.db2.gz YMZLFPOESCBUAB-MGPQQGTHSA-N 2 2 333.436 0.327 20 30 ECEDLP Cc1[nH+]ccn1CC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055577852 769170067 /nfs/dbraw/zinc/17/00/67/769170067.db2.gz CSNARABGVFADJD-CYBMUJFWSA-N 2 2 346.435 0.048 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001018664016 769734746 /nfs/dbraw/zinc/73/47/46/769734746.db2.gz VUDVKVNJTJMFJK-NWDGAFQWSA-N 2 2 332.242 0.416 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001018664016 769734754 /nfs/dbraw/zinc/73/47/54/769734754.db2.gz VUDVKVNJTJMFJK-NWDGAFQWSA-N 2 2 332.242 0.416 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ncccn2)C1 ZINC001018986133 770484960 /nfs/dbraw/zinc/48/49/60/770484960.db2.gz RWIZVRAXZCPZCQ-JYJNAYRXSA-N 2 2 327.432 0.826 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ncccn2)C1 ZINC001018986133 770484970 /nfs/dbraw/zinc/48/49/70/770484970.db2.gz RWIZVRAXZCPZCQ-JYJNAYRXSA-N 2 2 327.432 0.826 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001020250446 772350089 /nfs/dbraw/zinc/35/00/89/772350089.db2.gz FWTNSGNCODUHHT-KKUMJFAQSA-N 2 2 345.451 0.088 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnnn2C(C)C)C1 ZINC001020250446 772350092 /nfs/dbraw/zinc/35/00/92/772350092.db2.gz FWTNSGNCODUHHT-KKUMJFAQSA-N 2 2 345.451 0.088 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001044972168 774786717 /nfs/dbraw/zinc/78/67/17/774786717.db2.gz LDFMQEYFOGTQCT-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001044972168 774786720 /nfs/dbraw/zinc/78/67/20/774786720.db2.gz LDFMQEYFOGTQCT-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCCNC(C)=O)CC1 ZINC001079152783 780820395 /nfs/dbraw/zinc/82/03/95/780820395.db2.gz DKEVDTKSYFAMKR-SFHVURJKSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCCNC(C)=O)CC1 ZINC001079152783 780820405 /nfs/dbraw/zinc/82/04/05/780820405.db2.gz DKEVDTKSYFAMKR-SFHVURJKSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079244756 780918316 /nfs/dbraw/zinc/91/83/16/780918316.db2.gz CWAVJSWKFSWWLN-DLBZAZTESA-N 2 2 342.443 0.915 20 30 ECEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442571 784085252 /nfs/dbraw/zinc/08/52/52/784085252.db2.gz JTLLYBUTQKLFCX-CABCVRRESA-N 2 2 342.447 0.068 20 30 ECEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442571 784085256 /nfs/dbraw/zinc/08/52/56/784085256.db2.gz JTLLYBUTQKLFCX-CABCVRRESA-N 2 2 342.447 0.068 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001071023026 784448342 /nfs/dbraw/zinc/44/83/42/784448342.db2.gz MDCLMOGVEZBLQD-QGZVFWFLSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001071023026 784448344 /nfs/dbraw/zinc/44/83/44/784448344.db2.gz MDCLMOGVEZBLQD-QGZVFWFLSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001071023026 784448346 /nfs/dbraw/zinc/44/83/46/784448346.db2.gz MDCLMOGVEZBLQD-QGZVFWFLSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001071023026 784448348 /nfs/dbraw/zinc/44/83/48/784448348.db2.gz MDCLMOGVEZBLQD-QGZVFWFLSA-N 2 2 348.491 0.535 20 30 ECEDLP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071226169 784784020 /nfs/dbraw/zinc/78/40/20/784784020.db2.gz VMOAICNNPDFIGP-QAPCUYQASA-N 2 2 330.432 0.678 20 30 ECEDLP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071226169 784784022 /nfs/dbraw/zinc/78/40/22/784784022.db2.gz VMOAICNNPDFIGP-QAPCUYQASA-N 2 2 330.432 0.678 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001267566934 837785904 /nfs/dbraw/zinc/78/59/04/837785904.db2.gz KLLOWXCZDGMPEK-HOCLYGCPSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001267566934 837785910 /nfs/dbraw/zinc/78/59/10/837785910.db2.gz KLLOWXCZDGMPEK-HOCLYGCPSA-N 2 2 345.447 0.567 20 30 ECEDLP C=C(C)C[NH+]1CCN(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001266288134 835631238 /nfs/dbraw/zinc/63/12/38/835631238.db2.gz UDBHDWHCGQUTKZ-MRXNPFEDSA-N 2 2 331.464 0.755 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266546680 835967587 /nfs/dbraw/zinc/96/75/87/835967587.db2.gz VFEGPIQFDZYZID-UONOGXRCSA-N 2 2 333.436 0.389 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266546680 835967593 /nfs/dbraw/zinc/96/75/93/835967593.db2.gz VFEGPIQFDZYZID-UONOGXRCSA-N 2 2 333.436 0.389 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267680211 838238189 /nfs/dbraw/zinc/23/81/89/838238189.db2.gz ZFHSUMXHGIRHKU-INIZCTEOSA-N 2 2 336.480 0.553 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267680211 838238196 /nfs/dbraw/zinc/23/81/96/838238196.db2.gz ZFHSUMXHGIRHKU-INIZCTEOSA-N 2 2 336.480 0.553 20 30 ECEDLP C[C@@H]1CCCC[C@]1(C[NH2+]CC(=O)NCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001267873485 838669360 /nfs/dbraw/zinc/66/93/60/838669360.db2.gz XUFWFZDVTBEBLL-RHSMWYFYSA-N 2 2 346.435 0.178 20 30 ECEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528423748 270008192 /nfs/dbraw/zinc/00/81/92/270008192.db2.gz KIWNQAXYNPCKRP-INIZCTEOSA-N 2 2 341.415 0.854 20 30 ECEDLP C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000337946780 298273758 /nfs/dbraw/zinc/27/37/58/298273758.db2.gz PPMNIMFYKWOEGI-CQSZACIVSA-N 2 2 345.513 0.423 20 30 ECEDLP C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000337946780 298273761 /nfs/dbraw/zinc/27/37/61/298273761.db2.gz PPMNIMFYKWOEGI-CQSZACIVSA-N 2 2 345.513 0.423 20 30 ECEDLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000109025589 436622383 /nfs/dbraw/zinc/62/23/83/436622383.db2.gz AYXKDAYUBWOFQL-UHFFFAOYSA-N 2 2 349.460 0.654 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000108865493 436621563 /nfs/dbraw/zinc/62/15/63/436621563.db2.gz XUDLJTYNPNNHKA-GOSISDBHSA-N 2 2 342.487 0.874 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000108865493 436621565 /nfs/dbraw/zinc/62/15/65/436621565.db2.gz XUDLJTYNPNNHKA-GOSISDBHSA-N 2 2 342.487 0.874 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000293529640 436884989 /nfs/dbraw/zinc/88/49/89/436884989.db2.gz ZUDIFLSVZZGGFV-UHFFFAOYSA-N 2 2 340.387 0.277 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000293529640 436884994 /nfs/dbraw/zinc/88/49/94/436884994.db2.gz ZUDIFLSVZZGGFV-UHFFFAOYSA-N 2 2 340.387 0.277 20 30 ECEDLP C[NH+]1CCN(c2cc(N3CC[NH+](C)CC3)c([N+](=O)[O-])cc2C#N)CC1 ZINC000285576119 437079197 /nfs/dbraw/zinc/07/91/97/437079197.db2.gz KFBNJSVLGPWRRH-UHFFFAOYSA-N 2 2 344.419 0.970 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000285230648 437077515 /nfs/dbraw/zinc/07/75/15/437077515.db2.gz PEYQNIDXRVXQSS-UHFFFAOYSA-N 2 2 345.447 0.766 20 30 ECEDLP C#CCNc1nc(N[C@@H](C)C[NH+](C)C)nc(N[C@@H](C)C[NH+](C)C)[nH+]1 ZINC000286486329 437092871 /nfs/dbraw/zinc/09/28/71/437092871.db2.gz RBLARKIEHVJRFT-STQMWFEESA-N 3 2 334.472 0.641 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000175742626 437114956 /nfs/dbraw/zinc/11/49/56/437114956.db2.gz UKMOPJRETLUVLY-UHFFFAOYSA-N 3 2 337.512 0.962 20 30 ECEDLP CC(=O)N1CC[NH+](CCNC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000328797454 437265596 /nfs/dbraw/zinc/26/55/96/437265596.db2.gz FDDXBDLISZPVJX-CQSZACIVSA-N 2 2 328.482 0.544 20 30 ECEDLP CC(=O)N1CC[NH+](CCNC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000328797454 437265598 /nfs/dbraw/zinc/26/55/98/437265598.db2.gz FDDXBDLISZPVJX-CQSZACIVSA-N 2 2 328.482 0.544 20 30 ECEDLP CN(C)C(=O)CC[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329757762 437409347 /nfs/dbraw/zinc/40/93/47/437409347.db2.gz ZOTKSVSNCDPTRF-CYBMUJFWSA-N 2 2 348.451 0.277 20 30 ECEDLP CN(C)C(=O)CC[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329757762 437409350 /nfs/dbraw/zinc/40/93/50/437409350.db2.gz ZOTKSVSNCDPTRF-CYBMUJFWSA-N 2 2 348.451 0.277 20 30 ECEDLP C[NH+]1CCC(n2ccc(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)n2)CC1 ZINC000330204561 437470097 /nfs/dbraw/zinc/47/00/97/437470097.db2.gz BSFSKFWDFCQADH-CQSZACIVSA-N 2 2 336.440 0.806 20 30 ECEDLP C[NH+]1CCC(n2ccc(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)n2)CC1 ZINC000330204561 437470101 /nfs/dbraw/zinc/47/01/01/437470101.db2.gz BSFSKFWDFCQADH-CQSZACIVSA-N 2 2 336.440 0.806 20 30 ECEDLP CC(C)[C@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[NH+]1CCOCC1 ZINC000329955030 437435861 /nfs/dbraw/zinc/43/58/61/437435861.db2.gz ORQKSIFQERSMIX-XHSDSOJGSA-N 2 2 340.468 0.272 20 30 ECEDLP CC(C)[C@H](CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[NH+]1CCOCC1 ZINC000329955030 437435863 /nfs/dbraw/zinc/43/58/63/437435863.db2.gz ORQKSIFQERSMIX-XHSDSOJGSA-N 2 2 340.468 0.272 20 30 ECEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329961497 437437903 /nfs/dbraw/zinc/43/79/03/437437903.db2.gz RQJACDZBNTZRKP-HUUCEWRRSA-N 2 2 334.468 0.585 20 30 ECEDLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)C2 ZINC000290081568 437461690 /nfs/dbraw/zinc/46/16/90/437461690.db2.gz OUYFPBBSVRGHAU-MRXNPFEDSA-N 2 2 345.447 0.828 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330533591 437542906 /nfs/dbraw/zinc/54/29/06/437542906.db2.gz QRHHTCWFKKUYPM-SQNIBIBYSA-N 2 2 349.523 0.952 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330533591 437542911 /nfs/dbraw/zinc/54/29/11/437542911.db2.gz QRHHTCWFKKUYPM-SQNIBIBYSA-N 2 2 349.523 0.952 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361532641 437668813 /nfs/dbraw/zinc/66/88/13/437668813.db2.gz YVHFGWSIJYAGQP-ZDUSSCGKSA-N 2 2 347.419 0.613 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193628334 437710157 /nfs/dbraw/zinc/71/01/57/437710157.db2.gz ATMADDDJMCMMGU-IXDOHACOSA-N 2 2 333.480 0.172 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193628334 437710162 /nfs/dbraw/zinc/71/01/62/437710162.db2.gz ATMADDDJMCMMGU-IXDOHACOSA-N 2 2 333.480 0.172 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000193628334 437710166 /nfs/dbraw/zinc/71/01/66/437710166.db2.gz ATMADDDJMCMMGU-IXDOHACOSA-N 2 2 333.480 0.172 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000193628334 437710169 /nfs/dbraw/zinc/71/01/69/437710169.db2.gz ATMADDDJMCMMGU-IXDOHACOSA-N 2 2 333.480 0.172 20 30 ECEDLP C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CC[NH+](CCO)CC1 ZINC000357643639 438033480 /nfs/dbraw/zinc/03/34/80/438033480.db2.gz GKCWCSDUYIINLQ-KRWDZBQOSA-N 2 2 333.432 0.686 20 30 ECEDLP C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CC[NH+](CCO)CC1 ZINC000357643639 438033485 /nfs/dbraw/zinc/03/34/85/438033485.db2.gz GKCWCSDUYIINLQ-KRWDZBQOSA-N 2 2 333.432 0.686 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358852828 438314991 /nfs/dbraw/zinc/31/49/91/438314991.db2.gz GAWZVIJIAFSZQN-IYBDPMFKSA-N 2 2 339.480 0.879 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358852828 438314993 /nfs/dbraw/zinc/31/49/93/438314993.db2.gz GAWZVIJIAFSZQN-IYBDPMFKSA-N 2 2 339.480 0.879 20 30 ECEDLP CN(C(=O)C(C)(C)C#N)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000408096169 438511023 /nfs/dbraw/zinc/51/10/23/438511023.db2.gz WTBJPSLVSBXTDC-UHFFFAOYSA-N 2 2 349.479 0.233 20 30 ECEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000591726592 439077468 /nfs/dbraw/zinc/07/74/68/439077468.db2.gz RKUFYCMIEZBEFJ-SFHVURJKSA-N 2 2 331.464 0.842 20 30 ECEDLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c[nH+]c2ccc(C#N)cn12 ZINC000592523805 439242589 /nfs/dbraw/zinc/24/25/89/439242589.db2.gz QPFQWVPLXRJSKG-CYBMUJFWSA-N 2 2 326.404 0.758 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)Cc2ccc(OC)cc2)CC1 ZINC000490780235 439298249 /nfs/dbraw/zinc/29/82/49/439298249.db2.gz HFVHLHVNEWQLDD-UHFFFAOYSA-N 2 2 344.415 0.514 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CON=C(N)C[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000491210526 439349567 /nfs/dbraw/zinc/34/95/67/439349567.db2.gz VNRKPWNVLQMNLI-IYBDPMFKSA-N 2 2 349.479 0.525 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CON=C(N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000491210526 439349572 /nfs/dbraw/zinc/34/95/72/439349572.db2.gz VNRKPWNVLQMNLI-IYBDPMFKSA-N 2 2 349.479 0.525 20 30 ECEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000570038261 439385512 /nfs/dbraw/zinc/38/55/12/439385512.db2.gz ZWQZEWSGMAWZPX-MSOLQXFVSA-N 2 2 333.476 0.990 20 30 ECEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000570038261 439385516 /nfs/dbraw/zinc/38/55/16/439385516.db2.gz ZWQZEWSGMAWZPX-MSOLQXFVSA-N 2 2 333.476 0.990 20 30 ECEDLP N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599299056 439423969 /nfs/dbraw/zinc/42/39/69/439423969.db2.gz AGKPNJCZJIZTGR-DLBZAZTESA-N 2 2 337.464 0.712 20 30 ECEDLP N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599299056 439423975 /nfs/dbraw/zinc/42/39/75/439423975.db2.gz AGKPNJCZJIZTGR-DLBZAZTESA-N 2 2 337.464 0.712 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491673347 439424410 /nfs/dbraw/zinc/42/44/10/439424410.db2.gz IJMXGALIGYKCBD-UKRRQHHQSA-N 2 2 347.381 0.399 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491673347 439424413 /nfs/dbraw/zinc/42/44/13/439424413.db2.gz IJMXGALIGYKCBD-UKRRQHHQSA-N 2 2 347.381 0.399 20 30 ECEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)o1 ZINC000594802789 439616260 /nfs/dbraw/zinc/61/62/60/439616260.db2.gz CDZGNHUDFTYCDE-LBPRGKRZSA-N 2 2 328.438 0.702 20 30 ECEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)o1 ZINC000594802789 439616263 /nfs/dbraw/zinc/61/62/63/439616263.db2.gz CDZGNHUDFTYCDE-LBPRGKRZSA-N 2 2 328.438 0.702 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)CCOCC1 ZINC000600746915 439699727 /nfs/dbraw/zinc/69/97/27/439699727.db2.gz YMCKIONALBEFSD-CVEARBPZSA-N 2 2 325.453 0.494 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)CCOCC1 ZINC000600746915 439699732 /nfs/dbraw/zinc/69/97/32/439699732.db2.gz YMCKIONALBEFSD-CVEARBPZSA-N 2 2 325.453 0.494 20 30 ECEDLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)COc2ccccc2C#N)n1C ZINC000600724661 439695303 /nfs/dbraw/zinc/69/53/03/439695303.db2.gz HBKXEQMAZIDPCG-HNNXBMFYSA-N 2 2 329.404 0.887 20 30 ECEDLP C=CC[C@@]1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CCC[NH2+]1 ZINC000662673077 439841499 /nfs/dbraw/zinc/84/14/99/439841499.db2.gz GMGHRCNDGHHGCW-IBGZPJMESA-N 2 2 348.491 0.841 20 30 ECEDLP C=CC[C@@]1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CCC[NH2+]1 ZINC000662673077 439841504 /nfs/dbraw/zinc/84/15/04/439841504.db2.gz GMGHRCNDGHHGCW-IBGZPJMESA-N 2 2 348.491 0.841 20 30 ECEDLP C=CCCn1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC000655938392 440652273 /nfs/dbraw/zinc/65/22/73/440652273.db2.gz UYSVHJKAHGGRKY-NVXWUHKLSA-N 2 2 346.479 0.934 20 30 ECEDLP C=CCCn1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC000655938392 440652278 /nfs/dbraw/zinc/65/22/78/440652278.db2.gz UYSVHJKAHGGRKY-NVXWUHKLSA-N 2 2 346.479 0.934 20 30 ECEDLP C(#CC[N@@H+]1CC[C@@H](n2cncn2)C1)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000671243420 548112421 /nfs/dbraw/zinc/11/24/21/548112421.db2.gz DGPLELGVSMFUNT-IYBDPMFKSA-N 2 2 326.408 0.067 20 30 ECEDLP C(#CC[N@H+]1CC[C@@H](n2cncn2)C1)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000671243420 548112424 /nfs/dbraw/zinc/11/24/24/548112424.db2.gz DGPLELGVSMFUNT-IYBDPMFKSA-N 2 2 326.408 0.067 20 30 ECEDLP C(#CC[N@@H+]1CC[C@H](n2cncn2)C1)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000671243420 548112426 /nfs/dbraw/zinc/11/24/26/548112426.db2.gz DGPLELGVSMFUNT-IYBDPMFKSA-N 2 2 326.408 0.067 20 30 ECEDLP C(#CC[N@H+]1CC[C@H](n2cncn2)C1)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000671243420 548112429 /nfs/dbraw/zinc/11/24/29/548112429.db2.gz DGPLELGVSMFUNT-IYBDPMFKSA-N 2 2 326.408 0.067 20 30 ECEDLP C=C(C)C[NH+]1CCC(NC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000729941723 578301690 /nfs/dbraw/zinc/30/16/90/578301690.db2.gz AXIPNYNZIINAMI-UHFFFAOYSA-N 2 2 326.510 0.823 20 30 ECEDLP C#CCNC(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000796275828 578624011 /nfs/dbraw/zinc/62/40/11/578624011.db2.gz FMHHKFGWHZHJQT-UHFFFAOYSA-N 2 2 328.460 0.485 20 30 ECEDLP C#CCNC(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000796275828 578624012 /nfs/dbraw/zinc/62/40/12/578624012.db2.gz FMHHKFGWHZHJQT-UHFFFAOYSA-N 2 2 328.460 0.485 20 30 ECEDLP C#C[C@@H]([NH2+]CC1(C[NH2+][C@@H](C#C)[C@@H]2CCCO2)COC1)[C@@H]1CCCO1 ZINC000775801783 579271672 /nfs/dbraw/zinc/27/16/72/579271672.db2.gz WJMJDOWBCNPMME-MHORFTMASA-N 2 2 332.444 0.544 20 30 ECEDLP C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000776225235 579277985 /nfs/dbraw/zinc/27/79/85/579277985.db2.gz AKHSDZMIVOXMMZ-FGTMMUONSA-N 2 2 348.491 0.977 20 30 ECEDLP C#C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000776225235 579277987 /nfs/dbraw/zinc/27/79/87/579277987.db2.gz AKHSDZMIVOXMMZ-FGTMMUONSA-N 2 2 348.491 0.977 20 30 ECEDLP C[C@@H]1C[NH+]=C(NN=Cc2ccc(C=NNC3=[NH+]C[C@@H](C)N3)cc2)N1 ZINC000779791420 579320820 /nfs/dbraw/zinc/32/08/20/579320820.db2.gz CLYDTRXFIXAJPC-VXGBXAGGSA-N 2 2 326.408 0.229 20 30 ECEDLP C#CC[C@H](CO)[NH2+]C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000895964922 586215434 /nfs/dbraw/zinc/21/54/34/586215434.db2.gz QCFXIWQXULWLNQ-OAHLLOKOSA-N 2 2 325.453 0.949 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(c2[nH+]cnc3[nH]cc(CC)c32)CC1 ZINC000892515655 586270877 /nfs/dbraw/zinc/27/08/77/586270877.db2.gz WIRMQNOHJLJSJA-UHFFFAOYSA-N 2 2 340.431 0.782 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2[nH+]cnc3[nH]cc(CC)c32)CC1 ZINC000892515655 586270878 /nfs/dbraw/zinc/27/08/78/586270878.db2.gz WIRMQNOHJLJSJA-UHFFFAOYSA-N 2 2 340.431 0.782 20 30 ECEDLP N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000819077886 587466800 /nfs/dbraw/zinc/46/68/00/587466800.db2.gz QAXQXRAZBUTBJY-RTBURBONSA-N 2 2 344.459 0.588 20 30 ECEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2C)CC1 ZINC000828243099 588167382 /nfs/dbraw/zinc/16/73/82/588167382.db2.gz PVZBUKRMGZZZQZ-CABCVRRESA-N 2 2 330.436 0.106 20 30 ECEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C)CC1 ZINC000828243099 588167384 /nfs/dbraw/zinc/16/73/84/588167384.db2.gz PVZBUKRMGZZZQZ-CABCVRRESA-N 2 2 330.436 0.106 20 30 ECEDLP C[NH+]=C(NCCN1CCOCC1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000849064106 589319193 /nfs/dbraw/zinc/31/91/93/589319193.db2.gz AWAKAVIGYONCFN-UHFFFAOYSA-N 2 2 342.447 0.870 20 30 ECEDLP C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000852128673 589445135 /nfs/dbraw/zinc/44/51/35/589445135.db2.gz WBDKKIKUWYTAGQ-WMZOPIPTSA-N 2 2 348.491 0.883 20 30 ECEDLP C#C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000852128673 589445137 /nfs/dbraw/zinc/44/51/37/589445137.db2.gz WBDKKIKUWYTAGQ-WMZOPIPTSA-N 2 2 348.491 0.883 20 30 ECEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C#CC3CC[NH2+]CC3)CC2)CC1 ZINC000852863056 589519043 /nfs/dbraw/zinc/51/90/43/589519043.db2.gz JQMYJSVEWVLPPU-UHFFFAOYSA-N 3 2 332.492 0.664 20 30 ECEDLP O=C(C#CC1CC[NH2+]CC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000852867178 589519835 /nfs/dbraw/zinc/51/98/35/589519835.db2.gz QOQQCFRHPSQQOM-UHFFFAOYSA-N 2 2 331.420 0.157 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)NC[C@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000856078759 589653681 /nfs/dbraw/zinc/65/36/81/589653681.db2.gz YGXASFKCVYPUDW-IBGZPJMESA-N 2 2 347.459 0.484 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)NC[C@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000856078759 589653683 /nfs/dbraw/zinc/65/36/83/589653683.db2.gz YGXASFKCVYPUDW-IBGZPJMESA-N 2 2 347.459 0.484 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000876715053 590401979 /nfs/dbraw/zinc/40/19/79/590401979.db2.gz GLQKASKUZAXEJE-DGCLKSJQSA-N 2 2 328.844 0.268 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000884045927 590717006 /nfs/dbraw/zinc/71/70/06/590717006.db2.gz LWPBQYHREOWKDQ-ULQDDVLXSA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000884045927 590717012 /nfs/dbraw/zinc/71/70/12/590717012.db2.gz LWPBQYHREOWKDQ-ULQDDVLXSA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000884078657 590734666 /nfs/dbraw/zinc/73/46/66/590734666.db2.gz RSLCZUYJXKDZLL-SFHVURJKSA-N 2 2 349.523 0.801 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000884078657 590734671 /nfs/dbraw/zinc/73/46/71/590734671.db2.gz RSLCZUYJXKDZLL-SFHVURJKSA-N 2 2 349.523 0.801 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000884078657 590734673 /nfs/dbraw/zinc/73/46/73/590734673.db2.gz RSLCZUYJXKDZLL-SFHVURJKSA-N 2 2 349.523 0.801 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000884078657 590734675 /nfs/dbraw/zinc/73/46/75/590734675.db2.gz RSLCZUYJXKDZLL-SFHVURJKSA-N 2 2 349.523 0.801 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000884198738 590771112 /nfs/dbraw/zinc/77/11/12/590771112.db2.gz FPMMBPUVVPPBNF-DLBZAZTESA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000884198738 590771114 /nfs/dbraw/zinc/77/11/14/590771114.db2.gz FPMMBPUVVPPBNF-DLBZAZTESA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884198738 590771118 /nfs/dbraw/zinc/77/11/18/590771118.db2.gz FPMMBPUVVPPBNF-DLBZAZTESA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884198738 590771121 /nfs/dbraw/zinc/77/11/21/590771121.db2.gz FPMMBPUVVPPBNF-DLBZAZTESA-N 2 2 335.496 0.267 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130684 590946479 /nfs/dbraw/zinc/94/64/79/590946479.db2.gz IZZDPSLGUIXHIV-KGLIPLIRSA-N 2 2 331.420 0.992 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130684 590946481 /nfs/dbraw/zinc/94/64/81/590946481.db2.gz IZZDPSLGUIXHIV-KGLIPLIRSA-N 2 2 331.420 0.992 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000936280680 609051724 /nfs/dbraw/zinc/05/17/24/609051724.db2.gz UHEVTLLIDUYJQJ-OAHLLOKOSA-N 2 2 343.431 0.015 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941432522 610312788 /nfs/dbraw/zinc/31/27/88/610312788.db2.gz CLWOQIAZDPLLEI-SFHVURJKSA-N 2 2 346.519 0.816 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC000941432522 610312789 /nfs/dbraw/zinc/31/27/89/610312789.db2.gz CLWOQIAZDPLLEI-SFHVURJKSA-N 2 2 346.519 0.816 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941474972 610331543 /nfs/dbraw/zinc/33/15/43/610331543.db2.gz HXRLOMQRGFVBPW-UHFFFAOYSA-N 2 2 330.476 0.467 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC000941487519 610338913 /nfs/dbraw/zinc/33/89/13/610338913.db2.gz MEQSYBXAYOTARE-UHFFFAOYSA-N 2 2 337.427 0.800 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000941595425 610390325 /nfs/dbraw/zinc/39/03/25/610390325.db2.gz IYKOACHKOSBJPC-UHFFFAOYSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941404666 610721169 /nfs/dbraw/zinc/72/11/69/610721169.db2.gz MISISTVSBZENJF-SFHVURJKSA-N 2 2 332.492 0.711 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941404666 610721170 /nfs/dbraw/zinc/72/11/70/610721170.db2.gz MISISTVSBZENJF-SFHVURJKSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946900039 611241753 /nfs/dbraw/zinc/24/17/53/611241753.db2.gz VIDAXSZNNWRYOG-OTWHNJEPSA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946900039 611241754 /nfs/dbraw/zinc/24/17/54/611241754.db2.gz VIDAXSZNNWRYOG-OTWHNJEPSA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)COC3CC[NH+](C)CC3)CC2)C1 ZINC000949503763 612012415 /nfs/dbraw/zinc/01/24/15/612012415.db2.gz KBPIOCGWWKVMNK-UHFFFAOYSA-N 2 2 349.475 0.424 20 30 ECEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)COC3CC[NH+](C)CC3)CC2)C1 ZINC000949503763 612012416 /nfs/dbraw/zinc/01/24/16/612012416.db2.gz KBPIOCGWWKVMNK-UHFFFAOYSA-N 2 2 349.475 0.424 20 30 ECEDLP C#Cc1cccc(NC(=O)C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001167355679 733991346 /nfs/dbraw/zinc/99/13/46/733991346.db2.gz VPJOKPJIPPIJBV-UHFFFAOYSA-N 2 2 339.399 0.668 20 30 ECEDLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078174549 782427936 /nfs/dbraw/zinc/42/79/36/782427936.db2.gz PCOQBYJYAALIRE-IAOVAPTHSA-N 2 2 346.406 0.310 20 30 ECEDLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078174549 782427942 /nfs/dbraw/zinc/42/79/42/782427942.db2.gz PCOQBYJYAALIRE-IAOVAPTHSA-N 2 2 346.406 0.310 20 30 ECEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078174549 782427946 /nfs/dbraw/zinc/42/79/46/782427946.db2.gz PCOQBYJYAALIRE-IAOVAPTHSA-N 2 2 346.406 0.310 20 30 ECEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]2O)C1 ZINC001078174549 782427950 /nfs/dbraw/zinc/42/79/50/782427950.db2.gz PCOQBYJYAALIRE-IAOVAPTHSA-N 2 2 346.406 0.310 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC000972434597 736186017 /nfs/dbraw/zinc/18/60/17/736186017.db2.gz XPUMCCSGWJWCPP-GJZGRUSLSA-N 2 2 331.420 0.272 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC000972434597 736186020 /nfs/dbraw/zinc/18/60/20/736186020.db2.gz XPUMCCSGWJWCPP-GJZGRUSLSA-N 2 2 331.420 0.272 20 30 ECEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001098575053 736482218 /nfs/dbraw/zinc/48/22/18/736482218.db2.gz AAUZTODARHARBG-SFHVURJKSA-N 2 2 344.459 0.603 20 30 ECEDLP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC001098575053 736482220 /nfs/dbraw/zinc/48/22/20/736482220.db2.gz AAUZTODARHARBG-SFHVURJKSA-N 2 2 344.459 0.603 20 30 ECEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149134183 737243471 /nfs/dbraw/zinc/24/34/71/737243471.db2.gz FYKPWMIVOKPGNN-CQSZACIVSA-N 2 2 335.452 0.780 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104840010 740667514 /nfs/dbraw/zinc/66/75/14/740667514.db2.gz SOOGKIONWJKSFN-QLFBSQMISA-N 2 2 345.447 0.164 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)nn1 ZINC001105337007 742440248 /nfs/dbraw/zinc/44/02/48/742440248.db2.gz PEYHJYDZBXKDJO-QGZVFWFLSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)nn1 ZINC001105337007 742440250 /nfs/dbraw/zinc/44/02/50/742440250.db2.gz PEYHJYDZBXKDJO-QGZVFWFLSA-N 2 2 344.463 0.647 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001027191430 743078981 /nfs/dbraw/zinc/07/89/81/743078981.db2.gz MNHVVKQACMRMQZ-HUUCEWRRSA-N 2 2 345.447 0.486 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001027191431 743079287 /nfs/dbraw/zinc/07/92/87/743079287.db2.gz MNHVVKQACMRMQZ-LSDHHAIUSA-N 2 2 345.447 0.486 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000999391603 744671650 /nfs/dbraw/zinc/67/16/50/744671650.db2.gz MHOIZYAUQVQSNE-CABCVRRESA-N 2 2 330.436 0.291 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000999391603 744671654 /nfs/dbraw/zinc/67/16/54/744671654.db2.gz MHOIZYAUQVQSNE-CABCVRRESA-N 2 2 330.436 0.291 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC000983901074 745477158 /nfs/dbraw/zinc/47/71/58/745477158.db2.gz KLYLZOZGCDMFGM-ULQDDVLXSA-N 2 2 341.459 0.867 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC000983901074 745477161 /nfs/dbraw/zinc/47/71/61/745477161.db2.gz KLYLZOZGCDMFGM-ULQDDVLXSA-N 2 2 341.459 0.867 20 30 ECEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)nn1 ZINC001105360990 752059066 /nfs/dbraw/zinc/05/90/66/752059066.db2.gz MHWMMZBHDZPQIX-UHFFFAOYSA-N 2 2 341.419 0.475 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccnn2C)CC1 ZINC001001490868 746428569 /nfs/dbraw/zinc/42/85/69/746428569.db2.gz FEZFJTYZGIKAOB-SFHVURJKSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccnn2C)CC1 ZINC001001490868 746428572 /nfs/dbraw/zinc/42/85/72/746428572.db2.gz FEZFJTYZGIKAOB-SFHVURJKSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001098715398 747127566 /nfs/dbraw/zinc/12/75/66/747127566.db2.gz FTJVHGMCTSHWEY-JKSUJKDBSA-N 2 2 332.452 0.361 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)nn1 ZINC001105342383 747568919 /nfs/dbraw/zinc/56/89/19/747568919.db2.gz AGJSTCNXDSYEGH-WBVHZDCISA-N 2 2 342.447 0.401 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)nn1 ZINC001105342383 747568924 /nfs/dbraw/zinc/56/89/24/747568924.db2.gz AGJSTCNXDSYEGH-WBVHZDCISA-N 2 2 342.447 0.401 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cnnn2C)CC1 ZINC000985476179 748218274 /nfs/dbraw/zinc/21/82/74/748218274.db2.gz ONNAKJQVBXACSO-KRWDZBQOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cnnn2C)CC1 ZINC000985476179 748218278 /nfs/dbraw/zinc/21/82/78/748218278.db2.gz ONNAKJQVBXACSO-KRWDZBQOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2cnnn2C)CC1 ZINC000985476179 748218283 /nfs/dbraw/zinc/21/82/83/748218283.db2.gz ONNAKJQVBXACSO-KRWDZBQOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2cnnn2C)CC1 ZINC000985476179 748218287 /nfs/dbraw/zinc/21/82/87/748218287.db2.gz ONNAKJQVBXACSO-KRWDZBQOSA-N 2 2 344.463 0.336 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)C1=O ZINC001003318012 748423972 /nfs/dbraw/zinc/42/39/72/748423972.db2.gz CPQYPHZJMVLWEO-INIZCTEOSA-N 2 2 345.447 0.559 20 30 ECEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083368817 753704818 /nfs/dbraw/zinc/70/48/18/753704818.db2.gz XQHNDVYOWPHBLU-IKGGRYGDSA-N 2 2 328.416 0.314 20 30 ECEDLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083368817 753704822 /nfs/dbraw/zinc/70/48/22/753704822.db2.gz XQHNDVYOWPHBLU-IKGGRYGDSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083368817 753704829 /nfs/dbraw/zinc/70/48/29/753704829.db2.gz XQHNDVYOWPHBLU-IKGGRYGDSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083368817 753704835 /nfs/dbraw/zinc/70/48/35/753704835.db2.gz XQHNDVYOWPHBLU-IKGGRYGDSA-N 2 2 328.416 0.314 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001098685302 753764673 /nfs/dbraw/zinc/76/46/73/753764673.db2.gz FCXZCVNQNKGVAN-CVEARBPZSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685302 753764676 /nfs/dbraw/zinc/76/46/76/753764676.db2.gz FCXZCVNQNKGVAN-CVEARBPZSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nonc3C)C[C@@H]2C)CC1 ZINC000989828711 754497456 /nfs/dbraw/zinc/49/74/56/754497456.db2.gz HXGDOGBVAUARDH-BBRMVZONSA-N 2 2 345.447 0.802 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ncccn3)C[C@@H]2C)CC1 ZINC000989829263 754498364 /nfs/dbraw/zinc/49/83/64/754498364.db2.gz QDINYYCEHKQSDZ-DOTOQJQBSA-N 2 2 341.459 0.901 20 30 ECEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105667322 755615485 /nfs/dbraw/zinc/61/54/85/755615485.db2.gz QLFRGSUXAPYSDA-RGCFKVTRSA-N 2 2 344.459 0.942 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1(C)C ZINC000996079187 756962187 /nfs/dbraw/zinc/96/21/87/756962187.db2.gz MQJVYWJZRRULKN-IXDOHACOSA-N 2 2 349.475 0.326 20 30 ECEDLP C=CCC[NH+]1CC(n2cc(CNC(=O)CCn3cc[nH+]c3)nn2)C1 ZINC001107190946 757441651 /nfs/dbraw/zinc/44/16/51/757441651.db2.gz JEHYOBXIKHYQKI-UHFFFAOYSA-N 2 2 329.408 0.614 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)CCCC[NH+](C)C)nn2)C1 ZINC001107230636 757940326 /nfs/dbraw/zinc/94/03/26/757940326.db2.gz RRESTCXSFOKGKB-UHFFFAOYSA-N 2 2 332.452 0.506 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001107229041 757990382 /nfs/dbraw/zinc/99/03/82/757990382.db2.gz AAWYRVYUNDXQRR-CQSZACIVSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107229041 757990386 /nfs/dbraw/zinc/99/03/86/757990386.db2.gz AAWYRVYUNDXQRR-CQSZACIVSA-N 2 2 330.436 0.116 20 30 ECEDLP C=CCOCC[NH+]1CC(n2cc(CNC(=O)C[NH+]3CCCC3)nn2)C1 ZINC001107235091 758021240 /nfs/dbraw/zinc/02/12/40/758021240.db2.gz BGYLLUSIPRIRAL-UHFFFAOYSA-N 2 2 348.451 0.049 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)nn2)C1 ZINC001107238083 758028885 /nfs/dbraw/zinc/02/88/85/758028885.db2.gz GJPMHZSJGHJRFU-GASCZTMLSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)nn2)C1 ZINC001107238083 758028891 /nfs/dbraw/zinc/02/88/91/758028891.db2.gz GJPMHZSJGHJRFU-GASCZTMLSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001077125606 758292179 /nfs/dbraw/zinc/29/21/79/758292179.db2.gz YXIIQEZDTORBLQ-HOCLYGCPSA-N 2 2 345.447 0.300 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001077125606 758292186 /nfs/dbraw/zinc/29/21/86/758292186.db2.gz YXIIQEZDTORBLQ-HOCLYGCPSA-N 2 2 345.447 0.300 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001125220166 759954040 /nfs/dbraw/zinc/95/40/40/759954040.db2.gz DFZGCOBMICWEMA-INIZCTEOSA-N 2 2 335.835 0.728 20 30 ECEDLP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046927354 763401340 /nfs/dbraw/zinc/40/13/40/763401340.db2.gz YCFWYSHYNNNANW-KBPBESRZSA-N 2 2 331.407 0.967 20 30 ECEDLP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046927354 763401347 /nfs/dbraw/zinc/40/13/47/763401347.db2.gz YCFWYSHYNNNANW-KBPBESRZSA-N 2 2 331.407 0.967 20 30 ECEDLP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046927354 763401353 /nfs/dbraw/zinc/40/13/53/763401353.db2.gz YCFWYSHYNNNANW-KBPBESRZSA-N 2 2 331.407 0.967 20 30 ECEDLP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046927354 763401358 /nfs/dbraw/zinc/40/13/58/763401358.db2.gz YCFWYSHYNNNANW-KBPBESRZSA-N 2 2 331.407 0.967 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001052035237 763640353 /nfs/dbraw/zinc/64/03/53/763640353.db2.gz FGYQJDAKWLSISG-ROUUACIJSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001052035237 763640359 /nfs/dbraw/zinc/64/03/59/763640359.db2.gz FGYQJDAKWLSISG-ROUUACIJSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001052035237 763640362 /nfs/dbraw/zinc/64/03/62/763640362.db2.gz FGYQJDAKWLSISG-ROUUACIJSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001052035237 763640368 /nfs/dbraw/zinc/64/03/68/763640368.db2.gz FGYQJDAKWLSISG-ROUUACIJSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052081683 763799066 /nfs/dbraw/zinc/79/90/66/763799066.db2.gz FBRFKLBABKZHIZ-GOSISDBHSA-N 2 2 346.519 0.960 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052081683 763799071 /nfs/dbraw/zinc/79/90/71/763799071.db2.gz FBRFKLBABKZHIZ-GOSISDBHSA-N 2 2 346.519 0.960 20 30 ECEDLP C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052108448 763892066 /nfs/dbraw/zinc/89/20/66/763892066.db2.gz MLKIJKGWCWPSPX-QGZVFWFLSA-N 2 2 332.492 0.877 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC001052823721 765184433 /nfs/dbraw/zinc/18/44/33/765184433.db2.gz MPYCPGUUHWIOCJ-HUUCEWRRSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC001052823721 765184437 /nfs/dbraw/zinc/18/44/37/765184437.db2.gz MPYCPGUUHWIOCJ-HUUCEWRRSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)O2 ZINC001053700524 766620027 /nfs/dbraw/zinc/62/00/27/766620027.db2.gz WUQSYHONWGKNBD-CVEARBPZSA-N 2 2 335.448 0.080 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700524 766620031 /nfs/dbraw/zinc/62/00/31/766620031.db2.gz WUQSYHONWGKNBD-CVEARBPZSA-N 2 2 335.448 0.080 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001046075794 766898722 /nfs/dbraw/zinc/89/87/22/766898722.db2.gz FAVABAFQUOPMNQ-OAHLLOKOSA-N 2 2 329.448 0.539 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001046075794 766898733 /nfs/dbraw/zinc/89/87/33/766898733.db2.gz FAVABAFQUOPMNQ-OAHLLOKOSA-N 2 2 329.448 0.539 20 30 ECEDLP CC(C)[C@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)[NH+]1CCCC1 ZINC001046085080 766925964 /nfs/dbraw/zinc/92/59/64/766925964.db2.gz KDHBECQZQQFDEM-QZTJIDSGSA-N 2 2 347.507 0.849 20 30 ECEDLP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001055597688 769220290 /nfs/dbraw/zinc/22/02/90/769220290.db2.gz BGYQDJRDNHULQH-GDBMZVCRSA-N 2 2 349.479 0.327 20 30 ECEDLP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001055597688 769220298 /nfs/dbraw/zinc/22/02/98/769220298.db2.gz BGYQDJRDNHULQH-GDBMZVCRSA-N 2 2 349.479 0.327 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001018783565 769934408 /nfs/dbraw/zinc/93/44/08/769934408.db2.gz QUPMOSKSRBSGAL-KBPBESRZSA-N 2 2 331.420 0.320 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC001020250908 772351984 /nfs/dbraw/zinc/35/19/84/772351984.db2.gz WKEVQFBISRORQL-ZOBUZTSGSA-N 2 2 344.463 0.693 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC001020250908 772351991 /nfs/dbraw/zinc/35/19/91/772351991.db2.gz WKEVQFBISRORQL-ZOBUZTSGSA-N 2 2 344.463 0.693 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001070088881 790564896 /nfs/dbraw/zinc/56/48/96/790564896.db2.gz KEVXWPRYMLAXOP-CVEARBPZSA-N 2 2 343.435 0.860 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001070088881 790564905 /nfs/dbraw/zinc/56/49/05/790564905.db2.gz KEVXWPRYMLAXOP-CVEARBPZSA-N 2 2 343.435 0.860 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001070291960 783798978 /nfs/dbraw/zinc/79/89/78/783798978.db2.gz DAHXARMTFZJKCI-IMJJTQAJSA-N 2 2 343.435 0.798 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070291960 783798983 /nfs/dbraw/zinc/79/89/83/783798983.db2.gz DAHXARMTFZJKCI-IMJJTQAJSA-N 2 2 343.435 0.798 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@@H+](CCF)C1 ZINC001070412481 784004086 /nfs/dbraw/zinc/00/40/86/784004086.db2.gz AXKGWDWXCPYABT-HOCLYGCPSA-N 2 2 347.438 0.882 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[N@H+](CCF)C1 ZINC001070412481 784004092 /nfs/dbraw/zinc/00/40/92/784004092.db2.gz AXKGWDWXCPYABT-HOCLYGCPSA-N 2 2 347.438 0.882 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[NH+](CCF)C1 ZINC001070412481 784004099 /nfs/dbraw/zinc/00/40/99/784004099.db2.gz AXKGWDWXCPYABT-HOCLYGCPSA-N 2 2 347.438 0.882 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@H]1CC[NH+](CCF)C1 ZINC001070412481 784004107 /nfs/dbraw/zinc/00/41/07/784004107.db2.gz AXKGWDWXCPYABT-HOCLYGCPSA-N 2 2 347.438 0.882 20 30 ECEDLP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001071025387 784454753 /nfs/dbraw/zinc/45/47/53/784454753.db2.gz DLQFMBCTZNRZPS-UHFFFAOYSA-N 2 2 333.436 0.500 20 30 ECEDLP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001071025387 784454757 /nfs/dbraw/zinc/45/47/57/784454757.db2.gz DLQFMBCTZNRZPS-UHFFFAOYSA-N 2 2 333.436 0.500 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001071052377 784486099 /nfs/dbraw/zinc/48/60/99/784486099.db2.gz SKHQRXQHDKSFEJ-QAPCUYQASA-N 2 2 330.432 0.961 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001071074617 784520053 /nfs/dbraw/zinc/52/00/53/784520053.db2.gz QKBDNXGAMBSZBI-APWZRJJASA-N 2 2 344.459 0.972 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC#N ZINC001070710573 784579841 /nfs/dbraw/zinc/57/98/41/784579841.db2.gz HSWKTYAVZJOBTF-RRFJBIMHSA-N 2 2 330.436 0.169 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC#N ZINC001070710573 784579845 /nfs/dbraw/zinc/57/98/45/784579845.db2.gz HSWKTYAVZJOBTF-RRFJBIMHSA-N 2 2 330.436 0.169 20 30 ECEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070721103 784595553 /nfs/dbraw/zinc/59/55/53/784595553.db2.gz OLOPKFPANAZCII-OAGGEKHMSA-N 2 2 344.463 0.702 20 30 ECEDLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070721103 784595556 /nfs/dbraw/zinc/59/55/56/784595556.db2.gz OLOPKFPANAZCII-OAGGEKHMSA-N 2 2 344.463 0.702 20 30 ECEDLP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)O2 ZINC001071234311 784800722 /nfs/dbraw/zinc/80/07/22/784800722.db2.gz WZNROJCWSYWMHM-RDTXWAMCSA-N 2 2 330.432 0.976 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)O2 ZINC001071234311 784800727 /nfs/dbraw/zinc/80/07/27/784800727.db2.gz WZNROJCWSYWMHM-RDTXWAMCSA-N 2 2 330.432 0.976 20 30 ECEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001073449055 789855424 /nfs/dbraw/zinc/85/54/24/789855424.db2.gz LMUWPZCZNNBUDV-QGZVFWFLSA-N 2 2 331.460 0.655 20 30 ECEDLP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001073449055 789855429 /nfs/dbraw/zinc/85/54/29/789855429.db2.gz LMUWPZCZNNBUDV-QGZVFWFLSA-N 2 2 331.460 0.655 20 30 ECEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267575952 837827318 /nfs/dbraw/zinc/82/73/18/837827318.db2.gz OJBATJBNXXGXBT-SJORKVTESA-N 2 2 333.480 0.603 20 30 ECEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267575952 837827328 /nfs/dbraw/zinc/82/73/28/837827328.db2.gz OJBATJBNXXGXBT-SJORKVTESA-N 2 2 333.480 0.603 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266321315 835694266 /nfs/dbraw/zinc/69/42/66/835694266.db2.gz OKAGGVPOIGQBOX-OAHLLOKOSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266321315 835694268 /nfs/dbraw/zinc/69/42/68/835694268.db2.gz OKAGGVPOIGQBOX-OAHLLOKOSA-N 2 2 336.480 0.744 20 30 ECEDLP CC[N@@H+](CC#CCOC)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001266393137 835800422 /nfs/dbraw/zinc/80/04/22/835800422.db2.gz WGQOKZWAXKUVHH-QGZVFWFLSA-N 2 2 347.463 0.878 20 30 ECEDLP CC[N@H+](CC#CCOC)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001266393137 835800442 /nfs/dbraw/zinc/80/04/42/835800442.db2.gz WGQOKZWAXKUVHH-QGZVFWFLSA-N 2 2 347.463 0.878 20 30 ECEDLP CC[NH+](CC#CCOC)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001266393137 835800447 /nfs/dbraw/zinc/80/04/47/835800447.db2.gz WGQOKZWAXKUVHH-QGZVFWFLSA-N 2 2 347.463 0.878 20 30 ECEDLP CC[NH+](CC#CCOC)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001266393137 835800458 /nfs/dbraw/zinc/80/04/58/835800458.db2.gz WGQOKZWAXKUVHH-QGZVFWFLSA-N 2 2 347.463 0.878 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1=O ZINC001266748674 836236994 /nfs/dbraw/zinc/23/69/94/836236994.db2.gz KBRYLMHKGWWPBU-GJZGRUSLSA-N 2 2 345.447 0.280 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001266810662 836332923 /nfs/dbraw/zinc/33/29/23/836332923.db2.gz DEGHEFQFXXRMOQ-HZPDHXFCSA-N 2 2 345.447 0.412 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001266881235 836429277 /nfs/dbraw/zinc/42/92/77/836429277.db2.gz UECHKSXUIIZLHE-CABCVRRESA-N 2 2 347.463 0.624 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267019078 836634854 /nfs/dbraw/zinc/63/48/54/836634854.db2.gz AHUUFLITIYHFRC-AWEZNQCLSA-N 2 2 333.436 0.567 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001267066259 836706723 /nfs/dbraw/zinc/70/67/23/836706723.db2.gz CELUBHGVIHRRQN-CABCVRRESA-N 2 2 347.463 0.482 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001267066265 836706867 /nfs/dbraw/zinc/70/68/67/836706867.db2.gz CELUBHGVIHRRQN-HUUCEWRRSA-N 2 2 347.463 0.482 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001267134214 836833736 /nfs/dbraw/zinc/83/37/36/836833736.db2.gz DULXJJDJSKFVEL-DZGCQCFKSA-N 2 2 347.463 0.549 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC(=O)N[C@@H](C)CC)CC1 ZINC001267232603 837037544 /nfs/dbraw/zinc/03/75/44/837037544.db2.gz KGVGRADUXVLQMY-HNNXBMFYSA-N 2 2 336.480 0.294 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC(=O)N[C@@H](C)CC)CC1 ZINC001267232603 837037557 /nfs/dbraw/zinc/03/75/57/837037557.db2.gz KGVGRADUXVLQMY-HNNXBMFYSA-N 2 2 336.480 0.294 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001267268938 837107811 /nfs/dbraw/zinc/10/78/11/837107811.db2.gz IIKRHIXOCCDWGR-CVEARBPZSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001267268938 837107818 /nfs/dbraw/zinc/10/78/18/837107818.db2.gz IIKRHIXOCCDWGR-CVEARBPZSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001267268938 837107823 /nfs/dbraw/zinc/10/78/23/837107823.db2.gz IIKRHIXOCCDWGR-CVEARBPZSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001267268938 837107827 /nfs/dbraw/zinc/10/78/27/837107827.db2.gz IIKRHIXOCCDWGR-CVEARBPZSA-N 2 2 336.480 0.744 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267703313 838301356 /nfs/dbraw/zinc/30/13/56/838301356.db2.gz OJZKRTHTGABIAB-LSDHHAIUSA-N 2 2 345.447 0.179 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267703313 838301366 /nfs/dbraw/zinc/30/13/66/838301366.db2.gz OJZKRTHTGABIAB-LSDHHAIUSA-N 2 2 345.447 0.179 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267703310 838301503 /nfs/dbraw/zinc/30/15/03/838301503.db2.gz OJZKRTHTGABIAB-GJZGRUSLSA-N 2 2 345.447 0.179 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267703310 838301513 /nfs/dbraw/zinc/30/15/13/838301513.db2.gz OJZKRTHTGABIAB-GJZGRUSLSA-N 2 2 345.447 0.179 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267703311 838301730 /nfs/dbraw/zinc/30/17/30/838301730.db2.gz OJZKRTHTGABIAB-HUUCEWRRSA-N 2 2 345.447 0.179 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267703311 838301737 /nfs/dbraw/zinc/30/17/37/838301737.db2.gz OJZKRTHTGABIAB-HUUCEWRRSA-N 2 2 345.447 0.179 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267768673 838508945 /nfs/dbraw/zinc/50/89/45/838508945.db2.gz QNDKZWUTXXYYPU-CVEARBPZSA-N 2 2 348.491 0.531 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267768673 838508950 /nfs/dbraw/zinc/50/89/50/838508950.db2.gz QNDKZWUTXXYYPU-CVEARBPZSA-N 2 2 348.491 0.531 20 30 ECEDLP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267809603 838590520 /nfs/dbraw/zinc/59/05/20/838590520.db2.gz OJJTWGBAJBWYOK-CYBMUJFWSA-N 2 2 329.404 0.963 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001267929970 838810006 /nfs/dbraw/zinc/81/00/06/838810006.db2.gz UOIPNELRHHKEAQ-MGPQQGTHSA-N 2 2 333.436 0.660 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267989735 838934213 /nfs/dbraw/zinc/93/42/13/838934213.db2.gz FNDXGXYEYNZTDK-STQMWFEESA-N 2 2 341.415 0.656 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nccc(C)n1 ZINC001268067996 839259173 /nfs/dbraw/zinc/25/91/73/839259173.db2.gz IBDUYOHOBZVUTA-CVEARBPZSA-N 2 2 329.448 0.819 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nccc(C)n1 ZINC001268067996 839259183 /nfs/dbraw/zinc/25/91/83/839259183.db2.gz IBDUYOHOBZVUTA-CVEARBPZSA-N 2 2 329.448 0.819 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268071182 839267683 /nfs/dbraw/zinc/26/76/83/839267683.db2.gz MFEAMQZNWZMNPQ-UONOGXRCSA-N 2 2 333.436 0.184 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000336888625 268178528 /nfs/dbraw/zinc/17/85/28/268178528.db2.gz KGEMEMKLTMLGIS-MRXNPFEDSA-N 2 2 341.415 0.839 20 30 ECEDLP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329712346 295283288 /nfs/dbraw/zinc/28/32/88/295283288.db2.gz PXSBSPQUUVBWLO-AWEZNQCLSA-N 2 2 344.481 0.323 20 30 ECEDLP NS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000329712346 295283289 /nfs/dbraw/zinc/28/32/89/295283289.db2.gz PXSBSPQUUVBWLO-AWEZNQCLSA-N 2 2 344.481 0.323 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231173 436630545 /nfs/dbraw/zinc/63/05/45/436630545.db2.gz FPYSFXHRBGKFIY-IAGOWNOFSA-N 2 2 335.496 0.849 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231173 436630547 /nfs/dbraw/zinc/63/05/47/436630547.db2.gz FPYSFXHRBGKFIY-IAGOWNOFSA-N 2 2 335.496 0.849 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231020 436630918 /nfs/dbraw/zinc/63/09/18/436630918.db2.gz IKEXLUHOKIPQBA-QGZVFWFLSA-N 2 2 335.496 0.850 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231020 436630919 /nfs/dbraw/zinc/63/09/19/436630919.db2.gz IKEXLUHOKIPQBA-QGZVFWFLSA-N 2 2 335.496 0.850 20 30 ECEDLP C=CCC[C@@H](O)C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000130324782 436835383 /nfs/dbraw/zinc/83/53/83/436835383.db2.gz AAGMIKSVNHFFCC-MRXNPFEDSA-N 2 2 347.463 0.762 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261939875 436897264 /nfs/dbraw/zinc/89/72/64/436897264.db2.gz DHGSVULMPCDXPJ-LSDHHAIUSA-N 2 2 333.436 0.441 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261939875 436897268 /nfs/dbraw/zinc/89/72/68/436897268.db2.gz DHGSVULMPCDXPJ-LSDHHAIUSA-N 2 2 333.436 0.441 20 30 ECEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000266898847 437262141 /nfs/dbraw/zinc/26/21/41/437262141.db2.gz GARBRDNEJHNTEO-MRXNPFEDSA-N 2 2 341.415 0.854 20 30 ECEDLP [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329733223 437406735 /nfs/dbraw/zinc/40/67/35/437406735.db2.gz JLZJENZBCOVAFO-KBPBESRZSA-N 2 2 333.436 0.978 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000329751711 437410116 /nfs/dbraw/zinc/41/01/16/437410116.db2.gz VVOOSGBPRFIGGD-DZGCQCFKSA-N 2 2 329.466 0.481 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000329751711 437410119 /nfs/dbraw/zinc/41/01/19/437410119.db2.gz VVOOSGBPRFIGGD-DZGCQCFKSA-N 2 2 329.466 0.481 20 30 ECEDLP C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1CC(C)(C)O ZINC000329751693 437410266 /nfs/dbraw/zinc/41/02/66/437410266.db2.gz VVBKPSWQWRJEDU-CHWSQXEVSA-N 2 2 335.452 0.958 20 30 ECEDLP C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1CC(C)(C)O ZINC000329751693 437410273 /nfs/dbraw/zinc/41/02/73/437410273.db2.gz VVBKPSWQWRJEDU-CHWSQXEVSA-N 2 2 335.452 0.958 20 30 ECEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330275900 437478234 /nfs/dbraw/zinc/47/82/34/437478234.db2.gz MEDJGOQITRREBB-LSDHHAIUSA-N 2 2 333.436 0.766 20 30 ECEDLP Cn1c[nH+]cc1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000290764363 437526242 /nfs/dbraw/zinc/52/62/42/437526242.db2.gz ZQPIGRCSTGIYMT-ZDUSSCGKSA-N 2 2 334.424 0.801 20 30 ECEDLP C=CC[NH+]1CCC(NS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000361561355 437672185 /nfs/dbraw/zinc/67/21/85/437672185.db2.gz JAQANOZQFJZMMR-UHFFFAOYSA-N 2 2 331.482 0.279 20 30 ECEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N(CCC#N)CCC#N ZINC000371295841 437914049 /nfs/dbraw/zinc/91/40/49/437914049.db2.gz VIFKBWITQPTEFB-BRWVUGGUSA-N 2 2 347.463 0.826 20 30 ECEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N(CCC#N)CCC#N ZINC000371295841 437914052 /nfs/dbraw/zinc/91/40/52/437914052.db2.gz VIFKBWITQPTEFB-BRWVUGGUSA-N 2 2 347.463 0.826 20 30 ECEDLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424135236 437892280 /nfs/dbraw/zinc/89/22/80/437892280.db2.gz OMMNBADHHAXMIM-HNNXBMFYSA-N 2 2 337.468 0.410 20 30 ECEDLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424135236 437892284 /nfs/dbraw/zinc/89/22/84/437892284.db2.gz OMMNBADHHAXMIM-HNNXBMFYSA-N 2 2 337.468 0.410 20 30 ECEDLP C[N@@H+]1CCN(C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)C(=O)C1 ZINC000374730816 438225855 /nfs/dbraw/zinc/22/58/55/438225855.db2.gz JAOODSFECZVNRA-GOSISDBHSA-N 2 2 347.463 0.033 20 30 ECEDLP C[N@H+]1CCN(C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)C(=O)C1 ZINC000374730816 438225859 /nfs/dbraw/zinc/22/58/59/438225859.db2.gz JAOODSFECZVNRA-GOSISDBHSA-N 2 2 347.463 0.033 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC(=O)NCC)CC2)CC1 ZINC000377458835 438312266 /nfs/dbraw/zinc/31/22/66/438312266.db2.gz PQQMJDAQXBZFFO-UHFFFAOYSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC(=O)NCC)CC2)CC1 ZINC000377458835 438312269 /nfs/dbraw/zinc/31/22/69/438312269.db2.gz PQQMJDAQXBZFFO-UHFFFAOYSA-N 2 2 334.464 0.002 20 30 ECEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NCC#N ZINC000352726348 438466930 /nfs/dbraw/zinc/46/69/30/438466930.db2.gz PLXCRSPNXZHPIP-UHFFFAOYSA-N 2 2 329.448 0.376 20 30 ECEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NCC#N ZINC000352726348 438466933 /nfs/dbraw/zinc/46/69/33/438466933.db2.gz PLXCRSPNXZHPIP-UHFFFAOYSA-N 2 2 329.448 0.376 20 30 ECEDLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352784417 438474255 /nfs/dbraw/zinc/47/42/55/438474255.db2.gz OYPLJVULNVUNRZ-KRWDZBQOSA-N 2 2 329.448 0.654 20 30 ECEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352784417 438474259 /nfs/dbraw/zinc/47/42/59/438474259.db2.gz OYPLJVULNVUNRZ-KRWDZBQOSA-N 2 2 329.448 0.654 20 30 ECEDLP N#Cc1csc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000603429296 439259441 /nfs/dbraw/zinc/25/94/41/439259441.db2.gz WECZSSKRIMEFLB-AWEZNQCLSA-N 2 2 335.477 0.901 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000490916687 439312256 /nfs/dbraw/zinc/31/22/56/439312256.db2.gz UMTOIDLZFIFOAC-KRWDZBQOSA-N 2 2 331.464 0.874 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000491126988 439337335 /nfs/dbraw/zinc/33/73/35/439337335.db2.gz VAEWDGRNIXMDCF-UHFFFAOYSA-N 2 2 330.432 0.574 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@](C)(O)c2ccccc2)CC1 ZINC000491487027 439392185 /nfs/dbraw/zinc/39/21/85/439392185.db2.gz ZZHHWIXJNGIOLZ-LJQANCHMSA-N 2 2 329.444 0.603 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@](C)(O)c2ccccc2)CC1 ZINC000491487027 439392192 /nfs/dbraw/zinc/39/21/92/439392192.db2.gz ZZHHWIXJNGIOLZ-LJQANCHMSA-N 2 2 329.444 0.603 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000491704309 439431191 /nfs/dbraw/zinc/43/11/91/439431191.db2.gz IMTGNWHYBBMPNR-KRWDZBQOSA-N 2 2 343.475 0.623 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000491704309 439431193 /nfs/dbraw/zinc/43/11/93/439431193.db2.gz IMTGNWHYBBMPNR-KRWDZBQOSA-N 2 2 343.475 0.623 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000595125842 439657434 /nfs/dbraw/zinc/65/74/34/439657434.db2.gz QTKRZRKEOBPYKQ-UHFFFAOYSA-N 2 2 349.410 0.636 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000595125842 439657437 /nfs/dbraw/zinc/65/74/37/439657437.db2.gz QTKRZRKEOBPYKQ-UHFFFAOYSA-N 2 2 349.410 0.636 20 30 ECEDLP C=CC[C@]1(C(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)CCC[NH2+]1 ZINC000662776012 439886108 /nfs/dbraw/zinc/88/61/08/439886108.db2.gz GHEYORMPYXMEBB-GOSISDBHSA-N 2 2 344.463 0.786 20 30 ECEDLP C=CC[C@]1(C(=O)N2CC[NH+](CCc3cnccn3)CC2)CCC[NH2+]1 ZINC000639003782 440661920 /nfs/dbraw/zinc/66/19/20/440661920.db2.gz JQVFDXHOBMWUQX-GOSISDBHSA-N 2 2 329.448 0.862 20 30 ECEDLP C=CCCn1cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC000657341556 440997809 /nfs/dbraw/zinc/99/78/09/440997809.db2.gz ZNADSBFWPDHXRF-MRXNPFEDSA-N 2 2 334.468 0.887 20 30 ECEDLP C=CCCn1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC000657341556 440997813 /nfs/dbraw/zinc/99/78/13/440997813.db2.gz ZNADSBFWPDHXRF-MRXNPFEDSA-N 2 2 334.468 0.887 20 30 ECEDLP C=CCCn1cc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)nn1 ZINC000657357314 441003346 /nfs/dbraw/zinc/00/33/46/441003346.db2.gz AKSYACXPTMKYTC-UHFFFAOYSA-N 2 2 334.468 0.887 20 30 ECEDLP CC(C)[N@H+]1CC(=NNC(=S)NCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000754254855 579415000 /nfs/dbraw/zinc/41/50/00/579415000.db2.gz QLMXATJSPQUIOF-ZDUSSCGKSA-N 2 2 327.498 0.499 20 30 ECEDLP CC(C)[N@@H+]1CC(=NNC(=S)NCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000754254855 579415002 /nfs/dbraw/zinc/41/50/02/579415002.db2.gz QLMXATJSPQUIOF-ZDUSSCGKSA-N 2 2 327.498 0.499 20 30 ECEDLP C#C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000773311787 579224583 /nfs/dbraw/zinc/22/45/83/579224583.db2.gz OFNVVOUSWGEQGZ-BHYGNILZSA-N 2 2 334.464 0.635 20 30 ECEDLP C#C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCCO1 ZINC000773311787 579224585 /nfs/dbraw/zinc/22/45/85/579224585.db2.gz OFNVVOUSWGEQGZ-BHYGNILZSA-N 2 2 334.464 0.635 20 30 ECEDLP C#C[C@@H]([NH2+]CC1(C[NH2+][C@@H](C#C)[C@@H]2CCCO2)COC1)[C@H]1CCCO1 ZINC000775801784 579271784 /nfs/dbraw/zinc/27/17/84/579271784.db2.gz WJMJDOWBCNPMME-USTZCAOPSA-N 2 2 332.444 0.544 20 30 ECEDLP C#C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000776232977 579278364 /nfs/dbraw/zinc/27/83/64/579278364.db2.gz UUOCCRAZKSPHTD-IRXDYDNUSA-N 2 2 336.480 0.835 20 30 ECEDLP C#C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000776232977 579278365 /nfs/dbraw/zinc/27/83/65/579278365.db2.gz UUOCCRAZKSPHTD-IRXDYDNUSA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000891605896 586181541 /nfs/dbraw/zinc/18/15/41/586181541.db2.gz BRZSIDDHCOGBIT-KRWDZBQOSA-N 2 2 342.443 0.901 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000891605896 586181542 /nfs/dbraw/zinc/18/15/42/586181542.db2.gz BRZSIDDHCOGBIT-KRWDZBQOSA-N 2 2 342.443 0.901 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901727681 586714514 /nfs/dbraw/zinc/71/45/14/586714514.db2.gz HUZIETBQHZOSFC-ZJUUUORDSA-N 2 2 325.210 0.688 20 30 ECEDLP C#C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000852128670 589445381 /nfs/dbraw/zinc/44/53/81/589445381.db2.gz WBDKKIKUWYTAGQ-AEFFLSMTSA-N 2 2 348.491 0.883 20 30 ECEDLP C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000852128670 589445382 /nfs/dbraw/zinc/44/53/82/589445382.db2.gz WBDKKIKUWYTAGQ-AEFFLSMTSA-N 2 2 348.491 0.883 20 30 ECEDLP C#CCNC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856595987 589667834 /nfs/dbraw/zinc/66/78/34/589667834.db2.gz OSPOOPMAZNRVQY-KRWDZBQOSA-N 2 2 330.432 0.736 20 30 ECEDLP C#CCNC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856595987 589667836 /nfs/dbraw/zinc/66/78/36/589667836.db2.gz OSPOOPMAZNRVQY-KRWDZBQOSA-N 2 2 330.432 0.736 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856595987 589667837 /nfs/dbraw/zinc/66/78/37/589667837.db2.gz OSPOOPMAZNRVQY-KRWDZBQOSA-N 2 2 330.432 0.736 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856595987 589667839 /nfs/dbraw/zinc/66/78/39/589667839.db2.gz OSPOOPMAZNRVQY-KRWDZBQOSA-N 2 2 330.432 0.736 20 30 ECEDLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000863750101 590033815 /nfs/dbraw/zinc/03/38/15/590033815.db2.gz BBOWMGLHWUAGPG-CQSZACIVSA-N 2 2 343.431 0.008 20 30 ECEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591113 590327265 /nfs/dbraw/zinc/32/72/65/590327265.db2.gz JTMVJLXQCZLWIR-GOSISDBHSA-N 2 2 335.496 0.753 20 30 ECEDLP C#CCC1(O)CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000883417339 590616671 /nfs/dbraw/zinc/61/66/71/590616671.db2.gz XNLQSUXASXLSSG-MRXNPFEDSA-N 2 2 348.491 0.715 20 30 ECEDLP C#CCC1(O)CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000883417339 590616673 /nfs/dbraw/zinc/61/66/73/590616673.db2.gz XNLQSUXASXLSSG-MRXNPFEDSA-N 2 2 348.491 0.715 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884182820 590765735 /nfs/dbraw/zinc/76/57/35/590765735.db2.gz USESCHKENRTMSY-MJBXVCDLSA-N 2 2 341.452 0.437 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000884182820 590765739 /nfs/dbraw/zinc/76/57/39/590765739.db2.gz USESCHKENRTMSY-MJBXVCDLSA-N 2 2 341.452 0.437 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000884182819 590766087 /nfs/dbraw/zinc/76/60/87/590766087.db2.gz USESCHKENRTMSY-MCIONIFRSA-N 2 2 341.452 0.437 20 30 ECEDLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885985494 590784372 /nfs/dbraw/zinc/78/43/72/590784372.db2.gz JFIONTBYFTVTKV-INIZCTEOSA-N 2 2 336.480 0.917 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000884328622 590806431 /nfs/dbraw/zinc/80/64/31/590806431.db2.gz UQGJTGQKAGWVJV-VNQPRFMTSA-N 2 2 335.448 0.908 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000884328622 590806435 /nfs/dbraw/zinc/80/64/35/590806435.db2.gz UQGJTGQKAGWVJV-VNQPRFMTSA-N 2 2 335.448 0.908 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000884433469 590827284 /nfs/dbraw/zinc/82/72/84/590827284.db2.gz JYDKZQRZMNIZCP-VWYCJHECSA-N 2 2 337.342 0.419 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000887668009 590990020 /nfs/dbraw/zinc/99/00/20/590990020.db2.gz HMMVVFSRVWTHMK-ROUUACIJSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000887668009 590990022 /nfs/dbraw/zinc/99/00/22/590990022.db2.gz HMMVVFSRVWTHMK-ROUUACIJSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000887668009 590990024 /nfs/dbraw/zinc/99/00/24/590990024.db2.gz HMMVVFSRVWTHMK-ROUUACIJSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000887668009 590990026 /nfs/dbraw/zinc/99/00/26/590990026.db2.gz HMMVVFSRVWTHMK-ROUUACIJSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000890360766 591150408 /nfs/dbraw/zinc/15/04/08/591150408.db2.gz BCVWSKBLVPBDKJ-ZWKOTPCHSA-N 2 2 348.491 0.980 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000890360766 591150409 /nfs/dbraw/zinc/15/04/09/591150409.db2.gz BCVWSKBLVPBDKJ-ZWKOTPCHSA-N 2 2 348.491 0.980 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC=C(C)C)C2)CC1 ZINC000941440540 610316769 /nfs/dbraw/zinc/31/67/69/610316769.db2.gz MNJDBORUVKRSDG-IBGZPJMESA-N 2 2 344.503 0.879 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC=C(C)C)C2)CC1 ZINC000941440540 610316771 /nfs/dbraw/zinc/31/67/71/610316771.db2.gz MNJDBORUVKRSDG-IBGZPJMESA-N 2 2 344.503 0.879 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000941470390 610329266 /nfs/dbraw/zinc/32/92/66/610329266.db2.gz DIUHUGXQYOUCHZ-SFHVURJKSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941470390 610329268 /nfs/dbraw/zinc/32/92/68/610329268.db2.gz DIUHUGXQYOUCHZ-SFHVURJKSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)CC1(C)C ZINC000940807926 610373021 /nfs/dbraw/zinc/37/30/21/610373021.db2.gz WKTBJRITCXWHDH-LSDHHAIUSA-N 2 2 334.464 0.047 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)CC1(C)C ZINC000940807926 610373024 /nfs/dbraw/zinc/37/30/24/610373024.db2.gz WKTBJRITCXWHDH-LSDHHAIUSA-N 2 2 334.464 0.047 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC)CC1(C)C ZINC000940807926 610373027 /nfs/dbraw/zinc/37/30/27/610373027.db2.gz WKTBJRITCXWHDH-LSDHHAIUSA-N 2 2 334.464 0.047 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=O)NC)CC1(C)C ZINC000940807926 610373030 /nfs/dbraw/zinc/37/30/30/610373030.db2.gz WKTBJRITCXWHDH-LSDHHAIUSA-N 2 2 334.464 0.047 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000941596014 610390748 /nfs/dbraw/zinc/39/07/48/610390748.db2.gz SLZPASCJOCHIMH-GOSISDBHSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000941596014 610390749 /nfs/dbraw/zinc/39/07/49/610390749.db2.gz SLZPASCJOCHIMH-GOSISDBHSA-N 2 2 332.492 0.711 20 30 ECEDLP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000941357157 610702261 /nfs/dbraw/zinc/70/22/61/610702261.db2.gz MKMCIYXIOOCERP-QGZVFWFLSA-N 2 2 336.480 0.112 20 30 ECEDLP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000941357157 610702263 /nfs/dbraw/zinc/70/22/63/610702263.db2.gz MKMCIYXIOOCERP-QGZVFWFLSA-N 2 2 336.480 0.112 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000954631302 612469177 /nfs/dbraw/zinc/46/91/77/612469177.db2.gz VNMCQJRASFHQSD-HNNXBMFYSA-N 2 2 343.431 0.109 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000954631302 612469180 /nfs/dbraw/zinc/46/91/80/612469180.db2.gz VNMCQJRASFHQSD-HNNXBMFYSA-N 2 2 343.431 0.109 20 30 ECEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167422033 734211237 /nfs/dbraw/zinc/21/12/37/734211237.db2.gz GYXACIRTOKHZJP-CYBMUJFWSA-N 2 2 346.435 0.104 20 30 ECEDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167422033 734211240 /nfs/dbraw/zinc/21/12/40/734211240.db2.gz GYXACIRTOKHZJP-CYBMUJFWSA-N 2 2 346.435 0.104 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC(=O)N2CCCC2)C1 ZINC000971703363 734964080 /nfs/dbraw/zinc/96/40/80/734964080.db2.gz FPJFIHRHSAFVKY-IRXDYDNUSA-N 2 2 346.475 0.239 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC(=O)N2CCCC2)C1 ZINC000971703363 734964084 /nfs/dbraw/zinc/96/40/84/734964084.db2.gz FPJFIHRHSAFVKY-IRXDYDNUSA-N 2 2 346.475 0.239 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cn(C)nc2C)C1 ZINC000971704617 734965810 /nfs/dbraw/zinc/96/58/10/734965810.db2.gz VILJXIGFOQXBNX-ROUUACIJSA-N 2 2 343.475 0.859 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cn(C)nc2C)C1 ZINC000971704617 734965811 /nfs/dbraw/zinc/96/58/11/734965811.db2.gz VILJXIGFOQXBNX-ROUUACIJSA-N 2 2 343.475 0.859 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cn(C)nc2C)C1 ZINC000971704617 734965813 /nfs/dbraw/zinc/96/58/13/734965813.db2.gz VILJXIGFOQXBNX-ROUUACIJSA-N 2 2 343.475 0.859 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)Cc2cn(C)nc2C)C1 ZINC000971704617 734965814 /nfs/dbraw/zinc/96/58/14/734965814.db2.gz VILJXIGFOQXBNX-ROUUACIJSA-N 2 2 343.475 0.859 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2C)C1 ZINC000971704616 734965950 /nfs/dbraw/zinc/96/59/50/734965950.db2.gz VILJXIGFOQXBNX-MSOLQXFVSA-N 2 2 343.475 0.859 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cn(C)nc2C)C1 ZINC000971704616 734965953 /nfs/dbraw/zinc/96/59/53/734965953.db2.gz VILJXIGFOQXBNX-MSOLQXFVSA-N 2 2 343.475 0.859 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cn(C)nc2C)C1 ZINC000971704616 734965956 /nfs/dbraw/zinc/96/59/56/734965956.db2.gz VILJXIGFOQXBNX-MSOLQXFVSA-N 2 2 343.475 0.859 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cn(C)nc2C)C1 ZINC000971704616 734965957 /nfs/dbraw/zinc/96/59/57/734965957.db2.gz VILJXIGFOQXBNX-MSOLQXFVSA-N 2 2 343.475 0.859 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000972439043 736196516 /nfs/dbraw/zinc/19/65/16/736196516.db2.gz SYJPZFNYCXVJNJ-VQIMIIECSA-N 2 2 342.443 0.772 20 30 ECEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000972439043 736196518 /nfs/dbraw/zinc/19/65/18/736196518.db2.gz SYJPZFNYCXVJNJ-VQIMIIECSA-N 2 2 342.443 0.772 20 30 ECEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972518424 736538740 /nfs/dbraw/zinc/53/87/40/736538740.db2.gz IVUQLKFBDJVQCD-FUHWJXTLSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972518424 736538742 /nfs/dbraw/zinc/53/87/42/736538742.db2.gz IVUQLKFBDJVQCD-FUHWJXTLSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972518424 736538744 /nfs/dbraw/zinc/53/87/44/736538744.db2.gz IVUQLKFBDJVQCD-FUHWJXTLSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972518424 736538746 /nfs/dbraw/zinc/53/87/46/736538746.db2.gz IVUQLKFBDJVQCD-FUHWJXTLSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC000972589982 736999450 /nfs/dbraw/zinc/99/94/50/736999450.db2.gz MMPLALXRUBUJMB-SFHVURJKSA-N 2 2 347.463 0.548 20 30 ECEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC000972589982 736999459 /nfs/dbraw/zinc/99/94/59/736999459.db2.gz MMPLALXRUBUJMB-SFHVURJKSA-N 2 2 347.463 0.548 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000972658710 737268678 /nfs/dbraw/zinc/26/86/78/737268678.db2.gz GQBQFUYQHLQVKV-SFHVURJKSA-N 2 2 330.432 0.679 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000972658710 737268683 /nfs/dbraw/zinc/26/86/83/737268683.db2.gz GQBQFUYQHLQVKV-SFHVURJKSA-N 2 2 330.432 0.679 20 30 ECEDLP C=C(Cl)C[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098581916 737326429 /nfs/dbraw/zinc/32/64/29/737326429.db2.gz GFCUJVGBXNPFDR-UHFFFAOYSA-N 2 2 326.828 0.921 20 30 ECEDLP C=C(Cl)C[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098581916 737326435 /nfs/dbraw/zinc/32/64/35/737326435.db2.gz GFCUJVGBXNPFDR-UHFFFAOYSA-N 2 2 326.828 0.921 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001024022038 737626533 /nfs/dbraw/zinc/62/65/33/737626533.db2.gz OTKRTAMMRDDRDY-HOTGVXAUSA-N 2 2 344.463 0.539 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001024022038 737626535 /nfs/dbraw/zinc/62/65/35/737626535.db2.gz OTKRTAMMRDDRDY-HOTGVXAUSA-N 2 2 344.463 0.539 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104840011 740667475 /nfs/dbraw/zinc/66/74/75/740667475.db2.gz SOOGKIONWJKSFN-RBSFLKMASA-N 2 2 345.447 0.164 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn4c[nH+]cc4c3)C2)nn1 ZINC001105276297 741629489 /nfs/dbraw/zinc/62/94/89/741629489.db2.gz GFHMCIBOJROWLM-UHFFFAOYSA-N 2 2 349.398 0.736 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nn1 ZINC001105312570 741730497 /nfs/dbraw/zinc/73/04/97/741730497.db2.gz SGTMHJYYQUPMNU-GJZGRUSLSA-N 2 2 344.463 0.505 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1 ZINC001105312570 741730499 /nfs/dbraw/zinc/73/04/99/741730499.db2.gz SGTMHJYYQUPMNU-GJZGRUSLSA-N 2 2 344.463 0.505 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC001026812584 741867433 /nfs/dbraw/zinc/86/74/33/741867433.db2.gz KTFJSONBUCOMCZ-GJZGRUSLSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)CC1(C)C ZINC000974683010 742011107 /nfs/dbraw/zinc/01/11/07/742011107.db2.gz AOIMOYSRUVGBMU-DLBZAZTESA-N 2 2 343.475 0.807 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)CC1(C)C ZINC000974683010 742011112 /nfs/dbraw/zinc/01/11/12/742011112.db2.gz AOIMOYSRUVGBMU-DLBZAZTESA-N 2 2 343.475 0.807 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cccn2)CC1(C)C ZINC000974683010 742011122 /nfs/dbraw/zinc/01/11/22/742011122.db2.gz AOIMOYSRUVGBMU-DLBZAZTESA-N 2 2 343.475 0.807 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1=O ZINC000997181290 743322879 /nfs/dbraw/zinc/32/28/79/743322879.db2.gz YONDEKNLMZRFEU-MRXNPFEDSA-N 2 2 345.447 0.330 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC000983906968 745488434 /nfs/dbraw/zinc/48/84/34/745488434.db2.gz VWDKUSORVTVQDU-KKUMJFAQSA-N 2 2 331.420 0.460 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC000983906968 745488439 /nfs/dbraw/zinc/48/84/39/745488439.db2.gz VWDKUSORVTVQDU-KKUMJFAQSA-N 2 2 331.420 0.460 20 30 ECEDLP C#CCC[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001168256417 752008096 /nfs/dbraw/zinc/00/80/96/752008096.db2.gz SSJHBJNWNNFOLI-QGZVFWFLSA-N 2 2 333.476 0.997 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ncccn2)CC1 ZINC000985475142 748216048 /nfs/dbraw/zinc/21/60/48/748216048.db2.gz KGGLBUZQVNMWLV-KRWDZBQOSA-N 2 2 341.459 0.997 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ncccn2)CC1 ZINC000985475142 748216053 /nfs/dbraw/zinc/21/60/53/748216053.db2.gz KGGLBUZQVNMWLV-KRWDZBQOSA-N 2 2 341.459 0.997 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2ncccn2)CC1 ZINC000985475142 748216055 /nfs/dbraw/zinc/21/60/55/748216055.db2.gz KGGLBUZQVNMWLV-KRWDZBQOSA-N 2 2 341.459 0.997 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cn(C)nn2)C1 ZINC001029758156 748271082 /nfs/dbraw/zinc/27/10/82/748271082.db2.gz SMUPSCWUJDZJPU-RDJZCZTQSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cn(C)nn2)C1 ZINC001029758156 748271087 /nfs/dbraw/zinc/27/10/87/748271087.db2.gz SMUPSCWUJDZJPU-RDJZCZTQSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cn(C)nn2)C1 ZINC001029758156 748271090 /nfs/dbraw/zinc/27/10/90/748271090.db2.gz SMUPSCWUJDZJPU-RDJZCZTQSA-N 2 2 344.463 0.193 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCC(C)CC3)C2)nn1 ZINC001105347864 750349876 /nfs/dbraw/zinc/34/98/76/750349876.db2.gz OVFOJWXYCNQBSN-UHFFFAOYSA-N 2 2 344.463 0.506 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cn3c[nH+]cc3C)CC2)C1=O ZINC000981625033 750897320 /nfs/dbraw/zinc/89/73/20/750897320.db2.gz PZMXDBFVOBGCQY-MRXNPFEDSA-N 2 2 345.447 0.513 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cn3c[nH+]cc3C)CC2)C1=O ZINC000981625033 750897327 /nfs/dbraw/zinc/89/73/27/750897327.db2.gz PZMXDBFVOBGCQY-MRXNPFEDSA-N 2 2 345.447 0.513 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001007952612 753121378 /nfs/dbraw/zinc/12/13/78/753121378.db2.gz MYTCNJOXZUQSIH-CVEARBPZSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001007952612 753121383 /nfs/dbraw/zinc/12/13/83/753121383.db2.gz MYTCNJOXZUQSIH-CVEARBPZSA-N 2 2 345.447 0.559 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cn(C)nc2C)[C@@H]1C ZINC001088630981 753442619 /nfs/dbraw/zinc/44/26/19/753442619.db2.gz KXSPXILAZTUUNM-NJAFHUGGSA-N 2 2 343.475 0.905 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nc2C)[C@@H]1C ZINC001088630981 753442626 /nfs/dbraw/zinc/44/26/26/753442626.db2.gz KXSPXILAZTUUNM-NJAFHUGGSA-N 2 2 343.475 0.905 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cn(C)nc2C)[C@@H]1C ZINC001088630981 753442635 /nfs/dbraw/zinc/44/26/35/753442635.db2.gz KXSPXILAZTUUNM-NJAFHUGGSA-N 2 2 343.475 0.905 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cn(C)nc2C)[C@@H]1C ZINC001088630981 753442641 /nfs/dbraw/zinc/44/26/41/753442641.db2.gz KXSPXILAZTUUNM-NJAFHUGGSA-N 2 2 343.475 0.905 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cn3cc[nH+]c3C)CC2)C1=O ZINC000989672851 754298354 /nfs/dbraw/zinc/29/83/54/754298354.db2.gz AWYZURYZZITBAO-INIZCTEOSA-N 2 2 345.447 0.513 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)Cn3cc[nH+]c3C)CC2)C1=O ZINC000989672851 754298358 /nfs/dbraw/zinc/29/83/58/754298358.db2.gz AWYZURYZZITBAO-INIZCTEOSA-N 2 2 345.447 0.513 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1O ZINC001083537295 755980673 /nfs/dbraw/zinc/98/06/73/755980673.db2.gz MXOXXPORPFJLIZ-SQNIBIBYSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@@H]1O ZINC001083537295 755980675 /nfs/dbraw/zinc/98/06/75/755980675.db2.gz MXOXXPORPFJLIZ-SQNIBIBYSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@@H]1O ZINC001083537295 755980680 /nfs/dbraw/zinc/98/06/80/755980680.db2.gz MXOXXPORPFJLIZ-SQNIBIBYSA-N 2 2 333.476 0.826 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCCC2)C[C@@H]1O ZINC001083537295 755980683 /nfs/dbraw/zinc/98/06/83/755980683.db2.gz MXOXXPORPFJLIZ-SQNIBIBYSA-N 2 2 333.476 0.826 20 30 ECEDLP C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1 ZINC001107147293 757044618 /nfs/dbraw/zinc/04/46/18/757044618.db2.gz YBPHSVHCCVNJJM-MRXNPFEDSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107147293 757044624 /nfs/dbraw/zinc/04/46/24/757044624.db2.gz YBPHSVHCCVNJJM-MRXNPFEDSA-N 2 2 348.451 0.048 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cscn2)C1 ZINC001051660520 762618434 /nfs/dbraw/zinc/61/84/34/762618434.db2.gz VULDLWYFEGTTCE-HOTGVXAUSA-N 2 2 348.472 0.558 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cscn2)C1 ZINC001051660520 762618440 /nfs/dbraw/zinc/61/84/40/762618440.db2.gz VULDLWYFEGTTCE-HOTGVXAUSA-N 2 2 348.472 0.558 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nocc2C)C1 ZINC001051660534 762618457 /nfs/dbraw/zinc/61/84/57/762618457.db2.gz WCUZUTKDTDNSLF-WBVHZDCISA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nocc2C)C1 ZINC001051660534 762618463 /nfs/dbraw/zinc/61/84/63/762618463.db2.gz WCUZUTKDTDNSLF-WBVHZDCISA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1 ZINC001022220722 758441429 /nfs/dbraw/zinc/44/14/29/758441429.db2.gz LREUQIZRKICQKG-ZNMIVQPWSA-N 2 2 344.463 0.763 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C(C)C)[nH]2)C1 ZINC001022220722 758441433 /nfs/dbraw/zinc/44/14/33/758441433.db2.gz LREUQIZRKICQKG-ZNMIVQPWSA-N 2 2 344.463 0.763 20 30 ECEDLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083573448 758835527 /nfs/dbraw/zinc/83/55/27/758835527.db2.gz JHDKHGLGAYUFAN-KURKYZTESA-N 2 2 342.443 0.704 20 30 ECEDLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083573448 758835536 /nfs/dbraw/zinc/83/55/36/758835536.db2.gz JHDKHGLGAYUFAN-KURKYZTESA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083573448 758835545 /nfs/dbraw/zinc/83/55/45/758835545.db2.gz JHDKHGLGAYUFAN-KURKYZTESA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083573448 758835555 /nfs/dbraw/zinc/83/55/55/758835555.db2.gz JHDKHGLGAYUFAN-KURKYZTESA-N 2 2 342.443 0.704 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001054296207 767903878 /nfs/dbraw/zinc/90/38/78/767903878.db2.gz XKHNLPGFGOGBTF-IMJJTQAJSA-N 2 2 344.463 0.852 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001054296207 767903883 /nfs/dbraw/zinc/90/38/83/767903883.db2.gz XKHNLPGFGOGBTF-IMJJTQAJSA-N 2 2 344.463 0.852 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127298558 767965105 /nfs/dbraw/zinc/96/51/05/767965105.db2.gz ARWZQWLZHUMXSX-CYBMUJFWSA-N 2 2 329.404 0.653 20 30 ECEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051028017 761361337 /nfs/dbraw/zinc/36/13/37/761361337.db2.gz BPOISTOBZLNGOH-BNQMIIOLSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051028017 761361345 /nfs/dbraw/zinc/36/13/45/761361345.db2.gz BPOISTOBZLNGOH-BNQMIIOLSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051028017 761361353 /nfs/dbraw/zinc/36/13/53/761361353.db2.gz BPOISTOBZLNGOH-BNQMIIOLSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051028017 761361360 /nfs/dbraw/zinc/36/13/60/761361360.db2.gz BPOISTOBZLNGOH-BNQMIIOLSA-N 2 2 335.448 0.243 20 30 ECEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)s1 ZINC001051848473 763103664 /nfs/dbraw/zinc/10/36/64/763103664.db2.gz SAJOYVQWWDRIRO-CYBMUJFWSA-N 2 2 345.428 0.903 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)nn1 ZINC001098784249 768116205 /nfs/dbraw/zinc/11/62/05/768116205.db2.gz CIFYPWGUOMEFRN-SJORKVTESA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001098784249 768116206 /nfs/dbraw/zinc/11/62/06/768116206.db2.gz CIFYPWGUOMEFRN-SJORKVTESA-N 2 2 344.463 0.649 20 30 ECEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052035626 763643989 /nfs/dbraw/zinc/64/39/89/763643989.db2.gz LWNLRTOVNQYCQE-IAGOWNOFSA-N 2 2 333.480 0.603 20 30 ECEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052035626 763643993 /nfs/dbraw/zinc/64/39/93/763643993.db2.gz LWNLRTOVNQYCQE-IAGOWNOFSA-N 2 2 333.480 0.603 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001052056567 763728407 /nfs/dbraw/zinc/72/84/07/763728407.db2.gz FQLVYLQWXJXLRU-OALUTQOASA-N 2 2 344.503 0.713 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001052056567 763728414 /nfs/dbraw/zinc/72/84/14/763728414.db2.gz FQLVYLQWXJXLRU-OALUTQOASA-N 2 2 344.503 0.713 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001052056576 763728746 /nfs/dbraw/zinc/72/87/46/763728746.db2.gz FQLVYLQWXJXLRU-RTBURBONSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001052056576 763728751 /nfs/dbraw/zinc/72/87/51/763728751.db2.gz FQLVYLQWXJXLRU-RTBURBONSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071772 763773773 /nfs/dbraw/zinc/77/37/73/763773773.db2.gz ZGQAXQUXPNRABE-OKZBNKHCSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071772 763773775 /nfs/dbraw/zinc/77/37/75/763773775.db2.gz ZGQAXQUXPNRABE-OKZBNKHCSA-N 2 2 332.492 0.568 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081455 763799212 /nfs/dbraw/zinc/79/92/12/763799212.db2.gz BQHNFTIKSOFSMF-ROUUACIJSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081455 763799217 /nfs/dbraw/zinc/79/92/17/763799217.db2.gz BQHNFTIKSOFSMF-ROUUACIJSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081455 763799222 /nfs/dbraw/zinc/79/92/22/763799222.db2.gz BQHNFTIKSOFSMF-ROUUACIJSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081455 763799226 /nfs/dbraw/zinc/79/92/26/763799226.db2.gz BQHNFTIKSOFSMF-ROUUACIJSA-N 2 2 332.492 0.570 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001015090210 763861335 /nfs/dbraw/zinc/86/13/35/763861335.db2.gz PUOJOIQIRJTLCH-JKSUJKDBSA-N 2 2 346.475 0.592 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001015090210 763861346 /nfs/dbraw/zinc/86/13/46/763861346.db2.gz PUOJOIQIRJTLCH-JKSUJKDBSA-N 2 2 346.475 0.592 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001052119346 763936573 /nfs/dbraw/zinc/93/65/73/763936573.db2.gz PLCLELBHHUFJKA-MOPGFXCFSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)CC1 ZINC001052119346 763936576 /nfs/dbraw/zinc/93/65/76/763936576.db2.gz PLCLELBHHUFJKA-MOPGFXCFSA-N 2 2 346.519 0.959 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001047398090 764214289 /nfs/dbraw/zinc/21/42/89/764214289.db2.gz BWZFLMAJQRMHJA-GJZGRUSLSA-N 2 2 335.473 0.950 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001047398090 764214295 /nfs/dbraw/zinc/21/42/95/764214295.db2.gz BWZFLMAJQRMHJA-GJZGRUSLSA-N 2 2 335.473 0.950 20 30 ECEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001106474651 768354060 /nfs/dbraw/zinc/35/40/60/768354060.db2.gz QJHUYYKYVGHFSQ-KBAYOESNSA-N 2 2 333.476 0.805 20 30 ECEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001106474651 768354068 /nfs/dbraw/zinc/35/40/68/768354068.db2.gz QJHUYYKYVGHFSQ-KBAYOESNSA-N 2 2 333.476 0.805 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)O2 ZINC001053585746 766376887 /nfs/dbraw/zinc/37/68/87/766376887.db2.gz KIFWPNCZFBBITM-JKSUJKDBSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)O2 ZINC001053585746 766376898 /nfs/dbraw/zinc/37/68/98/766376898.db2.gz KIFWPNCZFBBITM-JKSUJKDBSA-N 2 2 337.464 0.633 20 30 ECEDLP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547563 766424916 /nfs/dbraw/zinc/42/49/16/766424916.db2.gz OJBWZJMDBZMFEK-HUUCEWRRSA-N 2 2 345.447 0.162 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046028403 766691861 /nfs/dbraw/zinc/69/18/61/766691861.db2.gz BHQXRJUIXUBDCI-DLBZAZTESA-N 2 2 333.480 0.601 20 30 ECEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046028403 766691864 /nfs/dbraw/zinc/69/18/64/766691864.db2.gz BHQXRJUIXUBDCI-DLBZAZTESA-N 2 2 333.480 0.601 20 30 ECEDLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046040671 766748305 /nfs/dbraw/zinc/74/83/05/766748305.db2.gz HFOUEZJUCLCRIO-QZTJIDSGSA-N 2 2 347.507 0.849 20 30 ECEDLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046040671 766748312 /nfs/dbraw/zinc/74/83/12/766748312.db2.gz HFOUEZJUCLCRIO-QZTJIDSGSA-N 2 2 347.507 0.849 20 30 ECEDLP CC1(C)CC[N@H+](CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046064838 766846964 /nfs/dbraw/zinc/84/69/64/766846964.db2.gz WESAPYNSJZSNRT-INIZCTEOSA-N 2 2 333.480 0.460 20 30 ECEDLP CC1(C)CC[N@@H+](CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046064838 766846973 /nfs/dbraw/zinc/84/69/73/766846973.db2.gz WESAPYNSJZSNRT-INIZCTEOSA-N 2 2 333.480 0.460 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046068742 766864899 /nfs/dbraw/zinc/86/48/99/766864899.db2.gz RWNIUCXJERSVFZ-WBVHZDCISA-N 2 2 331.464 0.993 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046068742 766864907 /nfs/dbraw/zinc/86/49/07/766864907.db2.gz RWNIUCXJERSVFZ-WBVHZDCISA-N 2 2 331.464 0.993 20 30 ECEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046086354 766928584 /nfs/dbraw/zinc/92/85/84/766928584.db2.gz WDLYNGHFWNVVMU-IAGOWNOFSA-N 2 2 333.480 0.603 20 30 ECEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046086354 766928585 /nfs/dbraw/zinc/92/85/85/766928585.db2.gz WDLYNGHFWNVVMU-IAGOWNOFSA-N 2 2 333.480 0.603 20 30 ECEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001106574097 768450696 /nfs/dbraw/zinc/45/06/96/768450696.db2.gz ARVASGCBCYTZTB-NUJGCVRESA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574097 768450698 /nfs/dbraw/zinc/45/06/98/768450698.db2.gz ARVASGCBCYTZTB-NUJGCVRESA-N 2 2 333.476 0.947 20 30 ECEDLP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001055540030 769059314 /nfs/dbraw/zinc/05/93/14/769059314.db2.gz GTBOMNUDKVZIFL-UHFFFAOYSA-N 2 2 347.463 0.626 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC001018986181 770485792 /nfs/dbraw/zinc/48/57/92/770485792.db2.gz UMKUURSPKBMJMS-GJZGRUSLSA-N 2 2 330.436 0.086 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC001018986181 770485796 /nfs/dbraw/zinc/48/57/96/770485796.db2.gz UMKUURSPKBMJMS-GJZGRUSLSA-N 2 2 330.436 0.086 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001020045834 772107021 /nfs/dbraw/zinc/10/70/21/772107021.db2.gz NCZJIULEMUMWDX-BRWVUGGUSA-N 2 2 328.416 0.626 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001020045834 772107023 /nfs/dbraw/zinc/10/70/23/772107023.db2.gz NCZJIULEMUMWDX-BRWVUGGUSA-N 2 2 328.416 0.626 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001045218199 775164152 /nfs/dbraw/zinc/16/41/52/775164152.db2.gz KRSSNISUXPTGMV-GJZGRUSLSA-N 2 2 331.420 0.320 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070075733 790521659 /nfs/dbraw/zinc/52/16/59/790521659.db2.gz BZPAFUWLDNDDGB-CVEARBPZSA-N 2 2 343.435 0.562 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](n2ccnn2)C1 ZINC001070075733 790521661 /nfs/dbraw/zinc/52/16/61/790521661.db2.gz BZPAFUWLDNDDGB-CVEARBPZSA-N 2 2 343.435 0.562 20 30 ECEDLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077679411 781494130 /nfs/dbraw/zinc/49/41/30/781494130.db2.gz QSDDDWKSLKPBPX-BMGDILEWSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077679411 781494135 /nfs/dbraw/zinc/49/41/35/781494135.db2.gz QSDDDWKSLKPBPX-BMGDILEWSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077679411 781494139 /nfs/dbraw/zinc/49/41/39/781494139.db2.gz QSDDDWKSLKPBPX-BMGDILEWSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077679411 781494143 /nfs/dbraw/zinc/49/41/43/781494143.db2.gz QSDDDWKSLKPBPX-BMGDILEWSA-N 2 2 342.443 0.561 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001070292548 783799538 /nfs/dbraw/zinc/79/95/38/783799538.db2.gz SIRUOSLHRORFGM-YUELXQCFSA-N 2 2 329.408 0.408 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070292548 783799543 /nfs/dbraw/zinc/79/95/43/783799543.db2.gz SIRUOSLHRORFGM-YUELXQCFSA-N 2 2 329.408 0.408 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001070963576 784244978 /nfs/dbraw/zinc/24/49/78/784244978.db2.gz YCHRFROGIQJJKW-QGZVFWFLSA-N 2 2 348.491 0.555 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001070963576 784244982 /nfs/dbraw/zinc/24/49/82/784244982.db2.gz YCHRFROGIQJJKW-QGZVFWFLSA-N 2 2 348.491 0.555 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](C(C)C)CC1 ZINC001070970546 784269177 /nfs/dbraw/zinc/26/91/77/784269177.db2.gz LAINBDZNPYWXFP-INIZCTEOSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](C(C)C)CC1 ZINC001070970546 784269184 /nfs/dbraw/zinc/26/91/84/784269184.db2.gz LAINBDZNPYWXFP-INIZCTEOSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[NH+](C(C)C)CC1 ZINC001070970546 784269191 /nfs/dbraw/zinc/26/91/91/784269191.db2.gz LAINBDZNPYWXFP-INIZCTEOSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[NH+](C(C)C)CC1 ZINC001070970546 784269195 /nfs/dbraw/zinc/26/91/95/784269195.db2.gz LAINBDZNPYWXFP-INIZCTEOSA-N 2 2 334.464 0.143 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001070970598 784270212 /nfs/dbraw/zinc/27/02/12/784270212.db2.gz NIJIDUIYQULNBL-KRWDZBQOSA-N 2 2 336.480 0.553 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001070970598 784270214 /nfs/dbraw/zinc/27/02/14/784270214.db2.gz NIJIDUIYQULNBL-KRWDZBQOSA-N 2 2 336.480 0.553 20 30 ECEDLP C#CC[NH+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001070601766 784419108 /nfs/dbraw/zinc/41/91/08/784419108.db2.gz UOUPCKUWXLFOOD-XHSDSOJGSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[NH+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001070601766 784419113 /nfs/dbraw/zinc/41/91/13/784419113.db2.gz UOUPCKUWXLFOOD-XHSDSOJGSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCC[NH+]2C)n1 ZINC001070601766 784419118 /nfs/dbraw/zinc/41/91/18/784419118.db2.gz UOUPCKUWXLFOOD-XHSDSOJGSA-N 2 2 345.447 0.638 20 30 ECEDLP C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CCC[NH+]2C)n1 ZINC001070601766 784419123 /nfs/dbraw/zinc/41/91/23/784419123.db2.gz UOUPCKUWXLFOOD-XHSDSOJGSA-N 2 2 345.447 0.638 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1NCC#N ZINC001070697528 784565828 /nfs/dbraw/zinc/56/58/28/784565828.db2.gz HHFFYUZHSHBOJP-HZPDHXFCSA-N 2 2 344.463 0.560 20 30 ECEDLP C#CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C(=O)C1 ZINC001071258970 784865988 /nfs/dbraw/zinc/86/59/88/784865988.db2.gz VKRAYVAICZRYEQ-IAGOWNOFSA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258970 784865995 /nfs/dbraw/zinc/86/59/95/784865995.db2.gz VKRAYVAICZRYEQ-IAGOWNOFSA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258970 784866005 /nfs/dbraw/zinc/86/60/05/784866005.db2.gz VKRAYVAICZRYEQ-IAGOWNOFSA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258970 784866012 /nfs/dbraw/zinc/86/60/12/784866012.db2.gz VKRAYVAICZRYEQ-IAGOWNOFSA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001073670375 786924738 /nfs/dbraw/zinc/92/47/38/786924738.db2.gz HHQGGRDBPXJREI-HOTGVXAUSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001073670375 786924748 /nfs/dbraw/zinc/92/47/48/786924748.db2.gz HHQGGRDBPXJREI-HOTGVXAUSA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670858 786926934 /nfs/dbraw/zinc/92/69/34/786926934.db2.gz QCPIYYSOQGSNMQ-WBVHZDCISA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670858 786926937 /nfs/dbraw/zinc/92/69/37/786926937.db2.gz QCPIYYSOQGSNMQ-WBVHZDCISA-N 2 2 330.432 0.676 20 30 ECEDLP C#CC[NH2+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001075415005 789342868 /nfs/dbraw/zinc/34/28/68/789342868.db2.gz CKTSKHWSINDWNN-CRAIPNDOSA-N 2 2 330.432 0.961 20 30 ECEDLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267573813 837817670 /nfs/dbraw/zinc/81/76/70/837817670.db2.gz ZPPHVTRJWPBQCC-KRWDZBQOSA-N 2 2 335.496 0.706 20 30 ECEDLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267573813 837817679 /nfs/dbraw/zinc/81/76/79/837817679.db2.gz ZPPHVTRJWPBQCC-KRWDZBQOSA-N 2 2 335.496 0.706 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC(=O)N(CC)CC)CC1 ZINC001266362276 835774394 /nfs/dbraw/zinc/77/43/94/835774394.db2.gz BKWLHSUXTUCHLQ-UHFFFAOYSA-N 2 2 336.480 0.248 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1cc(C)ncn1 ZINC001266394377 835802516 /nfs/dbraw/zinc/80/25/16/835802516.db2.gz NYYQPIIQIRCNDH-KRWDZBQOSA-N 2 2 329.448 0.821 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1cc(C)ncn1 ZINC001266394377 835802522 /nfs/dbraw/zinc/80/25/22/835802522.db2.gz NYYQPIIQIRCNDH-KRWDZBQOSA-N 2 2 329.448 0.821 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cc(C)ncn1 ZINC001266394377 835802529 /nfs/dbraw/zinc/80/25/29/835802529.db2.gz NYYQPIIQIRCNDH-KRWDZBQOSA-N 2 2 329.448 0.821 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cc(C)ncn1 ZINC001266394377 835802536 /nfs/dbraw/zinc/80/25/36/835802536.db2.gz NYYQPIIQIRCNDH-KRWDZBQOSA-N 2 2 329.448 0.821 20 30 ECEDLP C=CCNC(=O)C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001266614303 836048295 /nfs/dbraw/zinc/04/82/95/836048295.db2.gz ZXKVVJKYKWYXTL-DLBZAZTESA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[N@@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001266614303 836048310 /nfs/dbraw/zinc/04/83/10/836048310.db2.gz ZXKVVJKYKWYXTL-DLBZAZTESA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001266614303 836048321 /nfs/dbraw/zinc/04/83/21/836048321.db2.gz ZXKVVJKYKWYXTL-DLBZAZTESA-N 2 2 348.491 0.886 20 30 ECEDLP C=CCNC(=O)C[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001266614303 836048327 /nfs/dbraw/zinc/04/83/27/836048327.db2.gz ZXKVVJKYKWYXTL-DLBZAZTESA-N 2 2 348.491 0.886 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)COC ZINC001266844760 836371121 /nfs/dbraw/zinc/37/11/21/836371121.db2.gz PLMBKWXEABBARJ-IKGGRYGDSA-N 2 2 337.464 0.062 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)COC ZINC001266844760 836371125 /nfs/dbraw/zinc/37/11/25/836371125.db2.gz PLMBKWXEABBARJ-IKGGRYGDSA-N 2 2 337.464 0.062 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1C[C@H](O)COC ZINC001266844760 836371133 /nfs/dbraw/zinc/37/11/33/836371133.db2.gz PLMBKWXEABBARJ-IKGGRYGDSA-N 2 2 337.464 0.062 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1C[C@H](O)COC ZINC001266844760 836371137 /nfs/dbraw/zinc/37/11/37/836371137.db2.gz PLMBKWXEABBARJ-IKGGRYGDSA-N 2 2 337.464 0.062 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nccn1C(F)F ZINC001266948656 836512572 /nfs/dbraw/zinc/51/25/72/836512572.db2.gz FRSHTRPVWARZNJ-OLZOCXBDSA-N 2 2 339.390 0.970 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nccn1C(F)F ZINC001266948656 836512574 /nfs/dbraw/zinc/51/25/74/836512574.db2.gz FRSHTRPVWARZNJ-OLZOCXBDSA-N 2 2 339.390 0.970 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001267012487 836613829 /nfs/dbraw/zinc/61/38/29/836613829.db2.gz PQZUAPWDWBUOKL-GJZGRUSLSA-N 2 2 345.447 0.255 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCO[C@@H]2CCOC2)C1 ZINC001267744138 838447004 /nfs/dbraw/zinc/44/70/04/838447004.db2.gz FRKGEHKTJIAEPK-KURKYZTESA-N 2 2 349.475 0.470 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO[C@@H]2CCOC2)C1 ZINC001267744138 838447008 /nfs/dbraw/zinc/44/70/08/838447008.db2.gz FRKGEHKTJIAEPK-KURKYZTESA-N 2 2 349.475 0.470 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO[C@@H]2CCOC2)C1 ZINC001267744138 838447013 /nfs/dbraw/zinc/44/70/13/838447013.db2.gz FRKGEHKTJIAEPK-KURKYZTESA-N 2 2 349.475 0.470 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO[C@@H]2CCOC2)C1 ZINC001267744138 838447014 /nfs/dbraw/zinc/44/70/14/838447014.db2.gz FRKGEHKTJIAEPK-KURKYZTESA-N 2 2 349.475 0.470 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267767217 838502793 /nfs/dbraw/zinc/50/27/93/838502793.db2.gz NGDBJLOYMKMENS-CVEARBPZSA-N 2 2 330.432 0.628 20 30 ECEDLP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267767217 838502796 /nfs/dbraw/zinc/50/27/96/838502796.db2.gz NGDBJLOYMKMENS-CVEARBPZSA-N 2 2 330.432 0.628 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970419 790259792 /nfs/dbraw/zinc/25/97/92/790259792.db2.gz FDKHSAOICMQPPN-SJORKVTESA-N 2 2 349.398 0.604 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001069970419 790259797 /nfs/dbraw/zinc/25/97/97/790259797.db2.gz FDKHSAOICMQPPN-SJORKVTESA-N 2 2 349.398 0.604 20 30 ECEDLP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000420006701 209274301 /nfs/dbraw/zinc/27/43/01/209274301.db2.gz RERKYDHHNHIPRE-CQSZACIVSA-N 2 2 343.431 0.056 20 30 ECEDLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000329707432 285053230 /nfs/dbraw/zinc/05/32/30/285053230.db2.gz KMUWTGBCEKQLGH-BZUAXINKSA-N 2 2 340.468 0.416 20 30 ECEDLP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C1 ZINC000329707432 285053231 /nfs/dbraw/zinc/05/32/31/285053231.db2.gz KMUWTGBCEKQLGH-BZUAXINKSA-N 2 2 340.468 0.416 20 30 ECEDLP Cn1c[nH+]c(CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)c1 ZINC000496873480 255138071 /nfs/dbraw/zinc/13/80/71/255138071.db2.gz HUEGIGNRJGUVEN-CQSZACIVSA-N 2 2 348.451 0.843 20 30 ECEDLP OCC[C@H]1CSCC[NH+]1CC#CC[N@H+]1CCSC[C@@H]1CCO ZINC000341886583 285267483 /nfs/dbraw/zinc/26/74/83/285267483.db2.gz GQCYATHWRCXGMP-HOTGVXAUSA-N 2 2 344.546 0.589 20 30 ECEDLP OCC[C@H]1CSCC[NH+]1CC#CC[N@@H+]1CCSC[C@@H]1CCO ZINC000341886583 285267486 /nfs/dbraw/zinc/26/74/86/285267486.db2.gz GQCYATHWRCXGMP-HOTGVXAUSA-N 2 2 344.546 0.589 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000528390980 268297418 /nfs/dbraw/zinc/29/74/18/268297418.db2.gz QMPQLJGMSWVUJJ-AEFFLSMTSA-N 2 2 345.443 0.952 20 30 ECEDLP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000528390980 268297420 /nfs/dbraw/zinc/29/74/20/268297420.db2.gz QMPQLJGMSWVUJJ-AEFFLSMTSA-N 2 2 345.443 0.952 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000077987094 436258860 /nfs/dbraw/zinc/25/88/60/436258860.db2.gz RAWMQWSFUOIKAX-QGZVFWFLSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000077987094 436258862 /nfs/dbraw/zinc/25/88/62/436258862.db2.gz RAWMQWSFUOIKAX-QGZVFWFLSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC000081665407 436352880 /nfs/dbraw/zinc/35/28/80/436352880.db2.gz UKTJJKBRYJGXNC-UHFFFAOYSA-N 2 2 348.491 0.343 20 30 ECEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)CC1 ZINC000245951872 436769968 /nfs/dbraw/zinc/76/99/68/436769968.db2.gz ZPYGPNZQSPOWLU-FUHWJXTLSA-N 2 2 335.496 0.753 20 30 ECEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)CC1 ZINC000245951872 436769970 /nfs/dbraw/zinc/76/99/70/436769970.db2.gz ZPYGPNZQSPOWLU-FUHWJXTLSA-N 2 2 335.496 0.753 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)CC1 ZINC000155388491 436794998 /nfs/dbraw/zinc/79/49/98/436794998.db2.gz ORIQPQWFCCPXNY-UHFFFAOYSA-N 2 2 336.480 0.294 20 30 ECEDLP C[NH+]=C(NCCN1CCOCC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000170912466 436960739 /nfs/dbraw/zinc/96/07/39/436960739.db2.gz LMOGZMQPNNIVHR-UHFFFAOYSA-N 2 2 343.435 0.265 20 30 ECEDLP COc1ccc(NC(=[NH2+])NC[C@@H](O)C[NH+]2CCOCC2)cc1OC ZINC000264115245 437016102 /nfs/dbraw/zinc/01/61/02/437016102.db2.gz PPNOUGGFUARXHM-CYBMUJFWSA-N 2 2 338.408 0.124 20 30 ECEDLP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@H+](C)CCOC)CC1 ZINC000303987074 437157942 /nfs/dbraw/zinc/15/79/42/437157942.db2.gz VEIMKZZCWMPAND-UHFFFAOYSA-N 2 2 329.445 0.090 20 30 ECEDLP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@@H+](C)CCOC)CC1 ZINC000303987074 437157944 /nfs/dbraw/zinc/15/79/44/437157944.db2.gz VEIMKZZCWMPAND-UHFFFAOYSA-N 2 2 329.445 0.090 20 30 ECEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000329390081 437362723 /nfs/dbraw/zinc/36/27/23/437362723.db2.gz USYMCQMPSYHJEE-OAHLLOKOSA-N 2 2 325.501 0.999 20 30 ECEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000329390081 437362724 /nfs/dbraw/zinc/36/27/24/437362724.db2.gz USYMCQMPSYHJEE-OAHLLOKOSA-N 2 2 325.501 0.999 20 30 ECEDLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329620683 437392478 /nfs/dbraw/zinc/39/24/78/437392478.db2.gz RICPUYMEJDSLQM-CHWSQXEVSA-N 2 2 335.452 0.958 20 30 ECEDLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329620683 437392480 /nfs/dbraw/zinc/39/24/80/437392480.db2.gz RICPUYMEJDSLQM-CHWSQXEVSA-N 2 2 335.452 0.958 20 30 ECEDLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329620683 437392482 /nfs/dbraw/zinc/39/24/82/437392482.db2.gz RICPUYMEJDSLQM-CHWSQXEVSA-N 2 2 335.452 0.958 20 30 ECEDLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329620683 437392483 /nfs/dbraw/zinc/39/24/83/437392483.db2.gz RICPUYMEJDSLQM-CHWSQXEVSA-N 2 2 335.452 0.958 20 30 ECEDLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000330322547 437482554 /nfs/dbraw/zinc/48/25/54/437482554.db2.gz SOPAVXWNPLUJIX-UHFFFAOYSA-N 2 2 343.497 0.881 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000329994192 437443368 /nfs/dbraw/zinc/44/33/68/437443368.db2.gz MADQHHQRXFRTIX-DMZKTXOQSA-N 2 2 330.498 0.379 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000329994192 437443372 /nfs/dbraw/zinc/44/33/72/437443372.db2.gz MADQHHQRXFRTIX-DMZKTXOQSA-N 2 2 330.498 0.379 20 30 ECEDLP CC(C)N1C[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1=O ZINC000330495776 437531132 /nfs/dbraw/zinc/53/11/32/437531132.db2.gz WZIZIJIXYJRZDY-AWEZNQCLSA-N 2 2 339.484 0.525 20 30 ECEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000424136605 437891317 /nfs/dbraw/zinc/89/13/17/437891317.db2.gz NWPYAGDFUUFVCB-INIZCTEOSA-N 2 2 340.431 1.000 20 30 ECEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000347719105 437939676 /nfs/dbraw/zinc/93/96/76/437939676.db2.gz GYQIIHWFLPZXLD-INIZCTEOSA-N 2 2 338.452 0.029 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378600842 438407313 /nfs/dbraw/zinc/40/73/13/438407313.db2.gz QTUFJDSQDFINNZ-UHFFFAOYSA-N 2 2 336.480 0.649 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000378600842 438407316 /nfs/dbraw/zinc/40/73/16/438407316.db2.gz QTUFJDSQDFINNZ-UHFFFAOYSA-N 2 2 336.480 0.649 20 30 ECEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378602188 438408304 /nfs/dbraw/zinc/40/83/04/438408304.db2.gz WQFXBYLHUZFPHK-GOSISDBHSA-N 2 2 349.479 0.279 20 30 ECEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000378602188 438408305 /nfs/dbraw/zinc/40/83/05/438408305.db2.gz WQFXBYLHUZFPHK-GOSISDBHSA-N 2 2 349.479 0.279 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369359604 438460698 /nfs/dbraw/zinc/46/06/98/438460698.db2.gz RVMQCAKNCWQDOM-CABCVRRESA-N 2 2 337.468 0.099 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369359604 438460702 /nfs/dbraw/zinc/46/07/02/438460702.db2.gz RVMQCAKNCWQDOM-CABCVRRESA-N 2 2 337.468 0.099 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)C2([NH+]3CCN(C)CC3)CCCC2)CC1 ZINC000369953731 438534087 /nfs/dbraw/zinc/53/40/87/438534087.db2.gz ZZATYBXWNONAFG-UHFFFAOYSA-N 2 2 332.492 0.714 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000497217112 438780482 /nfs/dbraw/zinc/78/04/82/438780482.db2.gz AKYJYRANPRKZRW-AWEZNQCLSA-N 2 2 340.468 0.772 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000497217112 438780484 /nfs/dbraw/zinc/78/04/84/438780484.db2.gz AKYJYRANPRKZRW-AWEZNQCLSA-N 2 2 340.468 0.772 20 30 ECEDLP C[NH+](C)C1(CNC[C@H](O)C[N@H+](C)CCC#N)Cc2ccccc2C1 ZINC000564855041 438879059 /nfs/dbraw/zinc/87/90/59/438879059.db2.gz VPJORNCUEIOYJF-SFHVURJKSA-N 2 2 330.476 0.882 20 30 ECEDLP C[NH+](C)C1(CNC[C@H](O)C[N@@H+](C)CCC#N)Cc2ccccc2C1 ZINC000564855041 438879066 /nfs/dbraw/zinc/87/90/66/438879066.db2.gz VPJORNCUEIOYJF-SFHVURJKSA-N 2 2 330.476 0.882 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000592526839 439244941 /nfs/dbraw/zinc/24/49/41/439244941.db2.gz NYCXZGKLUPTQBC-UHFFFAOYSA-N 2 2 346.479 0.898 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CCCO)c2ccccc2)CC1 ZINC000490916411 439312502 /nfs/dbraw/zinc/31/25/02/439312502.db2.gz SCXYEUMPASJHTM-GOSISDBHSA-N 2 2 329.444 0.867 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000490933564 439314440 /nfs/dbraw/zinc/31/44/40/439314440.db2.gz DSQAMHZGGZZTFE-IZHWHUGBSA-N 2 2 347.484 0.852 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)NCCCC)C2)CC1 ZINC000490841200 439302061 /nfs/dbraw/zinc/30/20/61/439302061.db2.gz SJJZRGXKKOINLF-KRWDZBQOSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCCCC)C2)CC1 ZINC000490841200 439302066 /nfs/dbraw/zinc/30/20/66/439302066.db2.gz SJJZRGXKKOINLF-KRWDZBQOSA-N 2 2 348.491 0.392 20 30 ECEDLP C[NH+](C)CCN1CC[N@H+](C[C@H](O)COc2ccccc2C#N)CC1=O ZINC000528533554 439347148 /nfs/dbraw/zinc/34/71/48/439347148.db2.gz KTAMJVLNGNRNPR-INIZCTEOSA-N 2 2 346.431 0.004 20 30 ECEDLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)CC1=O ZINC000528533554 439347151 /nfs/dbraw/zinc/34/71/51/439347151.db2.gz KTAMJVLNGNRNPR-INIZCTEOSA-N 2 2 346.431 0.004 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000491326093 439367327 /nfs/dbraw/zinc/36/73/27/439367327.db2.gz JVXWETZMEPZKNV-JQHSSLGASA-N 2 2 331.460 0.701 20 30 ECEDLP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000570081486 439389415 /nfs/dbraw/zinc/38/94/15/439389415.db2.gz BFFLTSFWECKVCP-IBGZPJMESA-N 2 2 346.475 0.815 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)C2)CC1 ZINC000530335882 439499079 /nfs/dbraw/zinc/49/90/79/439499079.db2.gz DPLQBSXTDAVUIK-JKSUJKDBSA-N 2 2 333.480 0.649 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)C2)CC1 ZINC000530335882 439499084 /nfs/dbraw/zinc/49/90/84/439499084.db2.gz DPLQBSXTDAVUIK-JKSUJKDBSA-N 2 2 333.480 0.649 20 30 ECEDLP Cc1ncc(S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C#N ZINC000594822266 439621816 /nfs/dbraw/zinc/62/18/16/439621816.db2.gz UQVAMRDUGBTNGD-UHFFFAOYSA-N 2 2 339.465 0.424 20 30 ECEDLP Cc1ncc(S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C#N ZINC000594822266 439621819 /nfs/dbraw/zinc/62/18/19/439621819.db2.gz UQVAMRDUGBTNGD-UHFFFAOYSA-N 2 2 339.465 0.424 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)CCOCC1 ZINC000600746920 439698638 /nfs/dbraw/zinc/69/86/38/439698638.db2.gz YMCKIONALBEFSD-JKSUJKDBSA-N 2 2 325.453 0.494 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CCOCC1 ZINC000600746920 439698641 /nfs/dbraw/zinc/69/86/41/439698641.db2.gz YMCKIONALBEFSD-JKSUJKDBSA-N 2 2 325.453 0.494 20 30 ECEDLP C[NH+]1CCN(c2ncc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)cn2)CC1 ZINC000755813661 579439441 /nfs/dbraw/zinc/43/94/41/579439441.db2.gz GAMJPFTYSGHFMJ-GASCZTMLSA-N 2 2 342.451 0.422 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558939 578327364 /nfs/dbraw/zinc/32/73/64/578327364.db2.gz FCWLRZUIDQENIA-ROUUACIJSA-N 3 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558939 578327365 /nfs/dbraw/zinc/32/73/65/578327365.db2.gz FCWLRZUIDQENIA-ROUUACIJSA-N 3 2 332.492 0.711 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000732558939 578327366 /nfs/dbraw/zinc/32/73/66/578327366.db2.gz FCWLRZUIDQENIA-ROUUACIJSA-N 3 2 332.492 0.711 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000732558939 578327367 /nfs/dbraw/zinc/32/73/67/578327367.db2.gz FCWLRZUIDQENIA-ROUUACIJSA-N 3 2 332.492 0.711 20 30 ECEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCCC(=O)OC(C)(C)C)cn2)CC1 ZINC000783868899 578746943 /nfs/dbraw/zinc/74/69/43/578746943.db2.gz MDWOUPGOMGUYBU-UHFFFAOYSA-N 2 2 348.451 0.884 20 30 ECEDLP NC(=[NH+]OCCC1OCCO1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000767547974 579111155 /nfs/dbraw/zinc/11/11/55/579111155.db2.gz KBBGWKRPLYKJJO-UHFFFAOYSA-N 2 2 335.404 0.919 20 30 ECEDLP C#C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCO1 ZINC000775788661 579271238 /nfs/dbraw/zinc/27/12/38/579271238.db2.gz ITQNDNOZJGRBTK-DLBZAZTESA-N 2 2 342.443 0.891 20 30 ECEDLP C#C[C@@H]([NH2+]CC1(C[NH2+][C@@H](C#C)[C@H]2CCCO2)COC1)[C@@H]1CCCO1 ZINC000775801782 579271746 /nfs/dbraw/zinc/27/17/46/579271746.db2.gz WJMJDOWBCNPMME-FZDBZEDMSA-N 2 2 332.444 0.544 20 30 ECEDLP CCn1ncc(CO[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000902226602 586725833 /nfs/dbraw/zinc/72/58/33/586725833.db2.gz QMBDASKGFIXTNU-UHFFFAOYSA-N 2 2 344.419 0.967 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(C#N)cn1 ZINC000907280362 587032360 /nfs/dbraw/zinc/03/23/60/587032360.db2.gz UQSIPMCMEFHMOS-UHFFFAOYSA-N 2 2 325.438 0.115 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000111661445 589561965 /nfs/dbraw/zinc/56/19/65/589561965.db2.gz QGKFQGXTRCDWLH-IBGZPJMESA-N 2 2 340.471 0.753 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCCC[NH+]1CCOCC1 ZINC000876725132 590404334 /nfs/dbraw/zinc/40/43/34/590404334.db2.gz NCZGEMUTHKCEFB-GOSISDBHSA-N 2 2 342.443 0.974 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884178589 590764150 /nfs/dbraw/zinc/76/41/50/590764150.db2.gz PLLAQNASCDKXTN-HOTGVXAUSA-N 2 2 331.416 0.824 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884178589 590764152 /nfs/dbraw/zinc/76/41/52/590764152.db2.gz PLLAQNASCDKXTN-HOTGVXAUSA-N 2 2 331.416 0.824 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000884204729 590773959 /nfs/dbraw/zinc/77/39/59/590773959.db2.gz CMXFEWFAXDADFB-YOEHRIQHSA-N 2 2 345.443 0.996 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000884204729 590773962 /nfs/dbraw/zinc/77/39/62/590773962.db2.gz CMXFEWFAXDADFB-YOEHRIQHSA-N 2 2 345.443 0.996 20 30 ECEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886043332 590789054 /nfs/dbraw/zinc/78/90/54/590789054.db2.gz AFGARMRKSCZJFM-HOTGVXAUSA-N 2 2 334.464 0.670 20 30 ECEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886043332 590789057 /nfs/dbraw/zinc/78/90/57/590789057.db2.gz AFGARMRKSCZJFM-HOTGVXAUSA-N 2 2 334.464 0.670 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CCC1 ZINC000886081149 590792593 /nfs/dbraw/zinc/79/25/93/590792593.db2.gz JJPNHCADJORAQE-HZPDHXFCSA-N 2 2 334.464 0.845 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CCC1 ZINC000886081149 590792595 /nfs/dbraw/zinc/79/25/95/590792595.db2.gz JJPNHCADJORAQE-HZPDHXFCSA-N 2 2 334.464 0.845 20 30 ECEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](Cc3ccncc3)CC1)C2 ZINC000884305341 590799887 /nfs/dbraw/zinc/79/98/87/590799887.db2.gz TUCIBHQMRABXMB-HFCFLWKCSA-N 2 2 339.443 0.865 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000884436001 590828422 /nfs/dbraw/zinc/82/84/22/590828422.db2.gz QTVWWTJQZZZRLV-AWEZNQCLSA-N 2 2 339.436 0.146 20 30 ECEDLP C#Cc1ccc(NC(=O)CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000931487678 611545159 /nfs/dbraw/zinc/54/51/59/611545159.db2.gz GDPMPVDTZBCUSF-UHFFFAOYSA-N 2 2 342.443 0.702 20 30 ECEDLP C#Cc1ccc(NC(=O)CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000931487678 611545160 /nfs/dbraw/zinc/54/51/60/611545160.db2.gz GDPMPVDTZBCUSF-UHFFFAOYSA-N 2 2 342.443 0.702 20 30 ECEDLP C#CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000917006858 609957377 /nfs/dbraw/zinc/95/73/77/609957377.db2.gz HTDZASDHLBTCDT-HOTGVXAUSA-N 2 2 336.480 0.835 20 30 ECEDLP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC000941464771 610333682 /nfs/dbraw/zinc/33/36/82/610333682.db2.gz KVZISNGJLVCBRU-INIZCTEOSA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[NH+]1CC(N2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC000941537924 610357333 /nfs/dbraw/zinc/35/73/33/610357333.db2.gz QVALNYVCWMEYFX-UHFFFAOYSA-N 2 2 332.448 0.969 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC000941531665 610362900 /nfs/dbraw/zinc/36/29/00/610362900.db2.gz CYVLEEXAIBEBBE-KRWDZBQOSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941531665 610362903 /nfs/dbraw/zinc/36/29/03/610362903.db2.gz CYVLEEXAIBEBBE-KRWDZBQOSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC000941587837 610397395 /nfs/dbraw/zinc/39/73/95/610397395.db2.gz WIRMIGQJCYRVLI-INIZCTEOSA-N 2 2 329.448 0.686 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCn3c[nH+]cc3C1)CCO2 ZINC000949124431 611862902 /nfs/dbraw/zinc/86/29/02/611862902.db2.gz YQNWLRIYWAKOFS-INIZCTEOSA-N 2 2 342.443 0.772 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC000950723900 611864284 /nfs/dbraw/zinc/86/42/84/611864284.db2.gz BRQZCIFTLBKNRX-VQHPVUNQSA-N 2 2 348.491 0.387 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC000950723900 611864286 /nfs/dbraw/zinc/86/42/86/611864286.db2.gz BRQZCIFTLBKNRX-VQHPVUNQSA-N 2 2 348.491 0.387 20 30 ECEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971996832 735481596 /nfs/dbraw/zinc/48/15/96/735481596.db2.gz ICJGSLHXFUMLTB-BBWFWOEESA-N 2 2 335.448 0.032 20 30 ECEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971996832 735481598 /nfs/dbraw/zinc/48/15/98/735481598.db2.gz ICJGSLHXFUMLTB-BBWFWOEESA-N 2 2 335.448 0.032 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069979749 790273230 /nfs/dbraw/zinc/27/32/30/790273230.db2.gz MGRVJMCMHNQUML-CVEARBPZSA-N 2 2 337.387 0.767 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069979749 790273234 /nfs/dbraw/zinc/27/32/34/790273234.db2.gz MGRVJMCMHNQUML-CVEARBPZSA-N 2 2 337.387 0.767 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331516 733797769 /nfs/dbraw/zinc/79/77/69/733797769.db2.gz OCCFJMDLNHGDNK-ZDUSSCGKSA-N 2 2 333.436 0.519 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)CC1 ZINC000970792253 733943208 /nfs/dbraw/zinc/94/32/08/733943208.db2.gz HGWSDPQYVKNUAP-CZUORRHYSA-N 2 2 344.463 0.710 20 30 ECEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000972409063 736141148 /nfs/dbraw/zinc/14/11/48/736141148.db2.gz NXIUHXDCLZDIBI-FUHWJXTLSA-N 2 2 347.463 0.303 20 30 ECEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000972409063 736141151 /nfs/dbraw/zinc/14/11/51/736141151.db2.gz NXIUHXDCLZDIBI-FUHWJXTLSA-N 2 2 347.463 0.303 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC001024022013 737626408 /nfs/dbraw/zinc/62/64/08/737626408.db2.gz OLLPAKWZQRHJIY-HOTGVXAUSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC001024022013 737626409 /nfs/dbraw/zinc/62/64/09/737626409.db2.gz OLLPAKWZQRHJIY-HOTGVXAUSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)nn1 ZINC001105275278 741621387 /nfs/dbraw/zinc/62/13/87/741621387.db2.gz JMYGBJNVWRHQGL-KRWDZBQOSA-N 2 2 344.463 0.505 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)nn1 ZINC001105275278 741621388 /nfs/dbraw/zinc/62/13/88/741621388.db2.gz JMYGBJNVWRHQGL-KRWDZBQOSA-N 2 2 344.463 0.505 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001105326781 741803504 /nfs/dbraw/zinc/80/35/04/741803504.db2.gz GEGZIWCGUDSHLC-AWEZNQCLSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCn2cccn2)CC1(C)C ZINC000974683012 742010772 /nfs/dbraw/zinc/01/07/72/742010772.db2.gz AOIMOYSRUVGBMU-IRXDYDNUSA-N 2 2 343.475 0.807 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCn2cccn2)CC1(C)C ZINC000974683012 742010774 /nfs/dbraw/zinc/01/07/74/742010774.db2.gz AOIMOYSRUVGBMU-IRXDYDNUSA-N 2 2 343.475 0.807 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCn2cccn2)CC1(C)C ZINC000974683012 742010782 /nfs/dbraw/zinc/01/07/82/742010782.db2.gz AOIMOYSRUVGBMU-IRXDYDNUSA-N 2 2 343.475 0.807 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC001026981425 742246867 /nfs/dbraw/zinc/24/68/67/742246867.db2.gz OZVNUBYGMHHNSQ-HZPDHXFCSA-N 2 2 345.447 0.498 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)o2)CC1 ZINC000997832830 743842887 /nfs/dbraw/zinc/84/28/87/743842887.db2.gz WTKMMIAJUXKIIL-INIZCTEOSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)o2)CC1 ZINC000997832830 743842894 /nfs/dbraw/zinc/84/28/94/743842894.db2.gz WTKMMIAJUXKIIL-INIZCTEOSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)cn2)C1 ZINC000998923171 744407864 /nfs/dbraw/zinc/40/78/64/744407864.db2.gz OXQIMDNXYYTIAG-JCYILVPMSA-N 2 2 341.459 0.962 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncc(C)cn2)C1 ZINC000998923171 744407865 /nfs/dbraw/zinc/40/78/65/744407865.db2.gz OXQIMDNXYYTIAG-JCYILVPMSA-N 2 2 341.459 0.962 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC000999467623 744712785 /nfs/dbraw/zinc/71/27/85/744712785.db2.gz DCPXJUZGFQQGIV-PESDSKBTSA-N 2 2 331.420 0.318 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncccn2)C1 ZINC000983907778 745489744 /nfs/dbraw/zinc/48/97/44/745489744.db2.gz ZVOJZZYJXVUIBX-JYJNAYRXSA-N 2 2 327.432 0.559 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ncccn2)C1 ZINC000983907778 745489748 /nfs/dbraw/zinc/48/97/48/745489748.db2.gz ZVOJZZYJXVUIBX-JYJNAYRXSA-N 2 2 327.432 0.559 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001001492525 746430623 /nfs/dbraw/zinc/43/06/23/746430623.db2.gz RKKCOIYEQBNCPW-KRWDZBQOSA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC001001492525 746430625 /nfs/dbraw/zinc/43/06/25/746430625.db2.gz RKKCOIYEQBNCPW-KRWDZBQOSA-N 2 2 346.475 0.191 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1=O ZINC000981953152 751326997 /nfs/dbraw/zinc/32/69/97/751326997.db2.gz HAVJQVLAJREWAN-IAGOWNOFSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1=O ZINC000981953152 751327002 /nfs/dbraw/zinc/32/70/02/751327002.db2.gz HAVJQVLAJREWAN-IAGOWNOFSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1=O ZINC000981953152 751327009 /nfs/dbraw/zinc/32/70/09/751327009.db2.gz HAVJQVLAJREWAN-IAGOWNOFSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1=O ZINC000981953152 751327015 /nfs/dbraw/zinc/32/70/15/751327015.db2.gz HAVJQVLAJREWAN-IAGOWNOFSA-N 2 2 348.491 0.792 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[N@@H+](C)CCC)C2)nn1 ZINC001105365349 752445539 /nfs/dbraw/zinc/44/55/39/752445539.db2.gz NERHYCGWDWKJAD-UHFFFAOYSA-N 2 2 332.452 0.506 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001105365349 752445543 /nfs/dbraw/zinc/44/55/43/752445543.db2.gz NERHYCGWDWKJAD-UHFFFAOYSA-N 2 2 332.452 0.506 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C(C)(C)[N@@H+](C)CC)nn2)C1 ZINC001107182100 757316692 /nfs/dbraw/zinc/31/66/92/757316692.db2.gz OFTYGNLCKVDZRD-UHFFFAOYSA-N 2 2 332.452 0.505 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C(C)(C)[N@H+](C)CC)nn2)C1 ZINC001107182100 757316699 /nfs/dbraw/zinc/31/66/99/757316699.db2.gz OFTYGNLCKVDZRD-UHFFFAOYSA-N 2 2 332.452 0.505 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001011314657 757490134 /nfs/dbraw/zinc/49/01/34/757490134.db2.gz BCOMCOAXRRJHMA-INIZCTEOSA-N 2 2 343.431 0.042 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001011314657 757490140 /nfs/dbraw/zinc/49/01/40/757490140.db2.gz BCOMCOAXRRJHMA-INIZCTEOSA-N 2 2 343.431 0.042 20 30 ECEDLP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003338 757663004 /nfs/dbraw/zinc/66/30/04/757663004.db2.gz IPOQSABDQPVVIW-JZXOWHBKSA-N 2 2 331.460 0.653 20 30 ECEDLP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003338 757663009 /nfs/dbraw/zinc/66/30/09/757663009.db2.gz IPOQSABDQPVVIW-JZXOWHBKSA-N 2 2 331.460 0.653 20 30 ECEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003338 757663015 /nfs/dbraw/zinc/66/30/15/757663015.db2.gz IPOQSABDQPVVIW-JZXOWHBKSA-N 2 2 331.460 0.653 20 30 ECEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003338 757663017 /nfs/dbraw/zinc/66/30/17/757663017.db2.gz IPOQSABDQPVVIW-JZXOWHBKSA-N 2 2 331.460 0.653 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001077260833 758638600 /nfs/dbraw/zinc/63/86/00/758638600.db2.gz XUAQTWIYRBUNIX-KBRIMQKVSA-N 2 2 332.448 0.951 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001077260833 758638604 /nfs/dbraw/zinc/63/86/04/758638604.db2.gz XUAQTWIYRBUNIX-KBRIMQKVSA-N 2 2 332.448 0.951 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001077260833 758638607 /nfs/dbraw/zinc/63/86/07/758638607.db2.gz XUAQTWIYRBUNIX-KBRIMQKVSA-N 2 2 332.448 0.951 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001077260833 758638612 /nfs/dbraw/zinc/63/86/12/758638612.db2.gz XUAQTWIYRBUNIX-KBRIMQKVSA-N 2 2 332.448 0.951 20 30 ECEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031063 763630806 /nfs/dbraw/zinc/63/08/06/763630806.db2.gz DGBOICIXNMEKLQ-GBESFXJTSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031063 763630811 /nfs/dbraw/zinc/63/08/11/763630811.db2.gz DGBOICIXNMEKLQ-GBESFXJTSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001052105878 763877819 /nfs/dbraw/zinc/87/78/19/763877819.db2.gz SXAMOJFOPKAQNH-LJQANCHMSA-N 2 2 346.519 0.959 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001015296621 764325014 /nfs/dbraw/zinc/32/50/14/764325014.db2.gz XBZZARZFKVOBKQ-GJZGRUSLSA-N 2 2 331.420 0.169 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001015296621 764325021 /nfs/dbraw/zinc/32/50/21/764325021.db2.gz XBZZARZFKVOBKQ-GJZGRUSLSA-N 2 2 331.420 0.169 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001047434882 764335704 /nfs/dbraw/zinc/33/57/04/764335704.db2.gz ANFSXJADEKTVJP-PVAVHDDUSA-N 2 2 332.448 0.915 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001047434882 764335706 /nfs/dbraw/zinc/33/57/06/764335706.db2.gz ANFSXJADEKTVJP-PVAVHDDUSA-N 2 2 332.448 0.915 20 30 ECEDLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047627831 764925049 /nfs/dbraw/zinc/92/50/49/764925049.db2.gz XGVGSSADFIORTQ-RCBQFDQVSA-N 2 2 348.472 0.575 20 30 ECEDLP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047627831 764925054 /nfs/dbraw/zinc/92/50/54/764925054.db2.gz XGVGSSADFIORTQ-RCBQFDQVSA-N 2 2 348.472 0.575 20 30 ECEDLP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1C[NH+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047627831 764925062 /nfs/dbraw/zinc/92/50/62/764925062.db2.gz XGVGSSADFIORTQ-RCBQFDQVSA-N 2 2 348.472 0.575 20 30 ECEDLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1C[NH+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001047627831 764925066 /nfs/dbraw/zinc/92/50/66/764925066.db2.gz XGVGSSADFIORTQ-RCBQFDQVSA-N 2 2 348.472 0.575 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001016261268 765997676 /nfs/dbraw/zinc/99/76/76/765997676.db2.gz WGHXOTNRMSIWTF-CABCVRRESA-N 2 2 331.420 0.169 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001016261268 765997679 /nfs/dbraw/zinc/99/76/79/765997679.db2.gz WGHXOTNRMSIWTF-CABCVRRESA-N 2 2 331.420 0.169 20 30 ECEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212253253 766487579 /nfs/dbraw/zinc/48/75/79/766487579.db2.gz APOLCHLWHVFQPJ-BRWVUGGUSA-N 2 2 337.464 0.324 20 30 ECEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212253253 766487585 /nfs/dbraw/zinc/48/75/85/766487585.db2.gz APOLCHLWHVFQPJ-BRWVUGGUSA-N 2 2 337.464 0.324 20 30 ECEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212253253 766487595 /nfs/dbraw/zinc/48/75/95/766487595.db2.gz APOLCHLWHVFQPJ-BRWVUGGUSA-N 2 2 337.464 0.324 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)O2 ZINC001053649741 766512284 /nfs/dbraw/zinc/51/22/84/766512284.db2.gz VLEPWEWDOILNHD-HOTGVXAUSA-N 2 2 337.464 0.631 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649741 766512289 /nfs/dbraw/zinc/51/22/89/766512289.db2.gz VLEPWEWDOILNHD-HOTGVXAUSA-N 2 2 337.464 0.631 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC001046040228 766745571 /nfs/dbraw/zinc/74/55/71/766745571.db2.gz HHCAROBGSDWAIY-IAGOWNOFSA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)C1 ZINC001046040228 766745574 /nfs/dbraw/zinc/74/55/74/766745574.db2.gz HHCAROBGSDWAIY-IAGOWNOFSA-N 2 2 343.475 0.850 20 30 ECEDLP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001046049152 766783130 /nfs/dbraw/zinc/78/31/30/766783130.db2.gz LCFTZYOLMKVECA-KRWDZBQOSA-N 2 2 329.448 0.515 20 30 ECEDLP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001046049152 766783133 /nfs/dbraw/zinc/78/31/33/766783133.db2.gz LCFTZYOLMKVECA-KRWDZBQOSA-N 2 2 329.448 0.515 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046076214 766902561 /nfs/dbraw/zinc/90/25/61/766902561.db2.gz KOUOYEWLAGCMIJ-MRXNPFEDSA-N 2 2 329.448 0.204 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046076214 766902568 /nfs/dbraw/zinc/90/25/68/766902568.db2.gz KOUOYEWLAGCMIJ-MRXNPFEDSA-N 2 2 329.448 0.204 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C13CCC[NH+](CCC1)C3)CO2 ZINC001053843508 766996998 /nfs/dbraw/zinc/99/69/98/766996998.db2.gz OTAAEZVNLWDMLV-INIZCTEOSA-N 2 2 331.460 0.845 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053903904 767308908 /nfs/dbraw/zinc/30/89/08/767308908.db2.gz ALPBWLDJICSAPL-JKSUJKDBSA-N 2 2 337.464 0.631 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053903904 767308914 /nfs/dbraw/zinc/30/89/14/767308914.db2.gz ALPBWLDJICSAPL-JKSUJKDBSA-N 2 2 337.464 0.631 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053905199 767316622 /nfs/dbraw/zinc/31/66/22/767316622.db2.gz YVZZHZDOPHUOIJ-HZPDHXFCSA-N 2 2 335.448 0.078 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053905199 767316627 /nfs/dbraw/zinc/31/66/27/767316627.db2.gz YVZZHZDOPHUOIJ-HZPDHXFCSA-N 2 2 335.448 0.078 20 30 ECEDLP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001055567831 769133645 /nfs/dbraw/zinc/13/36/45/769133645.db2.gz PZQWCDCUBSWKNL-ZDUSSCGKSA-N 2 2 346.435 0.199 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC000993851177 769753064 /nfs/dbraw/zinc/75/30/64/769753064.db2.gz ARXMHVBGDHGOJT-UHFFFAOYSA-N 2 2 343.431 0.015 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001018985713 770483920 /nfs/dbraw/zinc/48/39/20/770483920.db2.gz AKQCHNXXWDQQTK-KKUMJFAQSA-N 2 2 330.436 0.164 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001018985713 770483925 /nfs/dbraw/zinc/48/39/25/770483925.db2.gz AKQCHNXXWDQQTK-KKUMJFAQSA-N 2 2 330.436 0.164 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ncccn3)C2)CC1 ZINC001019813751 771828584 /nfs/dbraw/zinc/82/85/84/771828584.db2.gz LNDGRFNQTLHDDR-INIZCTEOSA-N 2 2 327.432 0.512 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001020250301 772349635 /nfs/dbraw/zinc/34/96/35/772349635.db2.gz AKZHGWJMRIKQTN-MXAVVETBSA-N 2 2 331.420 0.773 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnc(C)o2)C1 ZINC001020250301 772349639 /nfs/dbraw/zinc/34/96/39/772349639.db2.gz AKZHGWJMRIKQTN-MXAVVETBSA-N 2 2 331.420 0.773 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2nnc(C)o2)CC1 ZINC001045321373 775408992 /nfs/dbraw/zinc/40/89/92/775408992.db2.gz NMTRQMRDSBSXDI-INIZCTEOSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)C[C@H]1C ZINC001079879327 777012994 /nfs/dbraw/zinc/01/29/94/777012994.db2.gz MTZQJOCLFVBFBI-NXHRZFHOSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1C ZINC001079879327 777012999 /nfs/dbraw/zinc/01/29/99/777012999.db2.gz MTZQJOCLFVBFBI-NXHRZFHOSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1C ZINC001079879327 777013006 /nfs/dbraw/zinc/01/30/06/777013006.db2.gz MTZQJOCLFVBFBI-NXHRZFHOSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCOCC2)C[C@H]1C ZINC001079879327 777013010 /nfs/dbraw/zinc/01/30/10/777013010.db2.gz MTZQJOCLFVBFBI-NXHRZFHOSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001079129758 780789929 /nfs/dbraw/zinc/78/99/29/780789929.db2.gz FIQSOIYGFHWEPA-IPMKNSEASA-N 2 2 341.455 0.788 20 30 ECEDLP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079129758 780789934 /nfs/dbraw/zinc/78/99/34/780789934.db2.gz FIQSOIYGFHWEPA-IPMKNSEASA-N 2 2 341.455 0.788 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079129758 780789939 /nfs/dbraw/zinc/78/99/39/780789939.db2.gz FIQSOIYGFHWEPA-IPMKNSEASA-N 2 2 341.455 0.788 20 30 ECEDLP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079129758 780789947 /nfs/dbraw/zinc/78/99/47/780789947.db2.gz FIQSOIYGFHWEPA-IPMKNSEASA-N 2 2 341.455 0.788 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680483 781498981 /nfs/dbraw/zinc/49/89/81/781498981.db2.gz JDKMFTCIQQJPPT-CKEIUWERSA-N 2 2 325.428 0.384 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680483 781498992 /nfs/dbraw/zinc/49/89/92/781498992.db2.gz JDKMFTCIQQJPPT-CKEIUWERSA-N 2 2 325.428 0.384 20 30 ECEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001077680483 781498994 /nfs/dbraw/zinc/49/89/94/781498994.db2.gz JDKMFTCIQQJPPT-CKEIUWERSA-N 2 2 325.428 0.384 20 30 ECEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680483 781498999 /nfs/dbraw/zinc/49/89/99/781498999.db2.gz JDKMFTCIQQJPPT-CKEIUWERSA-N 2 2 325.428 0.384 20 30 ECEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001071022185 784445261 /nfs/dbraw/zinc/44/52/61/784445261.db2.gz YKHZVKKHFNAQRU-UHFFFAOYSA-N 2 2 336.480 0.699 20 30 ECEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001071022185 784445267 /nfs/dbraw/zinc/44/52/67/784445267.db2.gz YKHZVKKHFNAQRU-UHFFFAOYSA-N 2 2 336.480 0.699 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1c1cncn1C ZINC001070714869 784585984 /nfs/dbraw/zinc/58/59/84/784585984.db2.gz KGNCPUSIRINWCS-HZPDHXFCSA-N 2 2 340.431 0.304 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073748559 787121921 /nfs/dbraw/zinc/12/19/21/787121921.db2.gz GYQGQHLHMNBPHG-WMZOPIPTSA-N 2 2 344.459 0.984 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073748559 787121932 /nfs/dbraw/zinc/12/19/32/787121932.db2.gz GYQGQHLHMNBPHG-WMZOPIPTSA-N 2 2 344.459 0.984 20 30 ECEDLP C#CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001075415169 789343452 /nfs/dbraw/zinc/34/34/52/789343452.db2.gz FSIDZWISVUVKLU-HKUYNNGSSA-N 2 2 344.459 0.972 20 30 ECEDLP COCC#CC[N@H+](C)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001266277122 835602225 /nfs/dbraw/zinc/60/22/25/835602225.db2.gz OEQOPLPQKYHYBQ-MRXNPFEDSA-N 2 2 333.436 0.488 20 30 ECEDLP COCC#CC[N@@H+](C)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001266277122 835602230 /nfs/dbraw/zinc/60/22/30/835602230.db2.gz OEQOPLPQKYHYBQ-MRXNPFEDSA-N 2 2 333.436 0.488 20 30 ECEDLP COCC#CC[NH+](C)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001266277122 835602234 /nfs/dbraw/zinc/60/22/34/835602234.db2.gz OEQOPLPQKYHYBQ-MRXNPFEDSA-N 2 2 333.436 0.488 20 30 ECEDLP COCC#CC[NH+](C)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001266277122 835602238 /nfs/dbraw/zinc/60/22/38/835602238.db2.gz OEQOPLPQKYHYBQ-MRXNPFEDSA-N 2 2 333.436 0.488 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266348210 835742140 /nfs/dbraw/zinc/74/21/40/835742140.db2.gz XSJMKEVVTAOUMP-KRWDZBQOSA-N 2 2 342.443 0.302 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266348210 835742148 /nfs/dbraw/zinc/74/21/48/835742148.db2.gz XSJMKEVVTAOUMP-KRWDZBQOSA-N 2 2 342.443 0.302 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001266749752 836239522 /nfs/dbraw/zinc/23/95/22/836239522.db2.gz WPGNNSZRYMPBBZ-KBPBESRZSA-N 2 2 333.436 0.184 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001266885100 836432249 /nfs/dbraw/zinc/43/22/49/836432249.db2.gz CAZXLGRTWPODRR-HUUCEWRRSA-N 2 2 333.436 0.545 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267048616 836677288 /nfs/dbraw/zinc/67/72/88/836677288.db2.gz YSEQKBVZIJYGOV-CABCVRRESA-N 2 2 345.447 0.186 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001267050850 836683201 /nfs/dbraw/zinc/68/32/01/836683201.db2.gz UXBJBUVBSKXSOC-MRXNPFEDSA-N 2 2 342.443 0.808 20 30 ECEDLP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC(=O)NCC#N ZINC001267250300 837067770 /nfs/dbraw/zinc/06/77/70/837067770.db2.gz IGJVUHRFLGFHKO-OAHLLOKOSA-N 2 2 337.468 0.329 20 30 ECEDLP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC(=O)NCC#N ZINC001267250300 837067775 /nfs/dbraw/zinc/06/77/75/837067775.db2.gz IGJVUHRFLGFHKO-OAHLLOKOSA-N 2 2 337.468 0.329 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267768539 838507712 /nfs/dbraw/zinc/50/77/12/838507712.db2.gz PNXKZDUOGXHWRM-OAHLLOKOSA-N 2 2 334.464 0.450 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267768539 838507717 /nfs/dbraw/zinc/50/77/17/838507717.db2.gz PNXKZDUOGXHWRM-OAHLLOKOSA-N 2 2 334.464 0.450 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000528560013 268298574 /nfs/dbraw/zinc/29/85/74/268298574.db2.gz FUROZHSQFHNCEV-ZWKOTPCHSA-N 2 2 345.443 0.829 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000528560013 268298576 /nfs/dbraw/zinc/29/85/76/268298576.db2.gz FUROZHSQFHNCEV-ZWKOTPCHSA-N 2 2 345.443 0.829 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330533589 279224308 /nfs/dbraw/zinc/22/43/08/279224308.db2.gz QRHHTCWFKKUYPM-KURKYZTESA-N 2 2 349.523 0.952 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330533589 279224313 /nfs/dbraw/zinc/22/43/13/279224313.db2.gz QRHHTCWFKKUYPM-KURKYZTESA-N 2 2 349.523 0.952 20 30 ECEDLP COC[C@H](C)NC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304807902 293017658 /nfs/dbraw/zinc/01/76/58/293017658.db2.gz UCZRCVCZDFSLMB-HNNXBMFYSA-N 3 2 325.501 0.876 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000077987089 436259495 /nfs/dbraw/zinc/25/94/95/436259495.db2.gz RAWMQWSFUOIKAX-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000077987089 436259498 /nfs/dbraw/zinc/25/94/98/436259498.db2.gz RAWMQWSFUOIKAX-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cn2ccccc2[nH+]1 ZINC000104159468 436557395 /nfs/dbraw/zinc/55/73/95/436557395.db2.gz BCEQJQSZZGKPKP-UHFFFAOYSA-N 3 2 330.436 0.503 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370670 436611457 /nfs/dbraw/zinc/61/14/57/436611457.db2.gz CEZYEQIWVSMTSF-GJZGRUSLSA-N 2 2 337.468 0.099 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370670 436611461 /nfs/dbraw/zinc/61/14/61/436611461.db2.gz CEZYEQIWVSMTSF-GJZGRUSLSA-N 2 2 337.468 0.099 20 30 ECEDLP C[NH+]=C(NCCS(C)(=O)=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261996357 436899384 /nfs/dbraw/zinc/89/93/84/436899384.db2.gz SNIKABUSFAKEQE-OLZOCXBDSA-N 2 2 327.454 0.386 20 30 ECEDLP COC[C@H](C)NC(=[NH2+])NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000264117800 437017671 /nfs/dbraw/zinc/01/76/71/437017671.db2.gz TXRQTEFTJQZPEK-HNNXBMFYSA-N 2 2 349.479 0.756 20 30 ECEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccs1 ZINC000264124042 437017692 /nfs/dbraw/zinc/01/76/92/437017692.db2.gz RTMAIJKWTXXLNN-AWEZNQCLSA-N 3 2 339.509 0.977 20 30 ECEDLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000304513094 437158742 /nfs/dbraw/zinc/15/87/42/437158742.db2.gz XSORTIIEANFJHK-UKRRQHHQSA-N 2 2 334.420 0.108 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)o1 ZINC000286771160 437128213 /nfs/dbraw/zinc/12/82/13/437128213.db2.gz WJEYNKDZHOPSDF-UHFFFAOYSA-N 2 2 340.449 0.798 20 30 ECEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2C[C@@H]3COC[C@H](C2)O3)CC1 ZINC000328698393 437252030 /nfs/dbraw/zinc/25/20/30/437252030.db2.gz LSZRZTXGKQOMRY-GASCZTMLSA-N 2 2 326.441 0.026 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1=O ZINC000337199429 437339537 /nfs/dbraw/zinc/33/95/37/437339537.db2.gz AYOAVEGVHOIBAY-MRXNPFEDSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1=O ZINC000337199429 437339539 /nfs/dbraw/zinc/33/95/39/437339539.db2.gz AYOAVEGVHOIBAY-MRXNPFEDSA-N 2 2 334.464 0.448 20 30 ECEDLP CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1C[C@@H](C)O ZINC000329735307 437407159 /nfs/dbraw/zinc/40/71/59/437407159.db2.gz KVVBIHUOPGFKLM-MGPQQGTHSA-N 2 2 335.452 0.958 20 30 ECEDLP CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1C[C@@H](C)O ZINC000329735307 437407160 /nfs/dbraw/zinc/40/71/60/437407160.db2.gz KVVBIHUOPGFKLM-MGPQQGTHSA-N 2 2 335.452 0.958 20 30 ECEDLP CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1C[C@@H](C)O ZINC000329735307 437407161 /nfs/dbraw/zinc/40/71/61/437407161.db2.gz KVVBIHUOPGFKLM-MGPQQGTHSA-N 2 2 335.452 0.958 20 30 ECEDLP CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1C[C@@H](C)O ZINC000329735307 437407164 /nfs/dbraw/zinc/40/71/64/437407164.db2.gz KVVBIHUOPGFKLM-MGPQQGTHSA-N 2 2 335.452 0.958 20 30 ECEDLP CN(C)C(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000289468166 437413522 /nfs/dbraw/zinc/41/35/22/437413522.db2.gz WRNFKOINTBMWRJ-UHFFFAOYSA-N 2 2 334.420 0.368 20 30 ECEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000330523836 437536620 /nfs/dbraw/zinc/53/66/20/437536620.db2.gz PKBGMLXEUWFDQD-RHSMWYFYSA-N 2 2 332.452 0.985 20 30 ECEDLP C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000330625598 437571279 /nfs/dbraw/zinc/57/12/79/437571279.db2.gz HSDDCGGHMUCMCO-IAGOWNOFSA-N 2 2 335.496 0.706 20 30 ECEDLP C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000330625598 437571284 /nfs/dbraw/zinc/57/12/84/437571284.db2.gz HSDDCGGHMUCMCO-IAGOWNOFSA-N 2 2 335.496 0.706 20 30 ECEDLP CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000330955522 437657072 /nfs/dbraw/zinc/65/70/72/437657072.db2.gz UBQSOKBYYDUZFD-CQSZACIVSA-N 2 2 325.457 0.183 20 30 ECEDLP CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000330955522 437657075 /nfs/dbraw/zinc/65/70/75/437657075.db2.gz UBQSOKBYYDUZFD-CQSZACIVSA-N 2 2 325.457 0.183 20 30 ECEDLP CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C#N ZINC000372224071 438052541 /nfs/dbraw/zinc/05/25/41/438052541.db2.gz WDPICRVXKZJABI-ZBFHGGJFSA-N 2 2 334.468 0.004 20 30 ECEDLP CN1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C[C@@H]1C#N ZINC000372224071 438052548 /nfs/dbraw/zinc/05/25/48/438052548.db2.gz WDPICRVXKZJABI-ZBFHGGJFSA-N 2 2 334.468 0.004 20 30 ECEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000580553223 439104371 /nfs/dbraw/zinc/10/43/71/439104371.db2.gz XOJLCQKNPCCARF-SJORKVTESA-N 2 2 333.432 0.998 20 30 ECEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000580553223 439104375 /nfs/dbraw/zinc/10/43/75/439104375.db2.gz XOJLCQKNPCCARF-SJORKVTESA-N 2 2 333.432 0.998 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)C[C@H](C)O)CC1 ZINC000490780728 439299083 /nfs/dbraw/zinc/29/90/83/439299083.db2.gz QIDWEIIZWZQYPQ-KRWDZBQOSA-N 2 2 329.444 0.647 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)C[C@H](C)O)CC1 ZINC000490780728 439299087 /nfs/dbraw/zinc/29/90/87/439299087.db2.gz QIDWEIIZWZQYPQ-KRWDZBQOSA-N 2 2 329.444 0.647 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCC(=O)OC(C)(C)C)CC1 ZINC000490854334 439305383 /nfs/dbraw/zinc/30/53/83/439305383.db2.gz ZVJZBNBXCMEPQJ-UHFFFAOYSA-N 2 2 337.464 0.818 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCC(=O)OC(C)(C)C)CC1 ZINC000490854334 439305388 /nfs/dbraw/zinc/30/53/88/439305388.db2.gz ZVJZBNBXCMEPQJ-UHFFFAOYSA-N 2 2 337.464 0.818 20 30 ECEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1=O ZINC000598724113 439308091 /nfs/dbraw/zinc/30/80/91/439308091.db2.gz MOGOWKLNJWBQEF-KGLIPLIRSA-N 2 2 333.436 0.801 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3cc(C)ccn3)C2)CC1 ZINC000491645688 439420093 /nfs/dbraw/zinc/42/00/93/439420093.db2.gz PYQVZCJYTNGLMG-KRWDZBQOSA-N 2 2 326.444 0.957 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)CC1 ZINC000491645688 439420101 /nfs/dbraw/zinc/42/01/01/439420101.db2.gz PYQVZCJYTNGLMG-KRWDZBQOSA-N 2 2 326.444 0.957 20 30 ECEDLP C#CCNC(=O)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000491698389 439430816 /nfs/dbraw/zinc/43/08/16/439430816.db2.gz CHXLUWTZAYILCW-ROUUACIJSA-N 2 2 329.444 0.599 20 30 ECEDLP C#CCNC(=O)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000491698389 439430817 /nfs/dbraw/zinc/43/08/17/439430817.db2.gz CHXLUWTZAYILCW-ROUUACIJSA-N 2 2 329.444 0.599 20 30 ECEDLP Cc1nc(N2CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc[nH+]1 ZINC000599364843 439446946 /nfs/dbraw/zinc/44/69/46/439446946.db2.gz MRSOUOQALBSXBG-INIZCTEOSA-N 2 2 345.447 0.978 20 30 ECEDLP N#CCCCC[C@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000594436213 439561307 /nfs/dbraw/zinc/56/13/07/439561307.db2.gz BVQUAHFNXUILCD-GOEBONIOSA-N 2 2 340.493 0.722 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CC1(C#N)CCCC1 ZINC000594822283 439621388 /nfs/dbraw/zinc/62/13/88/439621388.db2.gz VJFQJSCDLGMREP-UHFFFAOYSA-N 2 2 330.498 0.873 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CC1(C#N)CCCC1 ZINC000594822283 439621393 /nfs/dbraw/zinc/62/13/93/439621393.db2.gz VJFQJSCDLGMREP-UHFFFAOYSA-N 2 2 330.498 0.873 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CCOCC1 ZINC000600741625 439698057 /nfs/dbraw/zinc/69/80/57/439698057.db2.gz GCJJQTJRSJTRSO-CVEARBPZSA-N 2 2 325.453 0.494 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+][C@@H]2CCC[N@H+](CCCO)C2)CCOCC1 ZINC000600741625 439698060 /nfs/dbraw/zinc/69/80/60/439698060.db2.gz GCJJQTJRSJTRSO-CVEARBPZSA-N 2 2 325.453 0.494 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](N3CCCCC3=O)C2)CC1 ZINC000748817335 579329225 /nfs/dbraw/zinc/32/92/25/579329225.db2.gz MNWQSMYARNIAKE-QGZVFWFLSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)CC1 ZINC000748817335 579329226 /nfs/dbraw/zinc/32/92/26/579329226.db2.gz MNWQSMYARNIAKE-QGZVFWFLSA-N 2 2 346.475 0.241 20 30 ECEDLP NC(=[NH+]OCC(=O)N1CCCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725792776 578133734 /nfs/dbraw/zinc/13/37/34/578133734.db2.gz PVVPOIVNKVWMKT-UHFFFAOYSA-N 2 2 346.431 0.778 20 30 ECEDLP C[C@H](O[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1)C(=O)NC1CC1 ZINC000733307118 578335849 /nfs/dbraw/zinc/33/58/49/578335849.db2.gz WBTCGXSNCSMQFG-ZDUSSCGKSA-N 2 2 346.431 0.823 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)O[C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000783656090 578744115 /nfs/dbraw/zinc/74/41/15/578744115.db2.gz VNDGKNWHDAMZHL-OAHLLOKOSA-N 2 2 335.448 0.427 20 30 ECEDLP N#Cc1cnn2cc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCOCC3)cnc12 ZINC000897231450 586289978 /nfs/dbraw/zinc/28/99/78/586289978.db2.gz XCNZARDRVGQQGO-MRXNPFEDSA-N 2 2 326.404 0.944 20 30 ECEDLP N#Cc1cnn2cc(C[NH2+]C[C@H]3CC[N@H+]3C3CCOCC3)cnc12 ZINC000897231450 586289979 /nfs/dbraw/zinc/28/99/79/586289979.db2.gz XCNZARDRVGQQGO-MRXNPFEDSA-N 2 2 326.404 0.944 20 30 ECEDLP C=CC[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000843076084 589049480 /nfs/dbraw/zinc/04/94/80/589049480.db2.gz DUKQHHMIDMOHQX-WMZOPIPTSA-N 2 2 349.475 0.705 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000900333597 586538063 /nfs/dbraw/zinc/53/80/63/586538063.db2.gz CXYUTXXWSHDUSN-MRXNPFEDSA-N 2 2 327.494 0.818 20 30 ECEDLP N#CC1(CCCC[NH+]2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000903787160 586815829 /nfs/dbraw/zinc/81/58/29/586815829.db2.gz UYGOSDQYWAGMIQ-UHFFFAOYSA-N 2 2 340.493 0.770 20 30 ECEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000844194068 589102072 /nfs/dbraw/zinc/10/20/72/589102072.db2.gz WADCEQHMOIWZDM-PVAVHDDUSA-N 3 2 338.415 0.029 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cccc(F)c1C#N ZINC000849428725 589333525 /nfs/dbraw/zinc/33/35/25/589333525.db2.gz DJXBLMFTCUDRPK-UHFFFAOYSA-N 2 2 342.440 0.859 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cccc(F)c1C#N ZINC000849428725 589333527 /nfs/dbraw/zinc/33/35/27/589333527.db2.gz DJXBLMFTCUDRPK-UHFFFAOYSA-N 2 2 342.440 0.859 20 30 ECEDLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000872218232 590105242 /nfs/dbraw/zinc/10/52/42/590105242.db2.gz LJJUFSSFQGLZEI-LSDHHAIUSA-N 2 2 325.453 0.493 20 30 ECEDLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000872218232 590105244 /nfs/dbraw/zinc/10/52/44/590105244.db2.gz LJJUFSSFQGLZEI-LSDHHAIUSA-N 2 2 325.453 0.493 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000876718862 590402865 /nfs/dbraw/zinc/40/28/65/590402865.db2.gz WWUZELNEYJSFAZ-AWEZNQCLSA-N 2 2 342.871 0.613 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000876718862 590402867 /nfs/dbraw/zinc/40/28/67/590402867.db2.gz WWUZELNEYJSFAZ-AWEZNQCLSA-N 2 2 342.871 0.613 20 30 ECEDLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876781187 590414820 /nfs/dbraw/zinc/41/48/20/590414820.db2.gz DXKYKUCUBOCXCC-KBXCAEBGSA-N 2 2 341.459 0.497 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000884199665 590771221 /nfs/dbraw/zinc/77/12/21/590771221.db2.gz GSJONUYNKZVAAV-ZDUSSCGKSA-N 2 2 337.445 0.669 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000884199665 590771225 /nfs/dbraw/zinc/77/12/25/590771225.db2.gz GSJONUYNKZVAAV-ZDUSSCGKSA-N 2 2 337.445 0.669 20 30 ECEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N(CC[NH+]1CCOCC1)CC1CC1)C2 ZINC000884413207 590823407 /nfs/dbraw/zinc/82/34/07/590823407.db2.gz MTHFRUZWVSLTHR-HFCFLWKCSA-N 2 2 346.475 0.697 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000890360765 591150552 /nfs/dbraw/zinc/15/05/52/591150552.db2.gz BCVWSKBLVPBDKJ-ROUUACIJSA-N 2 2 348.491 0.980 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000890360765 591150555 /nfs/dbraw/zinc/15/05/55/591150555.db2.gz BCVWSKBLVPBDKJ-ROUUACIJSA-N 2 2 348.491 0.980 20 30 ECEDLP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000949326222 608636088 /nfs/dbraw/zinc/63/60/88/608636088.db2.gz HYTRVMSRAAJQBC-INIZCTEOSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000949326222 608636090 /nfs/dbraw/zinc/63/60/90/608636090.db2.gz HYTRVMSRAAJQBC-INIZCTEOSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC000949326222 608636093 /nfs/dbraw/zinc/63/60/93/608636093.db2.gz HYTRVMSRAAJQBC-INIZCTEOSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC000949326222 608636095 /nfs/dbraw/zinc/63/60/95/608636095.db2.gz HYTRVMSRAAJQBC-INIZCTEOSA-N 2 2 337.464 0.587 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000913992963 609841605 /nfs/dbraw/zinc/84/16/05/609841605.db2.gz NBJRJZPFADPZRD-KRWDZBQOSA-N 2 2 336.480 0.740 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC000941413649 610302932 /nfs/dbraw/zinc/30/29/32/610302932.db2.gz BREFVVCLIRQCDT-ZWKOTPCHSA-N 2 2 332.492 0.568 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000941413649 610302934 /nfs/dbraw/zinc/30/29/34/610302934.db2.gz BREFVVCLIRQCDT-ZWKOTPCHSA-N 2 2 332.492 0.568 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)C1 ZINC000941456020 610318465 /nfs/dbraw/zinc/31/84/65/610318465.db2.gz KJGMHIIUUOKPEP-PKOBYXMFSA-N 2 2 344.503 0.855 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)C1 ZINC000941456020 610318466 /nfs/dbraw/zinc/31/84/66/610318466.db2.gz KJGMHIIUUOKPEP-PKOBYXMFSA-N 2 2 344.503 0.855 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC000941537947 610357269 /nfs/dbraw/zinc/35/72/69/610357269.db2.gz RIIBFODHNYJEJP-UHFFFAOYSA-N 2 2 344.459 0.807 20 30 ECEDLP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000941671018 610444790 /nfs/dbraw/zinc/44/47/90/610444790.db2.gz DDGQYCMSQYJTRW-QGZVFWFLSA-N 2 2 336.480 0.112 20 30 ECEDLP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000941671018 610444791 /nfs/dbraw/zinc/44/47/91/610444791.db2.gz DDGQYCMSQYJTRW-QGZVFWFLSA-N 2 2 336.480 0.112 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000941245469 610616213 /nfs/dbraw/zinc/61/62/13/610616213.db2.gz PAAYIRGVMCARPD-CVEARBPZSA-N 2 2 343.431 0.006 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000941245469 610616215 /nfs/dbraw/zinc/61/62/15/610616215.db2.gz PAAYIRGVMCARPD-CVEARBPZSA-N 2 2 343.431 0.006 20 30 ECEDLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000969439581 731879269 /nfs/dbraw/zinc/87/92/69/731879269.db2.gz BXQFRVMRJDMZER-KSSFIOAISA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000969439581 731879274 /nfs/dbraw/zinc/87/92/74/731879274.db2.gz BXQFRVMRJDMZER-KSSFIOAISA-N 2 2 342.443 0.825 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCN2CCCC2=O)C1 ZINC000969864807 732460891 /nfs/dbraw/zinc/46/08/91/732460891.db2.gz FSAZIZXGUDZITB-RDJZCZTQSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCN2CCCC2=O)C1 ZINC000969864807 732460893 /nfs/dbraw/zinc/46/08/93/732460893.db2.gz FSAZIZXGUDZITB-RDJZCZTQSA-N 2 2 346.475 0.143 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001025121542 738687483 /nfs/dbraw/zinc/68/74/83/738687483.db2.gz CQCAXEVTFHJZIJ-HUUCEWRRSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000970198128 733180196 /nfs/dbraw/zinc/18/01/96/733180196.db2.gz INYULZHMNWPHSF-NXHRZFHOSA-N 2 2 349.475 0.326 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCCF)CCO2 ZINC000972417508 736158472 /nfs/dbraw/zinc/15/84/72/736158472.db2.gz YQMRRBHHBRUNPZ-FUHWJXTLSA-N 2 2 337.439 0.747 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCCF)CCO2 ZINC000972417508 736158475 /nfs/dbraw/zinc/15/84/75/736158475.db2.gz YQMRRBHHBRUNPZ-FUHWJXTLSA-N 2 2 337.439 0.747 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CCCF)CCO2 ZINC000972417508 736158477 /nfs/dbraw/zinc/15/84/77/736158477.db2.gz YQMRRBHHBRUNPZ-FUHWJXTLSA-N 2 2 337.439 0.747 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CCCF)CCO2 ZINC000972417508 736158479 /nfs/dbraw/zinc/15/84/79/736158479.db2.gz YQMRRBHHBRUNPZ-FUHWJXTLSA-N 2 2 337.439 0.747 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972450144 736229772 /nfs/dbraw/zinc/22/97/72/736229772.db2.gz RUNPAPOZEXADFF-SFHVURJKSA-N 2 2 331.460 0.941 20 30 ECEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972450144 736229777 /nfs/dbraw/zinc/22/97/77/736229777.db2.gz RUNPAPOZEXADFF-SFHVURJKSA-N 2 2 331.460 0.941 20 30 ECEDLP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972517006 736527811 /nfs/dbraw/zinc/52/78/11/736527811.db2.gz CDGUEAYBXADWJK-HKUYNNGSSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972517006 736527812 /nfs/dbraw/zinc/52/78/12/736527812.db2.gz CDGUEAYBXADWJK-HKUYNNGSSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972517006 736527815 /nfs/dbraw/zinc/52/78/15/736527815.db2.gz CDGUEAYBXADWJK-HKUYNNGSSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc4c[nH+]cn4c3)C2)nn1 ZINC001105283271 741641151 /nfs/dbraw/zinc/64/11/51/741641151.db2.gz IHMQHZSVRAXQAL-UHFFFAOYSA-N 2 2 335.371 0.346 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nonc2C)C1 ZINC000998923153 744407806 /nfs/dbraw/zinc/40/78/06/744407806.db2.gz OSSJUXDPALGQBD-XUJLQICISA-N 2 2 331.420 0.555 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nonc2C)C1 ZINC000998923153 744407808 /nfs/dbraw/zinc/40/78/08/744407808.db2.gz OSSJUXDPALGQBD-XUJLQICISA-N 2 2 331.420 0.555 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccc(C)n2)C1 ZINC000999390833 744671272 /nfs/dbraw/zinc/67/12/72/744671272.db2.gz ILIMWIPCMDSCIV-IRXDYDNUSA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccc(C)n2)C1 ZINC000999390833 744671274 /nfs/dbraw/zinc/67/12/74/744671274.db2.gz ILIMWIPCMDSCIV-IRXDYDNUSA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)nn2)C1 ZINC000999998905 745160009 /nfs/dbraw/zinc/16/00/09/745160009.db2.gz VHVPURSSSPRHPH-HNNXBMFYSA-N 2 2 349.398 0.964 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)nn2)C1 ZINC000999998905 745160011 /nfs/dbraw/zinc/16/00/11/745160011.db2.gz VHVPURSSSPRHPH-HNNXBMFYSA-N 2 2 349.398 0.964 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nncs2)C1 ZINC000983902241 745484489 /nfs/dbraw/zinc/48/44/89/745484489.db2.gz STBLEEFAMYPIBJ-IHRRRGAJSA-N 2 2 333.461 0.620 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nncs2)C1 ZINC000983902241 745484494 /nfs/dbraw/zinc/48/44/94/745484494.db2.gz STBLEEFAMYPIBJ-IHRRRGAJSA-N 2 2 333.461 0.620 20 30 ECEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CCCC)C[C@@H]2C1 ZINC001088052788 747159746 /nfs/dbraw/zinc/15/97/46/747159746.db2.gz IEASYPGBKAUHDB-SQNIBIBYSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CCCC)C[C@@H]2C1 ZINC001088052788 747159749 /nfs/dbraw/zinc/15/97/49/747159749.db2.gz IEASYPGBKAUHDB-SQNIBIBYSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088052788 747159755 /nfs/dbraw/zinc/15/97/55/747159755.db2.gz IEASYPGBKAUHDB-SQNIBIBYSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3COCC[NH+]3CCCC)C[C@@H]2C1 ZINC001088052788 747159759 /nfs/dbraw/zinc/15/97/59/747159759.db2.gz IEASYPGBKAUHDB-SQNIBIBYSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccn(C)n2)C1 ZINC001029757657 748268266 /nfs/dbraw/zinc/26/82/66/748268266.db2.gz FZEKBRCWSSRWCK-WMZOPIPTSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccn(C)n2)C1 ZINC001029757657 748268272 /nfs/dbraw/zinc/26/82/72/748268272.db2.gz FZEKBRCWSSRWCK-WMZOPIPTSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2ccn(C)n2)C1 ZINC001029757657 748268276 /nfs/dbraw/zinc/26/82/76/748268276.db2.gz FZEKBRCWSSRWCK-WMZOPIPTSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2ccn(C)n2)C1 ZINC001029757657 748268278 /nfs/dbraw/zinc/26/82/78/748268278.db2.gz FZEKBRCWSSRWCK-WMZOPIPTSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001098728933 748731756 /nfs/dbraw/zinc/73/17/56/748731756.db2.gz WTEBBYMLHXBTFY-GDBMZVCRSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001098728933 748731761 /nfs/dbraw/zinc/73/17/61/748731761.db2.gz WTEBBYMLHXBTFY-GDBMZVCRSA-N 2 2 330.436 0.259 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC000985816867 749161566 /nfs/dbraw/zinc/16/15/66/749161566.db2.gz RVWLIFGDUNNODX-INIZCTEOSA-N 2 2 345.447 0.593 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC000985816867 749161571 /nfs/dbraw/zinc/16/15/71/749161571.db2.gz RVWLIFGDUNNODX-INIZCTEOSA-N 2 2 345.447 0.593 20 30 ECEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(C2CC2)C(=O)C1 ZINC000262812502 749855709 /nfs/dbraw/zinc/85/57/09/749855709.db2.gz VPPANDKNQPZYSG-UHFFFAOYSA-N 2 2 339.509 0.307 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098645423 752703172 /nfs/dbraw/zinc/70/31/72/752703172.db2.gz LWSXAFQHBOXXDZ-JKSUJKDBSA-N 2 2 330.436 0.259 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098645423 752703175 /nfs/dbraw/zinc/70/31/75/752703175.db2.gz LWSXAFQHBOXXDZ-JKSUJKDBSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)[C@@H]1C ZINC001088631305 753431688 /nfs/dbraw/zinc/43/16/88/753431688.db2.gz DVEMAABQWNLLSF-NJAFHUGGSA-N 2 2 343.475 0.639 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cnn(C)c2)[C@@H]1C ZINC001088631305 753431692 /nfs/dbraw/zinc/43/16/92/753431692.db2.gz DVEMAABQWNLLSF-NJAFHUGGSA-N 2 2 343.475 0.639 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2cnn(C)c2)[C@@H]1C ZINC001088631305 753431695 /nfs/dbraw/zinc/43/16/95/753431695.db2.gz DVEMAABQWNLLSF-NJAFHUGGSA-N 2 2 343.475 0.639 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2cnn(C)c2)[C@@H]1C ZINC001088631305 753431697 /nfs/dbraw/zinc/43/16/97/753431697.db2.gz DVEMAABQWNLLSF-NJAFHUGGSA-N 2 2 343.475 0.639 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001098682746 753684862 /nfs/dbraw/zinc/68/48/62/753684862.db2.gz GAIJDFQEABSNHC-SJORKVTESA-N 2 2 346.479 0.751 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)CCC[NH+]3CCCCC3)C2)nn1 ZINC001105374221 753747885 /nfs/dbraw/zinc/74/78/85/753747885.db2.gz PDHKZFQQNVBUHV-UHFFFAOYSA-N 2 2 344.463 0.650 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC001028603641 753896693 /nfs/dbraw/zinc/89/66/93/753896693.db2.gz GHDOLPLDWBGEDQ-HOCLYGCPSA-N 2 2 346.431 0.719 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cc(OC)no2)C1 ZINC001028603641 753896708 /nfs/dbraw/zinc/89/67/08/753896708.db2.gz GHDOLPLDWBGEDQ-HOCLYGCPSA-N 2 2 346.431 0.719 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cc(OC)no2)C1 ZINC001028603641 753896717 /nfs/dbraw/zinc/89/67/17/753896717.db2.gz GHDOLPLDWBGEDQ-HOCLYGCPSA-N 2 2 346.431 0.719 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cc(OC)no2)C1 ZINC001028603641 753896729 /nfs/dbraw/zinc/89/67/29/753896729.db2.gz GHDOLPLDWBGEDQ-HOCLYGCPSA-N 2 2 346.431 0.719 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3cncn3C)CC2)CC1 ZINC000989735396 754365221 /nfs/dbraw/zinc/36/52/21/754365221.db2.gz ZSDGSQDQZSBSLI-UHFFFAOYSA-N 2 2 343.475 0.800 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3cncn3C)CC2)CC1 ZINC000989735396 754365227 /nfs/dbraw/zinc/36/52/27/754365227.db2.gz ZSDGSQDQZSBSLI-UHFFFAOYSA-N 2 2 343.475 0.800 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnsn3)C[C@H]2C)CC1 ZINC000989829601 754483784 /nfs/dbraw/zinc/48/37/84/754483784.db2.gz UPPHJPHROMGNHW-UKRRQHHQSA-N 2 2 347.488 0.962 20 30 ECEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C(C)C)C[C@H]1O ZINC001105667325 755614192 /nfs/dbraw/zinc/61/41/92/755614192.db2.gz QLFRGSUXAPYSDA-VVWQDTPRSA-N 2 2 344.459 0.942 20 30 ECEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C(C)C)C[C@H]1O ZINC001105667320 755615680 /nfs/dbraw/zinc/61/56/80/755615680.db2.gz QLFRGSUXAPYSDA-OHDICMOHSA-N 2 2 344.459 0.942 20 30 ECEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1(C)C ZINC000996082657 756936597 /nfs/dbraw/zinc/93/65/97/756936597.db2.gz COTCCRKNVQRMFA-IRXDYDNUSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1(C)C ZINC000996082657 756936602 /nfs/dbraw/zinc/93/66/02/756936602.db2.gz COTCCRKNVQRMFA-IRXDYDNUSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ocnc2C)C1 ZINC001051660653 762619748 /nfs/dbraw/zinc/61/97/48/762619748.db2.gz ZIDYLFMANHFHST-CVEARBPZSA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ocnc2C)C1 ZINC001051660653 762619755 /nfs/dbraw/zinc/61/97/55/762619755.db2.gz ZIDYLFMANHFHST-CVEARBPZSA-N 2 2 346.431 0.398 20 30 ECEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@H]2C1 ZINC001049226688 758381312 /nfs/dbraw/zinc/38/13/12/758381312.db2.gz QDINDKWNDBITSG-KSZLIROESA-N 2 2 331.460 0.511 20 30 ECEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCOCC3)C[C@H]2C1 ZINC001049226688 758381323 /nfs/dbraw/zinc/38/13/23/758381323.db2.gz QDINDKWNDBITSG-KSZLIROESA-N 2 2 331.460 0.511 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772060 758548047 /nfs/dbraw/zinc/54/80/47/758548047.db2.gz CHRSUZWYOGHHPG-IUODEOHRSA-N 2 2 348.451 0.187 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772060 758548049 /nfs/dbraw/zinc/54/80/49/758548049.db2.gz CHRSUZWYOGHHPG-IUODEOHRSA-N 2 2 348.451 0.187 20 30 ECEDLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083573449 758835423 /nfs/dbraw/zinc/83/54/23/758835423.db2.gz JHDKHGLGAYUFAN-SQNIBIBYSA-N 2 2 342.443 0.704 20 30 ECEDLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083573449 758835430 /nfs/dbraw/zinc/83/54/30/758835430.db2.gz JHDKHGLGAYUFAN-SQNIBIBYSA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083573449 758835438 /nfs/dbraw/zinc/83/54/38/758835438.db2.gz JHDKHGLGAYUFAN-SQNIBIBYSA-N 2 2 342.443 0.704 20 30 ECEDLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083573449 758835446 /nfs/dbraw/zinc/83/54/46/758835446.db2.gz JHDKHGLGAYUFAN-SQNIBIBYSA-N 2 2 342.443 0.704 20 30 ECEDLP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001049517919 758845113 /nfs/dbraw/zinc/84/51/13/758845113.db2.gz NMADOLWZYORTAE-BBWFWOEESA-N 2 2 329.448 0.512 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001049517919 758845121 /nfs/dbraw/zinc/84/51/21/758845121.db2.gz NMADOLWZYORTAE-BBWFWOEESA-N 2 2 329.448 0.512 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001054296206 767904757 /nfs/dbraw/zinc/90/47/57/767904757.db2.gz XKHNLPGFGOGBTF-BMFZPTHFSA-N 2 2 344.463 0.852 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001054296206 767904763 /nfs/dbraw/zinc/90/47/63/767904763.db2.gz XKHNLPGFGOGBTF-BMFZPTHFSA-N 2 2 344.463 0.852 20 30 ECEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001017561662 768125213 /nfs/dbraw/zinc/12/52/13/768125213.db2.gz YYXXHYJQKBKOFS-IYBDPMFKSA-N 2 2 329.448 0.757 20 30 ECEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001017561662 768125217 /nfs/dbraw/zinc/12/52/17/768125217.db2.gz YYXXHYJQKBKOFS-IYBDPMFKSA-N 2 2 329.448 0.757 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CC(=C)C)CC2)C1 ZINC001052037206 763654048 /nfs/dbraw/zinc/65/40/48/763654048.db2.gz HIFXCVQRSFUVBB-OALUTQOASA-N 2 2 344.503 0.879 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](CC(=C)C)CC2)C1 ZINC001052037206 763654055 /nfs/dbraw/zinc/65/40/55/763654055.db2.gz HIFXCVQRSFUVBB-OALUTQOASA-N 2 2 344.503 0.879 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941501782 763784128 /nfs/dbraw/zinc/78/41/28/763784128.db2.gz HLTYJRLWAILYRO-SFHVURJKSA-N 2 2 330.476 0.322 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106068746 764296611 /nfs/dbraw/zinc/29/66/11/764296611.db2.gz OAVCOIVAJGNSRQ-RBSFLKMASA-N 2 2 345.447 0.164 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1=O ZINC001052749726 765063734 /nfs/dbraw/zinc/06/37/34/765063734.db2.gz ZLSQRXSBTPKKLO-HOCLYGCPSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1=O ZINC001052749726 765063742 /nfs/dbraw/zinc/06/37/42/765063742.db2.gz ZLSQRXSBTPKKLO-HOCLYGCPSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3CC)C2)CC1 ZINC001016335230 766139109 /nfs/dbraw/zinc/13/91/09/766139109.db2.gz CAQJJZRDHNFKNJ-INIZCTEOSA-N 2 2 344.463 0.334 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3CC)C2)CC1 ZINC001016335230 766139113 /nfs/dbraw/zinc/13/91/13/766139113.db2.gz CAQJJZRDHNFKNJ-INIZCTEOSA-N 2 2 344.463 0.334 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)CC1 ZINC001016335339 766140063 /nfs/dbraw/zinc/14/00/63/766140063.db2.gz CSJHDNBRGZEZQR-KRWDZBQOSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)cn3)C2)CC1 ZINC001016335339 766140066 /nfs/dbraw/zinc/14/00/66/766140066.db2.gz CSJHDNBRGZEZQR-KRWDZBQOSA-N 2 2 341.459 0.821 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)O2 ZINC001053700526 766620086 /nfs/dbraw/zinc/62/00/86/766620086.db2.gz WUQSYHONWGKNBD-HZPDHXFCSA-N 2 2 335.448 0.080 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700526 766620088 /nfs/dbraw/zinc/62/00/88/766620088.db2.gz WUQSYHONWGKNBD-HZPDHXFCSA-N 2 2 335.448 0.080 20 30 ECEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001031769860 767175669 /nfs/dbraw/zinc/17/56/69/767175669.db2.gz RSJACGAHXRFZJN-RDTXWAMCSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001031769860 767175670 /nfs/dbraw/zinc/17/56/70/767175670.db2.gz RSJACGAHXRFZJN-RDTXWAMCSA-N 2 2 342.443 0.825 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001018664017 769735554 /nfs/dbraw/zinc/73/55/54/769735554.db2.gz VUDVKVNJTJMFJK-RYUDHWBXSA-N 2 2 332.242 0.416 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2COC3(C[NH+](CCCF)C3)C2)CC1 ZINC001054016556 767607310 /nfs/dbraw/zinc/60/73/10/767607310.db2.gz FYAGWLQEEFSVTG-INIZCTEOSA-N 2 2 337.439 0.651 20 30 ECEDLP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001018664017 769735548 /nfs/dbraw/zinc/73/55/48/769735548.db2.gz VUDVKVNJTJMFJK-RYUDHWBXSA-N 2 2 332.242 0.416 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001018666064 769738856 /nfs/dbraw/zinc/73/88/56/769738856.db2.gz ZMEGXYZQLLJUDF-DLBZAZTESA-N 2 2 328.416 0.579 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001018666064 769738865 /nfs/dbraw/zinc/73/88/65/769738865.db2.gz ZMEGXYZQLLJUDF-DLBZAZTESA-N 2 2 328.416 0.579 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC001018949724 770361070 /nfs/dbraw/zinc/36/10/70/770361070.db2.gz LMPSYCWUOJJIRH-GJZGRUSLSA-N 2 2 331.420 0.320 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC001018949724 770361083 /nfs/dbraw/zinc/36/10/83/770361083.db2.gz LMPSYCWUOJJIRH-GJZGRUSLSA-N 2 2 331.420 0.320 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001018986152 770485449 /nfs/dbraw/zinc/48/54/49/770485449.db2.gz SGZJUAHNQDYSTN-KBPBESRZSA-N 2 2 331.420 0.420 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)o2)C1 ZINC001018986152 770485453 /nfs/dbraw/zinc/48/54/53/770485453.db2.gz SGZJUAHNQDYSTN-KBPBESRZSA-N 2 2 331.420 0.420 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nnc(C)o3)C2)CC1 ZINC001019815151 771830375 /nfs/dbraw/zinc/83/03/75/771830375.db2.gz ABDRFMUQVYGXAU-CJNGLKHVSA-N 2 2 345.447 0.975 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001045062343 774917935 /nfs/dbraw/zinc/91/79/35/774917935.db2.gz YKWNGJFSKNQIBC-HOTGVXAUSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001045062343 774917938 /nfs/dbraw/zinc/91/79/38/774917938.db2.gz YKWNGJFSKNQIBC-HOTGVXAUSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2nc(C)no2)CC1 ZINC001045321388 775408731 /nfs/dbraw/zinc/40/87/31/775408731.db2.gz NXMFRYNHTBVXOO-INIZCTEOSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024218 790362456 /nfs/dbraw/zinc/36/24/56/790362456.db2.gz GKSKPFDPKMVWOC-CVEARBPZSA-N 2 2 344.463 0.375 20 30 ECEDLP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024218 790362475 /nfs/dbraw/zinc/36/24/75/790362475.db2.gz GKSKPFDPKMVWOC-CVEARBPZSA-N 2 2 344.463 0.375 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024218 790362484 /nfs/dbraw/zinc/36/24/84/790362484.db2.gz GKSKPFDPKMVWOC-CVEARBPZSA-N 2 2 344.463 0.375 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024218 790362498 /nfs/dbraw/zinc/36/24/98/790362498.db2.gz GKSKPFDPKMVWOC-CVEARBPZSA-N 2 2 344.463 0.375 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001070540658 784245073 /nfs/dbraw/zinc/24/50/73/784245073.db2.gz CCEZQYBNMXRUGN-HLLBOEOZSA-N 2 2 340.431 0.785 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001071100974 784539368 /nfs/dbraw/zinc/53/93/68/784539368.db2.gz KCLJBBZNJBRHDF-MJGOQNOKSA-N 2 2 344.459 0.972 20 30 ECEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH+]cn1C)C[C@H](C)O2 ZINC001071235476 784803167 /nfs/dbraw/zinc/80/31/67/784803167.db2.gz FECXOJLNRQAFDS-YJBOKZPZSA-N 2 2 330.432 0.678 20 30 ECEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1c[nH+]cn1C)C[C@H](C)O2 ZINC001071235476 784803174 /nfs/dbraw/zinc/80/31/74/784803174.db2.gz FECXOJLNRQAFDS-YJBOKZPZSA-N 2 2 330.432 0.678 20 30 ECEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH+]cn1C)C[C@H](C)O2 ZINC001071235474 784803673 /nfs/dbraw/zinc/80/36/73/784803673.db2.gz FECXOJLNRQAFDS-MAUKXSAKSA-N 2 2 330.432 0.678 20 30 ECEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1c[nH+]cn1C)C[C@H](C)O2 ZINC001071235474 784803683 /nfs/dbraw/zinc/80/36/83/784803683.db2.gz FECXOJLNRQAFDS-MAUKXSAKSA-N 2 2 330.432 0.678 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C)C1=O ZINC001074680709 787577628 /nfs/dbraw/zinc/57/76/28/787577628.db2.gz WUOUMEYIVRNYTB-BPUTZDHNSA-N 2 2 345.447 0.708 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C)C1=O ZINC001074680709 787577637 /nfs/dbraw/zinc/57/76/37/787577637.db2.gz WUOUMEYIVRNYTB-BPUTZDHNSA-N 2 2 345.447 0.708 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)C2)C1 ZINC001072911074 789095172 /nfs/dbraw/zinc/09/51/72/789095172.db2.gz JHGWVMXYDARWFD-KRWDZBQOSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)C2)C1 ZINC001072911074 789095177 /nfs/dbraw/zinc/09/51/77/789095177.db2.gz JHGWVMXYDARWFD-KRWDZBQOSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C2)C1 ZINC001072911074 789095187 /nfs/dbraw/zinc/09/51/87/789095187.db2.gz JHGWVMXYDARWFD-KRWDZBQOSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3COCC[NH+]3C3CCCC3)C2)C1 ZINC001072911074 789095197 /nfs/dbraw/zinc/09/51/97/789095197.db2.gz JHGWVMXYDARWFD-KRWDZBQOSA-N 2 2 331.460 0.797 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924773 790195518 /nfs/dbraw/zinc/19/55/18/790195518.db2.gz DXHALWKBBRQRAA-ZACQAIPSSA-N 2 2 344.463 0.516 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924773 790195520 /nfs/dbraw/zinc/19/55/20/790195520.db2.gz DXHALWKBBRQRAA-ZACQAIPSSA-N 2 2 344.463 0.516 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924773 790195522 /nfs/dbraw/zinc/19/55/22/790195522.db2.gz DXHALWKBBRQRAA-ZACQAIPSSA-N 2 2 344.463 0.516 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069924773 790195524 /nfs/dbraw/zinc/19/55/24/790195524.db2.gz DXHALWKBBRQRAA-ZACQAIPSSA-N 2 2 344.463 0.516 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1nc(COC)no1 ZINC001266728663 836208103 /nfs/dbraw/zinc/20/81/03/836208103.db2.gz GMAPBRIAGDSHSJ-KBPBESRZSA-N 2 2 349.435 0.423 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1nc(COC)no1 ZINC001266728663 836208109 /nfs/dbraw/zinc/20/81/09/836208109.db2.gz GMAPBRIAGDSHSJ-KBPBESRZSA-N 2 2 349.435 0.423 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001266802160 836325285 /nfs/dbraw/zinc/32/52/85/836325285.db2.gz XCVXIUZSYIOCKW-JKSUJKDBSA-N 2 2 347.463 0.792 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001266881237 836428775 /nfs/dbraw/zinc/42/87/75/836428775.db2.gz UECHKSXUIIZLHE-HUUCEWRRSA-N 2 2 347.463 0.624 20 30 ECEDLP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267001333 836591686 /nfs/dbraw/zinc/59/16/86/836591686.db2.gz NSJJNKHBJQFWHJ-OAHLLOKOSA-N 2 2 347.463 0.863 20 30 ECEDLP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267001333 836591690 /nfs/dbraw/zinc/59/16/90/836591690.db2.gz NSJJNKHBJQFWHJ-OAHLLOKOSA-N 2 2 347.463 0.863 20 30 ECEDLP C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001267002630 836598655 /nfs/dbraw/zinc/59/86/55/836598655.db2.gz PZQNTGZNCFRNJP-HNNXBMFYSA-N 2 2 347.463 0.483 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267112195 836800506 /nfs/dbraw/zinc/80/05/06/836800506.db2.gz PRGFAUVQDXGFPD-HIFRSBDPSA-N 2 2 333.436 0.566 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267112195 836800515 /nfs/dbraw/zinc/80/05/15/836800515.db2.gz PRGFAUVQDXGFPD-HIFRSBDPSA-N 2 2 333.436 0.566 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H]1CCN(C(C)C)C1=O ZINC001267200395 836974529 /nfs/dbraw/zinc/97/45/29/836974529.db2.gz JSBAQYGVIODNTI-JKSUJKDBSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H]1CCN(C(C)C)C1=O ZINC001267200395 836974534 /nfs/dbraw/zinc/97/45/34/836974534.db2.gz JSBAQYGVIODNTI-JKSUJKDBSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H]1CCN(C(C)C)C1=O ZINC001267200395 836974539 /nfs/dbraw/zinc/97/45/39/836974539.db2.gz JSBAQYGVIODNTI-JKSUJKDBSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H]1CCN(C(C)C)C1=O ZINC001267200395 836974546 /nfs/dbraw/zinc/97/45/46/836974546.db2.gz JSBAQYGVIODNTI-JKSUJKDBSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001267604062 837933903 /nfs/dbraw/zinc/93/39/03/837933903.db2.gz IRSONQQLZPZMBI-UHFFFAOYSA-N 2 2 345.447 0.180 20 30 ECEDLP C#CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001267604062 837933907 /nfs/dbraw/zinc/93/39/07/837933907.db2.gz IRSONQQLZPZMBI-UHFFFAOYSA-N 2 2 345.447 0.180 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267615732 837999266 /nfs/dbraw/zinc/99/92/66/837999266.db2.gz SJEYYNQQQRHTKZ-MRXNPFEDSA-N 2 2 346.475 0.192 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267615732 837999272 /nfs/dbraw/zinc/99/92/72/837999272.db2.gz SJEYYNQQQRHTKZ-MRXNPFEDSA-N 2 2 346.475 0.192 20 30 ECEDLP COCC#CC[NH+]1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267692947 838271740 /nfs/dbraw/zinc/27/17/40/838271740.db2.gz OTDWXJMOPDFOKF-MRXNPFEDSA-N 2 2 330.432 0.452 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267697116 838290018 /nfs/dbraw/zinc/29/00/18/838290018.db2.gz OVPVMCAVJNOLBU-KGLIPLIRSA-N 2 2 333.436 0.423 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267697116 838290021 /nfs/dbraw/zinc/29/00/21/838290021.db2.gz OVPVMCAVJNOLBU-KGLIPLIRSA-N 2 2 333.436 0.423 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267748350 838457050 /nfs/dbraw/zinc/45/70/50/838457050.db2.gz WNEJGZGLOGXDLL-HZPDHXFCSA-N 2 2 330.432 0.594 20 30 ECEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267748350 838457053 /nfs/dbraw/zinc/45/70/53/838457053.db2.gz WNEJGZGLOGXDLL-HZPDHXFCSA-N 2 2 330.432 0.594 20 30 ECEDLP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001267995114 838939911 /nfs/dbraw/zinc/93/99/11/838939911.db2.gz CDWFXYFBYFJDSQ-BBWFWOEESA-N 2 2 337.464 0.231 20 30 ECEDLP CS(=O)(=O)NCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181590246 533399749 /nfs/dbraw/zinc/39/97/49/533399749.db2.gz MLZAYXQZPPKGDZ-UHFFFAOYSA-N 2 2 336.461 0.661 20 30 ECEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000247985009 165168206 /nfs/dbraw/zinc/16/82/06/165168206.db2.gz ITCYBWNXZPLIKU-ZWKOTPCHSA-N 2 2 342.443 0.830 20 30 ECEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000247985009 165168211 /nfs/dbraw/zinc/16/82/11/165168211.db2.gz ITCYBWNXZPLIKU-ZWKOTPCHSA-N 2 2 342.443 0.830 20 30 ECEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000283432525 264117010 /nfs/dbraw/zinc/11/70/10/264117010.db2.gz GIAOPXDLDXDDLL-UHFFFAOYSA-N 2 2 342.447 0.239 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)C2)CC1 ZINC000330275953 279366473 /nfs/dbraw/zinc/36/64/73/279366473.db2.gz MFOAENMIVZILPP-JKSUJKDBSA-N 2 2 346.479 0.824 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCN(c2ccccn2)CC1 ZINC000114069264 436639310 /nfs/dbraw/zinc/63/93/10/436639310.db2.gz PVMJEQSYPQHUPQ-OAHLLOKOSA-N 2 2 332.452 0.110 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCN(c2ccccn2)CC1 ZINC000114069264 436639312 /nfs/dbraw/zinc/63/93/12/436639312.db2.gz PVMJEQSYPQHUPQ-OAHLLOKOSA-N 2 2 332.452 0.110 20 30 ECEDLP C[NH+]=C(NCc1cccn1C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261956648 436898099 /nfs/dbraw/zinc/89/80/99/436898099.db2.gz IXVGGGFUZQHHFM-UHFFFAOYSA-N 2 2 334.468 0.196 20 30 ECEDLP COCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000328876317 437277452 /nfs/dbraw/zinc/27/74/52/437277452.db2.gz KCPPWEMUPWYMIX-HOTGVXAUSA-N 2 2 340.468 0.416 20 30 ECEDLP COCC[NH+]1CCC(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000328876317 437277457 /nfs/dbraw/zinc/27/74/57/437277457.db2.gz KCPPWEMUPWYMIX-HOTGVXAUSA-N 2 2 340.468 0.416 20 30 ECEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000329412915 437365397 /nfs/dbraw/zinc/36/53/97/437365397.db2.gz CEQJXODKPGRIBT-JKSUJKDBSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000329412915 437365401 /nfs/dbraw/zinc/36/54/01/437365401.db2.gz CEQJXODKPGRIBT-JKSUJKDBSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000329412915 437365406 /nfs/dbraw/zinc/36/54/06/437365406.db2.gz CEQJXODKPGRIBT-JKSUJKDBSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CN(C)CC[NH+]2C)C1 ZINC000329412915 437365410 /nfs/dbraw/zinc/36/54/10/437365410.db2.gz CEQJXODKPGRIBT-JKSUJKDBSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CN(C)CC[NH+]2C)C1 ZINC000329412915 437365413 /nfs/dbraw/zinc/36/54/13/437365413.db2.gz CEQJXODKPGRIBT-JKSUJKDBSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC000329412915 437365416 /nfs/dbraw/zinc/36/54/16/437365416.db2.gz CEQJXODKPGRIBT-JKSUJKDBSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)C1 ZINC000329412915 437365418 /nfs/dbraw/zinc/36/54/18/437365418.db2.gz CEQJXODKPGRIBT-JKSUJKDBSA-N 2 2 341.500 0.093 20 30 ECEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000329229638 437338713 /nfs/dbraw/zinc/33/87/13/437338713.db2.gz JKNTVNMGXLIYTB-ILXRZTDVSA-N 2 2 333.436 0.907 20 30 ECEDLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329704116 437404306 /nfs/dbraw/zinc/40/43/06/437404306.db2.gz IOPULFAPFKFTRY-XJKCOSOUSA-N 2 2 333.436 0.976 20 30 ECEDLP Cn1c[nH+]cc1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000290764362 437525019 /nfs/dbraw/zinc/52/50/19/437525019.db2.gz ZQPIGRCSTGIYMT-CYBMUJFWSA-N 2 2 334.424 0.801 20 30 ECEDLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366354314 438059804 /nfs/dbraw/zinc/05/98/04/438059804.db2.gz LJEVAEITZLQBAX-OAHLLOKOSA-N 2 2 329.404 0.180 20 30 ECEDLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366354314 438059810 /nfs/dbraw/zinc/05/98/10/438059810.db2.gz LJEVAEITZLQBAX-OAHLLOKOSA-N 2 2 329.404 0.180 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378430103 438387567 /nfs/dbraw/zinc/38/75/67/438387567.db2.gz CEGAVLYDZHFQIW-KRWDZBQOSA-N 2 2 335.496 0.708 20 30 ECEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378430103 438387572 /nfs/dbraw/zinc/38/75/72/438387572.db2.gz CEGAVLYDZHFQIW-KRWDZBQOSA-N 2 2 335.496 0.708 20 30 ECEDLP C#CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491102523 439332912 /nfs/dbraw/zinc/33/29/12/439332912.db2.gz MOGPFUSUAGORGH-KRWDZBQOSA-N 2 2 341.521 0.525 20 30 ECEDLP C#CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491102523 439332920 /nfs/dbraw/zinc/33/29/20/439332920.db2.gz MOGPFUSUAGORGH-KRWDZBQOSA-N 2 2 341.521 0.525 20 30 ECEDLP C[NH+](C)CCN1CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1=O ZINC000593052089 439334005 /nfs/dbraw/zinc/33/40/05/439334005.db2.gz NBYZUZNALCGDCO-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP C[NH+](C)CCN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1=O ZINC000593052089 439334008 /nfs/dbraw/zinc/33/40/08/439334008.db2.gz NBYZUZNALCGDCO-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000490779510 439298376 /nfs/dbraw/zinc/29/83/76/439298376.db2.gz XPQNYPAIVUTPKM-UHFFFAOYSA-N 2 2 340.471 0.976 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000490779510 439298380 /nfs/dbraw/zinc/29/83/80/439298380.db2.gz XPQNYPAIVUTPKM-UHFFFAOYSA-N 2 2 340.471 0.976 20 30 ECEDLP O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000528477839 439339483 /nfs/dbraw/zinc/33/94/83/439339483.db2.gz XXOQZFYIKACBCF-UHFFFAOYSA-N 2 2 349.394 0.831 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CC1 ZINC000491652873 439419759 /nfs/dbraw/zinc/41/97/59/439419759.db2.gz MWCBUMGISYZAKB-ZWKOTPCHSA-N 2 2 333.476 0.637 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CC1 ZINC000491652873 439419764 /nfs/dbraw/zinc/41/97/64/439419764.db2.gz MWCBUMGISYZAKB-ZWKOTPCHSA-N 2 2 333.476 0.637 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)CC1 ZINC000491711367 439432752 /nfs/dbraw/zinc/43/27/52/439432752.db2.gz UJYHGPXQIVRERE-MJGOQNOKSA-N 2 2 327.428 0.666 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)CC1 ZINC000491569059 439408359 /nfs/dbraw/zinc/40/83/59/439408359.db2.gz UIMKEYQQEQEISC-SFHVURJKSA-N 2 2 335.492 0.931 20 30 ECEDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593918291 439493715 /nfs/dbraw/zinc/49/37/15/439493715.db2.gz DCZFFIHYQQUFLP-SFHVURJKSA-N 3 2 343.475 0.918 20 30 ECEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000539785582 439549490 /nfs/dbraw/zinc/54/94/90/439549490.db2.gz NYJGMOYLYJEYMW-UHFFFAOYSA-N 2 2 345.447 0.836 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCn3cc[nH+]c3C2)nc1 ZINC000572596192 439595232 /nfs/dbraw/zinc/59/52/32/439595232.db2.gz OLVUMSPPKFZVQT-ZDUSSCGKSA-N 2 2 331.401 0.528 20 30 ECEDLP C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1C#N)C[NH+]1CCOCC1 ZINC000600726339 439695596 /nfs/dbraw/zinc/69/55/96/439695596.db2.gz SMBNEMUCUBOSGN-NVXWUHKLSA-N 2 2 333.432 0.856 20 30 ECEDLP N#Cc1ccc(CN2CC[C@H]([NH2+]C[C@H](O)C[NH+]3CCCC3)C2=O)cc1 ZINC000600732700 439696610 /nfs/dbraw/zinc/69/66/10/439696610.db2.gz DEOXHVNHCMLHCZ-ROUUACIJSA-N 2 2 342.443 0.705 20 30 ECEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000615791721 439806439 /nfs/dbraw/zinc/80/64/39/439806439.db2.gz TXSIDAPTWGEFSK-CVEARBPZSA-N 2 2 333.480 0.649 20 30 ECEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000615791721 439806440 /nfs/dbraw/zinc/80/64/40/439806440.db2.gz TXSIDAPTWGEFSK-CVEARBPZSA-N 2 2 333.480 0.649 20 30 ECEDLP C=CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H](C)COC ZINC000661243632 440819910 /nfs/dbraw/zinc/81/99/10/440819910.db2.gz LGPUYBCWZFZCTM-OAHLLOKOSA-N 2 2 327.469 0.736 20 30 ECEDLP C=CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H](C)COC ZINC000661243632 440819913 /nfs/dbraw/zinc/81/99/13/440819913.db2.gz LGPUYBCWZFZCTM-OAHLLOKOSA-N 2 2 327.469 0.736 20 30 ECEDLP CO[C@H]1C[C@@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[N@H+](C)C1 ZINC000328979418 546010690 /nfs/dbraw/zinc/01/06/90/546010690.db2.gz XJYJDKSWXINSCN-DZKIICNBSA-N 2 2 343.493 0.870 20 30 ECEDLP CO[C@H]1C[C@@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)[N@@H+](C)C1 ZINC000328979418 546010696 /nfs/dbraw/zinc/01/06/96/546010696.db2.gz XJYJDKSWXINSCN-DZKIICNBSA-N 2 2 343.493 0.870 20 30 ECEDLP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329953689 546037049 /nfs/dbraw/zinc/03/70/49/546037049.db2.gz NKBHRPRZSKYOIH-LSDHHAIUSA-N 2 2 333.436 0.766 20 30 ECEDLP [O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000329953689 546037052 /nfs/dbraw/zinc/03/70/52/546037052.db2.gz NKBHRPRZSKYOIH-LSDHHAIUSA-N 2 2 333.436 0.766 20 30 ECEDLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NCCC#N ZINC000796276748 578624022 /nfs/dbraw/zinc/62/40/22/578624022.db2.gz QTUYBSOZBVTMRO-UHFFFAOYSA-N 2 2 343.475 0.766 20 30 ECEDLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NCCC#N ZINC000796276748 578624023 /nfs/dbraw/zinc/62/40/23/578624023.db2.gz QTUYBSOZBVTMRO-UHFFFAOYSA-N 2 2 343.475 0.766 20 30 ECEDLP C#CCC[C@@H](O)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000798396032 578645025 /nfs/dbraw/zinc/64/50/25/578645025.db2.gz ROSIXYHBYWHXDA-QGZVFWFLSA-N 2 2 336.480 0.619 20 30 ECEDLP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000834485517 588902301 /nfs/dbraw/zinc/90/23/01/588902301.db2.gz XVJOQHBONIJTBC-CKEIUWERSA-N 2 2 345.422 0.564 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000900260065 586534326 /nfs/dbraw/zinc/53/43/26/586534326.db2.gz PEQDGKDHNSKJJZ-UHFFFAOYSA-N 2 2 332.452 0.223 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)N1CCNC(=O)[C@H]1c1c(C)[nH+]c2ccccn21 ZINC000907582210 586740377 /nfs/dbraw/zinc/74/03/77/586740377.db2.gz NDZQXGCCIYPRCE-MRXNPFEDSA-N 2 2 341.415 0.760 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)N1CCNC(=O)[C@@H]1c1c(C)[nH+]c2ccccn21 ZINC000907582209 586740437 /nfs/dbraw/zinc/74/04/37/586740437.db2.gz NDZQXGCCIYPRCE-INIZCTEOSA-N 2 2 341.415 0.760 20 30 ECEDLP C=CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903722287 586801774 /nfs/dbraw/zinc/80/17/74/586801774.db2.gz KDCPLWWHFAVUAF-HUUCEWRRSA-N 2 2 328.478 0.820 20 30 ECEDLP C=CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903722287 586801776 /nfs/dbraw/zinc/80/17/76/586801776.db2.gz KDCPLWWHFAVUAF-HUUCEWRRSA-N 2 2 328.478 0.820 20 30 ECEDLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852859792 589518630 /nfs/dbraw/zinc/51/86/30/589518630.db2.gz AOBSDWYEGLFXMP-UHFFFAOYSA-N 2 2 330.432 0.939 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)NC[C@@]1(CO)COCC[N@@H+]1Cc1ccccc1 ZINC000856078760 589653723 /nfs/dbraw/zinc/65/37/23/589653723.db2.gz YGXASFKCVYPUDW-LJQANCHMSA-N 2 2 347.459 0.484 20 30 ECEDLP C=C(C[NH+](C)C)C(=O)NC[C@@]1(CO)COCC[N@H+]1Cc1ccccc1 ZINC000856078760 589653725 /nfs/dbraw/zinc/65/37/25/589653725.db2.gz YGXASFKCVYPUDW-LJQANCHMSA-N 2 2 347.459 0.484 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859214254 589808180 /nfs/dbraw/zinc/80/81/80/589808180.db2.gz HBVYOFWKZIXEGP-UHFFFAOYSA-N 3 2 342.487 0.957 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000879376814 590308950 /nfs/dbraw/zinc/30/89/50/590308950.db2.gz JUBCHPZMWSWYLI-ZDUSSCGKSA-N 2 2 342.399 0.961 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC000879248661 590574068 /nfs/dbraw/zinc/57/40/68/590574068.db2.gz WQIOVEQCWJIADQ-UHFFFAOYSA-N 3 2 332.492 0.572 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000884189206 590768363 /nfs/dbraw/zinc/76/83/63/590768363.db2.gz YWZHWGVLEGPBEK-GJZGRUSLSA-N 2 2 337.395 0.991 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000884198740 590771009 /nfs/dbraw/zinc/77/10/09/590771009.db2.gz FPMMBPUVVPPBNF-IRXDYDNUSA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000884198740 590771010 /nfs/dbraw/zinc/77/10/10/590771010.db2.gz FPMMBPUVVPPBNF-IRXDYDNUSA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884198740 590771013 /nfs/dbraw/zinc/77/10/13/590771013.db2.gz FPMMBPUVVPPBNF-IRXDYDNUSA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884198740 590771014 /nfs/dbraw/zinc/77/10/14/590771014.db2.gz FPMMBPUVVPPBNF-IRXDYDNUSA-N 2 2 335.496 0.267 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000884199331 590771521 /nfs/dbraw/zinc/77/15/21/590771521.db2.gz WPZBPMWVNIKHPZ-ROUUACIJSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000884199331 590771532 /nfs/dbraw/zinc/77/15/32/590771532.db2.gz WPZBPMWVNIKHPZ-ROUUACIJSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000884199331 590771536 /nfs/dbraw/zinc/77/15/36/590771536.db2.gz WPZBPMWVNIKHPZ-ROUUACIJSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000884199331 590771539 /nfs/dbraw/zinc/77/15/39/590771539.db2.gz WPZBPMWVNIKHPZ-ROUUACIJSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](Nc2nc(NCCO)[nH+]c(NC(C)C)n2)C1 ZINC000884611328 590871188 /nfs/dbraw/zinc/87/11/88/590871188.db2.gz JMPNJJJSWNAZBA-CYBMUJFWSA-N 2 2 333.440 0.606 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](Nc2nc(NCCO)[nH+]c(NC(C)C)n2)C1 ZINC000884611328 590871189 /nfs/dbraw/zinc/87/11/89/590871189.db2.gz JMPNJJJSWNAZBA-CYBMUJFWSA-N 2 2 333.440 0.606 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000890376053 591155894 /nfs/dbraw/zinc/15/58/94/591155894.db2.gz ADLYKCVZNQPLQK-IAGOWNOFSA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000890376053 591155896 /nfs/dbraw/zinc/15/58/96/591155896.db2.gz ADLYKCVZNQPLQK-IAGOWNOFSA-N 2 2 334.464 0.590 20 30 ECEDLP C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971271045 734414931 /nfs/dbraw/zinc/41/49/31/734414931.db2.gz JNPIWEYQPFNYCH-CZUORRHYSA-N 2 2 348.472 0.983 20 30 ECEDLP C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971271045 734414933 /nfs/dbraw/zinc/41/49/33/734414933.db2.gz JNPIWEYQPFNYCH-CZUORRHYSA-N 2 2 348.472 0.983 20 30 ECEDLP C[NH+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971271045 734414936 /nfs/dbraw/zinc/41/49/36/734414936.db2.gz JNPIWEYQPFNYCH-CZUORRHYSA-N 2 2 348.472 0.983 20 30 ECEDLP C[NH+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971271045 734414938 /nfs/dbraw/zinc/41/49/38/734414938.db2.gz JNPIWEYQPFNYCH-CZUORRHYSA-N 2 2 348.472 0.983 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(OC)no2)C1 ZINC000971705100 734966112 /nfs/dbraw/zinc/96/61/12/734966112.db2.gz ZFHVMGRMQUCKKR-ZBFHGGJFSA-N 2 2 346.431 0.814 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(OC)no2)C1 ZINC000971705100 734966113 /nfs/dbraw/zinc/96/61/13/734966113.db2.gz ZFHVMGRMQUCKKR-ZBFHGGJFSA-N 2 2 346.431 0.814 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cc(OC)no2)C1 ZINC000971705100 734966114 /nfs/dbraw/zinc/96/61/14/734966114.db2.gz ZFHVMGRMQUCKKR-ZBFHGGJFSA-N 2 2 346.431 0.814 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cc(OC)no2)C1 ZINC000971705100 734966115 /nfs/dbraw/zinc/96/61/15/734966115.db2.gz ZFHVMGRMQUCKKR-ZBFHGGJFSA-N 2 2 346.431 0.814 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC000972040945 735546842 /nfs/dbraw/zinc/54/68/42/735546842.db2.gz VOOVXBMQGCIHRR-HOTGVXAUSA-N 2 2 345.447 0.593 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC000972040945 735546843 /nfs/dbraw/zinc/54/68/43/735546843.db2.gz VOOVXBMQGCIHRR-HOTGVXAUSA-N 2 2 345.447 0.593 20 30 ECEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC001083244915 735758441 /nfs/dbraw/zinc/75/84/41/735758441.db2.gz PMTHRTJIEVLCKK-ZWKOTPCHSA-N 2 2 331.460 0.653 20 30 ECEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC001083244915 735758444 /nfs/dbraw/zinc/75/84/44/735758444.db2.gz PMTHRTJIEVLCKK-ZWKOTPCHSA-N 2 2 331.460 0.653 20 30 ECEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000972479828 736301998 /nfs/dbraw/zinc/30/19/98/736301998.db2.gz CWNSWSWPLZHOFZ-PKOBYXMFSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000972479828 736302002 /nfs/dbraw/zinc/30/20/02/736302002.db2.gz CWNSWSWPLZHOFZ-PKOBYXMFSA-N 2 2 331.460 0.797 20 30 ECEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972678271 737357802 /nfs/dbraw/zinc/35/78/02/737357802.db2.gz VEOMGQBOPKOMDI-WMZOPIPTSA-N 2 2 337.464 0.444 20 30 ECEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972678271 737357806 /nfs/dbraw/zinc/35/78/06/737357806.db2.gz VEOMGQBOPKOMDI-WMZOPIPTSA-N 2 2 337.464 0.444 20 30 ECEDLP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682548 737370622 /nfs/dbraw/zinc/37/06/22/737370622.db2.gz GJDLUNOZIOXINI-FUHWJXTLSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682548 737370633 /nfs/dbraw/zinc/37/06/33/737370633.db2.gz GJDLUNOZIOXINI-FUHWJXTLSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682548 737370637 /nfs/dbraw/zinc/37/06/37/737370637.db2.gz GJDLUNOZIOXINI-FUHWJXTLSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682548 737370644 /nfs/dbraw/zinc/37/06/44/737370644.db2.gz GJDLUNOZIOXINI-FUHWJXTLSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001024285923 737872765 /nfs/dbraw/zinc/87/27/65/737872765.db2.gz OYLDPUGYQPKRGW-HOTGVXAUSA-N 2 2 345.447 0.498 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021539 739522415 /nfs/dbraw/zinc/52/24/15/739522415.db2.gz UCMKXGVMRQENDG-YOEHRIQHSA-N 2 2 331.420 0.156 20 30 ECEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021539 739522417 /nfs/dbraw/zinc/52/24/17/739522417.db2.gz UCMKXGVMRQENDG-YOEHRIQHSA-N 2 2 331.420 0.156 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001105314286 741735207 /nfs/dbraw/zinc/73/52/07/741735207.db2.gz PQAWEPUYARVFQU-UHFFFAOYSA-N 2 2 330.436 0.116 20 30 ECEDLP N#CCN1CC[NH+](C2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)CC1 ZINC000996790367 742869203 /nfs/dbraw/zinc/86/92/03/742869203.db2.gz WQXPXYUQYHQSAN-UHFFFAOYSA-N 2 2 330.436 0.521 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001027170468 742962364 /nfs/dbraw/zinc/96/23/64/742962364.db2.gz KKCNMRDFVGMALI-ZBFHGGJFSA-N 2 2 345.447 0.188 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nc(C)no2)CC1 ZINC000997832318 743843050 /nfs/dbraw/zinc/84/30/50/743843050.db2.gz QWQGLBDTBAAEEC-INIZCTEOSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nc(C)no2)CC1 ZINC000997832318 743843058 /nfs/dbraw/zinc/84/30/58/743843058.db2.gz QWQGLBDTBAAEEC-INIZCTEOSA-N 2 2 345.447 0.804 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2csnn2)C1 ZINC000998923926 744408181 /nfs/dbraw/zinc/40/81/81/744408181.db2.gz ZGPBGEFFMIHVIN-ZALBZXLWSA-N 2 2 333.461 0.715 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2csnn2)C1 ZINC000998923926 744408186 /nfs/dbraw/zinc/40/81/86/744408186.db2.gz ZGPBGEFFMIHVIN-ZALBZXLWSA-N 2 2 333.461 0.715 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2C[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)C1=O ZINC000977596762 745234937 /nfs/dbraw/zinc/23/49/37/745234937.db2.gz VMKBERIBLLCYCD-CVEARBPZSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)C1=O ZINC000977596762 745234942 /nfs/dbraw/zinc/23/49/42/745234942.db2.gz VMKBERIBLLCYCD-CVEARBPZSA-N 2 2 348.491 0.696 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC000983902852 745481058 /nfs/dbraw/zinc/48/10/58/745481058.db2.gz YVDXOSFXVCWUJI-KKUMJFAQSA-N 2 2 330.436 0.195 20 30 ECEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053075 747159847 /nfs/dbraw/zinc/15/98/47/747159847.db2.gz SXBFEGYBKZLNHV-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@@H]2C1 ZINC001088053075 747159850 /nfs/dbraw/zinc/15/98/50/747159850.db2.gz SXBFEGYBKZLNHV-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053075 747159855 /nfs/dbraw/zinc/15/98/55/747159855.db2.gz SXBFEGYBKZLNHV-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@@H]2C1 ZINC001088053075 747159860 /nfs/dbraw/zinc/15/98/60/747159860.db2.gz SXBFEGYBKZLNHV-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001002521226 747464584 /nfs/dbraw/zinc/46/45/84/747464584.db2.gz AKZQYCSBRHHEIH-GOSISDBHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001002521226 747464589 /nfs/dbraw/zinc/46/45/89/747464589.db2.gz AKZQYCSBRHHEIH-GOSISDBHSA-N 2 2 342.443 0.969 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208801 747750235 /nfs/dbraw/zinc/75/02/35/747750235.db2.gz SASMHEUQWGWYRD-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208801 747750237 /nfs/dbraw/zinc/75/02/37/747750237.db2.gz SASMHEUQWGWYRD-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](CC)C(N)=O)CC1 ZINC001029596998 747854852 /nfs/dbraw/zinc/85/48/52/747854852.db2.gz GDZNXTXPKCXKRL-IXDOHACOSA-N 2 2 346.475 0.271 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3[C@H](C)C(=O)NC)CC1 ZINC001029597215 747855320 /nfs/dbraw/zinc/85/53/20/747855320.db2.gz MHRLMGGJNMFRNZ-OIISXLGYSA-N 2 2 346.475 0.141 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)C(=O)NC)CC1 ZINC001029597215 747855328 /nfs/dbraw/zinc/85/53/28/747855328.db2.gz MHRLMGGJNMFRNZ-OIISXLGYSA-N 2 2 346.475 0.141 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001003054908 748122846 /nfs/dbraw/zinc/12/28/46/748122846.db2.gz CGMJJZJNSVPHRX-HOCLYGCPSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC001003054908 748122852 /nfs/dbraw/zinc/12/28/52/748122852.db2.gz CGMJJZJNSVPHRX-HOCLYGCPSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001028601121 753876519 /nfs/dbraw/zinc/87/65/19/753876519.db2.gz JLSKVFHIYAGDAT-WBVHZDCISA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001028601121 753876522 /nfs/dbraw/zinc/87/65/22/753876522.db2.gz JLSKVFHIYAGDAT-WBVHZDCISA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001028601121 753876529 /nfs/dbraw/zinc/87/65/29/753876529.db2.gz JLSKVFHIYAGDAT-WBVHZDCISA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001028601121 753876538 /nfs/dbraw/zinc/87/65/38/753876538.db2.gz JLSKVFHIYAGDAT-WBVHZDCISA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001028601120 753876953 /nfs/dbraw/zinc/87/69/53/753876953.db2.gz JLSKVFHIYAGDAT-RDJZCZTQSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001028601120 753876957 /nfs/dbraw/zinc/87/69/57/753876957.db2.gz JLSKVFHIYAGDAT-RDJZCZTQSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001028601120 753876966 /nfs/dbraw/zinc/87/69/66/753876966.db2.gz JLSKVFHIYAGDAT-RDJZCZTQSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001028601120 753876975 /nfs/dbraw/zinc/87/69/75/753876975.db2.gz JLSKVFHIYAGDAT-RDJZCZTQSA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001028601855 753888046 /nfs/dbraw/zinc/88/80/46/753888046.db2.gz WFXGSQJGVFCTDE-WBVHZDCISA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001028601855 753888051 /nfs/dbraw/zinc/88/80/51/753888051.db2.gz WFXGSQJGVFCTDE-WBVHZDCISA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001028601855 753888057 /nfs/dbraw/zinc/88/80/57/753888057.db2.gz WFXGSQJGVFCTDE-WBVHZDCISA-N 2 2 329.448 0.456 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001028601855 753888064 /nfs/dbraw/zinc/88/80/64/753888064.db2.gz WFXGSQJGVFCTDE-WBVHZDCISA-N 2 2 329.448 0.456 20 30 ECEDLP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105673788 755805591 /nfs/dbraw/zinc/80/55/91/755805591.db2.gz PCJIMKNGJMKXHT-RWQQGDIJSA-N 2 2 344.459 0.873 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@@H]1O ZINC001083535926 755975834 /nfs/dbraw/zinc/97/58/34/755975834.db2.gz UPVHAYLKYRABQF-IKGGRYGDSA-N 2 2 347.484 0.550 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@@H]1O ZINC001083535926 755975838 /nfs/dbraw/zinc/97/58/38/755975838.db2.gz UPVHAYLKYRABQF-IKGGRYGDSA-N 2 2 347.484 0.550 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cccs2)C[C@@H]1O ZINC001083535926 755975842 /nfs/dbraw/zinc/97/58/42/755975842.db2.gz UPVHAYLKYRABQF-IKGGRYGDSA-N 2 2 347.484 0.550 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cccs2)C[C@@H]1O ZINC001083535926 755975845 /nfs/dbraw/zinc/97/58/45/755975845.db2.gz UPVHAYLKYRABQF-IKGGRYGDSA-N 2 2 347.484 0.550 20 30 ECEDLP C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3[nH]cc[nH+]3)nn2)C1 ZINC001107166820 757230011 /nfs/dbraw/zinc/23/00/11/757230011.db2.gz CMSDDPCBMXINPU-UHFFFAOYSA-N 2 2 329.408 0.683 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncccn3)C[C@@H]2C1 ZINC001048868929 757234469 /nfs/dbraw/zinc/23/44/69/757234469.db2.gz RIOIEBBDMLPPDB-BBWFWOEESA-N 2 2 339.443 0.464 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncccn3)C[C@@H]2C1 ZINC001048868929 757234477 /nfs/dbraw/zinc/23/44/77/757234477.db2.gz RIOIEBBDMLPPDB-BBWFWOEESA-N 2 2 339.443 0.464 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncccn3)C[C@@H]2C1 ZINC001048868929 757234482 /nfs/dbraw/zinc/23/44/82/757234482.db2.gz RIOIEBBDMLPPDB-BBWFWOEESA-N 2 2 339.443 0.464 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncccn3)C[C@@H]2C1 ZINC001048868929 757234490 /nfs/dbraw/zinc/23/44/90/757234490.db2.gz RIOIEBBDMLPPDB-BBWFWOEESA-N 2 2 339.443 0.464 20 30 ECEDLP C=CCCC[NH+]1CC(n2cc(CNC(=O)Cn3c[nH+]cc3C)nn2)C1 ZINC001107185172 757358387 /nfs/dbraw/zinc/35/83/87/757358387.db2.gz LEFFBUSWRFMLRF-UHFFFAOYSA-N 2 2 343.435 0.922 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)nn2)C1 ZINC001107205657 757635111 /nfs/dbraw/zinc/63/51/11/757635111.db2.gz BRWGWPFUZRYBHA-MRXNPFEDSA-N 2 2 334.468 0.913 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)nn2)C1 ZINC001107206876 757723581 /nfs/dbraw/zinc/72/35/81/757723581.db2.gz QVQCOXAEAJACSA-MRXNPFEDSA-N 2 2 332.452 0.361 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1 ZINC001021927901 758072729 /nfs/dbraw/zinc/07/27/29/758072729.db2.gz JJVXFTLJWZJYHD-UXLLHSPISA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1 ZINC001021927901 758072743 /nfs/dbraw/zinc/07/27/43/758072743.db2.gz JJVXFTLJWZJYHD-UXLLHSPISA-N 2 2 346.406 0.765 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nocc2C)C1 ZINC001051660533 762618881 /nfs/dbraw/zinc/61/88/81/762618881.db2.gz WCUZUTKDTDNSLF-RDJZCZTQSA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2nocc2C)C1 ZINC001051660533 762618886 /nfs/dbraw/zinc/61/88/86/762618886.db2.gz WCUZUTKDTDNSLF-RDJZCZTQSA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077159308 758377827 /nfs/dbraw/zinc/37/78/27/758377827.db2.gz YRRQKYPARAIDRD-QLFBSQMISA-N 2 2 341.402 0.291 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077159308 758377838 /nfs/dbraw/zinc/37/78/38/758377838.db2.gz YRRQKYPARAIDRD-QLFBSQMISA-N 2 2 341.402 0.291 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077159308 758377848 /nfs/dbraw/zinc/37/78/48/758377848.db2.gz YRRQKYPARAIDRD-QLFBSQMISA-N 2 2 341.402 0.291 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@H]1O ZINC001077159308 758377857 /nfs/dbraw/zinc/37/78/57/758377857.db2.gz YRRQKYPARAIDRD-QLFBSQMISA-N 2 2 341.402 0.291 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C(C)(C)C2)CC1 ZINC000996669709 758430900 /nfs/dbraw/zinc/43/09/00/758430900.db2.gz HMNBBBPCFZOBKS-MRXNPFEDSA-N 2 2 345.447 0.741 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)C1=O ZINC000996718329 758603222 /nfs/dbraw/zinc/60/32/22/758603222.db2.gz XRGAHYDTYWHQCT-LSDHHAIUSA-N 2 2 345.447 0.497 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001032201695 759580984 /nfs/dbraw/zinc/58/09/84/759580984.db2.gz IOZUQDGRICPHHO-MRXNPFEDSA-N 2 2 348.472 0.888 20 30 ECEDLP CC[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001032201695 759580989 /nfs/dbraw/zinc/58/09/89/759580989.db2.gz IOZUQDGRICPHHO-MRXNPFEDSA-N 2 2 348.472 0.888 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2nc(C)nc2C)C1 ZINC001014775317 763134692 /nfs/dbraw/zinc/13/46/92/763134692.db2.gz MHXNUYQIXDLBQL-SJORKVTESA-N 2 2 344.463 0.183 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCn2nc(C)nc2C)C1 ZINC001014775317 763134702 /nfs/dbraw/zinc/13/47/02/763134702.db2.gz MHXNUYQIXDLBQL-SJORKVTESA-N 2 2 344.463 0.183 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCn2nc(C)nc2C)C1 ZINC001014775317 763134712 /nfs/dbraw/zinc/13/47/12/763134712.db2.gz MHXNUYQIXDLBQL-SJORKVTESA-N 2 2 344.463 0.183 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCn2nc(C)nc2C)C1 ZINC001014775317 763134722 /nfs/dbraw/zinc/13/47/22/763134722.db2.gz MHXNUYQIXDLBQL-SJORKVTESA-N 2 2 344.463 0.183 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCc2nc(C)no2)C1 ZINC001014777188 763136427 /nfs/dbraw/zinc/13/64/27/763136427.db2.gz UJXMNECWMSMKKT-HOTGVXAUSA-N 2 2 345.447 0.599 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCc2nc(C)no2)C1 ZINC001014777188 763136435 /nfs/dbraw/zinc/13/64/35/763136435.db2.gz UJXMNECWMSMKKT-HOTGVXAUSA-N 2 2 345.447 0.599 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCc2nc(C)no2)C1 ZINC001014777188 763136445 /nfs/dbraw/zinc/13/64/45/763136445.db2.gz UJXMNECWMSMKKT-HOTGVXAUSA-N 2 2 345.447 0.599 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCc2nc(C)no2)C1 ZINC001014777188 763136452 /nfs/dbraw/zinc/13/64/52/763136452.db2.gz UJXMNECWMSMKKT-HOTGVXAUSA-N 2 2 345.447 0.599 20 30 ECEDLP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001031869398 763184073 /nfs/dbraw/zinc/18/40/73/763184073.db2.gz UTRZFQQBZQQQGD-SJORKVTESA-N 2 2 337.464 0.490 20 30 ECEDLP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001052001753 763559774 /nfs/dbraw/zinc/55/97/74/763559774.db2.gz XYHVSLQPPYVHJP-IRXDYDNUSA-N 2 2 336.480 0.112 20 30 ECEDLP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001052001753 763559783 /nfs/dbraw/zinc/55/97/83/763559783.db2.gz XYHVSLQPPYVHJP-IRXDYDNUSA-N 2 2 336.480 0.112 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031781 763633657 /nfs/dbraw/zinc/63/36/57/763633657.db2.gz WRCZPLKKXKYDPP-FGTMMUONSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001052031781 763633663 /nfs/dbraw/zinc/63/36/63/763633663.db2.gz WRCZPLKKXKYDPP-FGTMMUONSA-N 2 2 332.492 0.568 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036887 763652459 /nfs/dbraw/zinc/65/24/59/763652459.db2.gz WXHFZOBOOCOLIO-QZTJIDSGSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC=C)CC2)C1 ZINC001052037287 763654240 /nfs/dbraw/zinc/65/42/40/763654240.db2.gz JWDAABBWNQCLEN-MSOLQXFVSA-N 2 2 330.476 0.489 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC=C)CC2)C1 ZINC001052037287 763654246 /nfs/dbraw/zinc/65/42/46/763654246.db2.gz JWDAABBWNQCLEN-MSOLQXFVSA-N 2 2 330.476 0.489 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052081684 763799461 /nfs/dbraw/zinc/79/94/61/763799461.db2.gz FBRFKLBABKZHIZ-SFHVURJKSA-N 2 2 346.519 0.960 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052081684 763799463 /nfs/dbraw/zinc/79/94/63/763799463.db2.gz FBRFKLBABKZHIZ-SFHVURJKSA-N 2 2 346.519 0.960 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106343042 768169786 /nfs/dbraw/zinc/16/97/86/768169786.db2.gz NRLVGDUTXQOLNX-IXDOHACOSA-N 2 2 344.459 0.779 20 30 ECEDLP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001052118760 763933634 /nfs/dbraw/zinc/93/36/34/763933634.db2.gz WXCVETHCAJQSOJ-KRWDZBQOSA-N 2 2 329.448 0.433 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052122042 763945086 /nfs/dbraw/zinc/94/50/86/763945086.db2.gz LLGZHYNPJVXYQA-SFHVURJKSA-N 2 2 343.475 0.074 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001047388701 764188174 /nfs/dbraw/zinc/18/81/74/764188174.db2.gz IOMKKQRUSQSNJQ-HOTGVXAUSA-N 2 2 332.448 0.842 20 30 ECEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001047388701 764188182 /nfs/dbraw/zinc/18/81/82/764188182.db2.gz IOMKKQRUSQSNJQ-HOTGVXAUSA-N 2 2 332.448 0.842 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001047434885 764335751 /nfs/dbraw/zinc/33/57/51/764335751.db2.gz ANFSXJADEKTVJP-XIRDDKMYSA-N 2 2 332.448 0.915 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001047434885 764335755 /nfs/dbraw/zinc/33/57/55/764335755.db2.gz ANFSXJADEKTVJP-XIRDDKMYSA-N 2 2 332.448 0.915 20 30 ECEDLP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)nn1 ZINC001098784944 768211430 /nfs/dbraw/zinc/21/14/30/768211430.db2.gz NSTMNFRUJSXZKX-HZPDHXFCSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)nn1 ZINC001098784944 768211435 /nfs/dbraw/zinc/21/14/35/768211435.db2.gz NSTMNFRUJSXZKX-HZPDHXFCSA-N 2 2 348.451 0.048 20 30 ECEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107011537 764664399 /nfs/dbraw/zinc/66/43/99/764664399.db2.gz GHRNCKNAWNJIJO-NXHRZFHOSA-N 2 2 333.476 0.805 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001052582315 764797761 /nfs/dbraw/zinc/79/77/61/764797761.db2.gz NFISYPULPMNZIN-KSZLIROESA-N 2 2 349.475 0.470 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001052582315 764797770 /nfs/dbraw/zinc/79/77/70/764797770.db2.gz NFISYPULPMNZIN-KSZLIROESA-N 2 2 349.475 0.470 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001015901111 765515765 /nfs/dbraw/zinc/51/57/65/765515765.db2.gz ZAVYZJSMGNWZLA-IAGOWNOFSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001015901111 765515770 /nfs/dbraw/zinc/51/57/70/765515770.db2.gz ZAVYZJSMGNWZLA-IAGOWNOFSA-N 2 2 348.491 0.696 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCOC3(C[NH+](CCCF)C3)C2)CC1 ZINC001053540791 766306038 /nfs/dbraw/zinc/30/60/38/766306038.db2.gz HDLYAVDKQSGVEF-UHFFFAOYSA-N 2 2 337.439 0.604 20 30 ECEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)O2 ZINC001053598827 766404434 /nfs/dbraw/zinc/40/44/34/766404434.db2.gz FTYINFHNYXAANZ-OAHLLOKOSA-N 2 2 347.463 0.594 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)O2 ZINC001053649516 766510644 /nfs/dbraw/zinc/51/06/44/766510644.db2.gz OBEBNCHXRLNDFV-IRXDYDNUSA-N 2 2 349.475 0.469 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649516 766510648 /nfs/dbraw/zinc/51/06/48/766510648.db2.gz OBEBNCHXRLNDFV-IRXDYDNUSA-N 2 2 349.475 0.469 20 30 ECEDLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046056860 766810704 /nfs/dbraw/zinc/81/07/04/766810704.db2.gz VKDBJPJTBFTZGO-MSOLQXFVSA-N 2 2 347.507 0.850 20 30 ECEDLP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046056860 766810719 /nfs/dbraw/zinc/81/07/19/766810719.db2.gz VKDBJPJTBFTZGO-MSOLQXFVSA-N 2 2 347.507 0.850 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001046062535 766836112 /nfs/dbraw/zinc/83/61/12/766836112.db2.gz WBXHNJCOURLATP-CVEARBPZSA-N 2 2 341.459 0.681 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)CC2)C1 ZINC001046062535 766836123 /nfs/dbraw/zinc/83/61/23/766836123.db2.gz WBXHNJCOURLATP-CVEARBPZSA-N 2 2 341.459 0.681 20 30 ECEDLP CC(C)[NH+]1CCC(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046075228 766894531 /nfs/dbraw/zinc/89/45/31/766894531.db2.gz PULNIQKRFDUUQP-SFHVURJKSA-N 2 2 347.507 0.849 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001046077244 766906682 /nfs/dbraw/zinc/90/66/82/766906682.db2.gz SXOBSNIPOGABMA-MRXNPFEDSA-N 2 2 343.475 0.929 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001046077244 766906685 /nfs/dbraw/zinc/90/66/85/766906685.db2.gz SXOBSNIPOGABMA-MRXNPFEDSA-N 2 2 343.475 0.929 20 30 ECEDLP C#CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001054036080 767634978 /nfs/dbraw/zinc/63/49/78/767634978.db2.gz BETALKLDJSOWLZ-RBUKOAKNSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CCC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001054036080 767634982 /nfs/dbraw/zinc/63/49/82/767634982.db2.gz BETALKLDJSOWLZ-RBUKOAKNSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001054036080 767634988 /nfs/dbraw/zinc/63/49/88/767634988.db2.gz BETALKLDJSOWLZ-RBUKOAKNSA-N 2 2 341.455 0.883 20 30 ECEDLP C#CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001054036080 767634992 /nfs/dbraw/zinc/63/49/92/767634992.db2.gz BETALKLDJSOWLZ-RBUKOAKNSA-N 2 2 341.455 0.883 20 30 ECEDLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055631030 769302313 /nfs/dbraw/zinc/30/23/13/769302313.db2.gz CGQRBJFHZQDFHV-CYBMUJFWSA-N 2 2 346.435 0.048 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nnc(CC)o3)C2)CC1 ZINC001019814269 771829079 /nfs/dbraw/zinc/82/90/79/771829079.db2.gz WKHBBQUFDBVAFH-HNNXBMFYSA-N 2 2 345.447 0.668 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nncs3)C2)CC1 ZINC001019816039 771831561 /nfs/dbraw/zinc/83/15/61/771831561.db2.gz RCTWBNNKDKQMII-AWEZNQCLSA-N 2 2 333.461 0.574 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001045290110 775329148 /nfs/dbraw/zinc/32/91/48/775329148.db2.gz FHZVMLKQNHZSRD-GJZGRUSLSA-N 2 2 345.447 0.628 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1n1ccnn1 ZINC001070222870 783689538 /nfs/dbraw/zinc/68/95/38/783689538.db2.gz WVYVRZQAOVJOKJ-CVEARBPZSA-N 2 2 335.371 0.443 20 30 ECEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1 ZINC001070234862 783714250 /nfs/dbraw/zinc/71/42/50/783714250.db2.gz LIVSIQCDVDELEA-KGLIPLIRSA-N 2 2 349.826 0.577 20 30 ECEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070247122 783735575 /nfs/dbraw/zinc/73/55/75/783735575.db2.gz CISIGUMZMBWRHS-KGLIPLIRSA-N 2 2 349.826 0.659 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@H](C)O2 ZINC001071226168 784784052 /nfs/dbraw/zinc/78/40/52/784784052.db2.gz VMOAICNNPDFIGP-MAUKXSAKSA-N 2 2 330.432 0.678 20 30 ECEDLP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@H](C)O2 ZINC001071226168 784784057 /nfs/dbraw/zinc/78/40/57/784784057.db2.gz VMOAICNNPDFIGP-MAUKXSAKSA-N 2 2 330.432 0.678 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3OCC[N@@H+](CCOC)[C@@H]3C2)CC1 ZINC001074409606 786893517 /nfs/dbraw/zinc/89/35/17/786893517.db2.gz FEGLXXIMENSIRZ-MSOLQXFVSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3OCC[N@H+](CCOC)[C@@H]3C2)CC1 ZINC001074409606 786893524 /nfs/dbraw/zinc/89/35/24/786893524.db2.gz FEGLXXIMENSIRZ-MSOLQXFVSA-N 2 2 349.475 0.280 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664863 786912681 /nfs/dbraw/zinc/91/26/81/786912681.db2.gz QRCBUFHZTGTJPD-NVXWUHKLSA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664863 786912689 /nfs/dbraw/zinc/91/26/89/786912689.db2.gz QRCBUFHZTGTJPD-NVXWUHKLSA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764877 787157487 /nfs/dbraw/zinc/15/74/87/787157487.db2.gz MPHJTVXYNDOARV-WMZOPIPTSA-N 2 2 344.459 0.984 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764877 787157491 /nfs/dbraw/zinc/15/74/91/787157491.db2.gz MPHJTVXYNDOARV-WMZOPIPTSA-N 2 2 344.459 0.984 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001073859352 787379348 /nfs/dbraw/zinc/37/93/48/787379348.db2.gz IBUZCNXTFZLGGF-HNNXBMFYSA-N 2 2 330.432 0.992 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001073859352 787379359 /nfs/dbraw/zinc/37/93/59/787379359.db2.gz IBUZCNXTFZLGGF-HNNXBMFYSA-N 2 2 330.432 0.992 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)C2)C1 ZINC001072757533 788730884 /nfs/dbraw/zinc/73/08/84/788730884.db2.gz MDUNGJZUTLNUOZ-INIZCTEOSA-N 2 2 327.432 0.958 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)C2)C1 ZINC001072757533 788730890 /nfs/dbraw/zinc/73/08/90/788730890.db2.gz MDUNGJZUTLNUOZ-INIZCTEOSA-N 2 2 327.432 0.958 20 30 ECEDLP C#CC[N@H+]1CCC2(CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C2)C1 ZINC001072757533 788730896 /nfs/dbraw/zinc/73/08/96/788730896.db2.gz MDUNGJZUTLNUOZ-INIZCTEOSA-N 2 2 327.432 0.958 20 30 ECEDLP C#CC[N@@H+]1CCC2(CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C2)C1 ZINC001072757533 788730900 /nfs/dbraw/zinc/73/09/00/788730900.db2.gz MDUNGJZUTLNUOZ-INIZCTEOSA-N 2 2 327.432 0.958 20 30 ECEDLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCC[NH+]1CCN(CC#N)CC1)CC2 ZINC001266271331 835592917 /nfs/dbraw/zinc/59/29/17/835592917.db2.gz KMRWDKNUIITXQX-INIZCTEOSA-N 2 2 344.463 0.401 20 30 ECEDLP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1=O ZINC001266280624 835608706 /nfs/dbraw/zinc/60/87/06/835608706.db2.gz MEKJDARGKLDNQN-HZPDHXFCSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1=O ZINC001266280624 835608708 /nfs/dbraw/zinc/60/87/08/835608708.db2.gz MEKJDARGKLDNQN-HZPDHXFCSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2CCC)C1=O ZINC001266280624 835608714 /nfs/dbraw/zinc/60/87/14/835608714.db2.gz MEKJDARGKLDNQN-HZPDHXFCSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2CCC)C1=O ZINC001266280624 835608716 /nfs/dbraw/zinc/60/87/16/835608716.db2.gz MEKJDARGKLDNQN-HZPDHXFCSA-N 2 2 336.480 0.696 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266348212 835741527 /nfs/dbraw/zinc/74/15/27/835741527.db2.gz XSJMKEVVTAOUMP-QGZVFWFLSA-N 2 2 342.443 0.302 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266348212 835741535 /nfs/dbraw/zinc/74/15/35/835741535.db2.gz XSJMKEVVTAOUMP-QGZVFWFLSA-N 2 2 342.443 0.302 20 30 ECEDLP N#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001266495893 835895428 /nfs/dbraw/zinc/89/54/28/835895428.db2.gz WVXKZXUXRVVJIP-OAHLLOKOSA-N 2 2 335.452 0.083 20 30 ECEDLP N#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001266495893 835895436 /nfs/dbraw/zinc/89/54/36/835895436.db2.gz WVXKZXUXRVVJIP-OAHLLOKOSA-N 2 2 335.452 0.083 20 30 ECEDLP CC(C)C[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)n1cc[nH+]c1 ZINC001266532194 835949627 /nfs/dbraw/zinc/94/96/27/835949627.db2.gz YISAJGIAAVIXDI-GJZGRUSLSA-N 2 2 346.435 0.301 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001266897729 836449194 /nfs/dbraw/zinc/44/91/94/836449194.db2.gz PQRIBNNMFSKUJG-HUUCEWRRSA-N 2 2 333.436 0.402 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001266897729 836449200 /nfs/dbraw/zinc/44/92/00/836449200.db2.gz PQRIBNNMFSKUJG-HUUCEWRRSA-N 2 2 333.436 0.402 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267073578 836720529 /nfs/dbraw/zinc/72/05/29/836720529.db2.gz VMGCOXSIQDRGDY-JKSUJKDBSA-N 2 2 345.447 0.239 20 30 ECEDLP CC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001267237317 837044948 /nfs/dbraw/zinc/04/49/48/837044948.db2.gz HMGLIFAXVLFTOJ-SFHVURJKSA-N 2 2 347.434 0.946 20 30 ECEDLP CC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001267237317 837044958 /nfs/dbraw/zinc/04/49/58/837044958.db2.gz HMGLIFAXVLFTOJ-SFHVURJKSA-N 2 2 347.434 0.946 20 30 ECEDLP CC[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267237317 837044968 /nfs/dbraw/zinc/04/49/68/837044968.db2.gz HMGLIFAXVLFTOJ-SFHVURJKSA-N 2 2 347.434 0.946 20 30 ECEDLP CC[NH+](CC#Cc1ccc(F)cc1)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267237317 837044981 /nfs/dbraw/zinc/04/49/81/837044981.db2.gz HMGLIFAXVLFTOJ-SFHVURJKSA-N 2 2 347.434 0.946 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC(=O)NCC)C2CC2)CC1 ZINC001267338430 837221797 /nfs/dbraw/zinc/22/17/97/837221797.db2.gz WYOZEAVBMXFXTH-UHFFFAOYSA-N 2 2 334.464 0.048 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC(=O)NCC)C2CC2)CC1 ZINC001267338430 837221805 /nfs/dbraw/zinc/22/18/05/837221805.db2.gz WYOZEAVBMXFXTH-UHFFFAOYSA-N 2 2 334.464 0.048 20 30 ECEDLP CN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267360145 837250666 /nfs/dbraw/zinc/25/06/66/837250666.db2.gz XYZQJHRUCOIQSO-MRXNPFEDSA-N 2 2 334.395 0.576 20 30 ECEDLP CN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267360145 837250672 /nfs/dbraw/zinc/25/06/72/837250672.db2.gz XYZQJHRUCOIQSO-MRXNPFEDSA-N 2 2 334.395 0.576 20 30 ECEDLP CC[C@H](C(=O)N(C)CCN1CC[NH+](CC#CCOC)CC1)[NH+](C)C ZINC001267617545 838038793 /nfs/dbraw/zinc/03/87/93/838038793.db2.gz DBCAEONTEHZRAU-QGZVFWFLSA-N 2 2 338.496 0.052 20 30 ECEDLP CC[C@H](C(=O)N(C)CC[NH+]1CCN(CC#CCOC)CC1)[NH+](C)C ZINC001267617545 838038801 /nfs/dbraw/zinc/03/88/01/838038801.db2.gz DBCAEONTEHZRAU-QGZVFWFLSA-N 2 2 338.496 0.052 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267753806 838477062 /nfs/dbraw/zinc/47/70/62/838477062.db2.gz FQTRSWSUKFZVAF-QGZVFWFLSA-N 2 2 344.459 0.855 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267753806 838477064 /nfs/dbraw/zinc/47/70/64/838477064.db2.gz FQTRSWSUKFZVAF-QGZVFWFLSA-N 2 2 344.459 0.855 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267775279 838538211 /nfs/dbraw/zinc/53/82/11/838538211.db2.gz PYFTXAFXCIZPKV-INIZCTEOSA-N 2 2 336.480 0.553 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267775279 838538215 /nfs/dbraw/zinc/53/82/15/838538215.db2.gz PYFTXAFXCIZPKV-INIZCTEOSA-N 2 2 336.480 0.553 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000246796291 165142825 /nfs/dbraw/zinc/14/28/25/165142825.db2.gz PGWJSZRRCQPAEM-ROUUACIJSA-N 2 2 345.443 0.952 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000246796291 165142827 /nfs/dbraw/zinc/14/28/27/165142827.db2.gz PGWJSZRRCQPAEM-ROUUACIJSA-N 2 2 345.443 0.952 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC000081670062 436355201 /nfs/dbraw/zinc/35/52/01/436355201.db2.gz CQPKJTYDESMSBU-QGZVFWFLSA-N 2 2 348.491 0.248 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC000081670062 436355202 /nfs/dbraw/zinc/35/52/02/436355202.db2.gz CQPKJTYDESMSBU-QGZVFWFLSA-N 2 2 348.491 0.248 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000163076419 436916797 /nfs/dbraw/zinc/91/67/97/436916797.db2.gz LFDDSIMIBRTQSM-UHFFFAOYSA-N 2 2 332.492 0.714 20 30 ECEDLP C=CCN1CC[C@@H]([NH+](C)CCC[N@@H+](C)[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000281480422 436973258 /nfs/dbraw/zinc/97/32/58/436973258.db2.gz WNNLCPZHRYHIHQ-IAGOWNOFSA-N 2 2 348.491 0.814 20 30 ECEDLP C=CCN1CC[C@@H]([NH+](C)CCC[N@H+](C)[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000281480422 436973262 /nfs/dbraw/zinc/97/32/62/436973262.db2.gz WNNLCPZHRYHIHQ-IAGOWNOFSA-N 2 2 348.491 0.814 20 30 ECEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)C(C)C ZINC000284213012 437053695 /nfs/dbraw/zinc/05/36/95/437053695.db2.gz WWOBQGVEHQPCHC-OAHLLOKOSA-N 2 2 347.463 0.851 20 30 ECEDLP Cn1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1C#N ZINC000289949059 437451002 /nfs/dbraw/zinc/45/10/02/437451002.db2.gz XTEFZFXCQAOTSB-UHFFFAOYSA-N 2 2 329.448 0.883 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424277783 437921037 /nfs/dbraw/zinc/92/10/37/437921037.db2.gz CKZMIWFETJHCQL-MRXNPFEDSA-N 2 2 334.439 0.788 20 30 ECEDLP C=CCNC(=O)CN1CC[NH+](C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424277783 437921042 /nfs/dbraw/zinc/92/10/42/437921042.db2.gz CKZMIWFETJHCQL-MRXNPFEDSA-N 2 2 334.439 0.788 20 30 ECEDLP N#CCCC[C@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000424158983 437895908 /nfs/dbraw/zinc/89/59/08/437895908.db2.gz RTGPNLIEYSWPNK-DZGCQCFKSA-N 2 2 326.466 0.332 20 30 ECEDLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366354313 438058440 /nfs/dbraw/zinc/05/84/40/438058440.db2.gz LJEVAEITZLQBAX-HNNXBMFYSA-N 2 2 329.404 0.180 20 30 ECEDLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366354313 438058444 /nfs/dbraw/zinc/05/84/44/438058444.db2.gz LJEVAEITZLQBAX-HNNXBMFYSA-N 2 2 329.404 0.180 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000369280558 438448990 /nfs/dbraw/zinc/44/89/90/438448990.db2.gz RHQRZAGXIBHJKY-QGZVFWFLSA-N 3 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000369280558 438448995 /nfs/dbraw/zinc/44/89/95/438448995.db2.gz RHQRZAGXIBHJKY-QGZVFWFLSA-N 3 2 346.519 0.959 20 30 ECEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)C1 ZINC000370080533 438549669 /nfs/dbraw/zinc/54/96/69/438549669.db2.gz FZERADJMKOAQMT-ZACQAIPSSA-N 2 2 334.464 0.982 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccccc1CC#N ZINC000601464351 438906450 /nfs/dbraw/zinc/90/64/50/438906450.db2.gz NCEWAIMYXWEPOB-UHFFFAOYSA-N 2 2 338.477 0.914 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccccc1CC#N ZINC000601464351 438906455 /nfs/dbraw/zinc/90/64/55/438906455.db2.gz NCEWAIMYXWEPOB-UHFFFAOYSA-N 2 2 338.477 0.914 20 30 ECEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000578523171 438931511 /nfs/dbraw/zinc/93/15/11/438931511.db2.gz PBJAAWKOFPHNNW-IRXDYDNUSA-N 2 2 332.448 0.328 20 30 ECEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000578523171 438931517 /nfs/dbraw/zinc/93/15/17/438931517.db2.gz PBJAAWKOFPHNNW-IRXDYDNUSA-N 2 2 332.448 0.328 20 30 ECEDLP C=CCc1ccc(OCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(OC)c1 ZINC000518771579 439008950 /nfs/dbraw/zinc/00/89/50/439008950.db2.gz YPYXUTAFXAFPFL-HNNXBMFYSA-N 2 2 333.432 0.904 20 30 ECEDLP C=CCc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(OC)c1 ZINC000518771579 439008954 /nfs/dbraw/zinc/00/89/54/439008954.db2.gz YPYXUTAFXAFPFL-HNNXBMFYSA-N 2 2 333.432 0.904 20 30 ECEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000602989315 439178677 /nfs/dbraw/zinc/17/86/77/439178677.db2.gz LAWYBFOXCGHQFD-INIZCTEOSA-N 2 2 346.431 0.004 20 30 ECEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000602989315 439178681 /nfs/dbraw/zinc/17/86/81/439178681.db2.gz LAWYBFOXCGHQFD-INIZCTEOSA-N 2 2 346.431 0.004 20 30 ECEDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnc3c(C#N)cnn3c1)CCO2 ZINC000592525636 439245476 /nfs/dbraw/zinc/24/54/76/439245476.db2.gz BTVYEIXEGATJRG-UHFFFAOYSA-N 2 2 326.404 0.898 20 30 ECEDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnc3c(C#N)cnn3c1)CCO2 ZINC000592525636 439245481 /nfs/dbraw/zinc/24/54/81/439245481.db2.gz BTVYEIXEGATJRG-UHFFFAOYSA-N 2 2 326.404 0.898 20 30 ECEDLP Cc1cc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c(C#N)c[nH+]1 ZINC000603423946 439260399 /nfs/dbraw/zinc/26/03/99/439260399.db2.gz RQLXHWUNQFMKPM-QGZVFWFLSA-N 2 2 329.448 0.892 20 30 ECEDLP Cc1cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(C#N)c[nH+]1 ZINC000603423946 439260411 /nfs/dbraw/zinc/26/04/11/439260411.db2.gz RQLXHWUNQFMKPM-QGZVFWFLSA-N 2 2 329.448 0.892 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000491125754 439335972 /nfs/dbraw/zinc/33/59/72/439335972.db2.gz GTQGHIYDLCBKMA-KBPBESRZSA-N 2 2 347.381 0.257 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000491125754 439335974 /nfs/dbraw/zinc/33/59/74/439335974.db2.gz GTQGHIYDLCBKMA-KBPBESRZSA-N 2 2 347.381 0.257 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC000490779926 439297353 /nfs/dbraw/zinc/29/73/53/439297353.db2.gz CKFRXRUEWYMEHQ-INIZCTEOSA-N 2 2 329.448 0.062 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC000490779926 439297359 /nfs/dbraw/zinc/29/73/59/439297359.db2.gz CKFRXRUEWYMEHQ-INIZCTEOSA-N 2 2 329.448 0.062 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(CCC(=O)OC)CC2)CC1 ZINC000490865333 439305776 /nfs/dbraw/zinc/30/57/76/439305776.db2.gz AUIPIXKBYAGMIG-UHFFFAOYSA-N 2 2 335.448 0.429 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(C)CCCC[C@H]2C(=O)OC)CC1 ZINC000490917755 439311027 /nfs/dbraw/zinc/31/10/27/439311027.db2.gz ZFTRCXTYVGRKIE-MAUKXSAKSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000490917097 439311370 /nfs/dbraw/zinc/31/13/70/439311370.db2.gz VVKFMBWBGIJOSW-AWEZNQCLSA-N 2 2 329.400 0.843 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000491820795 439458107 /nfs/dbraw/zinc/45/81/07/439458107.db2.gz SQWAHJIHUSYBOX-LJQANCHMSA-N 2 2 349.475 0.818 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000491820795 439458114 /nfs/dbraw/zinc/45/81/14/439458114.db2.gz SQWAHJIHUSYBOX-LJQANCHMSA-N 2 2 349.475 0.818 20 30 ECEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000595106025 439654105 /nfs/dbraw/zinc/65/41/05/439654105.db2.gz GNFUMGPQWCKWEP-ZDUSSCGKSA-N 2 2 346.435 0.280 20 30 ECEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000595106025 439654109 /nfs/dbraw/zinc/65/41/09/439654109.db2.gz GNFUMGPQWCKWEP-ZDUSSCGKSA-N 2 2 346.435 0.280 20 30 ECEDLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600887100 439712401 /nfs/dbraw/zinc/71/24/01/439712401.db2.gz PDUMXEPJNYZGON-KRWDZBQOSA-N 2 2 340.427 0.800 20 30 ECEDLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCc3c(CC#N)cccc3C2)C1=O ZINC000600887100 439712405 /nfs/dbraw/zinc/71/24/05/439712405.db2.gz PDUMXEPJNYZGON-KRWDZBQOSA-N 2 2 340.427 0.800 20 30 ECEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600719654 439694892 /nfs/dbraw/zinc/69/48/92/439694892.db2.gz DFRPFBSNLJQZPD-JKSUJKDBSA-N 2 2 325.453 0.758 20 30 ECEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600719654 439694895 /nfs/dbraw/zinc/69/48/95/439694895.db2.gz DFRPFBSNLJQZPD-JKSUJKDBSA-N 2 2 325.453 0.758 20 30 ECEDLP C[NH+](C)[C@@H]1CCCC(=NNC(=S)NCC[NH+]2CCOCC2)C1 ZINC000788413668 578837070 /nfs/dbraw/zinc/83/70/70/578837070.db2.gz BDXLUEPXIFMEHU-CQSZACIVSA-N 2 2 327.498 0.643 20 30 ECEDLP C#C[C@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000775798177 579271556 /nfs/dbraw/zinc/27/15/56/579271556.db2.gz GMWXFNJPNIRLSL-ULQDDVLXSA-N 2 2 342.443 0.889 20 30 ECEDLP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCOCC3)cnc12 ZINC000897231443 586289639 /nfs/dbraw/zinc/28/96/39/586289639.db2.gz XCNZARDRVGQQGO-INIZCTEOSA-N 2 2 326.404 0.944 20 30 ECEDLP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCOCC3)cnc12 ZINC000897231443 586289640 /nfs/dbraw/zinc/28/96/40/586289640.db2.gz XCNZARDRVGQQGO-INIZCTEOSA-N 2 2 326.404 0.944 20 30 ECEDLP C[NH+](C)CCn1nccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000900456080 586632657 /nfs/dbraw/zinc/63/26/57/586632657.db2.gz IBYGFOCVHFZJSP-UHFFFAOYSA-N 2 2 348.451 0.133 20 30 ECEDLP CC(C)N1CC[NH+](CCCC(=O)NC2(C#N)CC[NH+](C)CC2)CC1 ZINC000900608038 586647343 /nfs/dbraw/zinc/64/73/43/586647343.db2.gz JNDXZAPLLZZRJP-UHFFFAOYSA-N 2 2 335.496 0.897 20 30 ECEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000818986170 587463467 /nfs/dbraw/zinc/46/34/67/587463467.db2.gz HHTOWMBNCNDCCR-SCTDSRPQSA-N 2 2 345.443 0.945 20 30 ECEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000818986170 587463469 /nfs/dbraw/zinc/46/34/69/587463469.db2.gz HHTOWMBNCNDCCR-SCTDSRPQSA-N 2 2 345.443 0.945 20 30 ECEDLP C[NH+]=C(NCCN1CCOCC1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000849056022 589318952 /nfs/dbraw/zinc/31/89/52/589318952.db2.gz PRUHNWXQZBXJIH-UHFFFAOYSA-N 2 2 343.435 0.265 20 30 ECEDLP CCNC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000109322468 589366498 /nfs/dbraw/zinc/36/64/98/589366498.db2.gz TYHIDDDGIJKBBS-UHFFFAOYSA-N 2 2 334.420 0.416 20 30 ECEDLP C#CCOCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000851779757 589422920 /nfs/dbraw/zinc/42/29/20/589422920.db2.gz WHILDWPHLDMLGR-UHFFFAOYSA-N 2 2 331.420 0.085 20 30 ECEDLP C#CCC1(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCOCC1 ZINC000888683216 590344521 /nfs/dbraw/zinc/34/45/21/590344521.db2.gz BMTYOPWXEVZYHK-UHFFFAOYSA-N 2 2 336.480 0.884 20 30 ECEDLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876753011 590409433 /nfs/dbraw/zinc/40/94/33/590409433.db2.gz GSKDIMGUCQCSAS-KRWDZBQOSA-N 2 2 342.443 0.972 20 30 ECEDLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876753011 590409435 /nfs/dbraw/zinc/40/94/35/590409435.db2.gz GSKDIMGUCQCSAS-KRWDZBQOSA-N 2 2 342.443 0.972 20 30 ECEDLP C=CC[C@@H](C(=O)OC)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000878246432 590509485 /nfs/dbraw/zinc/50/94/85/590509485.db2.gz PGUNEEZQZIHRBL-INIZCTEOSA-N 2 2 337.464 0.980 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(CO)CCc3ccccc32)CC1 ZINC000132387980 590634366 /nfs/dbraw/zinc/63/43/66/590634366.db2.gz ASLDZLXHOHSTSZ-IBGZPJMESA-N 2 2 327.428 0.187 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884045926 590716936 /nfs/dbraw/zinc/71/69/36/590716936.db2.gz LWPBQYHREOWKDQ-IXDOHACOSA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884045926 590716939 /nfs/dbraw/zinc/71/69/39/590716939.db2.gz LWPBQYHREOWKDQ-IXDOHACOSA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884045926 590716945 /nfs/dbraw/zinc/71/69/45/590716945.db2.gz LWPBQYHREOWKDQ-IXDOHACOSA-N 2 2 336.480 0.883 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000884045926 590716948 /nfs/dbraw/zinc/71/69/48/590716948.db2.gz LWPBQYHREOWKDQ-IXDOHACOSA-N 2 2 336.480 0.883 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000884180280 590765300 /nfs/dbraw/zinc/76/53/00/590765300.db2.gz RYRDBDJTYKCCGM-AWEZNQCLSA-N 2 2 337.445 0.839 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000884182818 590766145 /nfs/dbraw/zinc/76/61/45/590766145.db2.gz USESCHKENRTMSY-IHRRRGAJSA-N 2 2 341.452 0.437 20 30 ECEDLP C=C1[C@H](C(=O)N2CC[NH+](CC)CC2)[C@@H]1C(=O)N1CC[NH+](CC)CC1 ZINC000033340234 609974395 /nfs/dbraw/zinc/97/43/95/609974395.db2.gz QQRMUHPWGQCVHA-IYBDPMFKSA-N 2 2 334.464 0.117 20 30 ECEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)CCO2 ZINC000949061346 611835219 /nfs/dbraw/zinc/83/52/19/611835219.db2.gz YJQHBLPTAQHIIG-MRXNPFEDSA-N 2 2 335.448 0.034 20 30 ECEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)CCO2 ZINC000949061346 611835220 /nfs/dbraw/zinc/83/52/20/611835220.db2.gz YJQHBLPTAQHIIG-MRXNPFEDSA-N 2 2 335.448 0.034 20 30 ECEDLP C=CC[NH+]1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1 ZINC001165033396 721865016 /nfs/dbraw/zinc/86/50/16/721865016.db2.gz MRDWEHNFQTUNDL-UHFFFAOYSA-N 2 2 333.396 0.102 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000971950285 735429695 /nfs/dbraw/zinc/42/96/95/735429695.db2.gz SMQNYRNEQVVOJN-HZPDHXFCSA-N 2 2 345.447 0.511 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000971950285 735429697 /nfs/dbraw/zinc/42/96/97/735429697.db2.gz SMQNYRNEQVVOJN-HZPDHXFCSA-N 2 2 345.447 0.511 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nccc(C)n3)C2)CC1 ZINC000970791873 733942548 /nfs/dbraw/zinc/94/25/48/733942548.db2.gz AYNVDICUAKQBPS-QGZVFWFLSA-N 2 2 341.459 0.821 20 30 ECEDLP C[C@@H](CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1)n1cc[nH+]c1 ZINC001167348726 733964486 /nfs/dbraw/zinc/96/44/86/733964486.db2.gz SBCHRVRFWWHQKP-AWEZNQCLSA-N 2 2 346.435 0.350 20 30 ECEDLP N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001078179192 782440604 /nfs/dbraw/zinc/44/06/04/782440604.db2.gz YJVVICUBPYGYFJ-IAGOWNOFSA-N 2 2 328.416 0.315 20 30 ECEDLP N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001078179192 782440612 /nfs/dbraw/zinc/44/06/12/782440612.db2.gz YJVVICUBPYGYFJ-IAGOWNOFSA-N 2 2 328.416 0.315 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccnn2C)C1 ZINC000971703334 734964484 /nfs/dbraw/zinc/96/44/84/734964484.db2.gz DRWRXXIQMYAIJB-WBVHZDCISA-N 2 2 329.448 0.550 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccnn2C)C1 ZINC000971703334 734964486 /nfs/dbraw/zinc/96/44/86/734964486.db2.gz DRWRXXIQMYAIJB-WBVHZDCISA-N 2 2 329.448 0.550 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380113 736047844 /nfs/dbraw/zinc/04/78/44/736047844.db2.gz DVPCBQVALFAGCW-IEBWSBKVSA-N 2 2 331.460 0.655 20 30 ECEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380113 736047846 /nfs/dbraw/zinc/04/78/46/736047846.db2.gz DVPCBQVALFAGCW-IEBWSBKVSA-N 2 2 331.460 0.655 20 30 ECEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475516 736292232 /nfs/dbraw/zinc/29/22/32/736292232.db2.gz NXHPEKRPWBGDMN-JGJLBUBWSA-N 2 2 347.459 0.339 20 30 ECEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475516 736292234 /nfs/dbraw/zinc/29/22/34/736292234.db2.gz NXHPEKRPWBGDMN-JGJLBUBWSA-N 2 2 347.459 0.339 20 30 ECEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475516 736292237 /nfs/dbraw/zinc/29/22/37/736292237.db2.gz NXHPEKRPWBGDMN-JGJLBUBWSA-N 2 2 347.459 0.339 20 30 ECEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C2)C1 ZINC000972475516 736292239 /nfs/dbraw/zinc/29/22/39/736292239.db2.gz NXHPEKRPWBGDMN-JGJLBUBWSA-N 2 2 347.459 0.339 20 30 ECEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972678266 737358017 /nfs/dbraw/zinc/35/80/17/737358017.db2.gz VEOMGQBOPKOMDI-FUHWJXTLSA-N 2 2 337.464 0.444 20 30 ECEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972678266 737358023 /nfs/dbraw/zinc/35/80/23/737358023.db2.gz VEOMGQBOPKOMDI-FUHWJXTLSA-N 2 2 337.464 0.444 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001167742623 741259521 /nfs/dbraw/zinc/25/95/21/741259521.db2.gz QMGMETIOEHOBRJ-CQSZACIVSA-N 2 2 347.463 0.529 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001105260056 741583823 /nfs/dbraw/zinc/58/38/23/741583823.db2.gz ZCDCREGGLNLYDQ-UHFFFAOYSA-N 2 2 330.436 0.259 20 30 ECEDLP Cn1c[nH+]cc1CC(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1 ZINC000996796151 742878640 /nfs/dbraw/zinc/87/86/40/742878640.db2.gz TZDXJCIGBSZWFR-UHFFFAOYSA-N 2 2 344.463 0.531 20 30 ECEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261947581 742984019 /nfs/dbraw/zinc/98/40/19/742984019.db2.gz GJODJUORQDRMNG-CQSZACIVSA-N 2 2 344.525 0.945 20 30 ECEDLP CC[N@H+]1CCCC[C@@H]1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261947581 742984024 /nfs/dbraw/zinc/98/40/24/742984024.db2.gz GJODJUORQDRMNG-CQSZACIVSA-N 2 2 344.525 0.945 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3nnc(C)[nH]3)C2)CC1 ZINC001029004431 743163351 /nfs/dbraw/zinc/16/33/51/743163351.db2.gz XGOGQUWEIPZKKI-OAHLLOKOSA-N 2 2 344.463 0.396 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3nnc(C)[nH]3)C2)CC1 ZINC001029004431 743163354 /nfs/dbraw/zinc/16/33/54/743163354.db2.gz XGOGQUWEIPZKKI-OAHLLOKOSA-N 2 2 344.463 0.396 20 30 ECEDLP C[NH+]=C(NC[C@H]1CCCCO1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000262019347 743463072 /nfs/dbraw/zinc/46/30/72/743463072.db2.gz YMJDZMUGOPRSTR-OAHLLOKOSA-N 2 2 339.484 0.227 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC000998184708 744036194 /nfs/dbraw/zinc/03/61/94/744036194.db2.gz WTOSGPXNWKDBDY-HNNXBMFYSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C(F)(F)F ZINC000998305697 744110341 /nfs/dbraw/zinc/11/03/41/744110341.db2.gz RSBQTOFVQDNCLF-QWHCGFSZSA-N 2 2 328.338 0.965 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccc(C)n2)C1 ZINC000999390835 744671435 /nfs/dbraw/zinc/67/14/35/744671435.db2.gz ILIMWIPCMDSCIV-SJORKVTESA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccc(C)n2)C1 ZINC000999390835 744671437 /nfs/dbraw/zinc/67/14/37/744671437.db2.gz ILIMWIPCMDSCIV-SJORKVTESA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999393860 744672913 /nfs/dbraw/zinc/67/29/13/744672913.db2.gz ZAIQJCCNCDOMQR-WMZOPIPTSA-N 2 2 343.475 0.907 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999393860 744672915 /nfs/dbraw/zinc/67/29/15/744672915.db2.gz ZAIQJCCNCDOMQR-WMZOPIPTSA-N 2 2 343.475 0.907 20 30 ECEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027502084 744836478 /nfs/dbraw/zinc/83/64/78/744836478.db2.gz NTBKAXJLCCVTLB-KSZLIROESA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001027502084 744836480 /nfs/dbraw/zinc/83/64/80/744836480.db2.gz NTBKAXJLCCVTLB-KSZLIROESA-N 2 2 349.475 0.422 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001000559488 745594757 /nfs/dbraw/zinc/59/47/57/745594757.db2.gz HTXMIEOGACDNOV-ZIAGYGMSSA-N 2 2 331.420 0.320 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3nc(C)no3)C2)CC1 ZINC001000991970 745957508 /nfs/dbraw/zinc/95/75/08/745957508.db2.gz KRVUHHKHQZZMEI-MRXNPFEDSA-N 2 2 345.447 0.804 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC#Cc2ccccc2)C1 ZINC001027805324 747920126 /nfs/dbraw/zinc/92/01/26/747920126.db2.gz QXADGRZZMRKHDD-OALUTQOASA-N 2 2 341.455 0.949 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC#Cc2ccccc2)C1 ZINC001027805324 747920130 /nfs/dbraw/zinc/92/01/30/747920130.db2.gz QXADGRZZMRKHDD-OALUTQOASA-N 2 2 341.455 0.949 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001027805324 747920134 /nfs/dbraw/zinc/92/01/34/747920134.db2.gz QXADGRZZMRKHDD-OALUTQOASA-N 2 2 341.455 0.949 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccccc2)C1 ZINC001027805324 747920138 /nfs/dbraw/zinc/92/01/38/747920138.db2.gz QXADGRZZMRKHDD-OALUTQOASA-N 2 2 341.455 0.949 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cn(C)nn2)CC1 ZINC000985473075 748206724 /nfs/dbraw/zinc/20/67/24/748206724.db2.gz GGAHFWLPXSNSCA-KRWDZBQOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cn(C)nn2)CC1 ZINC000985473075 748206731 /nfs/dbraw/zinc/20/67/31/748206731.db2.gz GGAHFWLPXSNSCA-KRWDZBQOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2cn(C)nn2)CC1 ZINC000985473075 748206740 /nfs/dbraw/zinc/20/67/40/748206740.db2.gz GGAHFWLPXSNSCA-KRWDZBQOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2cn(C)nn2)CC1 ZINC000985473075 748206747 /nfs/dbraw/zinc/20/67/47/748206747.db2.gz GGAHFWLPXSNSCA-KRWDZBQOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)nn1 ZINC001098734686 749167309 /nfs/dbraw/zinc/16/73/09/749167309.db2.gz WGNMJQRSIDADNB-HOCLYGCPSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)nn1 ZINC001098734686 749167316 /nfs/dbraw/zinc/16/73/16/749167316.db2.gz WGNMJQRSIDADNB-HOCLYGCPSA-N 2 2 330.436 0.116 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001029914105 749586352 /nfs/dbraw/zinc/58/63/52/749586352.db2.gz QWPALEQHKCSBNJ-HZPDHXFCSA-N 2 2 345.447 0.450 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)nn1 ZINC001105354725 750490496 /nfs/dbraw/zinc/49/04/96/750490496.db2.gz UKUAWIIGIBMZPF-UHFFFAOYSA-N 2 2 344.463 0.505 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCc2cnn(C)c2)CC1 ZINC000981361490 750625903 /nfs/dbraw/zinc/62/59/03/750625903.db2.gz POFKLYQVMSNPBL-SFHVURJKSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCc2cnn(C)c2)CC1 ZINC000981361490 750625905 /nfs/dbraw/zinc/62/59/05/750625905.db2.gz POFKLYQVMSNPBL-SFHVURJKSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCc2cnn(C)c2)CC1 ZINC000981361490 750625907 /nfs/dbraw/zinc/62/59/07/750625907.db2.gz POFKLYQVMSNPBL-SFHVURJKSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCc2cnn(C)c2)CC1 ZINC000981361490 750625908 /nfs/dbraw/zinc/62/59/08/750625908.db2.gz POFKLYQVMSNPBL-SFHVURJKSA-N 2 2 343.475 0.595 20 30 ECEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001008022022 753205978 /nfs/dbraw/zinc/20/59/78/753205978.db2.gz BNUOBGUEORMHQQ-ZACQAIPSSA-N 2 2 337.464 0.633 20 30 ECEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001008022022 753205987 /nfs/dbraw/zinc/20/59/87/753205987.db2.gz BNUOBGUEORMHQQ-ZACQAIPSSA-N 2 2 337.464 0.633 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028712015 754793685 /nfs/dbraw/zinc/79/36/85/754793685.db2.gz JFJRKWLVVOYOII-ZWKOTPCHSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028712015 754793688 /nfs/dbraw/zinc/79/36/88/754793688.db2.gz JFJRKWLVVOYOII-ZWKOTPCHSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001028712015 754793690 /nfs/dbraw/zinc/79/36/90/754793690.db2.gz JFJRKWLVVOYOII-ZWKOTPCHSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001028712015 754793693 /nfs/dbraw/zinc/79/36/93/754793693.db2.gz JFJRKWLVVOYOII-ZWKOTPCHSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC001009629628 755090141 /nfs/dbraw/zinc/09/01/41/755090141.db2.gz TYAIGVWWCDLDNL-KRWDZBQOSA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)NC3CC3)C2)CC1 ZINC001009629628 755090145 /nfs/dbraw/zinc/09/01/45/755090145.db2.gz TYAIGVWWCDLDNL-KRWDZBQOSA-N 2 2 346.475 0.191 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076633265 756762886 /nfs/dbraw/zinc/76/28/86/756762886.db2.gz GGJNKJVYQXCPEK-HRCADAONSA-N 2 2 343.431 0.203 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076633265 756762888 /nfs/dbraw/zinc/76/28/88/756762888.db2.gz GGJNKJVYQXCPEK-HRCADAONSA-N 2 2 343.431 0.203 20 30 ECEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@H]2C1 ZINC001048960630 757521642 /nfs/dbraw/zinc/52/16/42/757521642.db2.gz GQPFKUREUMBAOW-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@H]2C1 ZINC001048960630 757521652 /nfs/dbraw/zinc/52/16/52/757521652.db2.gz GQPFKUREUMBAOW-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@H]2C1 ZINC001048960630 757521657 /nfs/dbraw/zinc/52/16/57/757521657.db2.gz GQPFKUREUMBAOW-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@H]2C1 ZINC001048960630 757521664 /nfs/dbraw/zinc/52/16/64/757521664.db2.gz GQPFKUREUMBAOW-CEXWTWQISA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001022220778 758441578 /nfs/dbraw/zinc/44/15/78/758441578.db2.gz OWWDSKBSEZIIQF-ZNMIVQPWSA-N 2 2 343.431 0.781 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001022220778 758441583 /nfs/dbraw/zinc/44/15/83/758441583.db2.gz OWWDSKBSEZIIQF-ZNMIVQPWSA-N 2 2 343.431 0.781 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC001022221119 758442896 /nfs/dbraw/zinc/44/28/96/758442896.db2.gz YKKKGMKVCLSZJY-ZENOOKHLSA-N 2 2 349.866 0.908 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC001022221119 758442899 /nfs/dbraw/zinc/44/28/99/758442899.db2.gz YKKKGMKVCLSZJY-ZENOOKHLSA-N 2 2 349.866 0.908 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996686445 758500331 /nfs/dbraw/zinc/50/03/31/758500331.db2.gz UAVHBRIIUJLCDV-HNNXBMFYSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnsn2)CC1 ZINC000996686445 758500337 /nfs/dbraw/zinc/50/03/37/758500337.db2.gz UAVHBRIIUJLCDV-HNNXBMFYSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cnon1)CC2 ZINC001050551249 760477614 /nfs/dbraw/zinc/47/76/14/760477614.db2.gz TUMPOFLPUIMDMK-INIZCTEOSA-N 2 2 343.431 0.592 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1cnon1)CC2 ZINC001050551249 760477618 /nfs/dbraw/zinc/47/76/18/760477618.db2.gz TUMPOFLPUIMDMK-INIZCTEOSA-N 2 2 343.431 0.592 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC001014780657 763142075 /nfs/dbraw/zinc/14/20/75/763142075.db2.gz UOTWUXWSJSCITP-ROUUACIJSA-N 2 2 343.475 0.788 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC001014780657 763142079 /nfs/dbraw/zinc/14/20/79/763142079.db2.gz UOTWUXWSJSCITP-ROUUACIJSA-N 2 2 343.475 0.788 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001014780657 763142081 /nfs/dbraw/zinc/14/20/81/763142081.db2.gz UOTWUXWSJSCITP-ROUUACIJSA-N 2 2 343.475 0.788 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2nc(C)cc2C)C1 ZINC001014780657 763142087 /nfs/dbraw/zinc/14/20/87/763142087.db2.gz UOTWUXWSJSCITP-ROUUACIJSA-N 2 2 343.475 0.788 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106923039 763355470 /nfs/dbraw/zinc/35/54/70/763355470.db2.gz YVYCUUUZXPUDDH-VHDGCEQUSA-N 2 2 347.463 0.635 20 30 ECEDLP N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001052056858 763728268 /nfs/dbraw/zinc/72/82/68/763728268.db2.gz IBPXCVZNCXMAFJ-QZTJIDSGSA-N 2 2 345.491 0.603 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001052061303 763744415 /nfs/dbraw/zinc/74/44/15/763744415.db2.gz WPJDDWLGYRAKSC-QGZVFWFLSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001052061303 763744419 /nfs/dbraw/zinc/74/44/19/763744419.db2.gz WPJDDWLGYRAKSC-QGZVFWFLSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107937 763889294 /nfs/dbraw/zinc/88/92/94/763889294.db2.gz IAOFESISDZHWLF-ROUUACIJSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107937 763889305 /nfs/dbraw/zinc/88/93/05/763889305.db2.gz IAOFESISDZHWLF-ROUUACIJSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001047439321 764349077 /nfs/dbraw/zinc/34/90/77/764349077.db2.gz CRHYYVPLBUJPNZ-IRXDYDNUSA-N 2 2 326.400 0.783 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001047439321 764349098 /nfs/dbraw/zinc/34/90/98/764349098.db2.gz CRHYYVPLBUJPNZ-IRXDYDNUSA-N 2 2 326.400 0.783 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001017659209 768259403 /nfs/dbraw/zinc/25/94/03/768259403.db2.gz QHVCUONHUJMTTE-YYIAUSFCSA-N 2 2 348.491 0.789 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001017659209 768259407 /nfs/dbraw/zinc/25/94/07/768259407.db2.gz QHVCUONHUJMTTE-YYIAUSFCSA-N 2 2 348.491 0.789 20 30 ECEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001046065541 766847771 /nfs/dbraw/zinc/84/77/71/766847771.db2.gz APGRHVDYVHMWQB-SJORKVTESA-N 2 2 329.448 0.686 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)C1 ZINC001046065541 766847778 /nfs/dbraw/zinc/84/77/78/766847778.db2.gz APGRHVDYVHMWQB-SJORKVTESA-N 2 2 329.448 0.686 20 30 ECEDLP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053904397 767312722 /nfs/dbraw/zinc/31/27/22/767312722.db2.gz NBDCWHPXBRKTBU-CVEARBPZSA-N 2 2 337.464 0.631 20 30 ECEDLP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053904397 767312728 /nfs/dbraw/zinc/31/27/28/767312728.db2.gz NBDCWHPXBRKTBU-CVEARBPZSA-N 2 2 337.464 0.631 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2COC3(C[NH+](CC(=C)C)C3)C2)CC1 ZINC001054015285 767604022 /nfs/dbraw/zinc/60/40/22/767604022.db2.gz FTKHKZNEZIRUQI-KRWDZBQOSA-N 2 2 331.460 0.867 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001106678242 768589481 /nfs/dbraw/zinc/58/94/81/768589481.db2.gz FDEIFJQRJDCOCC-QBPKDAKJSA-N 2 2 344.459 0.858 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001168499567 768822983 /nfs/dbraw/zinc/82/29/83/768822983.db2.gz HQYVIYSBTBQXTK-OAHLLOKOSA-N 2 2 345.447 0.546 20 30 ECEDLP C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001055596224 769215445 /nfs/dbraw/zinc/21/54/45/769215445.db2.gz YHUCPFVYNNNRJS-UHFFFAOYSA-N 2 2 347.463 0.792 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001031595257 771366361 /nfs/dbraw/zinc/36/63/61/771366361.db2.gz SKDWITRWUDONED-QGZVFWFLSA-N 2 2 328.416 0.437 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001031595257 771366365 /nfs/dbraw/zinc/36/63/65/771366365.db2.gz SKDWITRWUDONED-QGZVFWFLSA-N 2 2 328.416 0.437 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)c3nc(C)no3)C2)CC1 ZINC001019812500 771827151 /nfs/dbraw/zinc/82/71/51/771827151.db2.gz RMTJHCPBJSYXNS-CJNGLKHVSA-N 2 2 345.447 0.975 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001044971831 774785944 /nfs/dbraw/zinc/78/59/44/774785944.db2.gz ATEYAEBSUSAJRC-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001044971831 774785947 /nfs/dbraw/zinc/78/59/47/774785947.db2.gz ATEYAEBSUSAJRC-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001045218200 775163748 /nfs/dbraw/zinc/16/37/48/775163748.db2.gz KRSSNISUXPTGMV-LSDHHAIUSA-N 2 2 331.420 0.320 20 30 ECEDLP C#CCC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263447 780936805 /nfs/dbraw/zinc/93/68/05/780936805.db2.gz UVRWHXLLIQTAAA-DLBZAZTESA-N 2 2 342.443 0.915 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001070992353 784344955 /nfs/dbraw/zinc/34/49/55/784344955.db2.gz DVOBWPVQDKKIQO-HOTGVXAUSA-N 2 2 336.480 0.553 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001070992353 784344963 /nfs/dbraw/zinc/34/49/63/784344963.db2.gz DVOBWPVQDKKIQO-HOTGVXAUSA-N 2 2 336.480 0.553 20 30 ECEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001070992353 784344972 /nfs/dbraw/zinc/34/49/72/784344972.db2.gz DVOBWPVQDKKIQO-HOTGVXAUSA-N 2 2 336.480 0.553 20 30 ECEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001070992353 784344978 /nfs/dbraw/zinc/34/49/78/784344978.db2.gz DVOBWPVQDKKIQO-HOTGVXAUSA-N 2 2 336.480 0.553 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071226167 784784971 /nfs/dbraw/zinc/78/49/71/784784971.db2.gz VMOAICNNPDFIGP-CRAIPNDOSA-N 2 2 330.432 0.678 20 30 ECEDLP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071226167 784784979 /nfs/dbraw/zinc/78/49/79/784784979.db2.gz VMOAICNNPDFIGP-CRAIPNDOSA-N 2 2 330.432 0.678 20 30 ECEDLP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)O2 ZINC001071234149 784799539 /nfs/dbraw/zinc/79/95/39/784799539.db2.gz UMQMDXQCCIRHJE-KDOFPFPSSA-N 2 2 330.432 0.976 20 30 ECEDLP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)O2 ZINC001071234149 784799543 /nfs/dbraw/zinc/79/95/43/784799543.db2.gz UMQMDXQCCIRHJE-KDOFPFPSSA-N 2 2 330.432 0.976 20 30 ECEDLP C#CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C(=O)C1 ZINC001071258971 784865573 /nfs/dbraw/zinc/86/55/73/784865573.db2.gz VKRAYVAICZRYEQ-IRXDYDNUSA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258971 784865582 /nfs/dbraw/zinc/86/55/82/784865582.db2.gz VKRAYVAICZRYEQ-IRXDYDNUSA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258971 784865585 /nfs/dbraw/zinc/86/55/85/784865585.db2.gz VKRAYVAICZRYEQ-IRXDYDNUSA-N 2 2 346.475 0.239 20 30 ECEDLP C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258971 784865599 /nfs/dbraw/zinc/86/55/99/784865599.db2.gz VKRAYVAICZRYEQ-IRXDYDNUSA-N 2 2 346.475 0.239 20 30 ECEDLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001074581713 787321373 /nfs/dbraw/zinc/32/13/73/787321373.db2.gz KRZXNZBJBCSXSQ-JCGIZDLHSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@H]1[C@@H]([NH2+]Cc2ccccc2C#N)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001074581713 787321384 /nfs/dbraw/zinc/32/13/84/787321384.db2.gz KRZXNZBJBCSXSQ-JCGIZDLHSA-N 2 2 342.443 0.968 20 30 ECEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)c2C1 ZINC001069883233 790149406 /nfs/dbraw/zinc/14/94/06/790149406.db2.gz XECQVSOBFGGCNU-KRWDZBQOSA-N 2 2 347.463 0.612 20 30 ECEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)c2C1 ZINC001069883233 790149408 /nfs/dbraw/zinc/14/94/08/790149408.db2.gz XECQVSOBFGGCNU-KRWDZBQOSA-N 2 2 347.463 0.612 20 30 ECEDLP C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3C[NH+](CC)CCO3)c2C1 ZINC001069883233 790149412 /nfs/dbraw/zinc/14/94/12/790149412.db2.gz XECQVSOBFGGCNU-KRWDZBQOSA-N 2 2 347.463 0.612 20 30 ECEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3C[NH+](CC)CCO3)c2C1 ZINC001069883233 790149416 /nfs/dbraw/zinc/14/94/16/790149416.db2.gz XECQVSOBFGGCNU-KRWDZBQOSA-N 2 2 347.463 0.612 20 30 ECEDLP C=CCN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1=O ZINC001266280623 835608785 /nfs/dbraw/zinc/60/87/85/835608785.db2.gz MEKJDARGKLDNQN-HOTGVXAUSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1=O ZINC001266280623 835608789 /nfs/dbraw/zinc/60/87/89/835608789.db2.gz MEKJDARGKLDNQN-HOTGVXAUSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1=O ZINC001266280623 835608791 /nfs/dbraw/zinc/60/87/91/835608791.db2.gz MEKJDARGKLDNQN-HOTGVXAUSA-N 2 2 336.480 0.696 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1=O ZINC001266280623 835608794 /nfs/dbraw/zinc/60/87/94/835608794.db2.gz MEKJDARGKLDNQN-HOTGVXAUSA-N 2 2 336.480 0.696 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266349859 835745066 /nfs/dbraw/zinc/74/50/66/835745066.db2.gz AVNYUWPXCPNMAY-UHFFFAOYSA-N 2 2 336.480 0.555 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266349859 835745074 /nfs/dbraw/zinc/74/50/74/835745074.db2.gz AVNYUWPXCPNMAY-UHFFFAOYSA-N 2 2 336.480 0.555 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](CCNC(=O)Cn2cc[nH+]c2C)C2CC2)C1=O ZINC001266619597 836056058 /nfs/dbraw/zinc/05/60/58/836056058.db2.gz UPZUFUSWODOSOU-INIZCTEOSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](CCNC(=O)Cn2cc[nH+]c2C)C2CC2)C1=O ZINC001266619597 836056066 /nfs/dbraw/zinc/05/60/66/836056066.db2.gz UPZUFUSWODOSOU-INIZCTEOSA-N 2 2 345.447 0.559 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001266641384 836077226 /nfs/dbraw/zinc/07/72/26/836077226.db2.gz BBAZOSLRIWQKRP-RBSFLKMASA-N 2 2 331.420 0.038 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1=O ZINC001266748676 836237899 /nfs/dbraw/zinc/23/78/99/836237899.db2.gz KBRYLMHKGWWPBU-LSDHHAIUSA-N 2 2 345.447 0.280 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001266897727 836449486 /nfs/dbraw/zinc/44/94/86/836449486.db2.gz PQRIBNNMFSKUJG-CABCVRRESA-N 2 2 333.436 0.402 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001266897727 836449489 /nfs/dbraw/zinc/44/94/89/836449489.db2.gz PQRIBNNMFSKUJG-CABCVRRESA-N 2 2 333.436 0.402 20 30 ECEDLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267094552 836752770 /nfs/dbraw/zinc/75/27/70/836752770.db2.gz URGIURIRCJCHQK-UONOGXRCSA-N 2 2 346.435 0.009 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001267268939 837107503 /nfs/dbraw/zinc/10/75/03/837107503.db2.gz IIKRHIXOCCDWGR-HOTGVXAUSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001267268939 837107509 /nfs/dbraw/zinc/10/75/09/837107509.db2.gz IIKRHIXOCCDWGR-HOTGVXAUSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001267268939 837107515 /nfs/dbraw/zinc/10/75/15/837107515.db2.gz IIKRHIXOCCDWGR-HOTGVXAUSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001267268939 837107524 /nfs/dbraw/zinc/10/75/24/837107524.db2.gz IIKRHIXOCCDWGR-HOTGVXAUSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267628999 838083552 /nfs/dbraw/zinc/08/35/52/838083552.db2.gz IFFAXHFAZDYTMM-JYJNAYRXSA-N 2 2 336.480 0.742 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267628999 838083561 /nfs/dbraw/zinc/08/35/61/838083561.db2.gz IFFAXHFAZDYTMM-JYJNAYRXSA-N 2 2 336.480 0.742 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267628999 838083573 /nfs/dbraw/zinc/08/35/73/838083573.db2.gz IFFAXHFAZDYTMM-JYJNAYRXSA-N 2 2 336.480 0.742 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267628999 838083585 /nfs/dbraw/zinc/08/35/85/838083585.db2.gz IFFAXHFAZDYTMM-JYJNAYRXSA-N 2 2 336.480 0.742 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001267686463 838249467 /nfs/dbraw/zinc/24/94/67/838249467.db2.gz PJFHSSLZQRVJBM-UHFFFAOYSA-N 2 2 347.463 0.664 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267768676 838508699 /nfs/dbraw/zinc/50/86/99/838508699.db2.gz QNDKZWUTXXYYPU-JKSUJKDBSA-N 2 2 348.491 0.531 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267768676 838508704 /nfs/dbraw/zinc/50/87/04/838508704.db2.gz QNDKZWUTXXYYPU-JKSUJKDBSA-N 2 2 348.491 0.531 20 30 ECEDLP COCC#CC[NH+]1CCC(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001267947724 838837312 /nfs/dbraw/zinc/83/73/12/838837312.db2.gz BYRZGTCYJNCBDM-UHFFFAOYSA-N 2 2 332.448 0.831 20 30 ECEDLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CC(=O)NCC#N ZINC001267991734 838938018 /nfs/dbraw/zinc/93/80/18/838938018.db2.gz QQKNKMPYGCCKLC-NSHDSACASA-N 2 2 328.376 0.158 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001268041324 839167343 /nfs/dbraw/zinc/16/73/43/839167343.db2.gz SGGRJMOQOFTXAV-AWEZNQCLSA-N 2 2 347.463 0.672 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nccc(C)n1 ZINC001268067997 839258719 /nfs/dbraw/zinc/25/87/19/839258719.db2.gz IBDUYOHOBZVUTA-HOTGVXAUSA-N 2 2 329.448 0.819 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nccc(C)n1 ZINC001268067997 839258732 /nfs/dbraw/zinc/25/87/32/839258732.db2.gz IBDUYOHOBZVUTA-HOTGVXAUSA-N 2 2 329.448 0.819 20 30 ECEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccccc1 ZINC000264078083 285284339 /nfs/dbraw/zinc/28/43/39/285284339.db2.gz GJPGRYZRPTXDPY-AWEZNQCLSA-N 2 2 338.477 0.849 20 30 ECEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccccc1 ZINC000264078083 285284341 /nfs/dbraw/zinc/28/43/41/285284341.db2.gz GJPGRYZRPTXDPY-AWEZNQCLSA-N 2 2 338.477 0.849 20 30 ECEDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528350170 267279221 /nfs/dbraw/zinc/27/92/21/267279221.db2.gz LFWLFLHMJMEQJX-INIZCTEOSA-N 2 2 346.431 0.004 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000340230866 437612528 /nfs/dbraw/zinc/61/25/28/437612528.db2.gz KMWCGIQETBQSHG-UHFFFAOYSA-N 2 2 345.447 0.530 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCN(c3nccs3)CC2)CC1 ZINC000081668340 436354027 /nfs/dbraw/zinc/35/40/27/436354027.db2.gz KUWAUDAFJRJSKN-UHFFFAOYSA-N 2 2 347.488 0.433 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCN(c3nccs3)CC2)CC1 ZINC000081668340 436354029 /nfs/dbraw/zinc/35/40/29/436354029.db2.gz KUWAUDAFJRJSKN-UHFFFAOYSA-N 2 2 347.488 0.433 20 30 ECEDLP C[NH+]1CCN(C(=O)C[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC000120925274 436703257 /nfs/dbraw/zinc/70/32/57/436703257.db2.gz WRPRAMJWUMHFRD-UHFFFAOYSA-N 2 2 327.432 0.454 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119682186 436669118 /nfs/dbraw/zinc/66/91/18/436669118.db2.gz MBSLUIJASHTZJQ-XNHLSEOASA-N 2 2 347.507 0.990 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119682186 436669123 /nfs/dbraw/zinc/66/91/23/436669123.db2.gz MBSLUIJASHTZJQ-XNHLSEOASA-N 2 2 347.507 0.990 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119682186 436669125 /nfs/dbraw/zinc/66/91/25/436669125.db2.gz MBSLUIJASHTZJQ-XNHLSEOASA-N 2 2 347.507 0.990 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119682186 436669126 /nfs/dbraw/zinc/66/91/26/436669126.db2.gz MBSLUIJASHTZJQ-XNHLSEOASA-N 2 2 347.507 0.990 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C3CCOCC3)CC2)CC1 ZINC000153708120 436762685 /nfs/dbraw/zinc/76/26/85/436762685.db2.gz FDPRUGOFXVAHEX-UHFFFAOYSA-N 2 2 333.476 0.902 20 30 ECEDLP CCN(CCC#N)S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000336913036 437309812 /nfs/dbraw/zinc/30/98/12/437309812.db2.gz KNRBXAZBTGHYJP-UHFFFAOYSA-N 2 2 345.513 0.425 20 30 ECEDLP CCN(CCC#N)S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000336913036 437309815 /nfs/dbraw/zinc/30/98/15/437309815.db2.gz KNRBXAZBTGHYJP-UHFFFAOYSA-N 2 2 345.513 0.425 20 30 ECEDLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC[NH+]3CCOCC3(C)C)C[C@@H]21 ZINC000328878188 437277468 /nfs/dbraw/zinc/27/74/68/437277468.db2.gz KWYDLAVZTNFMIA-LSDHHAIUSA-N 2 2 340.468 0.416 20 30 ECEDLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC[NH+]3CCOCC3(C)C)C[C@@H]21 ZINC000328878188 437277471 /nfs/dbraw/zinc/27/74/71/437277471.db2.gz KWYDLAVZTNFMIA-LSDHHAIUSA-N 2 2 340.468 0.416 20 30 ECEDLP C[NH+]1CCO[C@@H]2CCN(C(=O)NCC[N@@H+]3CCOCC3(C)C)C[C@@H]21 ZINC000328878188 437277474 /nfs/dbraw/zinc/27/74/74/437277474.db2.gz KWYDLAVZTNFMIA-LSDHHAIUSA-N 2 2 340.468 0.416 20 30 ECEDLP C[NH+]1CCO[C@@H]2CCN(C(=O)NCC[N@H+]3CCOCC3(C)C)C[C@@H]21 ZINC000328878188 437277477 /nfs/dbraw/zinc/27/74/77/437277477.db2.gz KWYDLAVZTNFMIA-LSDHHAIUSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000329285956 437346851 /nfs/dbraw/zinc/34/68/51/437346851.db2.gz PBOXHSRNPFYTEN-ILXRZTDVSA-N 2 2 326.441 0.026 20 30 ECEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000329285956 437346855 /nfs/dbraw/zinc/34/68/55/437346855.db2.gz PBOXHSRNPFYTEN-ILXRZTDVSA-N 2 2 326.441 0.026 20 30 ECEDLP C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000330278806 437477521 /nfs/dbraw/zinc/47/75/21/437477521.db2.gz QCJMXCPNETZAJB-KFWWJZLASA-N 2 2 333.436 0.764 20 30 ECEDLP Cn1cc(C[NH+]2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)cn1 ZINC000330268022 437477827 /nfs/dbraw/zinc/47/78/27/437477827.db2.gz ILDGKAQBHHBCQF-HNNXBMFYSA-N 2 2 343.435 0.663 20 30 ECEDLP C[NH+](C)CCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330885973 437641350 /nfs/dbraw/zinc/64/13/50/437641350.db2.gz MBBVQEJQKILTLU-UHFFFAOYSA-N 2 2 334.424 0.357 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)CC1 ZINC000363894428 437808714 /nfs/dbraw/zinc/80/87/14/437808714.db2.gz ZHGLMCJNERXJEY-UHFFFAOYSA-N 2 2 343.475 0.892 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)CC1 ZINC000363894428 437808719 /nfs/dbraw/zinc/80/87/19/437808719.db2.gz ZHGLMCJNERXJEY-UHFFFAOYSA-N 2 2 343.475 0.892 20 30 ECEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N(CCC#N)CCC#N ZINC000371295843 437915431 /nfs/dbraw/zinc/91/54/31/437915431.db2.gz VIFKBWITQPTEFB-IXDOHACOSA-N 2 2 347.463 0.826 20 30 ECEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N(CCC#N)CCC#N ZINC000371295843 437915437 /nfs/dbraw/zinc/91/54/37/437915437.db2.gz VIFKBWITQPTEFB-IXDOHACOSA-N 2 2 347.463 0.826 20 30 ECEDLP C[NH+]1CCN(C(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)CC1 ZINC000595772200 438859229 /nfs/dbraw/zinc/85/92/29/438859229.db2.gz GUGKRDLKSBEXCP-UHFFFAOYSA-N 2 2 342.443 0.928 20 30 ECEDLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000595906589 438884778 /nfs/dbraw/zinc/88/47/78/438884778.db2.gz LNLMKGOVJKCDMM-MRXNPFEDSA-N 2 2 335.452 0.685 20 30 ECEDLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCO1 ZINC000595906589 438884785 /nfs/dbraw/zinc/88/47/85/438884785.db2.gz LNLMKGOVJKCDMM-MRXNPFEDSA-N 2 2 335.452 0.685 20 30 ECEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000527049803 439250329 /nfs/dbraw/zinc/25/03/29/439250329.db2.gz QHPOCDNGDJAJLV-IXDOHACOSA-N 2 2 347.507 0.895 20 30 ECEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000527049803 439250332 /nfs/dbraw/zinc/25/03/32/439250332.db2.gz QHPOCDNGDJAJLV-IXDOHACOSA-N 2 2 347.507 0.895 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C)(c3nc(C)no3)CC2)CC1 ZINC000490951481 439318746 /nfs/dbraw/zinc/31/87/46/439318746.db2.gz YOEVFIAKRIULQG-UHFFFAOYSA-N 2 2 345.447 0.509 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC000491127901 439337611 /nfs/dbraw/zinc/33/76/11/439337611.db2.gz YDAFURPDONTKQD-HNNXBMFYSA-N 2 2 347.381 0.543 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC000491127901 439337615 /nfs/dbraw/zinc/33/76/15/439337615.db2.gz YDAFURPDONTKQD-HNNXBMFYSA-N 2 2 347.381 0.543 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Nc3ccccc3)C2)CC1 ZINC000490866009 439304883 /nfs/dbraw/zinc/30/48/83/439304883.db2.gz KXWNORPZZSJRDN-SFHVURJKSA-N 2 2 326.444 0.950 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Nc3ccccc3)C2)CC1 ZINC000490866009 439304888 /nfs/dbraw/zinc/30/48/88/439304888.db2.gz KXWNORPZZSJRDN-SFHVURJKSA-N 2 2 326.444 0.950 20 30 ECEDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1=O ZINC000598724115 439307157 /nfs/dbraw/zinc/30/71/57/439307157.db2.gz MOGOWKLNJWBQEF-ZIAGYGMSSA-N 2 2 333.436 0.801 20 30 ECEDLP N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599299059 439423558 /nfs/dbraw/zinc/42/35/58/439423558.db2.gz AGKPNJCZJIZTGR-SJORKVTESA-N 2 2 337.464 0.712 20 30 ECEDLP N#CC1(C[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000599299059 439423560 /nfs/dbraw/zinc/42/35/60/439423560.db2.gz AGKPNJCZJIZTGR-SJORKVTESA-N 2 2 337.464 0.712 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000491714125 439432930 /nfs/dbraw/zinc/43/29/30/439432930.db2.gz FMNYKUHDBJLNJJ-FUHWJXTLSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000491714125 439432937 /nfs/dbraw/zinc/43/29/37/439432937.db2.gz FMNYKUHDBJLNJJ-FUHWJXTLSA-N 2 2 331.460 0.797 20 30 ECEDLP C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000583241830 439438727 /nfs/dbraw/zinc/43/87/27/439438727.db2.gz JLDXVMAMVXSNOQ-UHFFFAOYSA-N 2 2 342.403 0.967 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000491772335 439445889 /nfs/dbraw/zinc/44/58/89/439445889.db2.gz QEKQBFJDWMLWDJ-INIZCTEOSA-N 2 2 335.835 0.740 20 30 ECEDLP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000594440558 439559324 /nfs/dbraw/zinc/55/93/24/439559324.db2.gz FINQEWHBSBNKKI-HNNXBMFYSA-N 2 2 331.420 0.946 20 30 ECEDLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441862 439563160 /nfs/dbraw/zinc/56/31/60/439563160.db2.gz XLNFBLYAGPUPMY-UKRRQHHQSA-N 2 2 335.452 0.209 20 30 ECEDLP C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672640773 548365391 /nfs/dbraw/zinc/36/53/91/548365391.db2.gz ZOTCUDPORXKOIF-HNNXBMFYSA-N 2 2 334.464 0.472 20 30 ECEDLP C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672640773 548365395 /nfs/dbraw/zinc/36/53/95/548365395.db2.gz ZOTCUDPORXKOIF-HNNXBMFYSA-N 2 2 334.464 0.472 20 30 ECEDLP C=C(C)[C@H](CO)[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000677048306 548895165 /nfs/dbraw/zinc/89/51/65/548895165.db2.gz UUKJTLHZMXPMOV-HNNXBMFYSA-N 2 2 333.436 0.372 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCc3ccc(O)cc3CC2)CC1 ZINC000748812092 579329012 /nfs/dbraw/zinc/32/90/12/579329012.db2.gz DVLHVLPHYXXZJX-UHFFFAOYSA-N 2 2 327.428 0.570 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCc3ccc(O)cc3CC2)CC1 ZINC000748812092 579329013 /nfs/dbraw/zinc/32/90/13/579329013.db2.gz DVLHVLPHYXXZJX-UHFFFAOYSA-N 2 2 327.428 0.570 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(CCC(=O)OCC)CC2)CC1 ZINC000749549182 579339376 /nfs/dbraw/zinc/33/93/76/579339376.db2.gz BZQMZUYQNKWDMP-UHFFFAOYSA-N 2 2 349.475 0.819 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000730282571 578304626 /nfs/dbraw/zinc/30/46/26/578304626.db2.gz HVRHJXYWJDICFG-KRWDZBQOSA-N 2 2 341.459 0.547 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000730282571 578304627 /nfs/dbraw/zinc/30/46/27/578304627.db2.gz HVRHJXYWJDICFG-KRWDZBQOSA-N 2 2 341.459 0.547 20 30 ECEDLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000780959842 578703728 /nfs/dbraw/zinc/70/37/28/578703728.db2.gz PEPURVBTSDSUHD-KRWDZBQOSA-N 2 2 330.432 0.734 20 30 ECEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCO[C@](C)(C#N)C3)CC2)CC1 ZINC000892522282 586271376 /nfs/dbraw/zinc/27/13/76/586271376.db2.gz WCOQDQBTAAXHAO-GOSISDBHSA-N 2 2 349.479 0.869 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCO[C@](C)(C#N)C3)C2)CC1 ZINC000893022430 586306259 /nfs/dbraw/zinc/30/62/59/586306259.db2.gz LNGJRNLLPBRBAT-WMLDXEAASA-N 2 2 335.452 0.479 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@](C)(C#N)C3)C2)CC1 ZINC000893022430 586306262 /nfs/dbraw/zinc/30/62/62/586306262.db2.gz LNGJRNLLPBRBAT-WMLDXEAASA-N 2 2 335.452 0.479 20 30 ECEDLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000900609085 586647147 /nfs/dbraw/zinc/64/71/47/586647147.db2.gz VCMQZJZCPKMRID-AWEZNQCLSA-N 2 2 336.436 0.366 20 30 ECEDLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000900609085 586647149 /nfs/dbraw/zinc/64/71/49/586647149.db2.gz VCMQZJZCPKMRID-AWEZNQCLSA-N 2 2 336.436 0.366 20 30 ECEDLP C[C@H](C#N)OCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000801922114 587005789 /nfs/dbraw/zinc/00/57/89/587005789.db2.gz FRZXEPBPJISTKV-OAHLLOKOSA-N 2 2 346.435 0.364 20 30 ECEDLP C[C@@H](C#N)OCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000801922112 587006138 /nfs/dbraw/zinc/00/61/38/587006138.db2.gz FRZXEPBPJISTKV-HNNXBMFYSA-N 2 2 346.435 0.364 20 30 ECEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865040548 590121490 /nfs/dbraw/zinc/12/14/90/590121490.db2.gz SDCVDERYZLPZDP-INIZCTEOSA-N 2 2 327.388 0.905 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000874383133 590236939 /nfs/dbraw/zinc/23/69/39/590236939.db2.gz OXMKXVFARZURCQ-KRWDZBQOSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000874383133 590236941 /nfs/dbraw/zinc/23/69/41/590236941.db2.gz OXMKXVFARZURCQ-KRWDZBQOSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000874383133 590236943 /nfs/dbraw/zinc/23/69/43/590236943.db2.gz OXMKXVFARZURCQ-KRWDZBQOSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000874383133 590236945 /nfs/dbraw/zinc/23/69/45/590236945.db2.gz OXMKXVFARZURCQ-KRWDZBQOSA-N 2 2 346.475 0.287 20 30 ECEDLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876746254 590407822 /nfs/dbraw/zinc/40/78/22/590407822.db2.gz JFTNSWUSSKKTSC-GUYCJALGSA-N 2 2 328.416 0.582 20 30 ECEDLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876746254 590407824 /nfs/dbraw/zinc/40/78/24/590407824.db2.gz JFTNSWUSSKKTSC-GUYCJALGSA-N 2 2 328.416 0.582 20 30 ECEDLP C[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)N1CC[NH+](C)CC1 ZINC000876782696 590414393 /nfs/dbraw/zinc/41/43/93/590414393.db2.gz SXVAWHORAKFBOS-KDOFPFPSSA-N 2 2 341.459 0.497 20 30 ECEDLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876877766 590421495 /nfs/dbraw/zinc/42/14/95/590421495.db2.gz HMHBTDXTQROVPI-KRWDZBQOSA-N 2 2 328.416 0.536 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000884183796 590766263 /nfs/dbraw/zinc/76/62/63/590766263.db2.gz XMRMCGMZZRCPEN-IHRRRGAJSA-N 2 2 327.425 0.049 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC1 ZINC000885986040 590785010 /nfs/dbraw/zinc/78/50/10/590785010.db2.gz XBBXRFWYJYCUMX-MRXNPFEDSA-N 2 2 334.464 0.671 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000890367479 591153886 /nfs/dbraw/zinc/15/38/86/591153886.db2.gz MSZAHRJKFHUECW-QGZVFWFLSA-N 2 2 335.496 0.363 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000890367479 591153889 /nfs/dbraw/zinc/15/38/89/591153889.db2.gz MSZAHRJKFHUECW-QGZVFWFLSA-N 2 2 335.496 0.363 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000890367479 591153891 /nfs/dbraw/zinc/15/38/91/591153891.db2.gz MSZAHRJKFHUECW-QGZVFWFLSA-N 2 2 335.496 0.363 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000890367479 591153895 /nfs/dbraw/zinc/15/38/95/591153895.db2.gz MSZAHRJKFHUECW-QGZVFWFLSA-N 2 2 335.496 0.363 20 30 ECEDLP C#CCC[N@@H+]1CCOC2(CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000949508767 608720764 /nfs/dbraw/zinc/72/07/64/608720764.db2.gz CCRXCHKTGRTFSI-UHFFFAOYSA-N 2 2 330.432 0.679 20 30 ECEDLP C#CCC[N@H+]1CCOC2(CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000949508767 608720766 /nfs/dbraw/zinc/72/07/66/608720766.db2.gz CCRXCHKTGRTFSI-UHFFFAOYSA-N 2 2 330.432 0.679 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nnc(C)o3)C2)CC1 ZINC000939812479 610137547 /nfs/dbraw/zinc/13/75/47/610137547.db2.gz WPSXFDVYDNEGPU-XJKSGUPXSA-N 2 2 345.447 0.660 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)C1 ZINC000941606832 610405320 /nfs/dbraw/zinc/40/53/20/610405320.db2.gz COCBADLLFVEPIC-UHFFFAOYSA-N 2 2 340.471 0.823 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000941636832 610422882 /nfs/dbraw/zinc/42/28/82/610422882.db2.gz VVBXIGACHHNHSH-IAGOWNOFSA-N 2 2 332.492 0.568 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261988893 735286046 /nfs/dbraw/zinc/28/60/46/735286046.db2.gz QVZHXVAJIKCFLR-UKRRQHHQSA-N 3 2 325.526 0.683 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261988893 735286050 /nfs/dbraw/zinc/28/60/50/735286050.db2.gz QVZHXVAJIKCFLR-UKRRQHHQSA-N 3 2 325.526 0.683 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nccnc2C)C1 ZINC000969865153 732461810 /nfs/dbraw/zinc/46/18/10/732461810.db2.gz KHCMUZQVFVRGIJ-KDOFPFPSSA-N 2 2 341.459 0.819 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2nccnc2C)C1 ZINC000969865153 732461814 /nfs/dbraw/zinc/46/18/14/732461814.db2.gz KHCMUZQVFVRGIJ-KDOFPFPSSA-N 2 2 341.459 0.819 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000969866670 732465118 /nfs/dbraw/zinc/46/51/18/732465118.db2.gz YWXPEANUDGYQIH-WBVHZDCISA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(=O)N2CCCC2)C1 ZINC000969866670 732465122 /nfs/dbraw/zinc/46/51/22/732465122.db2.gz YWXPEANUDGYQIH-WBVHZDCISA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001041838668 782315971 /nfs/dbraw/zinc/31/59/71/782315971.db2.gz CVICXNAYAGYTEN-IEBWSBKVSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001041838668 782315979 /nfs/dbraw/zinc/31/59/79/782315979.db2.gz CVICXNAYAGYTEN-IEBWSBKVSA-N 2 2 331.460 0.655 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001025121541 738687579 /nfs/dbraw/zinc/68/75/79/738687579.db2.gz CQCAXEVTFHJZIJ-CABCVRRESA-N 2 2 345.447 0.710 20 30 ECEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078183306 782446378 /nfs/dbraw/zinc/44/63/78/782446378.db2.gz LEGRMRNEZQPALA-IAGOWNOFSA-N 2 2 339.399 0.425 20 30 ECEDLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001078183306 782446386 /nfs/dbraw/zinc/44/63/86/782446386.db2.gz LEGRMRNEZQPALA-IAGOWNOFSA-N 2 2 339.399 0.425 20 30 ECEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001100633651 736782640 /nfs/dbraw/zinc/78/26/40/736782640.db2.gz IBZLDDGENNMLLF-XUJLQICISA-N 2 2 333.436 0.517 20 30 ECEDLP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001100633651 736782641 /nfs/dbraw/zinc/78/26/41/736782641.db2.gz IBZLDDGENNMLLF-XUJLQICISA-N 2 2 333.436 0.517 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC001023423968 736807059 /nfs/dbraw/zinc/80/70/59/736807059.db2.gz KVBMSPGUURWJEO-WBVHZDCISA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC001023423968 736807063 /nfs/dbraw/zinc/80/70/63/736807063.db2.gz KVBMSPGUURWJEO-WBVHZDCISA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(=O)NC2CC2)C1 ZINC001023423968 736807067 /nfs/dbraw/zinc/80/70/67/736807067.db2.gz KVBMSPGUURWJEO-WBVHZDCISA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(=O)NC2CC2)C1 ZINC001023423968 736807070 /nfs/dbraw/zinc/80/70/70/736807070.db2.gz KVBMSPGUURWJEO-WBVHZDCISA-N 2 2 346.475 0.191 20 30 ECEDLP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682547 737370905 /nfs/dbraw/zinc/37/09/05/737370905.db2.gz GJDLUNOZIOXINI-AEFFLSMTSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682547 737370911 /nfs/dbraw/zinc/37/09/11/737370911.db2.gz GJDLUNOZIOXINI-AEFFLSMTSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682547 737370917 /nfs/dbraw/zinc/37/09/17/737370917.db2.gz GJDLUNOZIOXINI-AEFFLSMTSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682547 737370922 /nfs/dbraw/zinc/37/09/22/737370922.db2.gz GJDLUNOZIOXINI-AEFFLSMTSA-N 2 2 337.464 0.587 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105105368 741362438 /nfs/dbraw/zinc/36/24/38/741362438.db2.gz RDUMPIYFWXQDLY-BZUAXINKSA-N 2 2 345.447 0.095 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cncn2)CC1(C)C ZINC000974687165 742003242 /nfs/dbraw/zinc/00/32/42/742003242.db2.gz RGGUUKNTDBQYNC-JKSUJKDBSA-N 2 2 344.463 0.202 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cncn2)CC1(C)C ZINC000974687165 742003244 /nfs/dbraw/zinc/00/32/44/742003244.db2.gz RGGUUKNTDBQYNC-JKSUJKDBSA-N 2 2 344.463 0.202 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)CC1(C)C ZINC000974687165 742003249 /nfs/dbraw/zinc/00/32/49/742003249.db2.gz RGGUUKNTDBQYNC-JKSUJKDBSA-N 2 2 344.463 0.202 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cncn2)CC1(C)C ZINC000974687165 742003254 /nfs/dbraw/zinc/00/32/54/742003254.db2.gz RGGUUKNTDBQYNC-JKSUJKDBSA-N 2 2 344.463 0.202 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001167900999 751913285 /nfs/dbraw/zinc/91/32/85/751913285.db2.gz PBPAXNWHEFNPIR-CQSZACIVSA-N 2 2 345.447 0.275 20 30 ECEDLP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001112536236 745366301 /nfs/dbraw/zinc/36/63/01/745366301.db2.gz YKOKYSQDXRWFJO-YJBOKZPZSA-N 2 2 330.432 0.820 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(CC)o2)C1 ZINC000983903940 745483490 /nfs/dbraw/zinc/48/34/90/745483490.db2.gz ILWWCSYBCDYXIM-KKUMJFAQSA-N 2 2 345.447 0.714 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2nnc(CC)o2)C1 ZINC000983903940 745483494 /nfs/dbraw/zinc/48/34/94/745483494.db2.gz ILWWCSYBCDYXIM-KKUMJFAQSA-N 2 2 345.447 0.714 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001000691605 745704207 /nfs/dbraw/zinc/70/42/07/745704207.db2.gz ABJOFSNNIJDBKD-HOCLYGCPSA-N 2 2 345.447 0.330 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001000792690 745771074 /nfs/dbraw/zinc/77/10/74/745771074.db2.gz BWVWZSBRYJMVHR-CABCVRRESA-N 2 2 345.447 0.628 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3c[nH+]cn3C)C2)nn1 ZINC001105360888 752032997 /nfs/dbraw/zinc/03/29/97/752032997.db2.gz LOQHGYDSCQCBLU-UHFFFAOYSA-N 2 2 329.408 0.303 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3cnsn3)C2)CC1 ZINC001000993009 745958324 /nfs/dbraw/zinc/95/83/24/745958324.db2.gz PGLJASUTOGJTRW-OAHLLOKOSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2cncn2C)CC1 ZINC001001494762 746432498 /nfs/dbraw/zinc/43/24/98/746432498.db2.gz ZTOKVEOWMBMOLH-SFHVURJKSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2cncn2C)CC1 ZINC001001494762 746432502 /nfs/dbraw/zinc/43/25/02/746432502.db2.gz ZTOKVEOWMBMOLH-SFHVURJKSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001098706348 746435127 /nfs/dbraw/zinc/43/51/27/746435127.db2.gz ZIRQRXYHBDUUTC-HNNXBMFYSA-N 2 2 330.436 0.116 20 30 ECEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978638758 746530322 /nfs/dbraw/zinc/53/03/22/746530322.db2.gz MTNLSKVPTKGQOY-AKHDSKFASA-N 2 2 345.487 0.947 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978638758 746530325 /nfs/dbraw/zinc/53/03/25/746530325.db2.gz MTNLSKVPTKGQOY-AKHDSKFASA-N 2 2 345.487 0.947 20 30 ECEDLP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978638758 746530328 /nfs/dbraw/zinc/53/03/28/746530328.db2.gz MTNLSKVPTKGQOY-AKHDSKFASA-N 2 2 345.487 0.947 20 30 ECEDLP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3COCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978638758 746530332 /nfs/dbraw/zinc/53/03/32/746530332.db2.gz MTNLSKVPTKGQOY-AKHDSKFASA-N 2 2 345.487 0.947 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3cnon3)CC2)CC1 ZINC001002145489 747024633 /nfs/dbraw/zinc/02/46/33/747024633.db2.gz QMSCQDPUNFEKTA-UHFFFAOYSA-N 2 2 345.447 0.743 20 30 ECEDLP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC000979075339 747125622 /nfs/dbraw/zinc/12/56/22/747125622.db2.gz VZSIDUCCPHSGQI-APIJFGDWSA-N 2 2 327.856 0.754 20 30 ECEDLP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC000979075339 747125627 /nfs/dbraw/zinc/12/56/27/747125627.db2.gz VZSIDUCCPHSGQI-APIJFGDWSA-N 2 2 327.856 0.754 20 30 ECEDLP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979075339 747125633 /nfs/dbraw/zinc/12/56/33/747125633.db2.gz VZSIDUCCPHSGQI-APIJFGDWSA-N 2 2 327.856 0.754 20 30 ECEDLP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC000979075339 747125640 /nfs/dbraw/zinc/12/56/40/747125640.db2.gz VZSIDUCCPHSGQI-APIJFGDWSA-N 2 2 327.856 0.754 20 30 ECEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208809 747750261 /nfs/dbraw/zinc/75/02/61/747750261.db2.gz SGFSLQAKEXUEPU-FGTMMUONSA-N 2 2 331.460 0.511 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088208809 747750262 /nfs/dbraw/zinc/75/02/62/747750262.db2.gz SGFSLQAKEXUEPU-FGTMMUONSA-N 2 2 331.460 0.511 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)nn1 ZINC001098733548 749112173 /nfs/dbraw/zinc/11/21/73/749112173.db2.gz LTUMRUPGXCCGCY-INIZCTEOSA-N 2 2 344.463 0.506 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC001098733548 749112179 /nfs/dbraw/zinc/11/21/79/749112179.db2.gz LTUMRUPGXCCGCY-INIZCTEOSA-N 2 2 344.463 0.506 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC000980410239 749514956 /nfs/dbraw/zinc/51/49/56/749514956.db2.gz ZRNYBIPNMUBLHK-HOTGVXAUSA-N 2 2 345.447 0.511 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC000980410239 749514960 /nfs/dbraw/zinc/51/49/60/749514960.db2.gz ZRNYBIPNMUBLHK-HOTGVXAUSA-N 2 2 345.447 0.511 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC000980834085 750238385 /nfs/dbraw/zinc/23/83/85/750238385.db2.gz NNIDSGZNWFFCJN-CVEARBPZSA-N 2 2 334.464 0.402 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1=O ZINC000980834085 750238388 /nfs/dbraw/zinc/23/83/88/750238388.db2.gz NNIDSGZNWFFCJN-CVEARBPZSA-N 2 2 334.464 0.402 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1=O ZINC000980834085 750238393 /nfs/dbraw/zinc/23/83/93/750238393.db2.gz NNIDSGZNWFFCJN-CVEARBPZSA-N 2 2 334.464 0.402 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1=O ZINC000980834085 750238397 /nfs/dbraw/zinc/23/83/97/750238397.db2.gz NNIDSGZNWFFCJN-CVEARBPZSA-N 2 2 334.464 0.402 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCC(C)CC3)C2)nn1 ZINC001105347862 750348966 /nfs/dbraw/zinc/34/89/66/750348966.db2.gz OMVMUAGQNQBEBM-UHFFFAOYSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(C)[nH]3)[C@@H]2C)CC1 ZINC000987567688 750969759 /nfs/dbraw/zinc/96/97/59/750969759.db2.gz GBSPYKLZKVOYGC-XJKSGUPXSA-N 2 2 344.463 0.537 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nc(C)no3)[C@@H]2C)CC1 ZINC000987576152 750992517 /nfs/dbraw/zinc/99/25/17/750992517.db2.gz NKBVTIRUIGRFTJ-XJKSGUPXSA-N 2 2 345.447 0.802 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098680606 753582324 /nfs/dbraw/zinc/58/23/24/753582324.db2.gz IGEROBADPBKJNR-HZPDHXFCSA-N 2 2 330.436 0.115 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC001028600807 753875319 /nfs/dbraw/zinc/87/53/19/753875319.db2.gz DOIFFLCJDIFSJG-CABCVRRESA-N 2 2 347.488 0.882 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2snnc2C)C1 ZINC001028600807 753875325 /nfs/dbraw/zinc/87/53/25/753875325.db2.gz DOIFFLCJDIFSJG-CABCVRRESA-N 2 2 347.488 0.882 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2snnc2C)C1 ZINC001028600807 753875332 /nfs/dbraw/zinc/87/53/32/753875332.db2.gz DOIFFLCJDIFSJG-CABCVRRESA-N 2 2 347.488 0.882 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2snnc2C)C1 ZINC001028600807 753875341 /nfs/dbraw/zinc/87/53/41/753875341.db2.gz DOIFFLCJDIFSJG-CABCVRRESA-N 2 2 347.488 0.882 20 30 ECEDLP COCC#CC[NH2+]CC1(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001167942434 754014797 /nfs/dbraw/zinc/01/47/97/754014797.db2.gz OXQDYKCNIDZUOD-UHFFFAOYSA-N 2 2 332.448 0.879 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3csnn3)C[C@H]2C)CC1 ZINC000989829276 754498330 /nfs/dbraw/zinc/49/83/30/754498330.db2.gz QPPCTWIOXDYLDF-HIFRSBDPSA-N 2 2 347.488 0.962 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028712013 754793453 /nfs/dbraw/zinc/79/34/53/754793453.db2.gz JFJRKWLVVOYOII-ROUUACIJSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028712013 754793458 /nfs/dbraw/zinc/79/34/58/754793458.db2.gz JFJRKWLVVOYOII-ROUUACIJSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001028712013 754793463 /nfs/dbraw/zinc/79/34/63/754793463.db2.gz JFJRKWLVVOYOII-ROUUACIJSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001028712013 754793466 /nfs/dbraw/zinc/79/34/66/754793466.db2.gz JFJRKWLVVOYOII-ROUUACIJSA-N 2 2 333.476 0.949 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH+]cn1C)C[C@H](C)O2 ZINC001098656182 755672632 /nfs/dbraw/zinc/67/26/32/755672632.db2.gz QJLKEJVVHAFVDN-HNNXBMFYSA-N 2 2 330.432 0.678 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428018 756125618 /nfs/dbraw/zinc/12/56/18/756125618.db2.gz OLKDHPQFODTMJE-IRXDYDNUSA-N 2 2 328.416 0.579 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428018 756125621 /nfs/dbraw/zinc/12/56/21/756125621.db2.gz OLKDHPQFODTMJE-IRXDYDNUSA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428018 756125626 /nfs/dbraw/zinc/12/56/26/756125626.db2.gz OLKDHPQFODTMJE-IRXDYDNUSA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428018 756125630 /nfs/dbraw/zinc/12/56/30/756125630.db2.gz OLKDHPQFODTMJE-IRXDYDNUSA-N 2 2 328.416 0.579 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C(C)C)[NH+](C)C)nn2)C1 ZINC001107180128 757298245 /nfs/dbraw/zinc/29/82/45/757298245.db2.gz BRWGWPFUZRYBHA-INIZCTEOSA-N 2 2 334.468 0.913 20 30 ECEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@H]2C1 ZINC001049092678 757943321 /nfs/dbraw/zinc/94/33/21/757943321.db2.gz KKEYNICSGYPONF-CALCHBBNSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)C3([NH+]4CCOCC4)CCCC3)C[C@H]2C1 ZINC001049092678 757943332 /nfs/dbraw/zinc/94/33/32/757943332.db2.gz KKEYNICSGYPONF-CALCHBBNSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001077014402 757943816 /nfs/dbraw/zinc/94/38/16/757943816.db2.gz VAGDJUOIPVYIST-QBPKDAKJSA-N 2 2 342.443 0.339 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC001077014402 757943824 /nfs/dbraw/zinc/94/38/24/757943824.db2.gz VAGDJUOIPVYIST-QBPKDAKJSA-N 2 2 342.443 0.339 20 30 ECEDLP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001077034311 758010624 /nfs/dbraw/zinc/01/06/24/758010624.db2.gz RUQCPDNFYUFQCX-IXDOHACOSA-N 2 2 347.463 0.918 20 30 ECEDLP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001077034311 758010635 /nfs/dbraw/zinc/01/06/35/758010635.db2.gz RUQCPDNFYUFQCX-IXDOHACOSA-N 2 2 347.463 0.918 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001077034311 758010646 /nfs/dbraw/zinc/01/06/46/758010646.db2.gz RUQCPDNFYUFQCX-IXDOHACOSA-N 2 2 347.463 0.918 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001077034311 758010655 /nfs/dbraw/zinc/01/06/55/758010655.db2.gz RUQCPDNFYUFQCX-IXDOHACOSA-N 2 2 347.463 0.918 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001077125467 758291072 /nfs/dbraw/zinc/29/10/72/758291072.db2.gz VQSZOLODKKPYNJ-HOTGVXAUSA-N 2 2 345.447 0.382 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001077125467 758291081 /nfs/dbraw/zinc/29/10/81/758291081.db2.gz VQSZOLODKKPYNJ-HOTGVXAUSA-N 2 2 345.447 0.382 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nonc2C)CC1 ZINC000996684305 758467001 /nfs/dbraw/zinc/46/70/01/758467001.db2.gz HSIPZVRRLXRCKV-INIZCTEOSA-N 2 2 331.420 0.556 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nonc2C)CC1 ZINC000996684305 758467006 /nfs/dbraw/zinc/46/70/06/758467006.db2.gz HSIPZVRRLXRCKV-INIZCTEOSA-N 2 2 331.420 0.556 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127779012 758642727 /nfs/dbraw/zinc/64/27/27/758642727.db2.gz IKKHBSXICCDEQI-ZDUSSCGKSA-N 2 2 333.436 0.158 20 30 ECEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001083630950 759811928 /nfs/dbraw/zinc/81/19/28/759811928.db2.gz WBTIIOXYZQMDKO-CVEARBPZSA-N 2 2 327.388 0.618 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001083630950 759811937 /nfs/dbraw/zinc/81/19/37/759811937.db2.gz WBTIIOXYZQMDKO-CVEARBPZSA-N 2 2 327.388 0.618 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001050237951 760026906 /nfs/dbraw/zinc/02/69/06/760026906.db2.gz BOZPKEMPVCLCBH-HZPDHXFCSA-N 2 2 345.447 0.498 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000995921304 760779713 /nfs/dbraw/zinc/77/97/13/760779713.db2.gz HOEUMADDSDRQNY-HOTGVXAUSA-N 2 2 343.475 0.844 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000995921304 760779715 /nfs/dbraw/zinc/77/97/15/760779715.db2.gz HOEUMADDSDRQNY-HOTGVXAUSA-N 2 2 343.475 0.844 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001014777530 763137157 /nfs/dbraw/zinc/13/71/57/763137157.db2.gz YBEUPZHCJPZHKZ-OALUTQOASA-N 2 2 341.455 0.967 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001014777530 763137163 /nfs/dbraw/zinc/13/71/63/763137163.db2.gz YBEUPZHCJPZHKZ-OALUTQOASA-N 2 2 341.455 0.967 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001014777530 763137173 /nfs/dbraw/zinc/13/71/73/763137173.db2.gz YBEUPZHCJPZHKZ-OALUTQOASA-N 2 2 341.455 0.967 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001014777530 763137181 /nfs/dbraw/zinc/13/71/81/763137181.db2.gz YBEUPZHCJPZHKZ-OALUTQOASA-N 2 2 341.455 0.967 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@]2(C)CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001046905330 763355074 /nfs/dbraw/zinc/35/50/74/763355074.db2.gz CXKIJISDKFCGKC-YJBOKZPZSA-N 2 2 345.447 0.498 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922977 763355085 /nfs/dbraw/zinc/35/50/85/763355085.db2.gz VYCUJQOLKBUEPK-TZMCWYRMSA-N 2 2 333.436 0.247 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046964174 763475588 /nfs/dbraw/zinc/47/55/88/763475588.db2.gz NBNOKVHIQINBNG-GJZGRUSLSA-N 2 2 343.418 0.802 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046964174 763475592 /nfs/dbraw/zinc/47/55/92/763475592.db2.gz NBNOKVHIQINBNG-GJZGRUSLSA-N 2 2 343.418 0.802 20 30 ECEDLP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046964174 763475596 /nfs/dbraw/zinc/47/55/96/763475596.db2.gz NBNOKVHIQINBNG-GJZGRUSLSA-N 2 2 343.418 0.802 20 30 ECEDLP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046964174 763475600 /nfs/dbraw/zinc/47/56/00/763475600.db2.gz NBNOKVHIQINBNG-GJZGRUSLSA-N 2 2 343.418 0.802 20 30 ECEDLP N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)CC1 ZINC001052047540 763691478 /nfs/dbraw/zinc/69/14/78/763691478.db2.gz QBZAHZFXMWOOKN-INIZCTEOSA-N 2 2 338.415 0.690 20 30 ECEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106334055 768161751 /nfs/dbraw/zinc/16/17/51/768161751.db2.gz VOPSUVYVPOFGOH-IXDOHACOSA-N 2 2 344.459 0.779 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052074259 763779268 /nfs/dbraw/zinc/77/92/68/763779268.db2.gz YAIHNAPBBPJRKI-GOSISDBHSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052081946 763800390 /nfs/dbraw/zinc/80/03/90/763800390.db2.gz GTFHNUFUSXCOLK-QGZVFWFLSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052081946 763800396 /nfs/dbraw/zinc/80/03/96/763800396.db2.gz GTFHNUFUSXCOLK-QGZVFWFLSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001052118076 763930669 /nfs/dbraw/zinc/93/06/69/763930669.db2.gz KMAGAOHGDLZYRC-KRWDZBQOSA-N 2 2 329.448 0.433 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001015356640 764428034 /nfs/dbraw/zinc/42/80/34/764428034.db2.gz MHYUDZKLJCHOSI-ZACQAIPSSA-N 2 2 335.448 0.080 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001015356640 764428041 /nfs/dbraw/zinc/42/80/41/764428041.db2.gz MHYUDZKLJCHOSI-ZACQAIPSSA-N 2 2 335.448 0.080 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001015498554 764806399 /nfs/dbraw/zinc/80/63/99/764806399.db2.gz LPBJKUHHWYBUFP-HZPDHXFCSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001015498554 764806407 /nfs/dbraw/zinc/80/64/07/764806407.db2.gz LPBJKUHHWYBUFP-HZPDHXFCSA-N 2 2 348.491 0.838 20 30 ECEDLP C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCO)CC1 ZINC001052987196 765464171 /nfs/dbraw/zinc/46/41/71/765464171.db2.gz GVHHDSNQRZMJGB-BHYGNILZSA-N 2 2 334.464 0.668 20 30 ECEDLP C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCO)CC1 ZINC001052987196 765464176 /nfs/dbraw/zinc/46/41/76/765464176.db2.gz GVHHDSNQRZMJGB-BHYGNILZSA-N 2 2 334.464 0.668 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](Cn1cccn1)[NH+](C)C)CCO2 ZINC001053284736 765903367 /nfs/dbraw/zinc/90/33/67/765903367.db2.gz HAZXRVSWHFSVEH-INIZCTEOSA-N 2 2 347.463 0.303 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)no3)C2)CC1 ZINC001016337606 766145347 /nfs/dbraw/zinc/14/53/47/766145347.db2.gz SDFJIEJGKBTYPL-OAHLLOKOSA-N 2 2 346.431 0.719 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)no3)C2)CC1 ZINC001016337606 766145352 /nfs/dbraw/zinc/14/53/52/766145352.db2.gz SDFJIEJGKBTYPL-OAHLLOKOSA-N 2 2 346.431 0.719 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001046034721 766716151 /nfs/dbraw/zinc/71/61/51/766716151.db2.gz YLQIARBCZKTWAR-QGZVFWFLSA-N 2 2 329.448 0.584 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001046034721 766716161 /nfs/dbraw/zinc/71/61/61/766716161.db2.gz YLQIARBCZKTWAR-QGZVFWFLSA-N 2 2 329.448 0.584 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001046034721 766716170 /nfs/dbraw/zinc/71/61/70/766716170.db2.gz YLQIARBCZKTWAR-QGZVFWFLSA-N 2 2 329.448 0.584 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001046034721 766716178 /nfs/dbraw/zinc/71/61/78/766716178.db2.gz YLQIARBCZKTWAR-QGZVFWFLSA-N 2 2 329.448 0.584 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC001046040758 766749146 /nfs/dbraw/zinc/74/91/46/766749146.db2.gz KPMXJSHOSUGCLL-IAGOWNOFSA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC001046040758 766749148 /nfs/dbraw/zinc/74/91/48/766749148.db2.gz KPMXJSHOSUGCLL-IAGOWNOFSA-N 2 2 343.475 0.850 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)CO2 ZINC001054014678 767602133 /nfs/dbraw/zinc/60/21/33/767602133.db2.gz PRRRMGZQQWWMQI-HZPDHXFCSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)CO2 ZINC001054014678 767602137 /nfs/dbraw/zinc/60/21/37/767602137.db2.gz PRRRMGZQQWWMQI-HZPDHXFCSA-N 2 2 337.464 0.633 20 30 ECEDLP C=CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001098789314 768559639 /nfs/dbraw/zinc/55/96/39/768559639.db2.gz AWIZTGTXXSUTBU-OAHLLOKOSA-N 2 2 329.408 0.614 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001018985793 770483910 /nfs/dbraw/zinc/48/39/10/770483910.db2.gz GDPQNBNHQMTRDR-KBPBESRZSA-N 2 2 331.420 0.420 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(CC)no2)C1 ZINC001018985793 770483913 /nfs/dbraw/zinc/48/39/13/770483913.db2.gz GDPQNBNHQMTRDR-KBPBESRZSA-N 2 2 331.420 0.420 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC001031435316 771070084 /nfs/dbraw/zinc/07/00/84/771070084.db2.gz XKGPWNKZUIWYED-LJQANCHMSA-N 2 2 341.455 0.866 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1=O ZINC001020256994 772361164 /nfs/dbraw/zinc/36/11/64/772361164.db2.gz OCIDPKVJHKVGBS-KJWHEZOQSA-N 2 2 343.431 0.537 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1=O ZINC001020256994 772361171 /nfs/dbraw/zinc/36/11/71/772361171.db2.gz OCIDPKVJHKVGBS-KJWHEZOQSA-N 2 2 343.431 0.537 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001045073328 774935077 /nfs/dbraw/zinc/93/50/77/774935077.db2.gz CMKFNHDOMFDPDT-GJZGRUSLSA-N 2 2 345.447 0.810 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(CC)o1 ZINC001045073328 774935079 /nfs/dbraw/zinc/93/50/79/774935079.db2.gz CMKFNHDOMFDPDT-GJZGRUSLSA-N 2 2 345.447 0.810 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)[C@@H]3COC[C@@H]32)CC1 ZINC001079254609 780928270 /nfs/dbraw/zinc/92/82/70/780928270.db2.gz KQJZNMITGQSOIO-DLBZAZTESA-N 2 2 342.443 0.846 20 30 ECEDLP C#CC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001079263569 780936871 /nfs/dbraw/zinc/93/68/71/780936871.db2.gz BJAVACIKUGUBGY-JKSUJKDBSA-N 2 2 328.416 0.525 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001070966735 784254558 /nfs/dbraw/zinc/25/45/58/784254558.db2.gz KLUYVBVJCWLPIO-JKSUJKDBSA-N 2 2 336.480 0.553 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001070966735 784254561 /nfs/dbraw/zinc/25/45/61/784254561.db2.gz KLUYVBVJCWLPIO-JKSUJKDBSA-N 2 2 336.480 0.553 20 30 ECEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001070966735 784254563 /nfs/dbraw/zinc/25/45/63/784254563.db2.gz KLUYVBVJCWLPIO-JKSUJKDBSA-N 2 2 336.480 0.553 20 30 ECEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001070966735 784254566 /nfs/dbraw/zinc/25/45/66/784254566.db2.gz KLUYVBVJCWLPIO-JKSUJKDBSA-N 2 2 336.480 0.553 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001070970599 784270250 /nfs/dbraw/zinc/27/02/50/784270250.db2.gz NIJIDUIYQULNBL-QGZVFWFLSA-N 2 2 336.480 0.553 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001070970599 784270257 /nfs/dbraw/zinc/27/02/57/784270257.db2.gz NIJIDUIYQULNBL-QGZVFWFLSA-N 2 2 336.480 0.553 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001070970625 784270534 /nfs/dbraw/zinc/27/05/34/784270534.db2.gz OOCLNJCYVWMEBC-UHFFFAOYSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001070970625 784270538 /nfs/dbraw/zinc/27/05/38/784270538.db2.gz OOCLNJCYVWMEBC-UHFFFAOYSA-N 2 2 334.464 0.145 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001070975053 784287395 /nfs/dbraw/zinc/28/73/95/784287395.db2.gz CMAOEBHQTFGXON-INIZCTEOSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001070975053 784287401 /nfs/dbraw/zinc/28/74/01/784287401.db2.gz CMAOEBHQTFGXON-INIZCTEOSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001070975053 784287409 /nfs/dbraw/zinc/28/74/09/784287409.db2.gz CMAOEBHQTFGXON-INIZCTEOSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001070975053 784287415 /nfs/dbraw/zinc/28/74/15/784287415.db2.gz CMAOEBHQTFGXON-INIZCTEOSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001070999997 784367349 /nfs/dbraw/zinc/36/73/49/784367349.db2.gz JKAIIIQNAKVCNN-CVEARBPZSA-N 2 2 336.480 0.411 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001070999997 784367359 /nfs/dbraw/zinc/36/73/59/784367359.db2.gz JKAIIIQNAKVCNN-CVEARBPZSA-N 2 2 336.480 0.411 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001070999997 784367371 /nfs/dbraw/zinc/36/73/71/784367371.db2.gz JKAIIIQNAKVCNN-CVEARBPZSA-N 2 2 336.480 0.411 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001070999997 784367381 /nfs/dbraw/zinc/36/73/81/784367381.db2.gz JKAIIIQNAKVCNN-CVEARBPZSA-N 2 2 336.480 0.411 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001071000135 784371740 /nfs/dbraw/zinc/37/17/40/784371740.db2.gz PPQUCARKFAFMTO-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001071000135 784371745 /nfs/dbraw/zinc/37/17/45/784371745.db2.gz PPQUCARKFAFMTO-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001071000135 784371752 /nfs/dbraw/zinc/37/17/52/784371752.db2.gz PPQUCARKFAFMTO-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001071000135 784371762 /nfs/dbraw/zinc/37/17/62/784371762.db2.gz PPQUCARKFAFMTO-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001073670377 786925779 /nfs/dbraw/zinc/92/57/79/786925779.db2.gz HHQGGRDBPXJREI-HZPDHXFCSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001073670377 786925783 /nfs/dbraw/zinc/92/57/83/786925783.db2.gz HHQGGRDBPXJREI-HZPDHXFCSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001074760103 787776389 /nfs/dbraw/zinc/77/63/89/787776389.db2.gz YLTKXJIFGJQNLD-YVSFHVDLSA-N 2 2 335.448 0.078 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001075394697 789321031 /nfs/dbraw/zinc/32/10/31/789321031.db2.gz FZHBGDFLGLDWDR-NVXWUHKLSA-N 2 2 330.432 0.961 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001075398233 789324619 /nfs/dbraw/zinc/32/46/19/789324619.db2.gz YKVMJKPJAWMYLE-HZPDHXFCSA-N 2 2 330.432 0.961 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1=O ZINC001267456239 837441669 /nfs/dbraw/zinc/44/16/69/837441669.db2.gz QIFPDPUKEPVRCX-CYBMUJFWSA-N 2 2 333.436 0.522 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOCC(F)F)C1 ZINC001266324853 835700980 /nfs/dbraw/zinc/70/09/80/835700980.db2.gz FGYZDGFZZDRURH-KBPBESRZSA-N 2 2 329.391 0.556 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOCC(F)F)C1 ZINC001266324853 835700989 /nfs/dbraw/zinc/70/09/89/835700989.db2.gz FGYZDGFZZDRURH-KBPBESRZSA-N 2 2 329.391 0.556 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOCC(F)F)C1 ZINC001266324853 835700998 /nfs/dbraw/zinc/70/09/98/835700998.db2.gz FGYZDGFZZDRURH-KBPBESRZSA-N 2 2 329.391 0.556 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOCC(F)F)C1 ZINC001266324853 835701002 /nfs/dbraw/zinc/70/10/02/835701002.db2.gz FGYZDGFZZDRURH-KBPBESRZSA-N 2 2 329.391 0.556 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266521104 835935845 /nfs/dbraw/zinc/93/58/45/835935845.db2.gz ZUNHYGILSHWNHW-LSDHHAIUSA-N 2 2 345.447 0.186 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266521104 835935850 /nfs/dbraw/zinc/93/58/50/835935850.db2.gz ZUNHYGILSHWNHW-LSDHHAIUSA-N 2 2 345.447 0.186 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1nc(COC)no1 ZINC001266728664 836207702 /nfs/dbraw/zinc/20/77/02/836207702.db2.gz GMAPBRIAGDSHSJ-KGLIPLIRSA-N 2 2 349.435 0.423 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1nc(COC)no1 ZINC001266728664 836207713 /nfs/dbraw/zinc/20/77/13/836207713.db2.gz GMAPBRIAGDSHSJ-KGLIPLIRSA-N 2 2 349.435 0.423 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001266802157 836325369 /nfs/dbraw/zinc/32/53/69/836325369.db2.gz XCVXIUZSYIOCKW-HOTGVXAUSA-N 2 2 347.463 0.792 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001266860106 836399647 /nfs/dbraw/zinc/39/96/47/836399647.db2.gz XIPXABKIZXXZPX-JKSUJKDBSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001266860106 836399651 /nfs/dbraw/zinc/39/96/51/836399651.db2.gz XIPXABKIZXXZPX-JKSUJKDBSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001266881238 836429328 /nfs/dbraw/zinc/42/93/28/836429328.db2.gz UECHKSXUIIZLHE-LSDHHAIUSA-N 2 2 347.463 0.624 20 30 ECEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001267015607 836622998 /nfs/dbraw/zinc/62/29/98/836622998.db2.gz IOPKORTZPRGGIF-BBWFWOEESA-N 2 2 335.448 0.080 20 30 ECEDLP C#Cc1cccc(NC(=O)C[N@@H+](C)CCNC(=O)CC[NH+](C)C)c1 ZINC001267215930 837006009 /nfs/dbraw/zinc/00/60/09/837006009.db2.gz RHUMWEDTTJEKHI-UHFFFAOYSA-N 2 2 330.432 0.606 20 30 ECEDLP C#Cc1cccc(NC(=O)C[N@H+](C)CCNC(=O)CC[NH+](C)C)c1 ZINC001267215930 837006020 /nfs/dbraw/zinc/00/60/20/837006020.db2.gz RHUMWEDTTJEKHI-UHFFFAOYSA-N 2 2 330.432 0.606 20 30 ECEDLP CC(C)(C(=O)NCC[N@H+](CC(=O)NCC#N)C1CC1)[NH+]1CCCCC1 ZINC001267325821 837202634 /nfs/dbraw/zinc/20/26/34/837202634.db2.gz NAVKGXFBXCTRPA-UHFFFAOYSA-N 2 2 349.479 0.471 20 30 ECEDLP CC(C)(C(=O)NCC[N@@H+](CC(=O)NCC#N)C1CC1)[NH+]1CCCCC1 ZINC001267325821 837202643 /nfs/dbraw/zinc/20/26/43/837202643.db2.gz NAVKGXFBXCTRPA-UHFFFAOYSA-N 2 2 349.479 0.471 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267694106 838276225 /nfs/dbraw/zinc/27/62/25/838276225.db2.gz AYVSLDCKYCDKFF-HNNXBMFYSA-N 2 2 336.480 0.601 20 30 ECEDLP Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000519823886 270007959 /nfs/dbraw/zinc/00/79/59/270007959.db2.gz KLHBXCOTENBNGD-CYBMUJFWSA-N 2 2 331.420 0.310 20 30 ECEDLP Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000519823886 270007960 /nfs/dbraw/zinc/00/79/60/270007960.db2.gz KLHBXCOTENBNGD-CYBMUJFWSA-N 2 2 331.420 0.310 20 30 ECEDLP CC[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(C2CC2)C(=O)C1 ZINC000262781242 278169147 /nfs/dbraw/zinc/16/91/47/278169147.db2.gz KZXOQRWYNCQQIH-UHFFFAOYSA-N 2 2 347.467 0.258 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000340230676 437613159 /nfs/dbraw/zinc/61/31/59/437613159.db2.gz JBNHYIJULQQZPI-UHFFFAOYSA-N 2 2 345.447 0.530 20 30 ECEDLP CCS(=O)(=O)CCNC(=[NH+]C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160003248 436866568 /nfs/dbraw/zinc/86/65/68/436866568.db2.gz PPJCHXRBBQEIND-UONOGXRCSA-N 2 2 341.481 0.776 20 30 ECEDLP C[NH+]=C(NCCNC(=O)C1CC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261947538 436898329 /nfs/dbraw/zinc/89/83/29/436898329.db2.gz GIQZJESKHZDCHM-ZFWWWQNUSA-N 2 2 332.452 0.868 20 30 ECEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000286505343 437093785 /nfs/dbraw/zinc/09/37/85/437093785.db2.gz KNXNDSFLZAZYBU-UHFFFAOYSA-N 2 2 347.463 0.888 20 30 ECEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1ccccc1)[NH+](C)C ZINC000265009190 437101755 /nfs/dbraw/zinc/10/17/55/437101755.db2.gz ZULALIDQHDEABK-QGZVFWFLSA-N 2 2 333.480 0.787 20 30 ECEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1cccs1)[NH+](C)C ZINC000264990607 437102133 /nfs/dbraw/zinc/10/21/33/437102133.db2.gz PUGFTGIBBYMWBB-AWEZNQCLSA-N 2 2 339.509 0.848 20 30 ECEDLP N#Cc1csc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000176852604 437159427 /nfs/dbraw/zinc/15/94/27/437159427.db2.gz IHRPEUKELFAYSD-CQSZACIVSA-N 2 2 334.445 0.642 20 30 ECEDLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000266881044 437260029 /nfs/dbraw/zinc/26/00/29/437260029.db2.gz AEIDRIRTZVHMEV-UHFFFAOYSA-N 2 2 329.408 0.198 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1=O ZINC000337217896 437341895 /nfs/dbraw/zinc/34/18/95/437341895.db2.gz IQIFZVFWYLYTEM-INIZCTEOSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1=O ZINC000337217896 437341899 /nfs/dbraw/zinc/34/18/99/437341899.db2.gz IQIFZVFWYLYTEM-INIZCTEOSA-N 2 2 336.480 0.694 20 30 ECEDLP C[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2C[N@H+](C)CCN2C)C[C@H]1n1cc[nH+]c1 ZINC000329910228 437429689 /nfs/dbraw/zinc/42/96/89/437429689.db2.gz VRNMGYSNIPXLGY-BZUAXINKSA-N 2 2 334.468 0.926 20 30 ECEDLP C[C@@H]1CCN(C([O-])=[NH+]C[C@@H]2C[N@@H+](C)CCN2C)C[C@H]1n1cc[nH+]c1 ZINC000329910228 437429693 /nfs/dbraw/zinc/42/96/93/437429693.db2.gz VRNMGYSNIPXLGY-BZUAXINKSA-N 2 2 334.468 0.926 20 30 ECEDLP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H]1n1cc[nH+]c1 ZINC000329910228 437429697 /nfs/dbraw/zinc/42/96/97/437429697.db2.gz VRNMGYSNIPXLGY-BZUAXINKSA-N 2 2 334.468 0.926 20 30 ECEDLP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H]1n1cc[nH+]c1 ZINC000329910228 437429701 /nfs/dbraw/zinc/42/97/01/437429701.db2.gz VRNMGYSNIPXLGY-BZUAXINKSA-N 2 2 334.468 0.926 20 30 ECEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330275899 437478015 /nfs/dbraw/zinc/47/80/15/437478015.db2.gz MEDJGOQITRREBB-HUUCEWRRSA-N 2 2 333.436 0.766 20 30 ECEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000330523837 437538369 /nfs/dbraw/zinc/53/83/69/437538369.db2.gz PKBGMLXEUWFDQD-WMLDXEAASA-N 2 2 332.452 0.985 20 30 ECEDLP C[C@H](CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000330897338 437644092 /nfs/dbraw/zinc/64/40/92/437644092.db2.gz UCQKVNWDXSCYED-CYBMUJFWSA-N 2 2 348.451 0.745 20 30 ECEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000374779743 438229145 /nfs/dbraw/zinc/22/91/45/438229145.db2.gz LLWXASCQPMNDJE-INIZCTEOSA-N 2 2 348.491 0.814 20 30 ECEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000374779743 438229147 /nfs/dbraw/zinc/22/91/47/438229147.db2.gz LLWXASCQPMNDJE-INIZCTEOSA-N 2 2 348.491 0.814 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375902121 438267396 /nfs/dbraw/zinc/26/73/96/438267396.db2.gz MKAMXHABMLVHCE-OAHLLOKOSA-N 2 2 337.468 0.099 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375902121 438267397 /nfs/dbraw/zinc/26/73/97/438267397.db2.gz MKAMXHABMLVHCE-OAHLLOKOSA-N 2 2 337.468 0.099 20 30 ECEDLP COCC[N@H+](C)CCN1C[C@H](Nc2cc(C)[nH+]cc2C#N)CC1=O ZINC000601177968 438826994 /nfs/dbraw/zinc/82/69/94/438826994.db2.gz GKZGWOQLKMAFDJ-OAHLLOKOSA-N 2 2 331.420 0.275 20 30 ECEDLP COCC[N@@H+](C)CCN1C[C@H](Nc2cc(C)[nH+]cc2C#N)CC1=O ZINC000601177968 438826999 /nfs/dbraw/zinc/82/69/99/438826999.db2.gz GKZGWOQLKMAFDJ-OAHLLOKOSA-N 2 2 331.420 0.275 20 30 ECEDLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595951023 438896370 /nfs/dbraw/zinc/89/63/70/438896370.db2.gz VVDJSWSIHBZKTE-MSOLQXFVSA-N 2 2 343.475 0.940 20 30 ECEDLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595951023 438896376 /nfs/dbraw/zinc/89/63/76/438896376.db2.gz VVDJSWSIHBZKTE-MSOLQXFVSA-N 2 2 343.475 0.940 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602054365 439004544 /nfs/dbraw/zinc/00/45/44/439004544.db2.gz YTNRLGQQJXBPJI-UHFFFAOYSA-N 2 2 349.410 0.636 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc(C#N)c1 ZINC000602054365 439004549 /nfs/dbraw/zinc/00/45/49/439004549.db2.gz YTNRLGQQJXBPJI-UHFFFAOYSA-N 2 2 349.410 0.636 20 30 ECEDLP CN(C)C(=O)CN(CC[NH+](C)C)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000597204069 439055803 /nfs/dbraw/zinc/05/58/03/439055803.db2.gz CNPDGBIYXFHHBS-UHFFFAOYSA-N 2 2 328.420 0.658 20 30 ECEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCCn2cc[nH+]c2)nc1 ZINC000591739696 439077812 /nfs/dbraw/zinc/07/78/12/439077812.db2.gz UDEGQKQIAKBYBB-UHFFFAOYSA-N 2 2 333.417 0.993 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)CC1 ZINC000490593973 439275274 /nfs/dbraw/zinc/27/52/74/439275274.db2.gz IJMNVEGZBLGXCI-UHFFFAOYSA-N 2 2 333.436 0.828 20 30 ECEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCn3cnc(C#N)n3)c2cc1C ZINC000581811832 439252586 /nfs/dbraw/zinc/25/25/86/439252586.db2.gz DAWXNNDRJAFCBS-CQSZACIVSA-N 2 2 339.403 0.767 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@](C)(CC(=O)OCC)C(C)C)CC1 ZINC000491036654 439322905 /nfs/dbraw/zinc/32/29/05/439322905.db2.gz AEEYTRNCESOCGF-SFHVURJKSA-N 2 2 337.464 0.721 20 30 ECEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000490761024 439296653 /nfs/dbraw/zinc/29/66/53/439296653.db2.gz QUDZOWTXLPDZOM-GOSISDBHSA-N 2 2 332.492 0.428 20 30 ECEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000490761024 439296655 /nfs/dbraw/zinc/29/66/55/439296655.db2.gz QUDZOWTXLPDZOM-GOSISDBHSA-N 2 2 332.492 0.428 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000490761024 439296659 /nfs/dbraw/zinc/29/66/59/439296659.db2.gz QUDZOWTXLPDZOM-GOSISDBHSA-N 2 2 332.492 0.428 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CC1 ZINC000490761024 439296663 /nfs/dbraw/zinc/29/66/63/439296663.db2.gz QUDZOWTXLPDZOM-GOSISDBHSA-N 2 2 332.492 0.428 20 30 ECEDLP C#CCNC(=O)[C@@H](C)O[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000490778909 439298706 /nfs/dbraw/zinc/29/87/06/439298706.db2.gz OLHKSYORLARABA-CQSZACIVSA-N 2 2 344.415 0.294 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)CC1 ZINC000490779927 439298969 /nfs/dbraw/zinc/29/89/69/439298969.db2.gz CKFRXRUEWYMEHQ-MRXNPFEDSA-N 2 2 329.448 0.062 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)CC1 ZINC000490779927 439298974 /nfs/dbraw/zinc/29/89/74/439298974.db2.gz CKFRXRUEWYMEHQ-MRXNPFEDSA-N 2 2 329.448 0.062 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)CC1 ZINC000490818776 439301056 /nfs/dbraw/zinc/30/10/56/439301056.db2.gz BDVHAPKWNJPQFF-SFHVURJKSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000491296710 439362220 /nfs/dbraw/zinc/36/22/20/439362220.db2.gz MWBVOZSDDRLKJT-OAHLLOKOSA-N 2 2 337.464 0.673 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000491296710 439362225 /nfs/dbraw/zinc/36/22/25/439362225.db2.gz MWBVOZSDDRLKJT-OAHLLOKOSA-N 2 2 337.464 0.673 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000595126400 439659252 /nfs/dbraw/zinc/65/92/52/439659252.db2.gz WDTVWJBHWLDEOK-UHFFFAOYSA-N 2 2 331.420 0.496 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000595126400 439659254 /nfs/dbraw/zinc/65/92/54/439659254.db2.gz WDTVWJBHWLDEOK-UHFFFAOYSA-N 2 2 331.420 0.496 20 30 ECEDLP C[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C[NH+]1CCOCC1 ZINC000600723807 439695572 /nfs/dbraw/zinc/69/55/72/439695572.db2.gz MEFSZDQYHADVGK-CVEARBPZSA-N 2 2 325.453 0.616 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600728623 439695619 /nfs/dbraw/zinc/69/56/19/439695619.db2.gz VWDSEOGLUDRVLW-GARJFASQSA-N 2 2 336.358 0.846 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600728623 439695620 /nfs/dbraw/zinc/69/56/20/439695620.db2.gz VWDSEOGLUDRVLW-GARJFASQSA-N 2 2 336.358 0.846 20 30 ECEDLP Cn1nnnc1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438662 439697144 /nfs/dbraw/zinc/69/71/44/439697144.db2.gz WSUZXWSSROHBBM-UHFFFAOYSA-N 2 2 325.420 0.878 20 30 ECEDLP C=CC[C@@]1(C(=O)N2CCC(c3nnc4n3CC[NH2+]C4)CC2)CCC[NH2+]1 ZINC000662776013 439885779 /nfs/dbraw/zinc/88/57/79/439885779.db2.gz GHEYORMPYXMEBB-SFHVURJKSA-N 2 2 344.463 0.786 20 30 ECEDLP C=C[C@H](CO)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000662167795 440978664 /nfs/dbraw/zinc/97/86/64/440978664.db2.gz HFLUOGKTMOQIQV-QGZVFWFLSA-N 2 2 347.459 0.866 20 30 ECEDLP C=C[C@H](CO)[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000662163805 440978912 /nfs/dbraw/zinc/97/89/12/440978912.db2.gz LQWFZEZWTOPNEM-OAHLLOKOSA-N 2 2 325.453 0.274 20 30 ECEDLP C[NH+]1CCN(C(=O)C2CCN(C(=O)NCCn3cc[nH+]c3)CC2)CC1 ZINC000328800787 546006775 /nfs/dbraw/zinc/00/67/75/546006775.db2.gz YTGJIDCGUZBELF-UHFFFAOYSA-N 2 2 348.451 0.283 20 30 ECEDLP C[NH+]1CCN(C(=O)C2CCN(C([O-])=[NH+]CCn3cc[nH+]c3)CC2)CC1 ZINC000328800787 546006780 /nfs/dbraw/zinc/00/67/80/546006780.db2.gz YTGJIDCGUZBELF-UHFFFAOYSA-N 2 2 348.451 0.283 20 30 ECEDLP C#C[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCCO1 ZINC000775793653 579271353 /nfs/dbraw/zinc/27/13/53/579271353.db2.gz WPERHFJCZOEDAS-IKGGRYGDSA-N 2 2 337.464 0.230 20 30 ECEDLP C#C[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)[C@@H]1CCCO1 ZINC000775793653 579271354 /nfs/dbraw/zinc/27/13/54/579271354.db2.gz WPERHFJCZOEDAS-IKGGRYGDSA-N 2 2 337.464 0.230 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3nc(C#N)cs3)C2)CC1 ZINC000893024241 586306804 /nfs/dbraw/zinc/30/68/04/586306804.db2.gz SXJNMPABHGGPLS-GFCCVEGCSA-N 2 2 348.476 0.982 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3nc(C#N)cs3)C2)CC1 ZINC000893024241 586306806 /nfs/dbraw/zinc/30/68/06/586306806.db2.gz SXJNMPABHGGPLS-GFCCVEGCSA-N 2 2 348.476 0.982 20 30 ECEDLP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000838623896 586819367 /nfs/dbraw/zinc/81/93/67/586819367.db2.gz VSIFIRQDZODDAW-SFHVURJKSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000838623896 586819368 /nfs/dbraw/zinc/81/93/68/586819368.db2.gz VSIFIRQDZODDAW-SFHVURJKSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000838623896 586819369 /nfs/dbraw/zinc/81/93/69/586819369.db2.gz VSIFIRQDZODDAW-SFHVURJKSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000838623896 586819370 /nfs/dbraw/zinc/81/93/70/586819370.db2.gz VSIFIRQDZODDAW-SFHVURJKSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105322131 589079663 /nfs/dbraw/zinc/07/96/63/589079663.db2.gz LLIKOIXTJZZORK-IAGOWNOFSA-N 2 2 346.475 0.097 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105322131 589079664 /nfs/dbraw/zinc/07/96/64/589079664.db2.gz LLIKOIXTJZZORK-IAGOWNOFSA-N 2 2 346.475 0.097 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2cnn(CC)c2)C(C)C)CC1 ZINC000844418434 589110618 /nfs/dbraw/zinc/11/06/18/589110618.db2.gz UNEREBCHCPBPHM-UHFFFAOYSA-N 2 2 331.464 0.891 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2cnn(CC)c2)C(C)C)CC1 ZINC000844418434 589110620 /nfs/dbraw/zinc/11/06/20/589110620.db2.gz UNEREBCHCPBPHM-UHFFFAOYSA-N 2 2 331.464 0.891 20 30 ECEDLP NC(=[NH+]OC[C@H]1COCCO1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000853657828 589554152 /nfs/dbraw/zinc/55/41/52/589554152.db2.gz JXIMOEHSUJZQOM-MRXNPFEDSA-N 2 2 335.404 0.571 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000854094593 589571018 /nfs/dbraw/zinc/57/10/18/589571018.db2.gz XDTZGOLEQDRNOZ-CQSZACIVSA-N 2 2 335.452 0.734 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000854094593 589571020 /nfs/dbraw/zinc/57/10/20/589571020.db2.gz XDTZGOLEQDRNOZ-CQSZACIVSA-N 2 2 335.452 0.734 20 30 ECEDLP CC(C)(CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[NH+]1CCOCC1 ZINC000867946950 589864587 /nfs/dbraw/zinc/86/45/87/589864587.db2.gz WUSQHVHZNCWULA-KRWDZBQOSA-N 2 2 342.443 0.972 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871219639 590056434 /nfs/dbraw/zinc/05/64/34/590056434.db2.gz FPQSWWPSXZXOSD-KRWDZBQOSA-N 2 2 327.432 0.261 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000871219639 590056436 /nfs/dbraw/zinc/05/64/36/590056436.db2.gz FPQSWWPSXZXOSD-KRWDZBQOSA-N 2 2 327.432 0.261 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000888683279 590344846 /nfs/dbraw/zinc/34/48/46/590344846.db2.gz CPEXAZPHQFAXTJ-INIZCTEOSA-N 3 2 335.496 0.409 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000888683279 590344849 /nfs/dbraw/zinc/34/48/49/590344849.db2.gz CPEXAZPHQFAXTJ-INIZCTEOSA-N 3 2 335.496 0.409 20 30 ECEDLP NC(=[NH+]OCCN1CCOC1=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000882962574 590599715 /nfs/dbraw/zinc/59/97/15/590599715.db2.gz XJNDMUWUKIZUKE-UHFFFAOYSA-N 2 2 348.403 0.608 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000884220562 590780497 /nfs/dbraw/zinc/78/04/97/590780497.db2.gz WQDONZRTYXRXFM-ZNMIVQPWSA-N 2 2 339.436 0.193 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000884220559 590780683 /nfs/dbraw/zinc/78/06/83/590780683.db2.gz WQDONZRTYXRXFM-KKUMJFAQSA-N 2 2 339.436 0.193 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000884420325 590823775 /nfs/dbraw/zinc/82/37/75/590823775.db2.gz PTFFXFQBBRMDAL-KGLIPLIRSA-N 2 2 327.425 0.002 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000890365210 591151752 /nfs/dbraw/zinc/15/17/52/591151752.db2.gz QOCQQZPDIPVBMY-IXDOHACOSA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000890365210 591151754 /nfs/dbraw/zinc/15/17/54/591151754.db2.gz QOCQQZPDIPVBMY-IXDOHACOSA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000890365210 591151756 /nfs/dbraw/zinc/15/17/56/591151756.db2.gz QOCQQZPDIPVBMY-IXDOHACOSA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000890365210 591151759 /nfs/dbraw/zinc/15/17/59/591151759.db2.gz QOCQQZPDIPVBMY-IXDOHACOSA-N 2 2 336.480 0.835 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1 ZINC000890367067 591153621 /nfs/dbraw/zinc/15/36/21/591153621.db2.gz IHTKUNANCJVRQC-QGZVFWFLSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1 ZINC000890367067 591153624 /nfs/dbraw/zinc/15/36/24/591153624.db2.gz IHTKUNANCJVRQC-QGZVFWFLSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)C1 ZINC000890367067 591153626 /nfs/dbraw/zinc/15/36/26/591153626.db2.gz IHTKUNANCJVRQC-QGZVFWFLSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)C1 ZINC000890367067 591153628 /nfs/dbraw/zinc/15/36/28/591153628.db2.gz IHTKUNANCJVRQC-QGZVFWFLSA-N 2 2 349.523 0.799 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)c1cc(C[NH+](C)C)on1)CCO2 ZINC000949129170 609070623 /nfs/dbraw/zinc/07/06/23/609070623.db2.gz AGJAGZULPSLKQG-UHFFFAOYSA-N 2 2 346.431 0.676 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000938170830 609482841 /nfs/dbraw/zinc/48/28/41/609482841.db2.gz PAAYIRGVMCARPD-HOTGVXAUSA-N 2 2 343.431 0.006 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000938170830 609482844 /nfs/dbraw/zinc/48/28/44/609482844.db2.gz PAAYIRGVMCARPD-HOTGVXAUSA-N 2 2 343.431 0.006 20 30 ECEDLP C#CC[C@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000920603667 609687889 /nfs/dbraw/zinc/68/78/89/609687889.db2.gz KLQMMFPNILSANF-MRXNPFEDSA-N 2 2 336.480 0.620 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)CC1(C)C ZINC000940807360 610372301 /nfs/dbraw/zinc/37/23/01/610372301.db2.gz MKJUKEDZPCDVSH-HOTGVXAUSA-N 2 2 348.491 0.389 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)CC1(C)C ZINC000940807360 610372303 /nfs/dbraw/zinc/37/23/03/610372303.db2.gz MKJUKEDZPCDVSH-HOTGVXAUSA-N 2 2 348.491 0.389 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)CC1(C)C ZINC000940807360 610372305 /nfs/dbraw/zinc/37/23/05/610372305.db2.gz MKJUKEDZPCDVSH-HOTGVXAUSA-N 2 2 348.491 0.389 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)CC1(C)C ZINC000940807360 610372307 /nfs/dbraw/zinc/37/23/07/610372307.db2.gz MKJUKEDZPCDVSH-HOTGVXAUSA-N 2 2 348.491 0.389 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000941677126 610449872 /nfs/dbraw/zinc/44/98/72/610449872.db2.gz LODGYZISVOYKGT-IBGZPJMESA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnon3)C[C@H]2C)CC1 ZINC000945180093 610934302 /nfs/dbraw/zinc/93/43/02/610934302.db2.gz KGIUDHPYQWKXRT-PBHICJAKSA-N 2 2 345.447 0.741 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnon3)C[C@H]2C)CC1 ZINC000945180093 610934305 /nfs/dbraw/zinc/93/43/05/610934305.db2.gz KGIUDHPYQWKXRT-PBHICJAKSA-N 2 2 345.447 0.741 20 30 ECEDLP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000949529446 612022389 /nfs/dbraw/zinc/02/23/89/612022389.db2.gz UGZXMQZHGUGWMH-INIZCTEOSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000949529446 612022391 /nfs/dbraw/zinc/02/23/91/612022391.db2.gz UGZXMQZHGUGWMH-INIZCTEOSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC000949529446 612022393 /nfs/dbraw/zinc/02/23/93/612022393.db2.gz UGZXMQZHGUGWMH-INIZCTEOSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC2)C1 ZINC000949529446 612022395 /nfs/dbraw/zinc/02/23/95/612022395.db2.gz UGZXMQZHGUGWMH-INIZCTEOSA-N 2 2 337.464 0.587 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069979191 790271998 /nfs/dbraw/zinc/27/19/98/790271998.db2.gz CSMSIFQFOFOVLN-SJORKVTESA-N 2 2 349.398 0.604 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001069979191 790272001 /nfs/dbraw/zinc/27/20/01/790272001.db2.gz CSMSIFQFOFOVLN-SJORKVTESA-N 2 2 349.398 0.604 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC000970581527 733700790 /nfs/dbraw/zinc/70/07/90/733700790.db2.gz KXKTWJMSHHNRMP-KGLIPLIRSA-N 2 2 331.420 0.238 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167432045 734248477 /nfs/dbraw/zinc/24/84/77/734248477.db2.gz DFTOULXRZQBGCM-OAHLLOKOSA-N 2 2 348.451 0.692 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC000971434501 734587796 /nfs/dbraw/zinc/58/77/96/734587796.db2.gz YCZXMILGUWNKGN-HUUCEWRRSA-N 2 2 345.447 0.662 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1=O ZINC000971434501 734587800 /nfs/dbraw/zinc/58/78/00/734587800.db2.gz YCZXMILGUWNKGN-HUUCEWRRSA-N 2 2 345.447 0.662 20 30 ECEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001098569370 736074921 /nfs/dbraw/zinc/07/49/21/736074921.db2.gz IDTCHQAPMSCEDG-GOSISDBHSA-N 2 2 349.475 0.016 20 30 ECEDLP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001098569370 736074923 /nfs/dbraw/zinc/07/49/23/736074923.db2.gz IDTCHQAPMSCEDG-GOSISDBHSA-N 2 2 349.475 0.016 20 30 ECEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000972409062 736141079 /nfs/dbraw/zinc/14/10/79/736141079.db2.gz NXIUHXDCLZDIBI-AEFFLSMTSA-N 2 2 347.463 0.303 20 30 ECEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000972409062 736141085 /nfs/dbraw/zinc/14/10/85/736141085.db2.gz NXIUHXDCLZDIBI-AEFFLSMTSA-N 2 2 347.463 0.303 20 30 ECEDLP C=CCOCC[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098584045 737661006 /nfs/dbraw/zinc/66/10/06/737661006.db2.gz KZLOCJADPKFSNR-UHFFFAOYSA-N 2 2 336.436 0.371 20 30 ECEDLP C=CCOCC[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098584045 737661010 /nfs/dbraw/zinc/66/10/10/737661010.db2.gz KZLOCJADPKFSNR-UHFFFAOYSA-N 2 2 336.436 0.371 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cccn1 ZINC001024488339 738015771 /nfs/dbraw/zinc/01/57/71/738015771.db2.gz XKCCDRVAVQIVBY-ROUUACIJSA-N 2 2 343.475 0.951 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCn1cccn1 ZINC001024488339 738015777 /nfs/dbraw/zinc/01/57/77/738015777.db2.gz XKCCDRVAVQIVBY-ROUUACIJSA-N 2 2 343.475 0.951 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCn1cccn1 ZINC001024488339 738015779 /nfs/dbraw/zinc/01/57/79/738015779.db2.gz XKCCDRVAVQIVBY-ROUUACIJSA-N 2 2 343.475 0.951 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCn1cccn1 ZINC001024488339 738015782 /nfs/dbraw/zinc/01/57/82/738015782.db2.gz XKCCDRVAVQIVBY-ROUUACIJSA-N 2 2 343.475 0.951 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCN1CCCC1=O ZINC001038369695 741337719 /nfs/dbraw/zinc/33/77/19/741337719.db2.gz WWOAGTJZTUPLAN-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCN1CCCC1=O ZINC001038369695 741337721 /nfs/dbraw/zinc/33/77/21/741337721.db2.gz WWOAGTJZTUPLAN-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCN1CCCC1=O ZINC001038369695 741337726 /nfs/dbraw/zinc/33/77/26/741337726.db2.gz WWOAGTJZTUPLAN-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCN1CCCC1=O ZINC001038369695 741337729 /nfs/dbraw/zinc/33/77/29/741337729.db2.gz WWOAGTJZTUPLAN-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)nn1 ZINC001105273081 741618506 /nfs/dbraw/zinc/61/85/06/741618506.db2.gz YNCWJNZJIFZQGY-UHFFFAOYSA-N 2 2 332.452 0.505 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)[N@H+](C)CC)C2)nn1 ZINC001105273081 741618507 /nfs/dbraw/zinc/61/85/07/741618507.db2.gz YNCWJNZJIFZQGY-UHFFFAOYSA-N 2 2 332.452 0.505 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC001026893006 742036881 /nfs/dbraw/zinc/03/68/81/742036881.db2.gz GIVXAXWMKWBPHJ-CABCVRRESA-N 2 2 331.420 0.414 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnc(C)o2)C1 ZINC001026893006 742036885 /nfs/dbraw/zinc/03/68/85/742036885.db2.gz GIVXAXWMKWBPHJ-CABCVRRESA-N 2 2 331.420 0.414 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC000983390732 742927792 /nfs/dbraw/zinc/92/77/92/742927792.db2.gz DMHVLBMYVRJQQS-WBAXXEDZSA-N 2 2 342.443 0.873 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3C#N)C2)C1 ZINC000983390732 742927797 /nfs/dbraw/zinc/92/77/97/742927797.db2.gz DMHVLBMYVRJQQS-WBAXXEDZSA-N 2 2 342.443 0.873 20 30 ECEDLP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998585519 744243147 /nfs/dbraw/zinc/24/31/47/744243147.db2.gz LPSUHOXRMNAMAH-WXRRBKDZSA-N 2 2 346.269 0.805 20 30 ECEDLP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998585519 744243150 /nfs/dbraw/zinc/24/31/50/744243150.db2.gz LPSUHOXRMNAMAH-WXRRBKDZSA-N 2 2 346.269 0.805 20 30 ECEDLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000998586219 744243891 /nfs/dbraw/zinc/24/38/91/744243891.db2.gz OQUDKPRLMSXIER-DAWZGUTISA-N 2 2 342.443 0.968 20 30 ECEDLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000998586219 744243896 /nfs/dbraw/zinc/24/38/96/744243896.db2.gz OQUDKPRLMSXIER-DAWZGUTISA-N 2 2 342.443 0.968 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC001003057212 748126424 /nfs/dbraw/zinc/12/64/24/748126424.db2.gz XQKCRGJSIJFHSA-SFHVURJKSA-N 2 2 341.459 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC001003057212 748126427 /nfs/dbraw/zinc/12/64/27/748126427.db2.gz XQKCRGJSIJFHSA-SFHVURJKSA-N 2 2 341.459 0.963 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001029852891 748830706 /nfs/dbraw/zinc/83/07/06/748830706.db2.gz JJPJADWGWFQYSR-HOCLYGCPSA-N 2 2 345.447 0.519 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001029852891 748830710 /nfs/dbraw/zinc/83/07/10/748830710.db2.gz JJPJADWGWFQYSR-HOCLYGCPSA-N 2 2 345.447 0.519 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cn(C)nc1C ZINC001027944326 749679044 /nfs/dbraw/zinc/67/90/44/749679044.db2.gz VIFMGCVQGDLHLE-ROUUACIJSA-N 2 2 343.475 0.907 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1C ZINC001027944326 749679049 /nfs/dbraw/zinc/67/90/49/749679049.db2.gz VIFMGCVQGDLHLE-ROUUACIJSA-N 2 2 343.475 0.907 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1cn(C)nc1C ZINC001027944326 749679055 /nfs/dbraw/zinc/67/90/55/749679055.db2.gz VIFMGCVQGDLHLE-ROUUACIJSA-N 2 2 343.475 0.907 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1Cc1cn(C)nc1C ZINC001027944326 749679062 /nfs/dbraw/zinc/67/90/62/749679062.db2.gz VIFMGCVQGDLHLE-ROUUACIJSA-N 2 2 343.475 0.907 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001088505758 750191621 /nfs/dbraw/zinc/19/16/21/750191621.db2.gz UFEJCAQWFPOLRF-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088505758 750191626 /nfs/dbraw/zinc/19/16/26/750191626.db2.gz UFEJCAQWFPOLRF-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001088505758 750191628 /nfs/dbraw/zinc/19/16/28/750191628.db2.gz UFEJCAQWFPOLRF-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001088505758 750191633 /nfs/dbraw/zinc/19/16/33/750191633.db2.gz UFEJCAQWFPOLRF-FHLIZLRMSA-N 2 2 342.443 0.968 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nc(C)no3)[C@H]2C)CC1 ZINC000987576148 750991843 /nfs/dbraw/zinc/99/18/43/750991843.db2.gz NKBVTIRUIGRFTJ-CJNGLKHVSA-N 2 2 345.447 0.802 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)C(=O)NC)C2 ZINC000981819228 751135210 /nfs/dbraw/zinc/13/52/10/751135210.db2.gz SOPFYVWRPAGXCX-CVEARBPZSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)C(=O)NC)C2 ZINC000981819228 751135212 /nfs/dbraw/zinc/13/52/12/751135212.db2.gz SOPFYVWRPAGXCX-CVEARBPZSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@H](C)C(=O)NC)C2 ZINC000981819228 751135214 /nfs/dbraw/zinc/13/52/14/751135214.db2.gz SOPFYVWRPAGXCX-CVEARBPZSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@H](C)C(=O)NC)C2 ZINC000981819228 751135215 /nfs/dbraw/zinc/13/52/15/751135215.db2.gz SOPFYVWRPAGXCX-CVEARBPZSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2nccn2C)CC1 ZINC001028333352 752401264 /nfs/dbraw/zinc/40/12/64/752401264.db2.gz IFYRJWPUQCMWPE-KRWDZBQOSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2nccn2C)CC1 ZINC001028333352 752401269 /nfs/dbraw/zinc/40/12/69/752401269.db2.gz IFYRJWPUQCMWPE-KRWDZBQOSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1C ZINC000988735926 752634035 /nfs/dbraw/zinc/63/40/35/752634035.db2.gz IZJNWJUCNXYTSZ-TWMKSMIVSA-N 2 2 348.491 0.530 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1C ZINC000988735926 752634039 /nfs/dbraw/zinc/63/40/39/752634039.db2.gz IZJNWJUCNXYTSZ-TWMKSMIVSA-N 2 2 348.491 0.530 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001028465966 752743554 /nfs/dbraw/zinc/74/35/54/752743554.db2.gz NWHHIVKRPZGEGN-RBUKOAKNSA-N 2 2 341.455 0.807 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001028465966 752743557 /nfs/dbraw/zinc/74/35/57/752743557.db2.gz NWHHIVKRPZGEGN-RBUKOAKNSA-N 2 2 341.455 0.807 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001028465966 752743565 /nfs/dbraw/zinc/74/35/65/752743565.db2.gz NWHHIVKRPZGEGN-RBUKOAKNSA-N 2 2 341.455 0.807 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001028465966 752743570 /nfs/dbraw/zinc/74/35/70/752743570.db2.gz NWHHIVKRPZGEGN-RBUKOAKNSA-N 2 2 341.455 0.807 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1 ZINC001098680604 753580916 /nfs/dbraw/zinc/58/09/16/753580916.db2.gz IGEROBADPBKJNR-CVEARBPZSA-N 2 2 330.436 0.115 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001098683120 753691273 /nfs/dbraw/zinc/69/12/73/753691273.db2.gz QDWLHQCJAGQMLM-MRXNPFEDSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC001098683120 753691279 /nfs/dbraw/zinc/69/12/79/753691279.db2.gz QDWLHQCJAGQMLM-MRXNPFEDSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC001028600847 753875519 /nfs/dbraw/zinc/87/55/19/753875519.db2.gz FHXGAZOQACAXAN-IRXDYDNUSA-N 2 2 343.475 0.939 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2nccn2CC)C1 ZINC001028600847 753875524 /nfs/dbraw/zinc/87/55/24/753875524.db2.gz FHXGAZOQACAXAN-IRXDYDNUSA-N 2 2 343.475 0.939 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2nccn2CC)C1 ZINC001028600847 753875533 /nfs/dbraw/zinc/87/55/33/753875533.db2.gz FHXGAZOQACAXAN-IRXDYDNUSA-N 2 2 343.475 0.939 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2nccn2CC)C1 ZINC001028600847 753875541 /nfs/dbraw/zinc/87/55/41/753875541.db2.gz FHXGAZOQACAXAN-IRXDYDNUSA-N 2 2 343.475 0.939 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001028603696 753900464 /nfs/dbraw/zinc/90/04/64/753900464.db2.gz HMPSTMFZWOVNLV-WMZOPIPTSA-N 2 2 343.475 0.939 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001028603696 753900471 /nfs/dbraw/zinc/90/04/71/753900471.db2.gz HMPSTMFZWOVNLV-WMZOPIPTSA-N 2 2 343.475 0.939 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001028603696 753900477 /nfs/dbraw/zinc/90/04/77/753900477.db2.gz HMPSTMFZWOVNLV-WMZOPIPTSA-N 2 2 343.475 0.939 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001028603696 753900486 /nfs/dbraw/zinc/90/04/86/753900486.db2.gz HMPSTMFZWOVNLV-WMZOPIPTSA-N 2 2 343.475 0.939 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nc(C)no3)C[C@@H]2C)CC1 ZINC000989828791 754498725 /nfs/dbraw/zinc/49/87/25/754498725.db2.gz IUSCDZLDQIPTIX-BBRMVZONSA-N 2 2 345.447 0.802 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC001009628576 755088903 /nfs/dbraw/zinc/08/89/03/755088903.db2.gz PVGUQYJMQBHNKC-KRWDZBQOSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](Cc3ccnn3C)C2)CC1 ZINC001009628576 755088906 /nfs/dbraw/zinc/08/89/06/755088906.db2.gz PVGUQYJMQBHNKC-KRWDZBQOSA-N 2 2 343.475 0.846 20 30 ECEDLP C=C(C)CC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477519 755607841 /nfs/dbraw/zinc/60/78/41/755607841.db2.gz RUQCPDNFYUFQCX-IKGGRYGDSA-N 2 2 347.463 0.918 20 30 ECEDLP C=C(C)CC[NH+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477519 755607842 /nfs/dbraw/zinc/60/78/42/755607842.db2.gz RUQCPDNFYUFQCX-IKGGRYGDSA-N 2 2 347.463 0.918 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477519 755607843 /nfs/dbraw/zinc/60/78/43/755607843.db2.gz RUQCPDNFYUFQCX-IKGGRYGDSA-N 2 2 347.463 0.918 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477519 755607845 /nfs/dbraw/zinc/60/78/45/755607845.db2.gz RUQCPDNFYUFQCX-IKGGRYGDSA-N 2 2 347.463 0.918 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccccc2)C[C@@H]1O ZINC001083535843 755976086 /nfs/dbraw/zinc/97/60/86/755976086.db2.gz PIWWQXUJPPBRCZ-QYZOEREBSA-N 2 2 341.455 0.488 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccccc2)C[C@@H]1O ZINC001083535843 755976088 /nfs/dbraw/zinc/97/60/88/755976088.db2.gz PIWWQXUJPPBRCZ-QYZOEREBSA-N 2 2 341.455 0.488 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2)C[C@@H]1O ZINC001083535843 755976091 /nfs/dbraw/zinc/97/60/91/755976091.db2.gz PIWWQXUJPPBRCZ-QYZOEREBSA-N 2 2 341.455 0.488 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccccc2)C[C@@H]1O ZINC001083535843 755976094 /nfs/dbraw/zinc/97/60/94/755976094.db2.gz PIWWQXUJPPBRCZ-QYZOEREBSA-N 2 2 341.455 0.488 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nocc3C)C[C@@H]2C1 ZINC001048870255 757238816 /nfs/dbraw/zinc/23/88/16/757238816.db2.gz UZMLCBVRSLYUKD-JZXOWHBKSA-N 2 2 342.443 0.971 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nocc3C)C[C@@H]2C1 ZINC001048870255 757238819 /nfs/dbraw/zinc/23/88/19/757238819.db2.gz UZMLCBVRSLYUKD-JZXOWHBKSA-N 2 2 342.443 0.971 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nocc3C)C[C@@H]2C1 ZINC001048870255 757238825 /nfs/dbraw/zinc/23/88/25/757238825.db2.gz UZMLCBVRSLYUKD-JZXOWHBKSA-N 2 2 342.443 0.971 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nocc3C)C[C@@H]2C1 ZINC001048870255 757238834 /nfs/dbraw/zinc/23/88/34/757238834.db2.gz UZMLCBVRSLYUKD-JZXOWHBKSA-N 2 2 342.443 0.971 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772062 758547657 /nfs/dbraw/zinc/54/76/57/758547657.db2.gz CHRSUZWYOGHHPG-WFASDCNBSA-N 2 2 348.451 0.187 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772062 758547662 /nfs/dbraw/zinc/54/76/62/758547662.db2.gz CHRSUZWYOGHHPG-WFASDCNBSA-N 2 2 348.451 0.187 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001049517307 758842023 /nfs/dbraw/zinc/84/20/23/758842023.db2.gz IKLIRQQRSIKXNL-KURKYZTESA-N 2 2 343.475 0.902 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001049517307 758842032 /nfs/dbraw/zinc/84/20/32/758842032.db2.gz IKLIRQQRSIKXNL-KURKYZTESA-N 2 2 343.475 0.902 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001083633130 759871678 /nfs/dbraw/zinc/87/16/78/759871678.db2.gz IHOAHRGTBPVKHR-CVEARBPZSA-N 2 2 325.372 0.066 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001083633130 759871684 /nfs/dbraw/zinc/87/16/84/759871684.db2.gz IHOAHRGTBPVKHR-CVEARBPZSA-N 2 2 325.372 0.066 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001050984811 761275727 /nfs/dbraw/zinc/27/57/27/761275727.db2.gz BYXDMNUTRSSKIN-BZUAXINKSA-N 2 2 325.453 0.489 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001050984811 761275734 /nfs/dbraw/zinc/27/57/34/761275734.db2.gz BYXDMNUTRSSKIN-BZUAXINKSA-N 2 2 325.453 0.489 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001050984811 761275740 /nfs/dbraw/zinc/27/57/40/761275740.db2.gz BYXDMNUTRSSKIN-BZUAXINKSA-N 2 2 325.453 0.489 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001050984811 761275747 /nfs/dbraw/zinc/27/57/47/761275747.db2.gz BYXDMNUTRSSKIN-BZUAXINKSA-N 2 2 325.453 0.489 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052037137 763653330 /nfs/dbraw/zinc/65/33/30/763653330.db2.gz DSGPRTQQHIZVTR-MSOLQXFVSA-N 2 2 334.508 0.814 20 30 ECEDLP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001052118761 763933378 /nfs/dbraw/zinc/93/33/78/763933378.db2.gz WXCVETHCAJQSOJ-QGZVFWFLSA-N 2 2 329.448 0.433 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001052122041 763944665 /nfs/dbraw/zinc/94/46/65/763944665.db2.gz LLGZHYNPJVXYQA-GOSISDBHSA-N 2 2 343.475 0.074 20 30 ECEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001047436188 764338867 /nfs/dbraw/zinc/33/88/67/764338867.db2.gz UKUUMZXPSRLGKH-JQFCIGGWSA-N 2 2 332.448 0.903 20 30 ECEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001047436188 764338869 /nfs/dbraw/zinc/33/88/69/764338869.db2.gz UKUUMZXPSRLGKH-JQFCIGGWSA-N 2 2 332.448 0.903 20 30 ECEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001047436188 764338874 /nfs/dbraw/zinc/33/88/74/764338874.db2.gz UKUUMZXPSRLGKH-JQFCIGGWSA-N 2 2 332.448 0.903 20 30 ECEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001047436188 764338879 /nfs/dbraw/zinc/33/88/79/764338879.db2.gz UKUUMZXPSRLGKH-JQFCIGGWSA-N 2 2 332.448 0.903 20 30 ECEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001047460948 764414426 /nfs/dbraw/zinc/41/44/26/764414426.db2.gz QTRXRIZAASBIBL-IRXDYDNUSA-N 2 2 332.448 0.842 20 30 ECEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001047460948 764414438 /nfs/dbraw/zinc/41/44/38/764414438.db2.gz QTRXRIZAASBIBL-IRXDYDNUSA-N 2 2 332.448 0.842 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1=O ZINC000991901680 764524363 /nfs/dbraw/zinc/52/43/63/764524363.db2.gz QLALZGCCTWBNGA-OAHLLOKOSA-N 2 2 345.447 0.710 20 30 ECEDLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083780639 764545339 /nfs/dbraw/zinc/54/53/39/764545339.db2.gz FKUHBSPSGDMEDI-QGTPRVQTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083780639 764545345 /nfs/dbraw/zinc/54/53/45/764545345.db2.gz FKUHBSPSGDMEDI-QGTPRVQTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083780639 764545348 /nfs/dbraw/zinc/54/53/48/764545348.db2.gz FKUHBSPSGDMEDI-QGTPRVQTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083780639 764545353 /nfs/dbraw/zinc/54/53/53/764545353.db2.gz FKUHBSPSGDMEDI-QGTPRVQTSA-N 2 2 342.443 0.561 20 30 ECEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001047593522 764813582 /nfs/dbraw/zinc/81/35/82/764813582.db2.gz KNVWSIYTKLSRSU-IRXDYDNUSA-N 2 2 341.415 0.961 20 30 ECEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001047593522 764813592 /nfs/dbraw/zinc/81/35/92/764813592.db2.gz KNVWSIYTKLSRSU-IRXDYDNUSA-N 2 2 341.415 0.961 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001055594832 769209168 /nfs/dbraw/zinc/20/91/68/769209168.db2.gz MARUEZOORKBEPI-KRWDZBQOSA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001055594832 769209174 /nfs/dbraw/zinc/20/91/74/769209174.db2.gz MARUEZOORKBEPI-KRWDZBQOSA-N 2 2 346.475 0.191 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001099345122 771338098 /nfs/dbraw/zinc/33/80/98/771338098.db2.gz XFEPYYRGICKRCR-UPJWGTAASA-N 2 2 333.354 0.319 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001099345122 771338101 /nfs/dbraw/zinc/33/81/01/771338101.db2.gz XFEPYYRGICKRCR-UPJWGTAASA-N 2 2 333.354 0.319 20 30 ECEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708355 781558150 /nfs/dbraw/zinc/55/81/50/781558150.db2.gz FKCWBFODPDZQJK-XMTFNYHQSA-N 2 2 327.428 0.126 20 30 ECEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708355 781558152 /nfs/dbraw/zinc/55/81/52/781558152.db2.gz FKCWBFODPDZQJK-XMTFNYHQSA-N 2 2 327.428 0.126 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708355 781558153 /nfs/dbraw/zinc/55/81/53/781558153.db2.gz FKCWBFODPDZQJK-XMTFNYHQSA-N 2 2 327.428 0.126 20 30 ECEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708355 781558158 /nfs/dbraw/zinc/55/81/58/781558158.db2.gz FKCWBFODPDZQJK-XMTFNYHQSA-N 2 2 327.428 0.126 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070311075 783816450 /nfs/dbraw/zinc/81/64/50/783816450.db2.gz MOKQTNHFPAJFFW-KGLIPLIRSA-N 2 2 343.435 0.897 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CC#C)C1 ZINC001070412844 784007129 /nfs/dbraw/zinc/00/71/29/784007129.db2.gz LSBYNWJZPOFCMS-WBVHZDCISA-N 2 2 339.443 0.546 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1c[nH]nc1[C@@H]1CC[N@@H+](CC#C)C1 ZINC001070412844 784007137 /nfs/dbraw/zinc/00/71/37/784007137.db2.gz LSBYNWJZPOFCMS-WBVHZDCISA-N 2 2 339.443 0.546 20 30 ECEDLP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001070412844 784007149 /nfs/dbraw/zinc/00/71/49/784007149.db2.gz LSBYNWJZPOFCMS-WBVHZDCISA-N 2 2 339.443 0.546 20 30 ECEDLP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001070412844 784007154 /nfs/dbraw/zinc/00/71/54/784007154.db2.gz LSBYNWJZPOFCMS-WBVHZDCISA-N 2 2 339.443 0.546 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1c1cn(C)cn1 ZINC001070517141 784219218 /nfs/dbraw/zinc/21/92/18/784219218.db2.gz ZPPCLKWUKBXENE-GOEBONIOSA-N 2 2 342.447 0.856 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001070963575 784245138 /nfs/dbraw/zinc/24/51/38/784245138.db2.gz YCHRFROGIQJJKW-KRWDZBQOSA-N 2 2 348.491 0.555 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001070963575 784245145 /nfs/dbraw/zinc/24/51/45/784245145.db2.gz YCHRFROGIQJJKW-KRWDZBQOSA-N 2 2 348.491 0.555 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001070971530 784274796 /nfs/dbraw/zinc/27/47/96/784274796.db2.gz DOFCSQHOBJDGPQ-KRWDZBQOSA-N 2 2 336.480 0.246 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001070971530 784274801 /nfs/dbraw/zinc/27/48/01/784274801.db2.gz DOFCSQHOBJDGPQ-KRWDZBQOSA-N 2 2 336.480 0.246 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001267566933 837785614 /nfs/dbraw/zinc/78/56/14/837785614.db2.gz KLLOWXCZDGMPEK-GOEBONIOSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](CCNC(=O)Cc3c[nH]c[nH+]3)C2)C1=O ZINC001267566933 837785619 /nfs/dbraw/zinc/78/56/19/837785619.db2.gz KLLOWXCZDGMPEK-GOEBONIOSA-N 2 2 345.447 0.567 20 30 ECEDLP COCC#CC[N@H+](C)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001266277121 835602307 /nfs/dbraw/zinc/60/23/07/835602307.db2.gz OEQOPLPQKYHYBQ-INIZCTEOSA-N 2 2 333.436 0.488 20 30 ECEDLP COCC#CC[N@@H+](C)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001266277121 835602312 /nfs/dbraw/zinc/60/23/12/835602312.db2.gz OEQOPLPQKYHYBQ-INIZCTEOSA-N 2 2 333.436 0.488 20 30 ECEDLP COCC#CC[NH+](C)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001266277121 835602319 /nfs/dbraw/zinc/60/23/19/835602319.db2.gz OEQOPLPQKYHYBQ-INIZCTEOSA-N 2 2 333.436 0.488 20 30 ECEDLP COCC#CC[NH+](C)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001266277121 835602325 /nfs/dbraw/zinc/60/23/25/835602325.db2.gz OEQOPLPQKYHYBQ-INIZCTEOSA-N 2 2 333.436 0.488 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001266353360 835754328 /nfs/dbraw/zinc/75/43/28/835754328.db2.gz ULGTYESTEJCYDS-KRWDZBQOSA-N 2 2 346.475 0.048 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001266353360 835754339 /nfs/dbraw/zinc/75/43/39/835754339.db2.gz ULGTYESTEJCYDS-KRWDZBQOSA-N 2 2 346.475 0.048 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1nccn1C)C1CC1 ZINC001266411904 835817663 /nfs/dbraw/zinc/81/76/63/835817663.db2.gz HSVLBCFKVQWHRP-HOTGVXAUSA-N 2 2 329.448 0.502 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1nccn1C)C1CC1 ZINC001266411904 835817667 /nfs/dbraw/zinc/81/76/67/835817667.db2.gz HSVLBCFKVQWHRP-HOTGVXAUSA-N 2 2 329.448 0.502 20 30 ECEDLP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)NCC#N)C1 ZINC001266477686 835878792 /nfs/dbraw/zinc/87/87/92/835878792.db2.gz UAZAZVZEUTZYRN-CVEARBPZSA-N 2 2 349.479 0.329 20 30 ECEDLP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)NCC#N)C1 ZINC001266477686 835878797 /nfs/dbraw/zinc/87/87/97/835878797.db2.gz UAZAZVZEUTZYRN-CVEARBPZSA-N 2 2 349.479 0.329 20 30 ECEDLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)C1 ZINC001266477686 835878798 /nfs/dbraw/zinc/87/87/98/835878798.db2.gz UAZAZVZEUTZYRN-CVEARBPZSA-N 2 2 349.479 0.329 20 30 ECEDLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)C1 ZINC001266477686 835878799 /nfs/dbraw/zinc/87/87/99/835878799.db2.gz UAZAZVZEUTZYRN-CVEARBPZSA-N 2 2 349.479 0.329 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001266915737 836474059 /nfs/dbraw/zinc/47/40/59/836474059.db2.gz DSIZKQPUHWQWOV-NFOMZHRRSA-N 2 2 345.447 0.416 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267688171 838256339 /nfs/dbraw/zinc/25/63/39/838256339.db2.gz WYGFIXGKJFVAJB-MRXNPFEDSA-N 2 2 334.464 0.329 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267688171 838256345 /nfs/dbraw/zinc/25/63/45/838256345.db2.gz WYGFIXGKJFVAJB-MRXNPFEDSA-N 2 2 334.464 0.329 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267697113 838290090 /nfs/dbraw/zinc/29/00/90/838290090.db2.gz OVPVMCAVJNOLBU-KBPBESRZSA-N 2 2 333.436 0.423 20 30 ECEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267697113 838290096 /nfs/dbraw/zinc/29/00/96/838290096.db2.gz OVPVMCAVJNOLBU-KBPBESRZSA-N 2 2 333.436 0.423 20 30 ECEDLP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001268074591 839269504 /nfs/dbraw/zinc/26/95/04/839269504.db2.gz BORGLQLRXBKSOW-XHSDSOJGSA-N 2 2 325.453 0.489 20 30 ECEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCc3cncnc3C2)CC1 ZINC000328890082 254594491 /nfs/dbraw/zinc/59/44/91/254594491.db2.gz REUPOZLIFDGDPZ-UHFFFAOYSA-N 2 2 332.452 0.775 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCC(C(=O)OC)CC1 ZINC000262825358 276841743 /nfs/dbraw/zinc/84/17/43/276841743.db2.gz ZQCREECKEPQTDU-UHFFFAOYSA-N 2 2 328.482 0.496 20 30 ECEDLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000093168757 436482397 /nfs/dbraw/zinc/48/23/97/436482397.db2.gz PFZDCVNUFYLJHN-UHFFFAOYSA-N 2 2 330.432 0.781 20 30 ECEDLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000093168757 436482401 /nfs/dbraw/zinc/48/24/01/436482401.db2.gz PFZDCVNUFYLJHN-UHFFFAOYSA-N 2 2 330.432 0.781 20 30 ECEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000104167225 436557770 /nfs/dbraw/zinc/55/77/70/436557770.db2.gz PPFOEPLXIYMDMG-UHFFFAOYSA-N 3 2 345.491 0.671 20 30 ECEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[N@H+]1CCc2ccccc2C1 ZINC000104167225 436557775 /nfs/dbraw/zinc/55/77/75/436557775.db2.gz PPFOEPLXIYMDMG-UHFFFAOYSA-N 3 2 345.491 0.671 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000057152960 436605833 /nfs/dbraw/zinc/60/58/33/436605833.db2.gz SHKBRZIDJZAFBV-OAHLLOKOSA-N 2 2 346.475 0.143 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)CC1 ZINC000107371786 436611125 /nfs/dbraw/zinc/61/11/25/436611125.db2.gz ZPYGPNZQSPOWLU-AEFFLSMTSA-N 2 2 335.496 0.753 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)CC1 ZINC000107371786 436611128 /nfs/dbraw/zinc/61/11/28/436611128.db2.gz ZPYGPNZQSPOWLU-AEFFLSMTSA-N 2 2 335.496 0.753 20 30 ECEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C(C)C ZINC000272397945 436714978 /nfs/dbraw/zinc/71/49/78/436714978.db2.gz ZBEQEHDVWZOWCY-GJZGRUSLSA-N 2 2 345.509 0.563 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000123223784 436739728 /nfs/dbraw/zinc/73/97/28/436739728.db2.gz YFORDJTZDWZDKX-UHFFFAOYSA-N 3 2 334.508 0.818 20 30 ECEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CCN(c2ccccn2)CC1 ZINC000262752355 436942485 /nfs/dbraw/zinc/94/24/85/436942485.db2.gz ABLYQGHYJURUCW-UHFFFAOYSA-N 2 2 348.520 0.828 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCc2nc(C)nn2C1 ZINC000262752090 436942553 /nfs/dbraw/zinc/94/25/53/436942553.db2.gz CCTDQOOMSCOYNO-GFCCVEGCSA-N 2 2 345.455 0.066 20 30 ECEDLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)c1 ZINC000264211114 437018424 /nfs/dbraw/zinc/01/84/24/437018424.db2.gz SGXIQZUMYIWNGL-CQSZACIVSA-N 2 2 331.420 0.973 20 30 ECEDLP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000265009187 437101504 /nfs/dbraw/zinc/10/15/04/437101504.db2.gz ZULALIDQHDEABK-KRWDZBQOSA-N 2 2 333.480 0.787 20 30 ECEDLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1cccc2c1CCCC2 ZINC000267312930 437316921 /nfs/dbraw/zinc/31/69/21/437316921.db2.gz OALOPAAKMLQZKE-OAHLLOKOSA-N 2 2 332.448 0.985 20 30 ECEDLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000329161084 437328396 /nfs/dbraw/zinc/32/83/96/437328396.db2.gz FCRXSQBCQJFXRV-HRCADAONSA-N 2 2 340.468 0.416 20 30 ECEDLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000329161084 437328402 /nfs/dbraw/zinc/32/84/02/437328402.db2.gz FCRXSQBCQJFXRV-HRCADAONSA-N 2 2 340.468 0.416 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1=O ZINC000337199428 437339260 /nfs/dbraw/zinc/33/92/60/437339260.db2.gz AYOAVEGVHOIBAY-INIZCTEOSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1=O ZINC000337199428 437339264 /nfs/dbraw/zinc/33/92/64/437339264.db2.gz AYOAVEGVHOIBAY-INIZCTEOSA-N 2 2 334.464 0.448 20 30 ECEDLP CC[NH+]1CCN([C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH]c[nH+]c4C3)C2)CC1 ZINC000329574344 437385033 /nfs/dbraw/zinc/38/50/33/437385033.db2.gz ARHKRSDDJSNTAE-HUUCEWRRSA-N 2 2 346.479 0.893 20 30 ECEDLP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC000330099581 437454242 /nfs/dbraw/zinc/45/42/42/437454242.db2.gz DGHDJDBEDFYMJQ-INIZCTEOSA-N 2 2 346.479 0.672 20 30 ECEDLP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)c1 ZINC000330099581 437454248 /nfs/dbraw/zinc/45/42/48/437454248.db2.gz DGHDJDBEDFYMJQ-INIZCTEOSA-N 2 2 346.479 0.672 20 30 ECEDLP Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@H]1C[N@@H+](C)CCN1C ZINC000330184749 437466780 /nfs/dbraw/zinc/46/67/80/437466780.db2.gz IRMCDVKYZSBSGH-HOTGVXAUSA-N 2 2 334.468 0.816 20 30 ECEDLP Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@H]1C[N@H+](C)CCN1C ZINC000330184749 437466783 /nfs/dbraw/zinc/46/67/83/437466783.db2.gz IRMCDVKYZSBSGH-HOTGVXAUSA-N 2 2 334.468 0.816 20 30 ECEDLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000330184749 437466784 /nfs/dbraw/zinc/46/67/84/437466784.db2.gz IRMCDVKYZSBSGH-HOTGVXAUSA-N 2 2 334.468 0.816 20 30 ECEDLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000330184749 437466787 /nfs/dbraw/zinc/46/67/87/437466787.db2.gz IRMCDVKYZSBSGH-HOTGVXAUSA-N 2 2 334.468 0.816 20 30 ECEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000330523835 437536920 /nfs/dbraw/zinc/53/69/20/437536920.db2.gz PKBGMLXEUWFDQD-PBHICJAKSA-N 2 2 332.452 0.985 20 30 ECEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000362851210 437758292 /nfs/dbraw/zinc/75/82/92/437758292.db2.gz LTPSSEZQDSQRLI-IAGOWNOFSA-N 2 2 334.464 0.935 20 30 ECEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000362851210 437758295 /nfs/dbraw/zinc/75/82/95/437758295.db2.gz LTPSSEZQDSQRLI-IAGOWNOFSA-N 2 2 334.464 0.935 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCSCC#N)CC2)C1 ZINC000372619579 438106548 /nfs/dbraw/zinc/10/65/48/438106548.db2.gz JOGZPPOVVNHJQS-MRXNPFEDSA-N 2 2 326.510 0.972 20 30 ECEDLP C[C@H]1C[NH+](CCOC2CC[NH+](CC(=O)NCC#N)CC2)C[C@H](C)O1 ZINC000358872036 438320344 /nfs/dbraw/zinc/32/03/44/438320344.db2.gz LPMZIMNLBJCDBC-GJZGRUSLSA-N 2 2 338.452 0.216 20 30 ECEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000578523172 438931826 /nfs/dbraw/zinc/93/18/26/438931826.db2.gz PBJAAWKOFPHNNW-SJORKVTESA-N 2 2 332.448 0.328 20 30 ECEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000578523172 438931827 /nfs/dbraw/zinc/93/18/27/438931827.db2.gz PBJAAWKOFPHNNW-SJORKVTESA-N 2 2 332.448 0.328 20 30 ECEDLP Cc1[nH+]cc2n1C[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)CC2 ZINC000519760175 439059741 /nfs/dbraw/zinc/05/97/41/439059741.db2.gz SFFUNPZVHWSFDQ-MRXNPFEDSA-N 2 2 345.447 0.828 20 30 ECEDLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N(CCC#N)CCC#N)CCO2 ZINC000592184061 439172469 /nfs/dbraw/zinc/17/24/69/439172469.db2.gz YICUQVPTWQWGKC-UHFFFAOYSA-N 2 2 333.436 0.439 20 30 ECEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N(CCC#N)CCC#N)CCO2 ZINC000592184061 439172473 /nfs/dbraw/zinc/17/24/73/439172473.db2.gz YICUQVPTWQWGKC-UHFFFAOYSA-N 2 2 333.436 0.439 20 30 ECEDLP COC(=O)CNC(=O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000602750278 439128238 /nfs/dbraw/zinc/12/82/38/439128238.db2.gz PASNTUAXGQFRDD-UHFFFAOYSA-N 2 2 344.415 0.401 20 30 ECEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000527049801 439250466 /nfs/dbraw/zinc/25/04/66/439250466.db2.gz QHPOCDNGDJAJLV-BRWVUGGUSA-N 2 2 347.507 0.895 20 30 ECEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000527049801 439250469 /nfs/dbraw/zinc/25/04/69/439250469.db2.gz QHPOCDNGDJAJLV-BRWVUGGUSA-N 2 2 347.507 0.895 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000490854150 439304778 /nfs/dbraw/zinc/30/47/78/439304778.db2.gz XUVSVLYYPFJQAK-PKOBYXMFSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000490854150 439304782 /nfs/dbraw/zinc/30/47/82/439304782.db2.gz XUVSVLYYPFJQAK-PKOBYXMFSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000490854150 439304788 /nfs/dbraw/zinc/30/47/88/439304788.db2.gz XUVSVLYYPFJQAK-PKOBYXMFSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000490854150 439304792 /nfs/dbraw/zinc/30/47/92/439304792.db2.gz XUVSVLYYPFJQAK-PKOBYXMFSA-N 2 2 344.503 0.713 20 30 ECEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC1(CC#N)CC1 ZINC000594803961 439616052 /nfs/dbraw/zinc/61/60/52/439616052.db2.gz RWVJRQIIYTZLTK-AWEZNQCLSA-N 2 2 330.498 0.872 20 30 ECEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC1(CC#N)CC1 ZINC000594803961 439616055 /nfs/dbraw/zinc/61/60/55/439616055.db2.gz RWVJRQIIYTZLTK-AWEZNQCLSA-N 2 2 330.498 0.872 20 30 ECEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)nc1 ZINC000594804410 439616693 /nfs/dbraw/zinc/61/66/93/439616693.db2.gz YVIVRAAYLLUONT-ZDUSSCGKSA-N 2 2 339.465 0.504 20 30 ECEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C#N)nc1 ZINC000594804410 439616695 /nfs/dbraw/zinc/61/66/95/439616695.db2.gz YVIVRAAYLLUONT-ZDUSSCGKSA-N 2 2 339.465 0.504 20 30 ECEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccnc1C#N ZINC000594803190 439616837 /nfs/dbraw/zinc/61/68/37/439616837.db2.gz LFWTUIBYMRLICD-ZDUSSCGKSA-N 2 2 339.465 0.504 20 30 ECEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccnc1C#N ZINC000594803190 439616840 /nfs/dbraw/zinc/61/68/40/439616840.db2.gz LFWTUIBYMRLICD-ZDUSSCGKSA-N 2 2 339.465 0.504 20 30 ECEDLP N#Cc1ccc(CN2CC[C@@H]([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2=O)cc1 ZINC000600732699 439696960 /nfs/dbraw/zinc/69/69/60/439696960.db2.gz DEOXHVNHCMLHCZ-QZTJIDSGSA-N 2 2 342.443 0.705 20 30 ECEDLP C=CC[C@]1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CCC[NH2+]1 ZINC000662673081 439839168 /nfs/dbraw/zinc/83/91/68/439839168.db2.gz GMGHRCNDGHHGCW-LJQANCHMSA-N 2 2 348.491 0.841 20 30 ECEDLP C=CC[C@]1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CCC[NH2+]1 ZINC000662673081 439839172 /nfs/dbraw/zinc/83/91/72/439839172.db2.gz GMGHRCNDGHHGCW-LJQANCHMSA-N 2 2 348.491 0.841 20 30 ECEDLP C=CCCn1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC000655938394 440652694 /nfs/dbraw/zinc/65/26/94/440652694.db2.gz UYSVHJKAHGGRKY-WBVHZDCISA-N 2 2 346.479 0.934 20 30 ECEDLP C=CCCn1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC000655938394 440652698 /nfs/dbraw/zinc/65/26/98/440652698.db2.gz UYSVHJKAHGGRKY-WBVHZDCISA-N 2 2 346.479 0.934 20 30 ECEDLP C[C@@H]1C[N@@H+](C2CC2)CC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000755879540 579440412 /nfs/dbraw/zinc/44/04/12/579440412.db2.gz LTIVESSKBMWVNX-GFCCVEGCSA-N 2 2 325.482 0.253 20 30 ECEDLP C[C@@H]1C[N@H+](C2CC2)CC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000755879540 579440413 /nfs/dbraw/zinc/44/04/13/579440413.db2.gz LTIVESSKBMWVNX-GFCCVEGCSA-N 2 2 325.482 0.253 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCN(Cc3[nH+]ccn3CC)CC2)CC1 ZINC000732159313 578320557 /nfs/dbraw/zinc/32/05/57/578320557.db2.gz RVUCKLXTNKHJFF-UHFFFAOYSA-N 2 2 343.475 0.892 20 30 ECEDLP C#CCNS(=O)(=O)N1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000767591683 579111934 /nfs/dbraw/zinc/11/19/34/579111934.db2.gz WLABUXUOFNJZIH-UHFFFAOYSA-N 2 2 339.465 0.057 20 30 ECEDLP C[C@@H]1CN(C(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC000747839006 579855103 /nfs/dbraw/zinc/85/51/03/579855103.db2.gz VSTVMUYEQFFHMI-CYBMUJFWSA-N 2 2 334.420 0.632 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900473043 586633471 /nfs/dbraw/zinc/63/34/71/586633471.db2.gz BVXJGJHEXMSIDO-UHFFFAOYSA-N 2 2 334.508 0.960 20 30 ECEDLP C#CCC[NH+]1CCN(C(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900473043 586633473 /nfs/dbraw/zinc/63/34/73/586633473.db2.gz BVXJGJHEXMSIDO-UHFFFAOYSA-N 2 2 334.508 0.960 20 30 ECEDLP C#CCCCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806910397 587110925 /nfs/dbraw/zinc/11/09/25/587110925.db2.gz VOBTZHMNSZSAJT-INIZCTEOSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCCCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806910397 587110926 /nfs/dbraw/zinc/11/09/26/587110926.db2.gz VOBTZHMNSZSAJT-INIZCTEOSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000806910398 587110935 /nfs/dbraw/zinc/11/09/35/587110935.db2.gz VOBTZHMNSZSAJT-MRXNPFEDSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CCCCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000806910398 587110937 /nfs/dbraw/zinc/11/09/37/587110937.db2.gz VOBTZHMNSZSAJT-MRXNPFEDSA-N 2 2 334.464 0.143 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2cccnc2)C(C)(C)CO)CC1 ZINC000852092082 589442966 /nfs/dbraw/zinc/44/29/66/589442966.db2.gz NASONGKZRLFZEZ-GOSISDBHSA-N 2 2 344.459 0.508 20 30 ECEDLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000872217644 590105496 /nfs/dbraw/zinc/10/54/96/590105496.db2.gz BWLOVYHMJGYCBT-HOTGVXAUSA-N 2 2 333.432 0.733 20 30 ECEDLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000872217644 590105498 /nfs/dbraw/zinc/10/54/98/590105498.db2.gz BWLOVYHMJGYCBT-HOTGVXAUSA-N 2 2 333.432 0.733 20 30 ECEDLP C=CCNC(=O)CN1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873201696 590186511 /nfs/dbraw/zinc/18/65/11/590186511.db2.gz GMQMVRXZGRDQIO-UHFFFAOYSA-N 2 2 334.489 0.814 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000876971597 590430729 /nfs/dbraw/zinc/43/07/29/590430729.db2.gz BSDUPIVYJSSABA-FUHWJXTLSA-N 2 2 339.443 0.251 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000876971597 590430731 /nfs/dbraw/zinc/43/07/31/590430731.db2.gz BSDUPIVYJSSABA-FUHWJXTLSA-N 2 2 339.443 0.251 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000884188417 590767367 /nfs/dbraw/zinc/76/73/67/590767367.db2.gz HLSGTPMOLGFUHI-STQMWFEESA-N 2 2 325.434 0.914 20 30 ECEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](Cc3cccnc3)CC1)C2 ZINC000884306016 590801230 /nfs/dbraw/zinc/80/12/30/590801230.db2.gz PZJVNCCCZLOWBG-HFCFLWKCSA-N 2 2 339.443 0.865 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000884433466 590827101 /nfs/dbraw/zinc/82/71/01/590827101.db2.gz JYDKZQRZMNIZCP-AXFHLTTASA-N 2 2 337.342 0.419 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](Nc2nc(NCCO)[nH+]c(NC(C)C)n2)C1 ZINC000884611329 590871075 /nfs/dbraw/zinc/87/10/75/590871075.db2.gz JMPNJJJSWNAZBA-ZDUSSCGKSA-N 2 2 333.440 0.606 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](Nc2nc(NCCO)[nH+]c(NC(C)C)n2)C1 ZINC000884611329 590871080 /nfs/dbraw/zinc/87/10/80/590871080.db2.gz JMPNJJJSWNAZBA-ZDUSSCGKSA-N 2 2 333.440 0.606 20 30 ECEDLP C=CCC1(O)CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000886755463 590879989 /nfs/dbraw/zinc/87/99/89/590879989.db2.gz JGAVTSAFTMIZSQ-UHFFFAOYSA-N 2 2 339.480 0.616 20 30 ECEDLP C#CCN(C(=O)N[C@@H](CC)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000925612665 609129019 /nfs/dbraw/zinc/12/90/19/609129019.db2.gz SUHOSDCNZXCADS-INIZCTEOSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000923595529 609801100 /nfs/dbraw/zinc/80/11/00/609801100.db2.gz UQZZMFCVVHSUST-HZPDHXFCSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000923595529 609801103 /nfs/dbraw/zinc/80/11/03/609801103.db2.gz UQZZMFCVVHSUST-HZPDHXFCSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000923595529 609801104 /nfs/dbraw/zinc/80/11/04/609801104.db2.gz UQZZMFCVVHSUST-HZPDHXFCSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000923595529 609801107 /nfs/dbraw/zinc/80/11/07/609801107.db2.gz UQZZMFCVVHSUST-HZPDHXFCSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000913998415 609842193 /nfs/dbraw/zinc/84/21/93/609842193.db2.gz LWBBPXHPVWJLRF-SFHVURJKSA-N 2 2 349.523 0.655 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)no3)C2)CC1 ZINC000939808156 610135896 /nfs/dbraw/zinc/13/58/96/610135896.db2.gz CGJCFKAMAAHJLW-CZUORRHYSA-N 2 2 345.447 0.660 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC000941433013 610313280 /nfs/dbraw/zinc/31/32/80/610313280.db2.gz LJWBXTXNZDTPLJ-KRWDZBQOSA-N 2 2 332.492 0.426 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941433013 610313282 /nfs/dbraw/zinc/31/32/82/610313282.db2.gz LJWBXTXNZDTPLJ-KRWDZBQOSA-N 2 2 332.492 0.426 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC3(CC2)C[N@H+](CC#C)CCO3)CC1 ZINC000949531378 612023221 /nfs/dbraw/zinc/02/32/21/612023221.db2.gz GVYWDQGIAQJXLA-UHFFFAOYSA-N 2 2 343.471 0.658 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC3(CC2)C[N@@H+](CC#C)CCO3)CC1 ZINC000949531378 612023222 /nfs/dbraw/zinc/02/32/22/612023222.db2.gz GVYWDQGIAQJXLA-UHFFFAOYSA-N 2 2 343.471 0.658 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC000972040946 735546475 /nfs/dbraw/zinc/54/64/75/735546475.db2.gz VOOVXBMQGCIHRR-HZPDHXFCSA-N 2 2 345.447 0.593 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC000972040946 735546478 /nfs/dbraw/zinc/54/64/78/735546478.db2.gz VOOVXBMQGCIHRR-HZPDHXFCSA-N 2 2 345.447 0.593 20 30 ECEDLP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001167422084 734210980 /nfs/dbraw/zinc/21/09/80/734210980.db2.gz IDEYSTQYGBDZQF-AWEZNQCLSA-N 2 2 345.447 0.214 20 30 ECEDLP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001167422084 734210983 /nfs/dbraw/zinc/21/09/83/734210983.db2.gz IDEYSTQYGBDZQF-AWEZNQCLSA-N 2 2 345.447 0.214 20 30 ECEDLP CCc1nsc(N2CCN(C(NCC[NH+]3CCC3)=[NH+]C)CC2)n1 ZINC000261847272 734377429 /nfs/dbraw/zinc/37/74/29/734377429.db2.gz XLRCEIGQWMNKTD-UHFFFAOYSA-N 2 2 337.497 0.504 20 30 ECEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971272704 734415097 /nfs/dbraw/zinc/41/50/97/734415097.db2.gz YOEOLNJANZUDAI-ZWKOTPCHSA-N 2 2 342.443 0.922 20 30 ECEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971272704 734415100 /nfs/dbraw/zinc/41/51/00/734415100.db2.gz YOEOLNJANZUDAI-ZWKOTPCHSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971272704 734415105 /nfs/dbraw/zinc/41/51/05/734415105.db2.gz YOEOLNJANZUDAI-ZWKOTPCHSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971272704 734415107 /nfs/dbraw/zinc/41/51/07/734415107.db2.gz YOEOLNJANZUDAI-ZWKOTPCHSA-N 2 2 342.443 0.922 20 30 ECEDLP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972315988 735934450 /nfs/dbraw/zinc/93/44/50/735934450.db2.gz KNGHCCQPBGFGDF-WMZOPIPTSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972315988 735934452 /nfs/dbraw/zinc/93/44/52/735934452.db2.gz KNGHCCQPBGFGDF-WMZOPIPTSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315988 735934453 /nfs/dbraw/zinc/93/44/53/735934453.db2.gz KNGHCCQPBGFGDF-WMZOPIPTSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000972315988 735934455 /nfs/dbraw/zinc/93/44/55/735934455.db2.gz KNGHCCQPBGFGDF-WMZOPIPTSA-N 2 2 337.464 0.587 20 30 ECEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000972410587 736144270 /nfs/dbraw/zinc/14/42/70/736144270.db2.gz SRZYBEYUFKOVMI-PKOBYXMFSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000972410587 736144272 /nfs/dbraw/zinc/14/42/72/736144272.db2.gz SRZYBEYUFKOVMI-PKOBYXMFSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000972410587 736144275 /nfs/dbraw/zinc/14/42/75/736144275.db2.gz SRZYBEYUFKOVMI-PKOBYXMFSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000972410587 736144276 /nfs/dbraw/zinc/14/42/76/736144276.db2.gz SRZYBEYUFKOVMI-PKOBYXMFSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC001023423640 736806133 /nfs/dbraw/zinc/80/61/33/736806133.db2.gz BNIIBIRXFNDJSN-AEFFLSMTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cncn2C)C1 ZINC001023423640 736806134 /nfs/dbraw/zinc/80/61/34/736806134.db2.gz BNIIBIRXFNDJSN-AEFFLSMTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2cncn2C)C1 ZINC001023423640 736806136 /nfs/dbraw/zinc/80/61/36/736806136.db2.gz BNIIBIRXFNDJSN-AEFFLSMTSA-N 2 2 343.475 0.846 20 30 ECEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972617628 737108525 /nfs/dbraw/zinc/10/85/25/737108525.db2.gz RINZXNURBHZOHA-SFHVURJKSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972617628 737108528 /nfs/dbraw/zinc/10/85/28/737108528.db2.gz RINZXNURBHZOHA-SFHVURJKSA-N 2 2 337.464 0.587 20 30 ECEDLP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682068 737369710 /nfs/dbraw/zinc/36/97/10/737369710.db2.gz CHROSGKDMRMGEL-AEFFLSMTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682068 737369716 /nfs/dbraw/zinc/36/97/16/737369716.db2.gz CHROSGKDMRMGEL-AEFFLSMTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682068 737369721 /nfs/dbraw/zinc/36/97/21/737369721.db2.gz CHROSGKDMRMGEL-AEFFLSMTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682068 737369727 /nfs/dbraw/zinc/36/97/27/737369727.db2.gz CHROSGKDMRMGEL-AEFFLSMTSA-N 2 2 335.448 0.034 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001024217386 737824854 /nfs/dbraw/zinc/82/48/54/737824854.db2.gz YGCLCOPYSNVIMB-LSDHHAIUSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)nn1 ZINC001105337006 742440273 /nfs/dbraw/zinc/44/02/73/742440273.db2.gz PEYHJYDZBXKDJO-KRWDZBQOSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)nn1 ZINC001105337006 742440277 /nfs/dbraw/zinc/44/02/77/742440277.db2.gz PEYHJYDZBXKDJO-KRWDZBQOSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)nn1 ZINC001105337174 742441808 /nfs/dbraw/zinc/44/18/08/742441808.db2.gz UUCKPFOHISYQQE-HNNXBMFYSA-N 2 2 344.463 0.649 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC000997413976 743581074 /nfs/dbraw/zinc/58/10/74/743581074.db2.gz XYYNFTNRKFYKLP-OAHLLOKOSA-N 2 2 331.420 0.251 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000997830974 743842015 /nfs/dbraw/zinc/84/20/15/743842015.db2.gz FNUVCINMCMVTHI-INIZCTEOSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1 ZINC000997830974 743842018 /nfs/dbraw/zinc/84/20/18/743842018.db2.gz FNUVCINMCMVTHI-INIZCTEOSA-N 2 2 347.488 0.964 20 30 ECEDLP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998814128 744357052 /nfs/dbraw/zinc/35/70/52/744357052.db2.gz XWRSURVGVJITFZ-CHWSQXEVSA-N 2 2 346.269 0.806 20 30 ECEDLP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998814128 744357054 /nfs/dbraw/zinc/35/70/54/744357054.db2.gz XWRSURVGVJITFZ-CHWSQXEVSA-N 2 2 346.269 0.806 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001029757809 748268168 /nfs/dbraw/zinc/26/81/68/748268168.db2.gz IOFDOKANWBQVDN-CVEARBPZSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001029757809 748268171 /nfs/dbraw/zinc/26/81/71/748268171.db2.gz IOFDOKANWBQVDN-CVEARBPZSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2ncnn2C)C1 ZINC001029757809 748268175 /nfs/dbraw/zinc/26/81/75/748268175.db2.gz IOFDOKANWBQVDN-CVEARBPZSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2ncnn2C)C1 ZINC001029757809 748268178 /nfs/dbraw/zinc/26/81/78/748268178.db2.gz IOFDOKANWBQVDN-CVEARBPZSA-N 2 2 344.463 0.193 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1=O ZINC000981327643 750588152 /nfs/dbraw/zinc/58/81/52/750588152.db2.gz UZHNSLBJEXGWCR-INIZCTEOSA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1=O ZINC000981327643 750588155 /nfs/dbraw/zinc/58/81/55/750588155.db2.gz UZHNSLBJEXGWCR-INIZCTEOSA-N 2 2 348.491 0.792 20 30 ECEDLP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001005754879 750595788 /nfs/dbraw/zinc/59/57/88/750595788.db2.gz DTTRUTBRTXJXRJ-MSOLQXFVSA-N 2 2 349.475 0.422 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001007952627 753121634 /nfs/dbraw/zinc/12/16/34/753121634.db2.gz MYTCNJOXZUQSIH-JKSUJKDBSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001007952627 753121638 /nfs/dbraw/zinc/12/16/38/753121638.db2.gz MYTCNJOXZUQSIH-JKSUJKDBSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001009513060 754965324 /nfs/dbraw/zinc/96/53/24/754965324.db2.gz FBCUQJZAEDIJLO-CVEARBPZSA-N 2 2 334.464 0.450 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001009513060 754965329 /nfs/dbraw/zinc/96/53/29/754965329.db2.gz FBCUQJZAEDIJLO-CVEARBPZSA-N 2 2 334.464 0.450 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001083478129 755610195 /nfs/dbraw/zinc/61/01/95/755610195.db2.gz WJIDJINAQCIFJB-CVEARBPZSA-N 2 2 332.448 0.889 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001083478129 755610201 /nfs/dbraw/zinc/61/02/01/755610201.db2.gz WJIDJINAQCIFJB-CVEARBPZSA-N 2 2 332.448 0.889 20 30 ECEDLP C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC001107147292 757045161 /nfs/dbraw/zinc/04/51/61/757045161.db2.gz YBPHSVHCCVNJJM-INIZCTEOSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001107147292 757045172 /nfs/dbraw/zinc/04/51/72/757045172.db2.gz YBPHSVHCCVNJJM-INIZCTEOSA-N 2 2 348.451 0.048 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)on3)C[C@@H]2C1 ZINC001048868891 757234753 /nfs/dbraw/zinc/23/47/53/757234753.db2.gz QHZPCCJNZZINKE-JZXOWHBKSA-N 2 2 342.443 0.971 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)on3)C[C@@H]2C1 ZINC001048868891 757234758 /nfs/dbraw/zinc/23/47/58/757234758.db2.gz QHZPCCJNZZINKE-JZXOWHBKSA-N 2 2 342.443 0.971 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cc(C)on3)C[C@@H]2C1 ZINC001048868891 757234762 /nfs/dbraw/zinc/23/47/62/757234762.db2.gz QHZPCCJNZZINKE-JZXOWHBKSA-N 2 2 342.443 0.971 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cc(C)on3)C[C@@H]2C1 ZINC001048868891 757234769 /nfs/dbraw/zinc/23/47/69/757234769.db2.gz QHZPCCJNZZINKE-JZXOWHBKSA-N 2 2 342.443 0.971 20 30 ECEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@H]2C1 ZINC001048960631 757522791 /nfs/dbraw/zinc/52/27/91/757522791.db2.gz GQPFKUREUMBAOW-OTWHNJEPSA-N 2 2 345.487 0.901 20 30 ECEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@H]2C1 ZINC001048960631 757522801 /nfs/dbraw/zinc/52/28/01/757522801.db2.gz GQPFKUREUMBAOW-OTWHNJEPSA-N 2 2 345.487 0.901 20 30 ECEDLP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@H]2C1 ZINC001048960631 757522809 /nfs/dbraw/zinc/52/28/09/757522809.db2.gz GQPFKUREUMBAOW-OTWHNJEPSA-N 2 2 345.487 0.901 20 30 ECEDLP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@H]2C1 ZINC001048960631 757522814 /nfs/dbraw/zinc/52/28/14/757522814.db2.gz GQPFKUREUMBAOW-OTWHNJEPSA-N 2 2 345.487 0.901 20 30 ECEDLP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3COCC[N@H+]3CCCC)C[C@H]2C1 ZINC001048960813 757525050 /nfs/dbraw/zinc/52/50/50/757525050.db2.gz NMAWQDOGXUFQRT-FGTMMUONSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001048960813 757525054 /nfs/dbraw/zinc/52/50/54/757525054.db2.gz NMAWQDOGXUFQRT-FGTMMUONSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCC[NH+]3CCCC)C[C@H]2C1 ZINC001048960813 757525057 /nfs/dbraw/zinc/52/50/57/757525057.db2.gz NMAWQDOGXUFQRT-FGTMMUONSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCC[NH+]3CCCC)C[C@H]2C1 ZINC001048960813 757525060 /nfs/dbraw/zinc/52/50/60/757525060.db2.gz NMAWQDOGXUFQRT-FGTMMUONSA-N 2 2 333.476 0.901 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1 ZINC001021927967 758073986 /nfs/dbraw/zinc/07/39/86/758073986.db2.gz KDGMCLWQVRELLL-UXLLHSPISA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1 ZINC001021927967 758073998 /nfs/dbraw/zinc/07/39/98/758073998.db2.gz KDGMCLWQVRELLL-UXLLHSPISA-N 2 2 346.406 0.765 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC000996685196 758468458 /nfs/dbraw/zinc/46/84/58/758468458.db2.gz NHFXYIBHPGEKQF-HNNXBMFYSA-N 2 2 330.436 0.291 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC000996685196 758468462 /nfs/dbraw/zinc/46/84/62/758468462.db2.gz NHFXYIBHPGEKQF-HNNXBMFYSA-N 2 2 330.436 0.291 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772059 758548082 /nfs/dbraw/zinc/54/80/82/758548082.db2.gz CHRSUZWYOGHHPG-DOMZBBRYSA-N 2 2 348.451 0.187 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772059 758548085 /nfs/dbraw/zinc/54/80/85/758548085.db2.gz CHRSUZWYOGHHPG-DOMZBBRYSA-N 2 2 348.451 0.187 20 30 ECEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001049517920 758845047 /nfs/dbraw/zinc/84/50/47/758845047.db2.gz NMADOLWZYORTAE-BRWVUGGUSA-N 2 2 329.448 0.512 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001049517920 758845055 /nfs/dbraw/zinc/84/50/55/758845055.db2.gz NMADOLWZYORTAE-BRWVUGGUSA-N 2 2 329.448 0.512 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001077366571 758917531 /nfs/dbraw/zinc/91/75/31/758917531.db2.gz PDCWKLVIRQMVRD-HZPDHXFCSA-N 2 2 325.372 0.066 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001077366571 758917533 /nfs/dbraw/zinc/91/75/33/758917533.db2.gz PDCWKLVIRQMVRD-HZPDHXFCSA-N 2 2 325.372 0.066 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083722990 767954686 /nfs/dbraw/zinc/95/46/86/767954686.db2.gz QDFVUOAVLPPCOP-KURKYZTESA-N 2 2 333.476 0.968 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083722990 767954691 /nfs/dbraw/zinc/95/46/91/767954691.db2.gz QDFVUOAVLPPCOP-KURKYZTESA-N 2 2 333.476 0.968 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083722990 767954696 /nfs/dbraw/zinc/95/46/96/767954696.db2.gz QDFVUOAVLPPCOP-KURKYZTESA-N 2 2 333.476 0.968 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083722990 767954699 /nfs/dbraw/zinc/95/46/99/767954699.db2.gz QDFVUOAVLPPCOP-KURKYZTESA-N 2 2 333.476 0.968 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000995921309 760779775 /nfs/dbraw/zinc/77/97/75/760779775.db2.gz HOEUMADDSDRQNY-JKSUJKDBSA-N 2 2 343.475 0.844 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000995921309 760779777 /nfs/dbraw/zinc/77/97/77/760779777.db2.gz HOEUMADDSDRQNY-JKSUJKDBSA-N 2 2 343.475 0.844 20 30 ECEDLP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046924028 763394095 /nfs/dbraw/zinc/39/40/95/763394095.db2.gz BRKZINNVZBZFKN-UONOGXRCSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046924028 763394101 /nfs/dbraw/zinc/39/41/01/763394101.db2.gz BRKZINNVZBZFKN-UONOGXRCSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046924028 763394108 /nfs/dbraw/zinc/39/41/08/763394108.db2.gz BRKZINNVZBZFKN-UONOGXRCSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046924028 763394118 /nfs/dbraw/zinc/39/41/18/763394118.db2.gz BRKZINNVZBZFKN-UONOGXRCSA-N 2 2 329.391 0.414 20 30 ECEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CCO2)s1 ZINC001051949221 763423510 /nfs/dbraw/zinc/42/35/10/763423510.db2.gz XOJGJKWGIRPNKI-CYBMUJFWSA-N 2 2 345.428 0.833 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046994392 763531685 /nfs/dbraw/zinc/53/16/85/763531685.db2.gz FDUXBTYCHVJWCO-UONOGXRCSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046994392 763531688 /nfs/dbraw/zinc/53/16/88/763531688.db2.gz FDUXBTYCHVJWCO-UONOGXRCSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046994392 763531690 /nfs/dbraw/zinc/53/16/90/763531690.db2.gz FDUXBTYCHVJWCO-UONOGXRCSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046994392 763531694 /nfs/dbraw/zinc/53/16/94/763531694.db2.gz FDUXBTYCHVJWCO-UONOGXRCSA-N 2 2 329.391 0.414 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001052061302 763744134 /nfs/dbraw/zinc/74/41/34/763744134.db2.gz WPJDDWLGYRAKSC-KRWDZBQOSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001052061302 763744136 /nfs/dbraw/zinc/74/41/36/763744136.db2.gz WPJDDWLGYRAKSC-KRWDZBQOSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941501779 763784007 /nfs/dbraw/zinc/78/40/07/763784007.db2.gz HLTYJRLWAILYRO-GOSISDBHSA-N 2 2 330.476 0.322 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081682 763798545 /nfs/dbraw/zinc/79/85/45/763798545.db2.gz FBCXEQKJEGELEK-ZWKOTPCHSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081682 763798550 /nfs/dbraw/zinc/79/85/50/763798550.db2.gz FBCXEQKJEGELEK-ZWKOTPCHSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081682 763798554 /nfs/dbraw/zinc/79/85/54/763798554.db2.gz FBCXEQKJEGELEK-ZWKOTPCHSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081682 763798557 /nfs/dbraw/zinc/79/85/57/763798557.db2.gz FBCXEQKJEGELEK-ZWKOTPCHSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001052093039 763834525 /nfs/dbraw/zinc/83/45/25/763834525.db2.gz IZWVPZMOSVYODA-LJQANCHMSA-N 2 2 346.519 0.960 20 30 ECEDLP C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117077 763926511 /nfs/dbraw/zinc/92/65/11/763926511.db2.gz FSMOXGQLKRUJRS-HOTGVXAUSA-N 2 2 340.899 0.909 20 30 ECEDLP C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117077 763926521 /nfs/dbraw/zinc/92/65/21/763926521.db2.gz FSMOXGQLKRUJRS-HOTGVXAUSA-N 2 2 340.899 0.909 20 30 ECEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001047388775 764188813 /nfs/dbraw/zinc/18/88/13/764188813.db2.gz KWJSLAGUAILQRX-HOTGVXAUSA-N 2 2 330.432 0.289 20 30 ECEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001047388775 764188817 /nfs/dbraw/zinc/18/88/17/764188817.db2.gz KWJSLAGUAILQRX-HOTGVXAUSA-N 2 2 330.432 0.289 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC001098784885 768203649 /nfs/dbraw/zinc/20/36/49/768203649.db2.gz MKMZTSOINXICBS-INIZCTEOSA-N 2 2 341.419 0.370 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001078261654 782582711 /nfs/dbraw/zinc/58/27/11/782582711.db2.gz ACAPOZMTIXXUDB-HZPDHXFCSA-N 2 2 333.432 0.920 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001078261654 782582722 /nfs/dbraw/zinc/58/27/22/782582722.db2.gz ACAPOZMTIXXUDB-HZPDHXFCSA-N 2 2 333.432 0.920 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001046080152 766915655 /nfs/dbraw/zinc/91/56/55/766915655.db2.gz ASAIVLJPZAGPFH-MRXNPFEDSA-N 2 2 329.448 0.502 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046082038 766920938 /nfs/dbraw/zinc/92/09/38/766920938.db2.gz RQJCDOCRARLZAL-GOSISDBHSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046082038 766920941 /nfs/dbraw/zinc/92/09/41/766920941.db2.gz RQJCDOCRARLZAL-GOSISDBHSA-N 2 2 343.475 0.595 20 30 ECEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)O1 ZINC001031769839 767175708 /nfs/dbraw/zinc/17/57/08/767175708.db2.gz RBGMCARMBXPKBS-VQIMIIECSA-N 2 2 341.455 0.805 20 30 ECEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)O1 ZINC001031769839 767175709 /nfs/dbraw/zinc/17/57/09/767175709.db2.gz RBGMCARMBXPKBS-VQIMIIECSA-N 2 2 341.455 0.805 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053905200 767316550 /nfs/dbraw/zinc/31/65/50/767316550.db2.gz YVZZHZDOPHUOIJ-JKSUJKDBSA-N 2 2 335.448 0.078 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053905200 767316555 /nfs/dbraw/zinc/31/65/55/767316555.db2.gz YVZZHZDOPHUOIJ-JKSUJKDBSA-N 2 2 335.448 0.078 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106499104 768378595 /nfs/dbraw/zinc/37/85/95/768378595.db2.gz ZBCATOWJTRXXDX-HUUCEWRRSA-N 2 2 333.436 0.260 20 30 ECEDLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710347 768697590 /nfs/dbraw/zinc/69/75/90/768697590.db2.gz HFBDWAGOGQIEFS-QLFBSQMISA-N 2 2 346.435 0.158 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C(F)(F)F ZINC001099269308 768965044 /nfs/dbraw/zinc/96/50/44/768965044.db2.gz GUQRHFJDXMXXIR-FDYHWXHSSA-N 2 2 333.354 0.318 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C(F)(F)F ZINC001099269308 768965047 /nfs/dbraw/zinc/96/50/47/768965047.db2.gz GUQRHFJDXMXXIR-FDYHWXHSSA-N 2 2 333.354 0.318 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001018266441 769000808 /nfs/dbraw/zinc/00/08/08/769000808.db2.gz OJEVELVQIJQZBB-MWDXBVQZSA-N 2 2 346.475 0.400 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001018266441 769000816 /nfs/dbraw/zinc/00/08/16/769000816.db2.gz OJEVELVQIJQZBB-MWDXBVQZSA-N 2 2 346.475 0.400 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001018266441 769000824 /nfs/dbraw/zinc/00/08/24/769000824.db2.gz OJEVELVQIJQZBB-MWDXBVQZSA-N 2 2 346.475 0.400 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001018266441 769000832 /nfs/dbraw/zinc/00/08/32/769000832.db2.gz OJEVELVQIJQZBB-MWDXBVQZSA-N 2 2 346.475 0.400 20 30 ECEDLP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001055567830 769134486 /nfs/dbraw/zinc/13/44/86/769134486.db2.gz PZQWCDCUBSWKNL-CYBMUJFWSA-N 2 2 346.435 0.199 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnc(CC)[nH]2)C1 ZINC001020250337 772350048 /nfs/dbraw/zinc/35/00/48/772350048.db2.gz CCWATJOFDWSTNJ-TUVASFSCSA-N 2 2 344.463 0.763 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnc(CC)[nH]2)C1 ZINC001020250337 772350053 /nfs/dbraw/zinc/35/00/53/772350053.db2.gz CCWATJOFDWSTNJ-TUVASFSCSA-N 2 2 344.463 0.763 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH+]cn2C)C1=O ZINC001045276537 775299614 /nfs/dbraw/zinc/29/96/14/775299614.db2.gz XVGJJRKBTOWWMA-GOEBONIOSA-N 2 2 345.447 0.330 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001080177730 777507436 /nfs/dbraw/zinc/50/74/36/777507436.db2.gz XWJMFKWOCMNUCN-TVFCKZIOSA-N 2 2 349.475 0.326 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001080177730 777507440 /nfs/dbraw/zinc/50/74/40/777507440.db2.gz XWJMFKWOCMNUCN-TVFCKZIOSA-N 2 2 349.475 0.326 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001078758289 780454079 /nfs/dbraw/zinc/45/40/79/780454079.db2.gz ZWMAINPGIKWXAR-AWEZNQCLSA-N 2 2 345.447 0.308 20 30 ECEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079525833 781220792 /nfs/dbraw/zinc/22/07/92/781220792.db2.gz DZESGQJKOPMPRP-ZTFGCOKTSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001079525833 781220798 /nfs/dbraw/zinc/22/07/98/781220798.db2.gz DZESGQJKOPMPRP-ZTFGCOKTSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001079525833 781220801 /nfs/dbraw/zinc/22/08/01/781220801.db2.gz DZESGQJKOPMPRP-ZTFGCOKTSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001079525833 781220806 /nfs/dbraw/zinc/22/08/06/781220806.db2.gz DZESGQJKOPMPRP-ZTFGCOKTSA-N 2 2 342.443 0.825 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCF)C1 ZINC001070502441 784199316 /nfs/dbraw/zinc/19/93/16/784199316.db2.gz QWLIPSHIXWFVII-UAGQMJEPSA-N 2 2 347.438 0.371 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCF)C1 ZINC001070502441 784199319 /nfs/dbraw/zinc/19/93/19/784199319.db2.gz QWLIPSHIXWFVII-UAGQMJEPSA-N 2 2 347.438 0.371 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001070970488 784269391 /nfs/dbraw/zinc/26/93/91/784269391.db2.gz HVUXNPHJVWHILR-UHFFFAOYSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001070970488 784269394 /nfs/dbraw/zinc/26/93/94/784269394.db2.gz HVUXNPHJVWHILR-UHFFFAOYSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001070970488 784269400 /nfs/dbraw/zinc/26/94/00/784269400.db2.gz HVUXNPHJVWHILR-UHFFFAOYSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001070970488 784269405 /nfs/dbraw/zinc/26/94/05/784269405.db2.gz HVUXNPHJVWHILR-UHFFFAOYSA-N 2 2 334.464 0.145 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC001070600375 784415842 /nfs/dbraw/zinc/41/58/42/784415842.db2.gz SRAWYMZUZVNCHQ-GJZGRUSLSA-N 2 2 344.419 0.994 20 30 ECEDLP C=CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)Cn2cc[nH+]c2)n1 ZINC001070600375 784415845 /nfs/dbraw/zinc/41/58/45/784415845.db2.gz SRAWYMZUZVNCHQ-GJZGRUSLSA-N 2 2 344.419 0.994 20 30 ECEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C[NH+](C)C)on1)C[C@@H](C)O2 ZINC001071183265 784682256 /nfs/dbraw/zinc/68/22/56/784682256.db2.gz LSVGVLHRHARACM-KDOFPFPSSA-N 2 2 346.431 0.675 20 30 ECEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(C[NH+](C)C)on1)C[C@@H](C)O2 ZINC001071183265 784682262 /nfs/dbraw/zinc/68/22/62/784682262.db2.gz LSVGVLHRHARACM-KDOFPFPSSA-N 2 2 346.431 0.675 20 30 ECEDLP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071195145 784712639 /nfs/dbraw/zinc/71/26/39/784712639.db2.gz SIZBPUNBGJQWMH-AEFFLSMTSA-N 2 2 330.432 0.988 20 30 ECEDLP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071195145 784712644 /nfs/dbraw/zinc/71/26/44/784712644.db2.gz SIZBPUNBGJQWMH-AEFFLSMTSA-N 2 2 330.432 0.988 20 30 ECEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073746012 787111374 /nfs/dbraw/zinc/11/13/74/787111374.db2.gz MQNUBJSJZYGAFP-DOTOQJQBSA-N 2 2 330.432 0.594 20 30 ECEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001073746012 787111382 /nfs/dbraw/zinc/11/13/82/787111382.db2.gz MQNUBJSJZYGAFP-DOTOQJQBSA-N 2 2 330.432 0.594 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C)C1=O ZINC001075040263 788783892 /nfs/dbraw/zinc/78/38/92/788783892.db2.gz XXZIXTPVQMFVRE-BPUTZDHNSA-N 2 2 345.447 0.329 20 30 ECEDLP C#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945664 790223928 /nfs/dbraw/zinc/22/39/28/790223928.db2.gz SSFPYUKPVWIJSI-ZACQAIPSSA-N 2 2 344.463 0.516 20 30 ECEDLP C#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945664 790223933 /nfs/dbraw/zinc/22/39/33/790223933.db2.gz SSFPYUKPVWIJSI-ZACQAIPSSA-N 2 2 344.463 0.516 20 30 ECEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945664 790223938 /nfs/dbraw/zinc/22/39/38/790223938.db2.gz SSFPYUKPVWIJSI-ZACQAIPSSA-N 2 2 344.463 0.516 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945664 790223943 /nfs/dbraw/zinc/22/39/43/790223943.db2.gz SSFPYUKPVWIJSI-ZACQAIPSSA-N 2 2 344.463 0.516 20 30 ECEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267575950 837827217 /nfs/dbraw/zinc/82/72/17/837827217.db2.gz OJBATJBNXXGXBT-IAGOWNOFSA-N 2 2 333.480 0.603 20 30 ECEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267575950 837827224 /nfs/dbraw/zinc/82/72/24/837827224.db2.gz OJBATJBNXXGXBT-IAGOWNOFSA-N 2 2 333.480 0.603 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](Cc2cncn2C)C2CC2)CC1 ZINC001266622112 836058670 /nfs/dbraw/zinc/05/86/70/836058670.db2.gz QGSSUVIVNZDXIV-UHFFFAOYSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](Cc2cncn2C)C2CC2)CC1 ZINC001266622112 836058681 /nfs/dbraw/zinc/05/86/81/836058681.db2.gz QGSSUVIVNZDXIV-UHFFFAOYSA-N 2 2 343.475 0.846 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266820859 836346290 /nfs/dbraw/zinc/34/62/90/836346290.db2.gz SFPSHGTWTDCOJW-HUUCEWRRSA-N 2 2 347.463 0.780 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](CCNC(=O)Cn2c[nH+]cc2C)C2CC2)C1=O ZINC001267329738 837211427 /nfs/dbraw/zinc/21/14/27/837211427.db2.gz PWRQPUXKSSPSBS-MRXNPFEDSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](CCNC(=O)Cn2c[nH+]cc2C)C2CC2)C1=O ZINC001267329738 837211437 /nfs/dbraw/zinc/21/14/37/837211437.db2.gz PWRQPUXKSSPSBS-MRXNPFEDSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268071180 839266732 /nfs/dbraw/zinc/26/67/32/839266732.db2.gz MFEAMQZNWZMNPQ-KBPBESRZSA-N 2 2 333.436 0.184 20 30 ECEDLP C[C@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cc(C#N)n(C)c1 ZINC000375960585 267231376 /nfs/dbraw/zinc/23/13/76/267231376.db2.gz JJIJIOFCEKAAMC-MAUKXSAKSA-N 2 2 331.464 0.733 20 30 ECEDLP C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cc(C#N)n(C)c1 ZINC000375960585 267231378 /nfs/dbraw/zinc/23/13/78/267231378.db2.gz JJIJIOFCEKAAMC-MAUKXSAKSA-N 2 2 331.464 0.733 20 30 ECEDLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000375960585 267231380 /nfs/dbraw/zinc/23/13/80/267231380.db2.gz JJIJIOFCEKAAMC-MAUKXSAKSA-N 2 2 331.464 0.733 20 30 ECEDLP C[C@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000375960585 267231384 /nfs/dbraw/zinc/23/13/84/267231384.db2.gz JJIJIOFCEKAAMC-MAUKXSAKSA-N 2 2 331.464 0.733 20 30 ECEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC(C(N)=O)=NO3)CC2)cc1 ZINC000372773012 268065173 /nfs/dbraw/zinc/06/51/73/268065173.db2.gz PFLQQFDPRRFKII-MRXNPFEDSA-N 2 2 341.415 0.742 20 30 ECEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091589463 436454876 /nfs/dbraw/zinc/45/48/76/436454876.db2.gz ZWCWXKHBQNYXGF-MSOLQXFVSA-N 2 2 349.523 0.952 20 30 ECEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091589463 436454878 /nfs/dbraw/zinc/45/48/78/436454878.db2.gz ZWCWXKHBQNYXGF-MSOLQXFVSA-N 2 2 349.523 0.952 20 30 ECEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091589463 436454882 /nfs/dbraw/zinc/45/48/82/436454882.db2.gz ZWCWXKHBQNYXGF-MSOLQXFVSA-N 2 2 349.523 0.952 20 30 ECEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000091589463 436454885 /nfs/dbraw/zinc/45/48/85/436454885.db2.gz ZWCWXKHBQNYXGF-MSOLQXFVSA-N 2 2 349.523 0.952 20 30 ECEDLP CN(CCC#N)C(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000092806491 436477120 /nfs/dbraw/zinc/47/71/20/436477120.db2.gz ILWWCJPEKINPFV-OAHLLOKOSA-N 2 2 335.452 0.163 20 30 ECEDLP CN(CCC#N)C(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000092806491 436477122 /nfs/dbraw/zinc/47/71/22/436477122.db2.gz ILWWCJPEKINPFV-OAHLLOKOSA-N 2 2 335.452 0.163 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000057155672 436606754 /nfs/dbraw/zinc/60/67/54/436606754.db2.gz JFFAPHYOKHVAEI-UHFFFAOYSA-N 2 2 342.443 0.880 20 30 ECEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000245919050 436770195 /nfs/dbraw/zinc/77/01/95/436770195.db2.gz LVTNBBMNHFDFEC-FUHWJXTLSA-N 2 2 333.480 0.507 20 30 ECEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000245919050 436770197 /nfs/dbraw/zinc/77/01/97/436770197.db2.gz LVTNBBMNHFDFEC-FUHWJXTLSA-N 2 2 333.480 0.507 20 30 ECEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000246224832 436775670 /nfs/dbraw/zinc/77/56/70/436775670.db2.gz ZWCWXKHBQNYXGF-ZWKOTPCHSA-N 2 2 349.523 0.952 20 30 ECEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000246224832 436775672 /nfs/dbraw/zinc/77/56/72/436775672.db2.gz ZWCWXKHBQNYXGF-ZWKOTPCHSA-N 2 2 349.523 0.952 20 30 ECEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000246224832 436775675 /nfs/dbraw/zinc/77/56/75/436775675.db2.gz ZWCWXKHBQNYXGF-ZWKOTPCHSA-N 2 2 349.523 0.952 20 30 ECEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 ZINC000246224832 436775678 /nfs/dbraw/zinc/77/56/78/436775678.db2.gz ZWCWXKHBQNYXGF-ZWKOTPCHSA-N 2 2 349.523 0.952 20 30 ECEDLP C[C@@H]1CCN(C(NCC(=O)N(C)C)=[NH+]C2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000262290537 436922572 /nfs/dbraw/zinc/92/25/72/436922572.db2.gz LCFXQSBKNFMKPL-HIFRSBDPSA-N 2 2 332.452 0.962 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC[C@](C)(O)c1cccs1 ZINC000261842477 436893171 /nfs/dbraw/zinc/89/31/71/436893171.db2.gz WKYNYJSZIHBJRB-DOMZBBRYSA-N 2 2 326.466 0.451 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC[C@](C)(O)c1cccs1 ZINC000261842477 436893173 /nfs/dbraw/zinc/89/31/73/436893173.db2.gz WKYNYJSZIHBJRB-DOMZBBRYSA-N 2 2 326.466 0.451 20 30 ECEDLP [NH2+]=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCOCC1 ZINC000264090115 437016938 /nfs/dbraw/zinc/01/69/38/437016938.db2.gz KUGYRGXUAARIFH-UHFFFAOYSA-N 2 2 348.447 0.545 20 30 ECEDLP C#CCC[NH+]1CCN(c2nc(NCCO)[nH+]c(NC(C)C)n2)CC1 ZINC000286039653 437086760 /nfs/dbraw/zinc/08/67/60/437086760.db2.gz AHLJDYRELYOGHI-UHFFFAOYSA-N 2 2 333.440 0.241 20 30 ECEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)[C@@H](C)C1 ZINC000329306719 437349375 /nfs/dbraw/zinc/34/93/75/437349375.db2.gz YVKYPMWFZSFFDH-KBPBESRZSA-N 2 2 330.498 0.336 20 30 ECEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NCC[NH+]2CCSCC2)[C@@H](C)C1 ZINC000329306719 437349381 /nfs/dbraw/zinc/34/93/81/437349381.db2.gz YVKYPMWFZSFFDH-KBPBESRZSA-N 2 2 330.498 0.336 20 30 ECEDLP CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000329873826 437423833 /nfs/dbraw/zinc/42/38/33/437423833.db2.gz FDPDYLMRIBXUAB-RDBSUJKOSA-N 2 2 342.440 0.339 20 30 ECEDLP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000329873826 437423837 /nfs/dbraw/zinc/42/38/37/437423837.db2.gz FDPDYLMRIBXUAB-RDBSUJKOSA-N 2 2 342.440 0.339 20 30 ECEDLP CC[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000329873826 437423839 /nfs/dbraw/zinc/42/38/39/437423839.db2.gz FDPDYLMRIBXUAB-RDBSUJKOSA-N 2 2 342.440 0.339 20 30 ECEDLP CC[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000329873826 437423844 /nfs/dbraw/zinc/42/38/44/437423844.db2.gz FDPDYLMRIBXUAB-RDBSUJKOSA-N 2 2 342.440 0.339 20 30 ECEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000329910779 437429201 /nfs/dbraw/zinc/42/92/01/437429201.db2.gz NMSHZIJYPHCJSM-UHFFFAOYSA-N 3 2 334.468 0.983 20 30 ECEDLP C[NH2+]C(C)(C)CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000330877905 437639512 /nfs/dbraw/zinc/63/95/12/437639512.db2.gz GUMJWNZHFWAXMW-UHFFFAOYSA-N 2 2 348.451 0.793 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000360973023 437652876 /nfs/dbraw/zinc/65/28/76/437652876.db2.gz RGILJFGCOPTTPU-IRXDYDNUSA-N 2 2 335.496 0.706 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000360973023 437652880 /nfs/dbraw/zinc/65/28/80/437652880.db2.gz RGILJFGCOPTTPU-IRXDYDNUSA-N 2 2 335.496 0.706 20 30 ECEDLP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000361525962 437668896 /nfs/dbraw/zinc/66/88/96/437668896.db2.gz OMLQSQKVDOQMTA-CQSZACIVSA-N 2 2 331.420 0.973 20 30 ECEDLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000331254618 437727404 /nfs/dbraw/zinc/72/74/04/437727404.db2.gz XJGRKSUXPDDTMQ-ZDUSSCGKSA-N 2 2 327.429 0.162 20 30 ECEDLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000331254618 437727407 /nfs/dbraw/zinc/72/74/07/437727407.db2.gz XJGRKSUXPDDTMQ-ZDUSSCGKSA-N 2 2 327.429 0.162 20 30 ECEDLP C[C@@]1(C(N)=O)CCCC[NH+]1CC#CC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000367464997 438212870 /nfs/dbraw/zinc/21/28/70/438212870.db2.gz XCUYRJFRJQDHSV-ROUUACIJSA-N 2 2 334.464 0.450 20 30 ECEDLP C[C@@]1(C(N)=O)CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000367464997 438212875 /nfs/dbraw/zinc/21/28/75/438212875.db2.gz XCUYRJFRJQDHSV-ROUUACIJSA-N 2 2 334.464 0.450 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000352241357 438402007 /nfs/dbraw/zinc/40/20/07/438402007.db2.gz KUEVYPRGRCPFAP-UHFFFAOYSA-N 2 2 344.463 0.865 20 30 ECEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000369271191 438447021 /nfs/dbraw/zinc/44/70/21/438447021.db2.gz PBSUKPCGDMXEAL-UHFFFAOYSA-N 2 2 339.480 0.570 20 30 ECEDLP Cc1cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c(C#N)c[nH+]1 ZINC000603423945 439259242 /nfs/dbraw/zinc/25/92/42/439259242.db2.gz RQLXHWUNQFMKPM-KRWDZBQOSA-N 2 2 329.448 0.892 20 30 ECEDLP Cc1cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(C#N)c[nH+]1 ZINC000603423945 439259249 /nfs/dbraw/zinc/25/92/49/439259249.db2.gz RQLXHWUNQFMKPM-KRWDZBQOSA-N 2 2 329.448 0.892 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)CC1 ZINC000490950893 439317990 /nfs/dbraw/zinc/31/79/90/439317990.db2.gz UWEFQHHRLONGEY-INIZCTEOSA-N 2 2 335.448 0.239 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)CC1 ZINC000490950893 439317995 /nfs/dbraw/zinc/31/79/95/439317995.db2.gz UWEFQHHRLONGEY-INIZCTEOSA-N 2 2 335.448 0.239 20 30 ECEDLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1=O ZINC000598724112 439307207 /nfs/dbraw/zinc/30/72/07/439307207.db2.gz MOGOWKLNJWBQEF-KBPBESRZSA-N 2 2 333.436 0.801 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)Cc3ncccn3)C2)CC1 ZINC000491274694 439361452 /nfs/dbraw/zinc/36/14/52/439361452.db2.gz AJGVSFNKUNIJSI-KRWDZBQOSA-N 2 2 341.459 0.855 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncccn3)C2)CC1 ZINC000491274694 439361457 /nfs/dbraw/zinc/36/14/57/439361457.db2.gz AJGVSFNKUNIJSI-KRWDZBQOSA-N 2 2 341.459 0.855 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491673334 439424513 /nfs/dbraw/zinc/42/45/13/439424513.db2.gz IJMXGALIGYKCBD-DZGCQCFKSA-N 2 2 347.381 0.399 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491673334 439424515 /nfs/dbraw/zinc/42/45/15/439424515.db2.gz IJMXGALIGYKCBD-DZGCQCFKSA-N 2 2 347.381 0.399 20 30 ECEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599333911 439437933 /nfs/dbraw/zinc/43/79/33/439437933.db2.gz BQYWOTSSFMVNBS-HNNXBMFYSA-N 2 2 333.436 0.613 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCc3cccc(OC)c3CC2)CC1 ZINC000491738484 439438834 /nfs/dbraw/zinc/43/88/34/439438834.db2.gz FQLYTYALQZVECV-UHFFFAOYSA-N 2 2 341.455 0.873 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCc3cccc(OC)c3CC2)CC1 ZINC000491738484 439438837 /nfs/dbraw/zinc/43/88/37/439438837.db2.gz FQLYTYALQZVECV-UHFFFAOYSA-N 2 2 341.455 0.873 20 30 ECEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000594803504 439615890 /nfs/dbraw/zinc/61/58/90/439615890.db2.gz PQWJZRLWOLPTHX-KBPBESRZSA-N 2 2 333.502 0.327 20 30 ECEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000594803504 439615893 /nfs/dbraw/zinc/61/58/93/439615893.db2.gz PQWJZRLWOLPTHX-KBPBESRZSA-N 2 2 333.502 0.327 20 30 ECEDLP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCN(CCC#N)CC1)c1ccccc1 ZINC000613860078 439764876 /nfs/dbraw/zinc/76/48/76/439764876.db2.gz PVMWLUZXQMOGLY-GOSISDBHSA-N 2 2 343.475 0.937 20 30 ECEDLP C=CC[C@@]1(C(=O)N2CC[NH+](CCOCCOC)CC2)CCC[NH2+]1 ZINC000662834486 439909901 /nfs/dbraw/zinc/90/99/01/439909901.db2.gz VPDNVZHZDOKTIH-KRWDZBQOSA-N 2 2 325.453 0.492 20 30 ECEDLP CC#CC[C@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000645229310 440766758 /nfs/dbraw/zinc/76/67/58/440766758.db2.gz YFTSRCAECHEGFG-MRXNPFEDSA-N 2 2 336.480 0.619 20 30 ECEDLP C[N@@H+]1CCO[C@@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000329131032 546015717 /nfs/dbraw/zinc/01/57/17/546015717.db2.gz XNWSYUHWRTUUTD-HNNXBMFYSA-N 2 2 340.468 0.466 20 30 ECEDLP C[N@H+]1CCO[C@@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000329131032 546015719 /nfs/dbraw/zinc/01/57/19/546015719.db2.gz XNWSYUHWRTUUTD-HNNXBMFYSA-N 2 2 340.468 0.466 20 30 ECEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000329346799 546021454 /nfs/dbraw/zinc/02/14/54/546021454.db2.gz DCBQFZURPGGIBI-HNNXBMFYSA-N 2 2 334.468 0.511 20 30 ECEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000329346799 546021458 /nfs/dbraw/zinc/02/14/58/546021458.db2.gz DCBQFZURPGGIBI-HNNXBMFYSA-N 2 2 334.468 0.511 20 30 ECEDLP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000329396335 546022126 /nfs/dbraw/zinc/02/21/26/546022126.db2.gz XLTRLKRRHSLCEM-INIZCTEOSA-N 2 2 325.501 0.856 20 30 ECEDLP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000329396335 546022130 /nfs/dbraw/zinc/02/21/30/546022130.db2.gz XLTRLKRRHSLCEM-INIZCTEOSA-N 2 2 325.501 0.856 20 30 ECEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000329484070 546025294 /nfs/dbraw/zinc/02/52/94/546025294.db2.gz QHKKMGCRRBDSKA-MRXNPFEDSA-N 2 2 346.479 0.931 20 30 ECEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000329484070 546025299 /nfs/dbraw/zinc/02/52/99/546025299.db2.gz QHKKMGCRRBDSKA-MRXNPFEDSA-N 2 2 346.479 0.931 20 30 ECEDLP C#CCNC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000727931129 578286286 /nfs/dbraw/zinc/28/62/86/578286286.db2.gz JAYKEHLAUCSRGO-IBGZPJMESA-N 2 2 343.471 0.941 20 30 ECEDLP C#CCNC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000727931129 578286287 /nfs/dbraw/zinc/28/62/87/578286287.db2.gz JAYKEHLAUCSRGO-IBGZPJMESA-N 2 2 343.471 0.941 20 30 ECEDLP C[C@H]1CN(C(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC000747839009 579855141 /nfs/dbraw/zinc/85/51/41/579855141.db2.gz VSTVMUYEQFFHMI-ZDUSSCGKSA-N 2 2 334.420 0.632 20 30 ECEDLP CN(C(=O)C#CC1CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000837400211 588950779 /nfs/dbraw/zinc/95/07/79/588950779.db2.gz PAGJNHUXXIUWDL-UHFFFAOYSA-N 2 2 346.475 0.097 20 30 ECEDLP C=CC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000843076081 589049678 /nfs/dbraw/zinc/04/96/78/589049678.db2.gz DUKQHHMIDMOHQX-AEFFLSMTSA-N 2 2 349.475 0.705 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000901057745 586688656 /nfs/dbraw/zinc/68/86/56/586688656.db2.gz NJOSXDKWDKZQHP-INIZCTEOSA-N 2 2 325.453 0.444 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]cc(Br)n2C1 ZINC000901727678 586714349 /nfs/dbraw/zinc/71/43/49/586714349.db2.gz HUZIETBQHZOSFC-NXEZZACHSA-N 2 2 325.210 0.688 20 30 ECEDLP C=CCN1CCN(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000840036165 587082429 /nfs/dbraw/zinc/08/24/29/587082429.db2.gz QAAQXRFMQZMQCE-DLBZAZTESA-N 2 2 335.496 0.825 20 30 ECEDLP C=CCN1CCN(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000840036165 587082431 /nfs/dbraw/zinc/08/24/31/587082431.db2.gz QAAQXRFMQZMQCE-DLBZAZTESA-N 2 2 335.496 0.825 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)CC1 ZINC000830526406 588374678 /nfs/dbraw/zinc/37/46/78/588374678.db2.gz MTKIATVUTQIWGB-GOSISDBHSA-N 2 2 333.476 0.707 20 30 ECEDLP C[NH+]=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CC1 ZINC000849029353 589318673 /nfs/dbraw/zinc/31/86/73/589318673.db2.gz RPJMMIGQPSKEJQ-UHFFFAOYSA-N 2 2 330.436 0.448 20 30 ECEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879597199 590326743 /nfs/dbraw/zinc/32/67/43/590326743.db2.gz YNBKSBNWIXAJMS-OAHLLOKOSA-N 2 2 333.480 0.649 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000876715196 590402098 /nfs/dbraw/zinc/40/20/98/590402098.db2.gz KZGGHIDOKCMZRV-GFCCVEGCSA-N 2 2 349.826 0.482 20 30 ECEDLP C[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000877965508 590489336 /nfs/dbraw/zinc/48/93/36/590489336.db2.gz ILGGALXKAZOINB-UHFFFAOYSA-N 2 2 342.447 0.286 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000884177367 590764281 /nfs/dbraw/zinc/76/42/81/590764281.db2.gz HSRFVGCIYJUKDJ-NWDGAFQWSA-N 2 2 325.434 0.914 20 30 ECEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C2 ZINC000884197531 590770431 /nfs/dbraw/zinc/77/04/31/590770431.db2.gz WKEJPXQDSNGYGU-BNQMIIOLSA-N 2 2 332.448 0.449 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000884404962 590820813 /nfs/dbraw/zinc/82/08/13/590820813.db2.gz CJAPHAPGMRWXKR-OWCLPIDISA-N 2 2 349.406 0.834 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000890367840 591152858 /nfs/dbraw/zinc/15/28/58/591152858.db2.gz VSIMSIPDARIZNL-MRXNPFEDSA-N 2 2 342.447 0.714 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000890367840 591152859 /nfs/dbraw/zinc/15/28/59/591152859.db2.gz VSIMSIPDARIZNL-MRXNPFEDSA-N 2 2 342.447 0.714 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000890367839 591153614 /nfs/dbraw/zinc/15/36/14/591153614.db2.gz VSIMSIPDARIZNL-INIZCTEOSA-N 2 2 342.447 0.714 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)C1 ZINC000890367839 591153616 /nfs/dbraw/zinc/15/36/16/591153616.db2.gz VSIMSIPDARIZNL-INIZCTEOSA-N 2 2 342.447 0.714 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000890373208 591154590 /nfs/dbraw/zinc/15/45/90/591154590.db2.gz RGIBKLSTGORNTG-BBWFWOEESA-N 2 2 334.464 0.325 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000890373208 591154594 /nfs/dbraw/zinc/15/45/94/591154594.db2.gz RGIBKLSTGORNTG-BBWFWOEESA-N 2 2 334.464 0.325 20 30 ECEDLP C#CC[C@@H]1NC(=O)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000925332806 611470753 /nfs/dbraw/zinc/47/07/53/611470753.db2.gz XPRRINFZIQQANO-HNNXBMFYSA-N 2 2 332.448 0.880 20 30 ECEDLP CCOC(=O)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C(=O)OCC)C2)C1 ZINC000932640909 611647102 /nfs/dbraw/zinc/64/71/02/611647102.db2.gz DIHKGIPZNLKFRX-IYBDPMFKSA-N 2 2 336.432 0.760 20 30 ECEDLP CCOC(=O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(=O)OCC)C2)C1 ZINC000932640909 611647104 /nfs/dbraw/zinc/64/71/04/611647104.db2.gz DIHKGIPZNLKFRX-IYBDPMFKSA-N 2 2 336.432 0.760 20 30 ECEDLP CCOC(=O)[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C(=O)OCC)C2)C1 ZINC000932640909 611647106 /nfs/dbraw/zinc/64/71/06/611647106.db2.gz DIHKGIPZNLKFRX-IYBDPMFKSA-N 2 2 336.432 0.760 20 30 ECEDLP CCOC(=O)[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C(=O)OCC)C2)C1 ZINC000932640909 611647108 /nfs/dbraw/zinc/64/71/08/611647108.db2.gz DIHKGIPZNLKFRX-IYBDPMFKSA-N 2 2 336.432 0.760 20 30 ECEDLP C=CC[NH+]1CC(N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)C1 ZINC000941640996 610434956 /nfs/dbraw/zinc/43/49/56/610434956.db2.gz NLAQIMIXPHOBBB-UHFFFAOYSA-N 2 2 329.448 0.776 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677927 610450824 /nfs/dbraw/zinc/45/08/24/610450824.db2.gz YRIDLMBZTQDCPB-CALCHBBNSA-N 2 2 332.492 0.711 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677927 610450826 /nfs/dbraw/zinc/45/08/26/610450826.db2.gz YRIDLMBZTQDCPB-CALCHBBNSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnon3)C[C@H]2C)CC1 ZINC000945180094 610934366 /nfs/dbraw/zinc/93/43/66/610934366.db2.gz KGIUDHPYQWKXRT-RHSMWYFYSA-N 2 2 345.447 0.741 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnon3)C[C@H]2C)CC1 ZINC000945180094 610934369 /nfs/dbraw/zinc/93/43/69/610934369.db2.gz KGIUDHPYQWKXRT-RHSMWYFYSA-N 2 2 345.447 0.741 20 30 ECEDLP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923334425 611230595 /nfs/dbraw/zinc/23/05/95/611230595.db2.gz XDVOFTXURHWKOV-IRXDYDNUSA-N 2 2 328.416 0.488 20 30 ECEDLP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000923334425 611230598 /nfs/dbraw/zinc/23/05/98/611230598.db2.gz XDVOFTXURHWKOV-IRXDYDNUSA-N 2 2 328.416 0.488 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)CCc1[nH+]ccn1C)CCO2 ZINC000949150987 611877658 /nfs/dbraw/zinc/87/76/58/611877658.db2.gz FFOVOFJIVQUXTH-UHFFFAOYSA-N 2 2 330.432 0.679 20 30 ECEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083194097 732654114 /nfs/dbraw/zinc/65/41/14/732654114.db2.gz WAJIGGWVKREQJS-RYQLBKOJSA-N 2 2 342.443 0.689 20 30 ECEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083194097 732654115 /nfs/dbraw/zinc/65/41/15/732654115.db2.gz WAJIGGWVKREQJS-RYQLBKOJSA-N 2 2 342.443 0.689 20 30 ECEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971272700 734415115 /nfs/dbraw/zinc/41/51/15/734415115.db2.gz YOEOLNJANZUDAI-MSOLQXFVSA-N 2 2 342.443 0.922 20 30 ECEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971272700 734415117 /nfs/dbraw/zinc/41/51/17/734415117.db2.gz YOEOLNJANZUDAI-MSOLQXFVSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971272700 734415119 /nfs/dbraw/zinc/41/51/19/734415119.db2.gz YOEOLNJANZUDAI-MSOLQXFVSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971272700 734415120 /nfs/dbraw/zinc/41/51/20/734415120.db2.gz YOEOLNJANZUDAI-MSOLQXFVSA-N 2 2 342.443 0.922 20 30 ECEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565233 736268648 /nfs/dbraw/zinc/26/86/48/736268648.db2.gz SCXKOJDHTDSFEY-IPMKNSEASA-N 2 2 341.455 0.925 20 30 ECEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1 ZINC001211565233 736268652 /nfs/dbraw/zinc/26/86/52/736268652.db2.gz SCXKOJDHTDSFEY-IPMKNSEASA-N 2 2 341.455 0.925 20 30 ECEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000972479818 736301383 /nfs/dbraw/zinc/30/13/83/736301383.db2.gz CWNSWSWPLZHOFZ-HKUYNNGSSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000972479818 736301387 /nfs/dbraw/zinc/30/13/87/736301387.db2.gz CWNSWSWPLZHOFZ-HKUYNNGSSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972517016 736527434 /nfs/dbraw/zinc/52/74/34/736527434.db2.gz CDGUEAYBXADWJK-PKOBYXMFSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972517016 736527436 /nfs/dbraw/zinc/52/74/36/736527436.db2.gz CDGUEAYBXADWJK-PKOBYXMFSA-N 2 2 349.475 0.422 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972679383 737363098 /nfs/dbraw/zinc/36/30/98/737363098.db2.gz YRZRRISOYPUAPO-IEBWSBKVSA-N 2 2 349.475 0.281 20 30 ECEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972679383 737363103 /nfs/dbraw/zinc/36/31/03/737363103.db2.gz YRZRRISOYPUAPO-IEBWSBKVSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682070 737369954 /nfs/dbraw/zinc/36/99/54/737369954.db2.gz CHROSGKDMRMGEL-SJLPKXTDSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682070 737369961 /nfs/dbraw/zinc/36/99/61/737369961.db2.gz CHROSGKDMRMGEL-SJLPKXTDSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682070 737369966 /nfs/dbraw/zinc/36/99/66/737369966.db2.gz CHROSGKDMRMGEL-SJLPKXTDSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682070 737369971 /nfs/dbraw/zinc/36/99/71/737369971.db2.gz CHROSGKDMRMGEL-SJLPKXTDSA-N 2 2 335.448 0.034 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001024217385 737825016 /nfs/dbraw/zinc/82/50/16/737825016.db2.gz YGCLCOPYSNVIMB-HUUCEWRRSA-N 2 2 345.447 0.567 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070007806 790310191 /nfs/dbraw/zinc/31/01/91/790310191.db2.gz AYGANAVZPLRWHI-NXOAAHMSSA-N 2 2 344.463 0.373 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070007806 790310195 /nfs/dbraw/zinc/31/01/95/790310195.db2.gz AYGANAVZPLRWHI-NXOAAHMSSA-N 2 2 344.463 0.373 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070007806 790310200 /nfs/dbraw/zinc/31/02/00/790310200.db2.gz AYGANAVZPLRWHI-NXOAAHMSSA-N 2 2 344.463 0.373 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070007806 790310205 /nfs/dbraw/zinc/31/02/05/790310205.db2.gz AYGANAVZPLRWHI-NXOAAHMSSA-N 2 2 344.463 0.373 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)nn1 ZINC001105256566 741571348 /nfs/dbraw/zinc/57/13/48/741571348.db2.gz JLNFKBRHMDGYIK-INIZCTEOSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)nn1 ZINC001105256566 741571349 /nfs/dbraw/zinc/57/13/49/741571349.db2.gz JLNFKBRHMDGYIK-INIZCTEOSA-N 2 2 330.436 0.259 20 30 ECEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCO[C@H](COC)C1 ZINC000261943879 742942993 /nfs/dbraw/zinc/94/29/93/742942993.db2.gz NBCHKGFQNMBIKW-HNNXBMFYSA-N 2 2 335.452 0.685 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1=O ZINC000998119537 743988095 /nfs/dbraw/zinc/98/80/95/743988095.db2.gz MLDZKONCFHOUQO-MRXNPFEDSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC000998184709 744036251 /nfs/dbraw/zinc/03/62/51/744036251.db2.gz WTOSGPXNWKDBDY-OAHLLOKOSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@@H](C)C(N)=O)C[C@]2(C)C1 ZINC000982298358 751909058 /nfs/dbraw/zinc/90/90/58/751909058.db2.gz BYSZEIDJQGMKNN-STEAMIEHSA-N 2 2 346.475 0.128 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@@H](C)C(N)=O)C[C@]2(C)C1 ZINC000982298358 751909065 /nfs/dbraw/zinc/90/90/65/751909065.db2.gz BYSZEIDJQGMKNN-STEAMIEHSA-N 2 2 346.475 0.128 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+]([C@@H](C)C(N)=O)C[C@]2(C)C1 ZINC000982298358 751909072 /nfs/dbraw/zinc/90/90/72/751909072.db2.gz BYSZEIDJQGMKNN-STEAMIEHSA-N 2 2 346.475 0.128 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+]([C@@H](C)C(N)=O)C[C@]2(C)C1 ZINC000982298358 751909077 /nfs/dbraw/zinc/90/90/77/751909077.db2.gz BYSZEIDJQGMKNN-STEAMIEHSA-N 2 2 346.475 0.128 20 30 ECEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000999161152 744542389 /nfs/dbraw/zinc/54/23/89/744542389.db2.gz NJKMMSKOBHYQIM-BACDZXNISA-N 2 2 337.464 0.631 20 30 ECEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000999768881 744892951 /nfs/dbraw/zinc/89/29/51/744892951.db2.gz BQRKGXZOBICSHF-ZACQAIPSSA-N 2 2 335.448 0.080 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167979204 744971723 /nfs/dbraw/zinc/97/17/23/744971723.db2.gz RJLBXVAMBBZGHV-HNNXBMFYSA-N 2 2 347.463 0.885 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167979204 744971727 /nfs/dbraw/zinc/97/17/27/744971727.db2.gz RJLBXVAMBBZGHV-HNNXBMFYSA-N 2 2 347.463 0.885 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CC)C2)nn1 ZINC000999996184 745156059 /nfs/dbraw/zinc/15/60/59/745156059.db2.gz IRTPGEZXBUJBJM-HOTGVXAUSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CC)C2)nn1 ZINC000999996184 745156064 /nfs/dbraw/zinc/15/60/64/745156064.db2.gz IRTPGEZXBUJBJM-HOTGVXAUSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CC)C2)nn1 ZINC000999996184 745156068 /nfs/dbraw/zinc/15/60/68/745156068.db2.gz IRTPGEZXBUJBJM-HOTGVXAUSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CC)C2)nn1 ZINC000999996184 745156071 /nfs/dbraw/zinc/15/60/71/745156071.db2.gz IRTPGEZXBUJBJM-HOTGVXAUSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC(=O)N2CCC2)CC1 ZINC001000792402 745770686 /nfs/dbraw/zinc/77/06/86/745770686.db2.gz YIPXDZVCYKMJTF-KRWDZBQOSA-N 2 2 344.459 0.065 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(=O)N2CCC2)CC1 ZINC001000792402 745770688 /nfs/dbraw/zinc/77/06/88/745770688.db2.gz YIPXDZVCYKMJTF-KRWDZBQOSA-N 2 2 344.459 0.065 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC(=O)N2CCC2)CC1 ZINC001000792402 745770690 /nfs/dbraw/zinc/77/06/90/745770690.db2.gz YIPXDZVCYKMJTF-KRWDZBQOSA-N 2 2 344.459 0.065 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC(=O)N2CCC2)CC1 ZINC001000792402 745770693 /nfs/dbraw/zinc/77/06/93/745770693.db2.gz YIPXDZVCYKMJTF-KRWDZBQOSA-N 2 2 344.459 0.065 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001027595247 746030365 /nfs/dbraw/zinc/03/03/65/746030365.db2.gz WZEWPWZYPXKRKL-HOTGVXAUSA-N 2 2 345.447 0.662 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001027595247 746030372 /nfs/dbraw/zinc/03/03/72/746030372.db2.gz WZEWPWZYPXKRKL-HOTGVXAUSA-N 2 2 345.447 0.662 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)CCCCCC)C2)nn1 ZINC001105344225 748289484 /nfs/dbraw/zinc/28/94/84/748289484.db2.gz TZMCNTVPODEMOQ-UHFFFAOYSA-N 2 2 346.479 0.896 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)CCCCCC)C2)nn1 ZINC001105344225 748289491 /nfs/dbraw/zinc/28/94/91/748289491.db2.gz TZMCNTVPODEMOQ-UHFFFAOYSA-N 2 2 346.479 0.896 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC000980268405 749278362 /nfs/dbraw/zinc/27/83/62/749278362.db2.gz GRZGUTIVVRHNAQ-GDBMZVCRSA-N 2 2 345.447 0.580 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC000980268405 749278366 /nfs/dbraw/zinc/27/83/66/749278366.db2.gz GRZGUTIVVRHNAQ-GDBMZVCRSA-N 2 2 345.447 0.580 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cnns3)CC2)CC1 ZINC001004201263 749307402 /nfs/dbraw/zinc/30/74/02/749307402.db2.gz LHNIFCXDZRSDKP-UHFFFAOYSA-N 2 2 347.488 0.964 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001029914106 749586403 /nfs/dbraw/zinc/58/64/03/749586403.db2.gz QWPALEQHKCSBNJ-JKSUJKDBSA-N 2 2 345.447 0.450 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnsn3)[C@@H]2C)CC1 ZINC000987571102 750972980 /nfs/dbraw/zinc/97/29/80/750972980.db2.gz OIJPGOXXZALRBQ-XJKSGUPXSA-N 2 2 347.488 0.962 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC001020980642 752395997 /nfs/dbraw/zinc/39/59/97/752395997.db2.gz OYUCDHHCCJVDJE-IHRRRGAJSA-N 2 2 331.420 0.284 20 30 ECEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083368818 753705244 /nfs/dbraw/zinc/70/52/44/753705244.db2.gz XQHNDVYOWPHBLU-ZACQAIPSSA-N 2 2 328.416 0.314 20 30 ECEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083368818 753705250 /nfs/dbraw/zinc/70/52/50/753705250.db2.gz XQHNDVYOWPHBLU-ZACQAIPSSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083368818 753705256 /nfs/dbraw/zinc/70/52/56/753705256.db2.gz XQHNDVYOWPHBLU-ZACQAIPSSA-N 2 2 328.416 0.314 20 30 ECEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083368818 753705259 /nfs/dbraw/zinc/70/52/59/753705259.db2.gz XQHNDVYOWPHBLU-ZACQAIPSSA-N 2 2 328.416 0.314 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)CCC[NH+]3CCCC3)C2)nn1 ZINC001105377223 754515309 /nfs/dbraw/zinc/51/53/09/754515309.db2.gz VFCSUDVLHBOOEQ-UHFFFAOYSA-N 2 2 330.436 0.260 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028709944 754785326 /nfs/dbraw/zinc/78/53/26/754785326.db2.gz QFOYXJOWIQEKMC-KSZLIROESA-N 2 2 349.475 0.328 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028709944 754785330 /nfs/dbraw/zinc/78/53/30/754785330.db2.gz QFOYXJOWIQEKMC-KSZLIROESA-N 2 2 349.475 0.328 20 30 ECEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001088763806 755598608 /nfs/dbraw/zinc/59/86/08/755598608.db2.gz AWANYOWOJFEEDZ-BDXSIMOUSA-N 2 2 349.475 0.469 20 30 ECEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)[C@H]1C ZINC001088763806 755598613 /nfs/dbraw/zinc/59/86/13/755598613.db2.gz AWANYOWOJFEEDZ-BDXSIMOUSA-N 2 2 349.475 0.469 20 30 ECEDLP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C(C)C)C[C@H]1O ZINC001105673787 755805786 /nfs/dbraw/zinc/80/57/86/755805786.db2.gz PCJIMKNGJMKXHT-PSBWJHGTSA-N 2 2 344.459 0.873 20 30 ECEDLP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)nn2)C1 ZINC001107149840 757053042 /nfs/dbraw/zinc/05/30/42/757053042.db2.gz SERNNRTXBCHWEH-INIZCTEOSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC001107149840 757053050 /nfs/dbraw/zinc/05/30/50/757053050.db2.gz SERNNRTXBCHWEH-INIZCTEOSA-N 2 2 348.451 0.048 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)CCC[NH+]3CCCC3)nn2)C1 ZINC001107238901 758033758 /nfs/dbraw/zinc/03/37/58/758033758.db2.gz WDFJGAILRQETTE-UHFFFAOYSA-N 2 2 344.463 0.650 20 30 ECEDLP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049222469 758368781 /nfs/dbraw/zinc/36/87/81/758368781.db2.gz IVDYRNUSTALRGA-QLFBSQMISA-N 2 2 327.856 0.850 20 30 ECEDLP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049222469 758368790 /nfs/dbraw/zinc/36/87/90/758368790.db2.gz IVDYRNUSTALRGA-QLFBSQMISA-N 2 2 327.856 0.850 20 30 ECEDLP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222469 758368801 /nfs/dbraw/zinc/36/88/01/758368801.db2.gz IVDYRNUSTALRGA-QLFBSQMISA-N 2 2 327.856 0.850 20 30 ECEDLP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222469 758368812 /nfs/dbraw/zinc/36/88/12/758368812.db2.gz IVDYRNUSTALRGA-QLFBSQMISA-N 2 2 327.856 0.850 20 30 ECEDLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047646610 759398981 /nfs/dbraw/zinc/39/89/81/759398981.db2.gz KKGQUSNOSKUSHB-IRXDYDNUSA-N 2 2 339.399 0.458 20 30 ECEDLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001047646610 759398994 /nfs/dbraw/zinc/39/89/94/759398994.db2.gz KKGQUSNOSKUSHB-IRXDYDNUSA-N 2 2 339.399 0.458 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001054296181 767904423 /nfs/dbraw/zinc/90/44/23/767904423.db2.gz LASVZKROHZLCMV-OAGGEKHMSA-N 2 2 344.463 0.554 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nncn2C)C1 ZINC001054296181 767904428 /nfs/dbraw/zinc/90/44/28/767904428.db2.gz LASVZKROHZLCMV-OAGGEKHMSA-N 2 2 344.463 0.554 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127298559 767965087 /nfs/dbraw/zinc/96/50/87/767965087.db2.gz ARWZQWLZHUMXSX-ZDUSSCGKSA-N 2 2 329.404 0.653 20 30 ECEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)c1 ZINC001051885204 763216182 /nfs/dbraw/zinc/21/61/82/763216182.db2.gz XTVAYPXFRNAOQF-MRXNPFEDSA-N 2 2 339.399 0.841 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001046895722 763327159 /nfs/dbraw/zinc/32/71/59/763327159.db2.gz ABOVJOSBLHNGOP-CRAIPNDOSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001052068659 763762689 /nfs/dbraw/zinc/76/26/89/763762689.db2.gz MBAUWIQWTDMABE-OALUTQOASA-N 2 2 346.519 0.960 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001052068659 763762694 /nfs/dbraw/zinc/76/26/94/763762694.db2.gz MBAUWIQWTDMABE-OALUTQOASA-N 2 2 346.519 0.960 20 30 ECEDLP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)[NH+]1CCCCCC1 ZINC001052094052 763839181 /nfs/dbraw/zinc/83/91/81/763839181.db2.gz WKBKEDOSAZVRCJ-QZTJIDSGSA-N 2 2 347.507 0.993 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001015090208 763861001 /nfs/dbraw/zinc/86/10/01/763861001.db2.gz PUOJOIQIRJTLCH-HZPDHXFCSA-N 2 2 346.475 0.592 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001015090208 763861010 /nfs/dbraw/zinc/86/10/10/763861010.db2.gz PUOJOIQIRJTLCH-HZPDHXFCSA-N 2 2 346.475 0.592 20 30 ECEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001015357503 764430966 /nfs/dbraw/zinc/43/09/66/764430966.db2.gz PKBMOIIRSOAFMJ-BBWFWOEESA-N 2 2 337.464 0.633 20 30 ECEDLP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001015357503 764430968 /nfs/dbraw/zinc/43/09/68/764430968.db2.gz PKBMOIIRSOAFMJ-BBWFWOEESA-N 2 2 337.464 0.633 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)C1=O ZINC001089038261 764853910 /nfs/dbraw/zinc/85/39/10/764853910.db2.gz LSMRRUNOHBTGLE-OWCLPIDISA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)C1=O ZINC001089038261 764853917 /nfs/dbraw/zinc/85/39/17/764853917.db2.gz LSMRRUNOHBTGLE-OWCLPIDISA-N 2 2 334.464 0.448 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C)n3)[C@@H]2C)CC1 ZINC001089059841 764916398 /nfs/dbraw/zinc/91/63/98/764916398.db2.gz DUZUGAUMZFUAMT-QAPCUYQASA-N 2 2 343.475 0.844 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039020 766740945 /nfs/dbraw/zinc/74/09/45/766740945.db2.gz MKQMAXSSNMNYNP-IRXDYDNUSA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039020 766740947 /nfs/dbraw/zinc/74/09/47/766740947.db2.gz MKQMAXSSNMNYNP-IRXDYDNUSA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC001046040218 766745612 /nfs/dbraw/zinc/74/56/12/766745612.db2.gz HCOXUHZLWKWIJQ-OAHLLOKOSA-N 2 2 347.463 0.754 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC001046040218 766745618 /nfs/dbraw/zinc/74/56/18/766745618.db2.gz HCOXUHZLWKWIJQ-OAHLLOKOSA-N 2 2 347.463 0.754 20 30 ECEDLP C[NH+]1CCC(CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046069388 766867259 /nfs/dbraw/zinc/86/72/59/766867259.db2.gz FRSLDOZUUKYRSL-KRWDZBQOSA-N 2 2 333.480 0.460 20 30 ECEDLP C[NH+]1CCC(CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046069390 766868204 /nfs/dbraw/zinc/86/82/04/766868204.db2.gz FRSLDOZUUKYRSL-QGZVFWFLSA-N 2 2 333.480 0.460 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)C1=O ZINC001031777212 767187057 /nfs/dbraw/zinc/18/70/57/767187057.db2.gz YRRXJTNOFFLWIH-HZPDHXFCSA-N 2 2 334.464 0.306 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001031777212 767187059 /nfs/dbraw/zinc/18/70/59/767187059.db2.gz YRRXJTNOFFLWIH-HZPDHXFCSA-N 2 2 334.464 0.306 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710413 768697061 /nfs/dbraw/zinc/69/70/61/768697061.db2.gz JDVHVFKMGXTGNK-BZUAXINKSA-N 2 2 345.447 0.268 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)nn1 ZINC001098790554 768769896 /nfs/dbraw/zinc/76/98/96/768769896.db2.gz VNMVXPTZSDAOLA-QGZVFWFLSA-N 2 2 344.463 0.650 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)CCC)CC1 ZINC001055499230 768951128 /nfs/dbraw/zinc/95/11/28/768951128.db2.gz UZRHXNGKAHXHKB-KRWDZBQOSA-N 2 2 348.491 0.581 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(=O)CCC)CC1 ZINC001055499230 768951134 /nfs/dbraw/zinc/95/11/34/768951134.db2.gz UZRHXNGKAHXHKB-KRWDZBQOSA-N 2 2 348.491 0.581 20 30 ECEDLP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001055603382 769238192 /nfs/dbraw/zinc/23/81/92/769238192.db2.gz CVGRLAUJUGIMSU-AWEZNQCLSA-N 2 2 346.435 0.130 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nc(CC)no3)C2)CC1 ZINC001019815923 771831525 /nfs/dbraw/zinc/83/15/25/771831525.db2.gz NTUQDQNTHWOTMX-HNNXBMFYSA-N 2 2 345.447 0.668 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001045073662 774936140 /nfs/dbraw/zinc/93/61/40/774936140.db2.gz MKFIQDOXTVDAEV-GJZGRUSLSA-N 2 2 345.447 0.810 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(CC)no1 ZINC001045073662 774936147 /nfs/dbraw/zinc/93/61/47/774936147.db2.gz MKFIQDOXTVDAEV-GJZGRUSLSA-N 2 2 345.447 0.810 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060147 790477391 /nfs/dbraw/zinc/47/73/91/790477391.db2.gz GTDBLNVKRBLSDU-SJORKVTESA-N 2 2 344.463 0.375 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060147 790477399 /nfs/dbraw/zinc/47/73/99/790477399.db2.gz GTDBLNVKRBLSDU-SJORKVTESA-N 2 2 344.463 0.375 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001079879125 777011013 /nfs/dbraw/zinc/01/10/13/777011013.db2.gz AMLNGOBNYPNNLI-ZACQAIPSSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001079879125 777011024 /nfs/dbraw/zinc/01/10/24/777011024.db2.gz AMLNGOBNYPNNLI-ZACQAIPSSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001079879125 777011032 /nfs/dbraw/zinc/01/10/32/777011032.db2.gz AMLNGOBNYPNNLI-ZACQAIPSSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001079879125 777011033 /nfs/dbraw/zinc/01/10/33/777011033.db2.gz AMLNGOBNYPNNLI-ZACQAIPSSA-N 2 2 346.475 0.143 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680484 781497844 /nfs/dbraw/zinc/49/78/44/781497844.db2.gz JDKMFTCIQQJPPT-CPUCHLNUSA-N 2 2 325.428 0.384 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680484 781497846 /nfs/dbraw/zinc/49/78/46/781497846.db2.gz JDKMFTCIQQJPPT-CPUCHLNUSA-N 2 2 325.428 0.384 20 30 ECEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001077680484 781497849 /nfs/dbraw/zinc/49/78/49/781497849.db2.gz JDKMFTCIQQJPPT-CPUCHLNUSA-N 2 2 325.428 0.384 20 30 ECEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680484 781497854 /nfs/dbraw/zinc/49/78/54/781497854.db2.gz JDKMFTCIQQJPPT-CPUCHLNUSA-N 2 2 325.428 0.384 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1n1ccnn1 ZINC001070220922 783687201 /nfs/dbraw/zinc/68/72/01/783687201.db2.gz SXLMVDQUPAKIMR-KFWWJZLASA-N 2 2 341.419 0.265 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070247131 783735620 /nfs/dbraw/zinc/73/56/20/783735620.db2.gz DAIFNRVZRILGSS-CABCVRRESA-N 2 2 329.408 0.483 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001071021678 784443170 /nfs/dbraw/zinc/44/31/70/784443170.db2.gz AYLVQCMABCUIHC-IRXDYDNUSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001071021678 784443178 /nfs/dbraw/zinc/44/31/78/784443178.db2.gz AYLVQCMABCUIHC-IRXDYDNUSA-N 2 2 348.491 0.533 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCC#N ZINC001070710572 784579504 /nfs/dbraw/zinc/57/95/04/784579504.db2.gz HSWKTYAVZJOBTF-RBSFLKMASA-N 2 2 330.436 0.169 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC#N ZINC001070710572 784579507 /nfs/dbraw/zinc/57/95/07/784579507.db2.gz HSWKTYAVZJOBTF-RBSFLKMASA-N 2 2 330.436 0.169 20 30 ECEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071218058 784760750 /nfs/dbraw/zinc/76/07/50/784760750.db2.gz IEEGUOCEGTVPCM-FUHWJXTLSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H](C)O2 ZINC001071218058 784760759 /nfs/dbraw/zinc/76/07/59/784760759.db2.gz IEEGUOCEGTVPCM-FUHWJXTLSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001071234310 784800700 /nfs/dbraw/zinc/80/07/00/784800700.db2.gz WZNROJCWSYWMHM-KSSFIOAISA-N 2 2 330.432 0.976 20 30 ECEDLP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001071234310 784800706 /nfs/dbraw/zinc/80/07/06/784800706.db2.gz WZNROJCWSYWMHM-KSSFIOAISA-N 2 2 330.432 0.976 20 30 ECEDLP C#CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001075415577 789343704 /nfs/dbraw/zinc/34/37/04/789343704.db2.gz LTUSXKNTRYHBCA-AEFFLSMTSA-N 2 2 330.432 0.961 20 30 ECEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073447438 789854039 /nfs/dbraw/zinc/85/40/39/789854039.db2.gz SJJSCGKQAXOXID-CQSZACIVSA-N 2 2 327.856 0.994 20 30 ECEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073447438 789854045 /nfs/dbraw/zinc/85/40/45/789854045.db2.gz SJJSCGKQAXOXID-CQSZACIVSA-N 2 2 327.856 0.994 20 30 ECEDLP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447438 789854050 /nfs/dbraw/zinc/85/40/50/789854050.db2.gz SJJSCGKQAXOXID-CQSZACIVSA-N 2 2 327.856 0.994 20 30 ECEDLP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447438 789854058 /nfs/dbraw/zinc/85/40/58/789854058.db2.gz SJJSCGKQAXOXID-CQSZACIVSA-N 2 2 327.856 0.994 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1n1ccnn1 ZINC001069949262 790228791 /nfs/dbraw/zinc/22/87/91/790228791.db2.gz NQDQASMLGFABLW-IKGGRYGDSA-N 2 2 344.463 0.373 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@@H]1n1ccnn1 ZINC001069949262 790228794 /nfs/dbraw/zinc/22/87/94/790228794.db2.gz NQDQASMLGFABLW-IKGGRYGDSA-N 2 2 344.463 0.373 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(C)C)C[C@@H]1n1ccnn1 ZINC001069949262 790228797 /nfs/dbraw/zinc/22/87/97/790228797.db2.gz NQDQASMLGFABLW-IKGGRYGDSA-N 2 2 344.463 0.373 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(C)C)C[C@@H]1n1ccnn1 ZINC001069949262 790228800 /nfs/dbraw/zinc/22/88/00/790228800.db2.gz NQDQASMLGFABLW-IKGGRYGDSA-N 2 2 344.463 0.373 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2nnc(CC)s2)CC1 ZINC001267473010 837498441 /nfs/dbraw/zinc/49/84/41/837498441.db2.gz FBVFTLROJZSVGC-UHFFFAOYSA-N 2 2 349.504 0.994 20 30 ECEDLP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)NCC#N)C1 ZINC001266477687 835878281 /nfs/dbraw/zinc/87/82/81/835878281.db2.gz UAZAZVZEUTZYRN-HOTGVXAUSA-N 2 2 349.479 0.329 20 30 ECEDLP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CC(=O)NCC#N)C1 ZINC001266477687 835878286 /nfs/dbraw/zinc/87/82/86/835878286.db2.gz UAZAZVZEUTZYRN-HOTGVXAUSA-N 2 2 349.479 0.329 20 30 ECEDLP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NCC#N)C1 ZINC001266477687 835878293 /nfs/dbraw/zinc/87/82/93/835878293.db2.gz UAZAZVZEUTZYRN-HOTGVXAUSA-N 2 2 349.479 0.329 20 30 ECEDLP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NCC#N)C1 ZINC001266477687 835878301 /nfs/dbraw/zinc/87/83/01/835878301.db2.gz UAZAZVZEUTZYRN-HOTGVXAUSA-N 2 2 349.479 0.329 20 30 ECEDLP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)NCC#N)C1 ZINC001266477688 835878340 /nfs/dbraw/zinc/87/83/40/835878340.db2.gz UAZAZVZEUTZYRN-HZPDHXFCSA-N 2 2 349.479 0.329 20 30 ECEDLP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC(=O)NCC#N)C1 ZINC001266477688 835878350 /nfs/dbraw/zinc/87/83/50/835878350.db2.gz UAZAZVZEUTZYRN-HZPDHXFCSA-N 2 2 349.479 0.329 20 30 ECEDLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)C1 ZINC001266477688 835878354 /nfs/dbraw/zinc/87/83/54/835878354.db2.gz UAZAZVZEUTZYRN-HZPDHXFCSA-N 2 2 349.479 0.329 20 30 ECEDLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)C1 ZINC001266477688 835878358 /nfs/dbraw/zinc/87/83/58/835878358.db2.gz UAZAZVZEUTZYRN-HZPDHXFCSA-N 2 2 349.479 0.329 20 30 ECEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001266608002 836041195 /nfs/dbraw/zinc/04/11/95/836041195.db2.gz REFOHDSSAGQUEK-VQHPVUNQSA-N 2 2 335.448 0.126 20 30 ECEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001267199857 836970140 /nfs/dbraw/zinc/97/01/40/836970140.db2.gz WXBBAEQQQVKTLW-MRXNPFEDSA-N 2 2 334.464 0.191 20 30 ECEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001267199857 836970150 /nfs/dbraw/zinc/97/01/50/836970150.db2.gz WXBBAEQQQVKTLW-MRXNPFEDSA-N 2 2 334.464 0.191 20 30 ECEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001267199857 836970152 /nfs/dbraw/zinc/97/01/52/836970152.db2.gz WXBBAEQQQVKTLW-MRXNPFEDSA-N 2 2 334.464 0.191 20 30 ECEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001267199857 836970166 /nfs/dbraw/zinc/97/01/66/836970166.db2.gz WXBBAEQQQVKTLW-MRXNPFEDSA-N 2 2 334.464 0.191 20 30 ECEDLP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267584757 837858174 /nfs/dbraw/zinc/85/81/74/837858174.db2.gz HXGYQRBXCVEKKC-IRXDYDNUSA-N 2 2 344.459 0.876 20 30 ECEDLP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267584757 837858186 /nfs/dbraw/zinc/85/81/86/837858186.db2.gz HXGYQRBXCVEKKC-IRXDYDNUSA-N 2 2 344.459 0.876 20 30 ECEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267630128 838087624 /nfs/dbraw/zinc/08/76/24/838087624.db2.gz ZTBXLVFFUYKQFV-IRXDYDNUSA-N 2 2 344.459 0.984 20 30 ECEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267630128 838087631 /nfs/dbraw/zinc/08/76/31/838087631.db2.gz ZTBXLVFFUYKQFV-IRXDYDNUSA-N 2 2 344.459 0.984 20 30 ECEDLP N#Cc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(F)c1 ZINC000269467126 263184197 /nfs/dbraw/zinc/18/41/97/263184197.db2.gz ZGBMADLOUQQVST-INIZCTEOSA-N 2 2 346.406 0.720 20 30 ECEDLP CN(C)c1[nH+]cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1C ZINC000515467960 267295515 /nfs/dbraw/zinc/29/55/15/267295515.db2.gz XPFBRJJBEVPNAZ-UHFFFAOYSA-N 2 2 348.432 0.316 20 30 ECEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCc1[nH+]ccn1C)C(C)C ZINC000284213009 276890723 /nfs/dbraw/zinc/89/07/23/276890723.db2.gz WWOBQGVEHQPCHC-HNNXBMFYSA-N 2 2 347.463 0.851 20 30 ECEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCN(c2ncccn2)CC1 ZINC000073447543 436079643 /nfs/dbraw/zinc/07/96/43/436079643.db2.gz AEROYYBEYZSFGU-UHFFFAOYSA-N 2 2 328.424 0.461 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000081665979 436352254 /nfs/dbraw/zinc/35/22/54/436352254.db2.gz AQWYFRVMZYOHBN-KRWDZBQOSA-N 2 2 346.475 0.002 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC000081665979 436352257 /nfs/dbraw/zinc/35/22/57/436352257.db2.gz AQWYFRVMZYOHBN-KRWDZBQOSA-N 2 2 346.475 0.002 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC000081670058 436354147 /nfs/dbraw/zinc/35/41/47/436354147.db2.gz CQPKJTYDESMSBU-KRWDZBQOSA-N 2 2 348.491 0.248 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC000081670058 436354145 /nfs/dbraw/zinc/35/41/45/436354145.db2.gz CQPKJTYDESMSBU-KRWDZBQOSA-N 2 2 348.491 0.248 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000113433422 436637902 /nfs/dbraw/zinc/63/79/02/436637902.db2.gz OFYNLPVEBQDYFK-ULQDDVLXSA-N 2 2 348.491 0.531 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000113433422 436637904 /nfs/dbraw/zinc/63/79/04/436637904.db2.gz OFYNLPVEBQDYFK-ULQDDVLXSA-N 2 2 348.491 0.531 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000293439654 436878344 /nfs/dbraw/zinc/87/83/44/436878344.db2.gz RNYZLGPEQFHADT-UHFFFAOYSA-N 2 2 339.399 0.882 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000293439654 436878346 /nfs/dbraw/zinc/87/83/46/436878346.db2.gz RNYZLGPEQFHADT-UHFFFAOYSA-N 2 2 339.399 0.882 20 30 ECEDLP CC1(C)COCC[N@@H+]1CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000261993115 436900507 /nfs/dbraw/zinc/90/05/07/436900507.db2.gz MXUIROXBDOSHSJ-UHFFFAOYSA-N 2 2 347.467 0.024 20 30 ECEDLP CC1(C)COCC[N@H+]1CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000261993115 436900510 /nfs/dbraw/zinc/90/05/10/436900510.db2.gz MXUIROXBDOSHSJ-UHFFFAOYSA-N 2 2 347.467 0.024 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000286451383 437090664 /nfs/dbraw/zinc/09/06/64/437090664.db2.gz HOGBKIDPCRIMRV-CQSZACIVSA-N 2 2 345.447 0.882 20 30 ECEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331439809 437096265 /nfs/dbraw/zinc/09/62/65/437096265.db2.gz XFMHHQLMXXNBQO-DZGCQCFKSA-N 2 2 347.463 0.032 20 30 ECEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331439809 437096267 /nfs/dbraw/zinc/09/62/67/437096267.db2.gz XFMHHQLMXXNBQO-DZGCQCFKSA-N 2 2 347.463 0.032 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000176670923 437152821 /nfs/dbraw/zinc/15/28/21/437152821.db2.gz NISYMFALSIWZQN-IBGZPJMESA-N 2 2 346.519 0.960 20 30 ECEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000303779314 437156428 /nfs/dbraw/zinc/15/64/28/437156428.db2.gz KIXVQQHKGLZRLT-UHFFFAOYSA-N 3 2 343.435 0.394 20 30 ECEDLP C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000332055330 437201590 /nfs/dbraw/zinc/20/15/90/437201590.db2.gz OIWCLLZRHIXHPZ-HUUCEWRRSA-N 2 2 347.463 0.176 20 30 ECEDLP C[NH+](C)C1(C#N)CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000332055330 437201594 /nfs/dbraw/zinc/20/15/94/437201594.db2.gz OIWCLLZRHIXHPZ-HUUCEWRRSA-N 2 2 347.463 0.176 20 30 ECEDLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)C[NH+]1CCOCC1 ZINC000328884243 437279443 /nfs/dbraw/zinc/27/94/43/437279443.db2.gz NSUMINAGDKNFDQ-PMPSAXMXSA-N 2 2 340.468 0.274 20 30 ECEDLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)C[NH+]1CCOCC1 ZINC000328884243 437279449 /nfs/dbraw/zinc/27/94/49/437279449.db2.gz NSUMINAGDKNFDQ-PMPSAXMXSA-N 2 2 340.468 0.274 20 30 ECEDLP COc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1 ZINC000329130566 437322519 /nfs/dbraw/zinc/32/25/19/437322519.db2.gz OLRBDRLLRLIFRU-UHFFFAOYSA-N 2 2 348.451 1.370 20 30 ECEDLP C[C@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000329189821 437331219 /nfs/dbraw/zinc/33/12/19/437331219.db2.gz CENYAXPNLGVWAN-ARFHVFGLSA-N 2 2 340.468 0.416 20 30 ECEDLP CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C[C@@H](C)O ZINC000330243094 437473414 /nfs/dbraw/zinc/47/34/14/437473414.db2.gz CKAIMWNJJZVWLI-RBSFLKMASA-N 2 2 335.452 0.889 20 30 ECEDLP CC[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C[C@@H](C)O ZINC000330243094 437473416 /nfs/dbraw/zinc/47/34/16/437473416.db2.gz CKAIMWNJJZVWLI-RBSFLKMASA-N 2 2 335.452 0.889 20 30 ECEDLP Cc1onc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C#N ZINC000354731069 437649641 /nfs/dbraw/zinc/64/96/41/437649641.db2.gz ADJGDSLMHIIRBF-UHFFFAOYSA-N 2 2 333.436 0.882 20 30 ECEDLP Cc1onc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C#N ZINC000354731069 437649651 /nfs/dbraw/zinc/64/96/51/437649651.db2.gz ADJGDSLMHIIRBF-UHFFFAOYSA-N 2 2 333.436 0.882 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361532454 437667846 /nfs/dbraw/zinc/66/78/46/437667846.db2.gz XYBYNFQMAQCXSK-UHFFFAOYSA-N 2 2 331.420 0.974 20 30 ECEDLP COCC1(C#N)CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000341996039 437937970 /nfs/dbraw/zinc/93/79/70/437937970.db2.gz RQWAWGPUKXTHSA-UHFFFAOYSA-N 2 2 334.464 0.982 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000377476044 438311545 /nfs/dbraw/zinc/31/15/45/438311545.db2.gz HOXILCACRVIKPA-KRWDZBQOSA-N 2 2 346.475 0.097 20 30 ECEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)C1 ZINC000370080532 438550387 /nfs/dbraw/zinc/55/03/87/438550387.db2.gz FZERADJMKOAQMT-IXDOHACOSA-N 2 2 334.464 0.982 20 30 ECEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000602878132 439150152 /nfs/dbraw/zinc/15/01/52/439150152.db2.gz WASMSXMYZKGPMH-HKUYNNGSSA-N 2 2 347.459 0.881 20 30 ECEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000602878132 439150157 /nfs/dbraw/zinc/15/01/57/439150157.db2.gz WASMSXMYZKGPMH-HKUYNNGSSA-N 2 2 347.459 0.881 20 30 ECEDLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)n1C ZINC000581483683 439217948 /nfs/dbraw/zinc/21/79/48/439217948.db2.gz DBMHPQIDDHTFQQ-OAHLLOKOSA-N 2 2 329.404 0.887 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2cc(OC)cc(OC)c2)CC1 ZINC000490741572 439293952 /nfs/dbraw/zinc/29/39/52/439293952.db2.gz STMNRYAQMAVRQN-UHFFFAOYSA-N 2 2 345.443 0.913 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2cc(OC)cc(OC)c2)CC1 ZINC000490741572 439293958 /nfs/dbraw/zinc/29/39/58/439293958.db2.gz STMNRYAQMAVRQN-UHFFFAOYSA-N 2 2 345.443 0.913 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccccc2)C[C@@H](C)O)CC1 ZINC000490780729 439297645 /nfs/dbraw/zinc/29/76/45/439297645.db2.gz QIDWEIIZWZQYPQ-QGZVFWFLSA-N 2 2 329.444 0.647 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccc2)C[C@@H](C)O)CC1 ZINC000490780729 439297649 /nfs/dbraw/zinc/29/76/49/439297649.db2.gz QIDWEIIZWZQYPQ-QGZVFWFLSA-N 2 2 329.444 0.647 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000490780800 439298314 /nfs/dbraw/zinc/29/83/14/439298314.db2.gz RISLOWNLBVOFSE-MSOLQXFVSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000490780800 439298317 /nfs/dbraw/zinc/29/83/17/439298317.db2.gz RISLOWNLBVOFSE-MSOLQXFVSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCCCC)C2)CC1 ZINC000490841204 439301885 /nfs/dbraw/zinc/30/18/85/439301885.db2.gz SJJZRGXKKOINLF-QGZVFWFLSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCCCC)C2)CC1 ZINC000490841204 439301888 /nfs/dbraw/zinc/30/18/88/439301888.db2.gz SJJZRGXKKOINLF-QGZVFWFLSA-N 2 2 348.491 0.392 20 30 ECEDLP C#C[C@@H]1COCCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000491677979 439427010 /nfs/dbraw/zinc/42/70/10/439427010.db2.gz SBQSKXIXOKMEAT-QGZVFWFLSA-N 2 2 348.491 0.980 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC3(CCC(O)CC3)CC2)CC1 ZINC000491778052 439448490 /nfs/dbraw/zinc/44/84/90/439448490.db2.gz XQPJZCODTOEZCH-UHFFFAOYSA-N 2 2 333.476 0.781 20 30 ECEDLP CCN(CCC#N)S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000594804304 439616534 /nfs/dbraw/zinc/61/65/34/439616534.db2.gz WHAUZTGNCQHBLS-AWEZNQCLSA-N 2 2 333.502 0.328 20 30 ECEDLP CCN(CCC#N)S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000594804304 439616536 /nfs/dbraw/zinc/61/65/36/439616536.db2.gz WHAUZTGNCQHBLS-AWEZNQCLSA-N 2 2 333.502 0.328 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000600746250 439696776 /nfs/dbraw/zinc/69/67/76/439696776.db2.gz VMOXYKWLUPGWID-DLBZAZTESA-N 2 2 333.432 0.734 20 30 ECEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000600746250 439696779 /nfs/dbraw/zinc/69/67/79/439696779.db2.gz VMOXYKWLUPGWID-DLBZAZTESA-N 2 2 333.432 0.734 20 30 ECEDLP C=CC[C@]1(C(=O)N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)CCC[NH2+]1 ZINC000662753343 439874603 /nfs/dbraw/zinc/87/46/03/439874603.db2.gz YOSXHABGYVYRGT-QFBILLFUSA-N 2 2 348.491 0.840 20 30 ECEDLP C=CCCn1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)nn1 ZINC000657362364 441002973 /nfs/dbraw/zinc/00/29/73/441002973.db2.gz AVAWPMDUCJXOJP-MRXNPFEDSA-N 2 2 334.468 0.350 20 30 ECEDLP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC001078012870 782136728 /nfs/dbraw/zinc/13/67/28/782136728.db2.gz GITONVMZTOYOKK-HUUCEWRRSA-N 2 2 346.456 0.377 20 30 ECEDLP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC001078012870 782136734 /nfs/dbraw/zinc/13/67/34/782136734.db2.gz GITONVMZTOYOKK-HUUCEWRRSA-N 2 2 346.456 0.377 20 30 ECEDLP C(C[NH+]1CCC(N=NC2=[NH+][C@@H]3CCCC[C@H]3N2)CC1)N1CCOCC1 ZINC000753933973 579409430 /nfs/dbraw/zinc/40/94/30/579409430.db2.gz DTQLGMKCUYUFCJ-IAGOWNOFSA-N 2 2 348.495 0.630 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000793494008 578929534 /nfs/dbraw/zinc/92/95/34/578929534.db2.gz RFXRGDNNNAXNHI-UHFFFAOYSA-N 2 2 326.404 0.614 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)[C@H](C)c2ccccc2)CC1 ZINC000766977103 579098927 /nfs/dbraw/zinc/09/89/27/579098927.db2.gz PXOQBNZVCMEDEX-SJLPKXTDSA-N 2 2 329.444 0.518 20 30 ECEDLP COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)CC2 ZINC000834480333 588901692 /nfs/dbraw/zinc/90/16/92/588901692.db2.gz OPWHDXOHXWMKMX-HUUCEWRRSA-N 2 2 344.415 0.290 20 30 ECEDLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)CC2 ZINC000834480333 588901694 /nfs/dbraw/zinc/90/16/94/588901694.db2.gz OPWHDXOHXWMKMX-HUUCEWRRSA-N 2 2 344.415 0.290 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(C#CCO)c3)C2)CC1 ZINC000900672263 586654532 /nfs/dbraw/zinc/65/45/32/586654532.db2.gz BBSQNWZJDJINBL-GOSISDBHSA-N 2 2 341.455 0.929 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(C#CCO)c3)C2)CC1 ZINC000900672263 586654533 /nfs/dbraw/zinc/65/45/33/586654533.db2.gz BBSQNWZJDJINBL-GOSISDBHSA-N 2 2 341.455 0.929 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)c2ccccc2F)CC1 ZINC000830351366 588369429 /nfs/dbraw/zinc/36/94/29/588369429.db2.gz QKUAXOFSSSMWDR-QGZVFWFLSA-N 2 2 333.407 0.616 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)CC1 ZINC000852654650 589504749 /nfs/dbraw/zinc/50/47/49/589504749.db2.gz MCAYFEKGEMZGKQ-IBGZPJMESA-N 2 2 340.471 0.975 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)CC1 ZINC000852654650 589504750 /nfs/dbraw/zinc/50/47/50/589504750.db2.gz MCAYFEKGEMZGKQ-IBGZPJMESA-N 2 2 340.471 0.975 20 30 ECEDLP C#CC[C@H](COC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000859031603 589793961 /nfs/dbraw/zinc/79/39/61/589793961.db2.gz JNONJHHYQGICAK-HRBLRVMOSA-N 2 2 348.491 0.977 20 30 ECEDLP C#CC[C@H](COC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000859031603 589793963 /nfs/dbraw/zinc/79/39/63/589793963.db2.gz JNONJHHYQGICAK-HRBLRVMOSA-N 2 2 348.491 0.977 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000880260968 590380671 /nfs/dbraw/zinc/38/06/71/590380671.db2.gz HBWIOCDVBYHBQH-QGZVFWFLSA-N 2 2 341.459 0.370 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)CC1 ZINC000880260968 590380673 /nfs/dbraw/zinc/38/06/73/590380673.db2.gz HBWIOCDVBYHBQH-QGZVFWFLSA-N 2 2 341.459 0.370 20 30 ECEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCC[NH+]1CCOCC1 ZINC000876707594 590400860 /nfs/dbraw/zinc/40/08/60/590400860.db2.gz LBPYTBKCHXVFQY-QGZVFWFLSA-N 2 2 328.416 0.584 20 30 ECEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876783575 590415265 /nfs/dbraw/zinc/41/52/65/590415265.db2.gz HGLDGEPSNUCXQK-DOTOQJQBSA-N 2 2 327.432 0.107 20 30 ECEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876783575 590415267 /nfs/dbraw/zinc/41/52/67/590415267.db2.gz HGLDGEPSNUCXQK-DOTOQJQBSA-N 2 2 327.432 0.107 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879243843 590573225 /nfs/dbraw/zinc/57/32/25/590573225.db2.gz MHZQAMIPFCLRAK-QUCCMNQESA-N 2 2 341.455 0.962 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879243843 590573227 /nfs/dbraw/zinc/57/32/27/590573227.db2.gz MHZQAMIPFCLRAK-QUCCMNQESA-N 2 2 341.455 0.962 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000884181704 590765308 /nfs/dbraw/zinc/76/53/08/590765308.db2.gz MPIVPKSPTYYZQS-KRWDZBQOSA-N 2 2 345.443 0.820 20 30 ECEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C2 ZINC000884211019 590777202 /nfs/dbraw/zinc/77/72/02/590777202.db2.gz QINIIYHJWAHFHJ-VZDIDWBNSA-N 2 2 346.475 0.839 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000884387641 590818400 /nfs/dbraw/zinc/81/84/00/590818400.db2.gz ZOBSIADLDCHPHZ-IRXDYDNUSA-N 2 2 345.443 0.818 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000884387641 590818403 /nfs/dbraw/zinc/81/84/03/590818403.db2.gz ZOBSIADLDCHPHZ-IRXDYDNUSA-N 2 2 345.443 0.818 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000884611913 590870931 /nfs/dbraw/zinc/87/09/31/590870931.db2.gz YEIMYYPFPUWTLF-CQSZACIVSA-N 2 2 328.420 0.265 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc(N3CCN(C)C(=O)C3)[nH+]cn2)C1 ZINC000884611913 590870935 /nfs/dbraw/zinc/87/09/35/590870935.db2.gz YEIMYYPFPUWTLF-CQSZACIVSA-N 2 2 328.420 0.265 20 30 ECEDLP C=CCC[NH+]1CC(N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC000941466615 610328027 /nfs/dbraw/zinc/32/80/27/610328027.db2.gz UPDKLYGWMWZQQZ-UHFFFAOYSA-N 2 2 347.463 0.754 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941471400 610329999 /nfs/dbraw/zinc/32/99/99/610329999.db2.gz ZPUJDCYRKORLEI-IBGZPJMESA-N 2 2 346.519 0.959 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000941471400 610330001 /nfs/dbraw/zinc/33/00/01/610330001.db2.gz ZPUJDCYRKORLEI-IBGZPJMESA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408650 610722847 /nfs/dbraw/zinc/72/28/47/610722847.db2.gz OPIVEGNMORXXTA-IRXDYDNUSA-N 2 2 330.476 0.322 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408650 610722848 /nfs/dbraw/zinc/72/28/48/610722848.db2.gz OPIVEGNMORXXTA-IRXDYDNUSA-N 2 2 330.476 0.322 20 30 ECEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394719 611962924 /nfs/dbraw/zinc/96/29/24/611962924.db2.gz ATCYSBNDERQMCT-HZPDHXFCSA-N 2 2 335.448 0.032 20 30 ECEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394719 611962925 /nfs/dbraw/zinc/96/29/25/611962925.db2.gz ATCYSBNDERQMCT-HZPDHXFCSA-N 2 2 335.448 0.032 20 30 ECEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394719 611962928 /nfs/dbraw/zinc/96/29/28/611962928.db2.gz ATCYSBNDERQMCT-HZPDHXFCSA-N 2 2 335.448 0.032 20 30 ECEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394719 611962931 /nfs/dbraw/zinc/96/29/31/611962931.db2.gz ATCYSBNDERQMCT-HZPDHXFCSA-N 2 2 335.448 0.032 20 30 ECEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001104274219 733563147 /nfs/dbraw/zinc/56/31/47/733563147.db2.gz ILMDSXNQARQIKI-HUUCEWRRSA-N 2 2 345.447 0.166 20 30 ECEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001104274219 733563150 /nfs/dbraw/zinc/56/31/50/733563150.db2.gz ILMDSXNQARQIKI-HUUCEWRRSA-N 2 2 345.447 0.166 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nnc(C)o3)C2)CC1 ZINC000970791835 733942561 /nfs/dbraw/zinc/94/25/61/733942561.db2.gz ABDRFMUQVYGXAU-CZUORRHYSA-N 2 2 345.447 0.975 20 30 ECEDLP C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971270103 734412923 /nfs/dbraw/zinc/41/29/23/734412923.db2.gz DIAGBUSYDQMCGM-ZWKOTPCHSA-N 2 2 342.443 0.922 20 30 ECEDLP C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971270103 734412926 /nfs/dbraw/zinc/41/29/26/734412926.db2.gz DIAGBUSYDQMCGM-ZWKOTPCHSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971270103 734412929 /nfs/dbraw/zinc/41/29/29/734412929.db2.gz DIAGBUSYDQMCGM-ZWKOTPCHSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971270103 734412933 /nfs/dbraw/zinc/41/29/33/734412933.db2.gz DIAGBUSYDQMCGM-ZWKOTPCHSA-N 2 2 342.443 0.922 20 30 ECEDLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078174183 782426496 /nfs/dbraw/zinc/42/64/96/782426496.db2.gz DFXDZLJUDVKCKI-RCCFBDPRSA-N 2 2 327.428 0.151 20 30 ECEDLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078174183 782426498 /nfs/dbraw/zinc/42/64/98/782426498.db2.gz DFXDZLJUDVKCKI-RCCFBDPRSA-N 2 2 327.428 0.151 20 30 ECEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078174183 782426501 /nfs/dbraw/zinc/42/65/01/782426501.db2.gz DFXDZLJUDVKCKI-RCCFBDPRSA-N 2 2 327.428 0.151 20 30 ECEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078174183 782426503 /nfs/dbraw/zinc/42/65/03/782426503.db2.gz DFXDZLJUDVKCKI-RCCFBDPRSA-N 2 2 327.428 0.151 20 30 ECEDLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001078174802 782429918 /nfs/dbraw/zinc/42/99/18/782429918.db2.gz SYOMXENXTHWWPR-DJIMGWMZSA-N 2 2 346.406 0.310 20 30 ECEDLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001078174802 782429922 /nfs/dbraw/zinc/42/99/22/782429922.db2.gz SYOMXENXTHWWPR-DJIMGWMZSA-N 2 2 346.406 0.310 20 30 ECEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001078174802 782429930 /nfs/dbraw/zinc/42/99/30/782429930.db2.gz SYOMXENXTHWWPR-DJIMGWMZSA-N 2 2 346.406 0.310 20 30 ECEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001078174802 782429936 /nfs/dbraw/zinc/42/99/36/782429936.db2.gz SYOMXENXTHWWPR-DJIMGWMZSA-N 2 2 346.406 0.310 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)Cc3[nH]cc[nH+]3)CC2)C1=O ZINC001167528761 735572360 /nfs/dbraw/zinc/57/23/60/735572360.db2.gz JDIAJLNALZPPEA-CQSZACIVSA-N 2 2 345.447 0.615 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972441858 736204497 /nfs/dbraw/zinc/20/44/97/736204497.db2.gz VZKINNCWEPFELN-APWZRJJASA-N 2 2 342.443 0.772 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972441858 736204499 /nfs/dbraw/zinc/20/44/99/736204499.db2.gz VZKINNCWEPFELN-APWZRJJASA-N 2 2 342.443 0.772 20 30 ECEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C[C@@H](C)O2 ZINC001098577818 737005461 /nfs/dbraw/zinc/00/54/61/737005461.db2.gz IPEYSFWSEDNAQM-CVEARBPZSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@@H](C)O2 ZINC001098577818 737005467 /nfs/dbraw/zinc/00/54/67/737005467.db2.gz IPEYSFWSEDNAQM-CVEARBPZSA-N 2 2 337.464 0.585 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972616609 737104066 /nfs/dbraw/zinc/10/40/66/737104066.db2.gz BPPVPBAXCOSVKT-LJQANCHMSA-N 2 2 349.475 0.424 20 30 ECEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000972616609 737104069 /nfs/dbraw/zinc/10/40/69/737104069.db2.gz BPPVPBAXCOSVKT-LJQANCHMSA-N 2 2 349.475 0.424 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996268 790292397 /nfs/dbraw/zinc/29/23/97/790292397.db2.gz ZGFUSHJORSSYHO-CABCVRRESA-N 2 2 332.452 0.680 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069996268 790292398 /nfs/dbraw/zinc/29/23/98/790292398.db2.gz ZGFUSHJORSSYHO-CABCVRRESA-N 2 2 332.452 0.680 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C34CCC[NH+](CCC3)C4)C2)nn1 ZINC001105268605 741611388 /nfs/dbraw/zinc/61/13/88/741611388.db2.gz UYKCNIRTTFKRCB-UHFFFAOYSA-N 2 2 342.447 0.260 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)nn1 ZINC001105336891 742433559 /nfs/dbraw/zinc/43/35/59/742433559.db2.gz NHFXPTPXWRRBOQ-UHFFFAOYSA-N 2 2 343.435 0.957 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1=O ZINC000996857393 742955838 /nfs/dbraw/zinc/95/58/38/742955838.db2.gz AWAYIFHNYARCEN-MRXNPFEDSA-N 2 2 345.447 0.641 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3nncs3)C2)CC1 ZINC001029003803 743160436 /nfs/dbraw/zinc/16/04/36/743160436.db2.gz QAXRNUDODORXOU-CQSZACIVSA-N 2 2 347.488 0.821 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3nncs3)C2)CC1 ZINC001029003803 743160437 /nfs/dbraw/zinc/16/04/37/743160437.db2.gz QAXRNUDODORXOU-CQSZACIVSA-N 2 2 347.488 0.821 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000997830986 743842370 /nfs/dbraw/zinc/84/23/70/743842370.db2.gz GGHLKCKIYLQTQQ-HNNXBMFYSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000997830986 743842375 /nfs/dbraw/zinc/84/23/75/743842375.db2.gz GGHLKCKIYLQTQQ-HNNXBMFYSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+]([C@H](C)C(N)=O)C[C@]2(C)C1 ZINC000982298357 751909174 /nfs/dbraw/zinc/90/91/74/751909174.db2.gz BYSZEIDJQGMKNN-OHQAAIJDSA-N 2 2 346.475 0.128 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@H](C)C(N)=O)C[C@]2(C)C1 ZINC000982298357 751909178 /nfs/dbraw/zinc/90/91/78/751909178.db2.gz BYSZEIDJQGMKNN-OHQAAIJDSA-N 2 2 346.475 0.128 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+]([C@H](C)C(N)=O)C[C@]2(C)C1 ZINC000982298357 751909180 /nfs/dbraw/zinc/90/91/80/751909180.db2.gz BYSZEIDJQGMKNN-OHQAAIJDSA-N 2 2 346.475 0.128 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+]([C@H](C)C(N)=O)C[C@]2(C)C1 ZINC000982298357 751909184 /nfs/dbraw/zinc/90/91/84/751909184.db2.gz BYSZEIDJQGMKNN-OHQAAIJDSA-N 2 2 346.475 0.128 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999390181 744670553 /nfs/dbraw/zinc/67/05/53/744670553.db2.gz DZXKQWFUJWKYAK-CABCVRRESA-N 2 2 331.420 0.556 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC000999390181 744670556 /nfs/dbraw/zinc/67/05/56/744670556.db2.gz DZXKQWFUJWKYAK-CABCVRRESA-N 2 2 331.420 0.556 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004188 752041208 /nfs/dbraw/zinc/04/12/08/752041208.db2.gz USQYSXYZKDHVOB-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004188 752041213 /nfs/dbraw/zinc/04/12/13/752041213.db2.gz USQYSXYZKDHVOB-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004188 752041216 /nfs/dbraw/zinc/04/12/16/752041216.db2.gz USQYSXYZKDHVOB-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004188 752041220 /nfs/dbraw/zinc/04/12/20/752041220.db2.gz USQYSXYZKDHVOB-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213213633 752200927 /nfs/dbraw/zinc/20/09/27/752200927.db2.gz OYUUGYOJSFQAKJ-KURKYZTESA-N 2 2 349.475 0.326 20 30 ECEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213213633 752200933 /nfs/dbraw/zinc/20/09/33/752200933.db2.gz OYUUGYOJSFQAKJ-KURKYZTESA-N 2 2 349.475 0.326 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001003054906 748123090 /nfs/dbraw/zinc/12/30/90/748123090.db2.gz CGJOPWHXUGFWAY-KRWDZBQOSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001003054906 748123095 /nfs/dbraw/zinc/12/30/95/748123095.db2.gz CGJOPWHXUGFWAY-KRWDZBQOSA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccnn2C)[C@@H]1C ZINC001088631271 753431397 /nfs/dbraw/zinc/43/13/97/753431397.db2.gz BXVPOFZIXWVWGN-NJAFHUGGSA-N 2 2 343.475 0.639 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccnn2C)[C@@H]1C ZINC001088631271 753431401 /nfs/dbraw/zinc/43/14/01/753431401.db2.gz BXVPOFZIXWVWGN-NJAFHUGGSA-N 2 2 343.475 0.639 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2ccnn2C)[C@@H]1C ZINC001088631271 753431406 /nfs/dbraw/zinc/43/14/06/753431406.db2.gz BXVPOFZIXWVWGN-NJAFHUGGSA-N 2 2 343.475 0.639 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2ccnn2C)[C@@H]1C ZINC001088631271 753431411 /nfs/dbraw/zinc/43/14/11/753431411.db2.gz BXVPOFZIXWVWGN-NJAFHUGGSA-N 2 2 343.475 0.639 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)[C@@H]1C ZINC001088630891 753442810 /nfs/dbraw/zinc/44/28/10/753442810.db2.gz GHYUIXZLYRVVGK-PVAVHDDUSA-N 2 2 329.448 0.597 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)[C@@H]1C ZINC001088630891 753442816 /nfs/dbraw/zinc/44/28/16/753442816.db2.gz GHYUIXZLYRVVGK-PVAVHDDUSA-N 2 2 329.448 0.597 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cnn(C)c2)[C@@H]1C ZINC001088630891 753442824 /nfs/dbraw/zinc/44/28/24/753442824.db2.gz GHYUIXZLYRVVGK-PVAVHDDUSA-N 2 2 329.448 0.597 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cnn(C)c2)[C@@H]1C ZINC001088630891 753442831 /nfs/dbraw/zinc/44/28/31/753442831.db2.gz GHYUIXZLYRVVGK-PVAVHDDUSA-N 2 2 329.448 0.597 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2=CCCCC2)C[C@@H]1O ZINC001083535930 755976407 /nfs/dbraw/zinc/97/64/07/755976407.db2.gz UTZJJWOTZLUIPZ-SQNIBIBYSA-N 2 2 331.460 0.746 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@@H]1O ZINC001083535930 755976411 /nfs/dbraw/zinc/97/64/11/755976411.db2.gz UTZJJWOTZLUIPZ-SQNIBIBYSA-N 2 2 331.460 0.746 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@@H]1O ZINC001083535930 755976415 /nfs/dbraw/zinc/97/64/15/755976415.db2.gz UTZJJWOTZLUIPZ-SQNIBIBYSA-N 2 2 331.460 0.746 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2=CCCCC2)C[C@@H]1O ZINC001083535930 755976419 /nfs/dbraw/zinc/97/64/19/755976419.db2.gz UTZJJWOTZLUIPZ-SQNIBIBYSA-N 2 2 331.460 0.746 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnns3)C[C@@H]2C1 ZINC001048870031 757238404 /nfs/dbraw/zinc/23/84/04/757238404.db2.gz LKRGKAZDZGMJPM-LZWOXQAQSA-N 2 2 345.472 0.526 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnns3)C[C@@H]2C1 ZINC001048870031 757238415 /nfs/dbraw/zinc/23/84/15/757238415.db2.gz LKRGKAZDZGMJPM-LZWOXQAQSA-N 2 2 345.472 0.526 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnns3)C[C@@H]2C1 ZINC001048870031 757238424 /nfs/dbraw/zinc/23/84/24/757238424.db2.gz LKRGKAZDZGMJPM-LZWOXQAQSA-N 2 2 345.472 0.526 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnns3)C[C@@H]2C1 ZINC001048870031 757238431 /nfs/dbraw/zinc/23/84/31/757238431.db2.gz LKRGKAZDZGMJPM-LZWOXQAQSA-N 2 2 345.472 0.526 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2cccc(C)c2)C[C@H]1O ZINC001077158702 758373727 /nfs/dbraw/zinc/37/37/27/758373727.db2.gz SQCLZBXDRCCGRA-CEXWTWQISA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C)c2)C[C@H]1O ZINC001077158702 758373738 /nfs/dbraw/zinc/37/37/38/758373738.db2.gz SQCLZBXDRCCGRA-CEXWTWQISA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C)c2)C[C@H]1O ZINC001077158702 758373747 /nfs/dbraw/zinc/37/37/47/758373747.db2.gz SQCLZBXDRCCGRA-CEXWTWQISA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2cccc(C)c2)C[C@H]1O ZINC001077158702 758373757 /nfs/dbraw/zinc/37/37/57/758373757.db2.gz SQCLZBXDRCCGRA-CEXWTWQISA-N 2 2 341.455 0.754 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCC)C1 ZINC001022220782 758440848 /nfs/dbraw/zinc/44/08/48/758440848.db2.gz PCWKAUFYGXYAHE-XHSDSOJGSA-N 2 2 344.463 0.523 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2CCC)C1 ZINC001022220782 758440855 /nfs/dbraw/zinc/44/08/55/758440855.db2.gz PCWKAUFYGXYAHE-XHSDSOJGSA-N 2 2 344.463 0.523 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1=O ZINC001127785033 758776561 /nfs/dbraw/zinc/77/65/61/758776561.db2.gz FARHQIMRSUHQMQ-OAHLLOKOSA-N 2 2 345.447 0.255 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001014774414 763132794 /nfs/dbraw/zinc/13/27/94/763132794.db2.gz DXXJJJVTWXMTTO-SJORKVTESA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001014774414 763132799 /nfs/dbraw/zinc/13/27/99/763132799.db2.gz DXXJJJVTWXMTTO-SJORKVTESA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001014774414 763132802 /nfs/dbraw/zinc/13/28/02/763132802.db2.gz DXXJJJVTWXMTTO-SJORKVTESA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001014774414 763132806 /nfs/dbraw/zinc/13/28/06/763132806.db2.gz DXXJJJVTWXMTTO-SJORKVTESA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)nn1 ZINC001098784245 768112057 /nfs/dbraw/zinc/11/20/57/768112057.db2.gz CIFYPWGUOMEFRN-IAGOWNOFSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001098784245 768112062 /nfs/dbraw/zinc/11/20/62/768112062.db2.gz CIFYPWGUOMEFRN-IAGOWNOFSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC001052105877 763876728 /nfs/dbraw/zinc/87/67/28/763876728.db2.gz SXAMOJFOPKAQNH-IBGZPJMESA-N 2 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC2CC2)CC1 ZINC001052457297 764541515 /nfs/dbraw/zinc/54/15/15/764541515.db2.gz QXTSOCNHOHCHPF-RDJZCZTQSA-N 2 2 346.475 0.333 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)NC2CC2)CC1 ZINC001052457297 764541522 /nfs/dbraw/zinc/54/15/22/764541522.db2.gz QXTSOCNHOHCHPF-RDJZCZTQSA-N 2 2 346.475 0.333 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(=O)NC2CC2)CC1 ZINC001052457297 764541531 /nfs/dbraw/zinc/54/15/31/764541531.db2.gz QXTSOCNHOHCHPF-RDJZCZTQSA-N 2 2 346.475 0.333 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(=O)NC2CC2)CC1 ZINC001052457297 764541538 /nfs/dbraw/zinc/54/15/38/764541538.db2.gz QXTSOCNHOHCHPF-RDJZCZTQSA-N 2 2 346.475 0.333 20 30 ECEDLP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC001098773592 764908340 /nfs/dbraw/zinc/90/83/40/764908340.db2.gz GJHCQRWKWFEPTK-OAHLLOKOSA-N 2 2 341.419 0.439 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)CCO2 ZINC001053392979 766072594 /nfs/dbraw/zinc/07/25/94/766072594.db2.gz HQPMJLBVXHTBNZ-MRXNPFEDSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CCO2 ZINC001053392979 766072599 /nfs/dbraw/zinc/07/25/99/766072599.db2.gz HQPMJLBVXHTBNZ-MRXNPFEDSA-N 2 2 337.464 0.585 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)O2 ZINC001053649517 766510917 /nfs/dbraw/zinc/51/09/17/766510917.db2.gz OBEBNCHXRLNDFV-SJORKVTESA-N 2 2 349.475 0.469 20 30 ECEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)O2 ZINC001053649517 766510919 /nfs/dbraw/zinc/51/09/19/766510919.db2.gz OBEBNCHXRLNDFV-SJORKVTESA-N 2 2 349.475 0.469 20 30 ECEDLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046034416 766715067 /nfs/dbraw/zinc/71/50/67/766715067.db2.gz VDFIHKLECLEKDU-SJORKVTESA-N 2 2 333.480 0.603 20 30 ECEDLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046034416 766715075 /nfs/dbraw/zinc/71/50/75/766715075.db2.gz VDFIHKLECLEKDU-SJORKVTESA-N 2 2 333.480 0.603 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046040170 766745545 /nfs/dbraw/zinc/74/55/45/766745545.db2.gz FWPREMLMEBDELK-FUHWJXTLSA-N 2 2 341.459 0.297 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC001046040170 766745549 /nfs/dbraw/zinc/74/55/49/766745549.db2.gz FWPREMLMEBDELK-FUHWJXTLSA-N 2 2 341.459 0.297 20 30 ECEDLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046040674 766747936 /nfs/dbraw/zinc/74/79/36/766747936.db2.gz HFOUEZJUCLCRIO-ZWKOTPCHSA-N 2 2 347.507 0.849 20 30 ECEDLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046040674 766747943 /nfs/dbraw/zinc/74/79/43/766747943.db2.gz HFOUEZJUCLCRIO-ZWKOTPCHSA-N 2 2 347.507 0.849 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC001046040759 766749179 /nfs/dbraw/zinc/74/91/79/766749179.db2.gz KPMXJSHOSUGCLL-IRXDYDNUSA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC001046040759 766749183 /nfs/dbraw/zinc/74/91/83/766749183.db2.gz KPMXJSHOSUGCLL-IRXDYDNUSA-N 2 2 343.475 0.850 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046047057 766776333 /nfs/dbraw/zinc/77/63/33/766776333.db2.gz IBRKUQXMUYJMCH-MRXNPFEDSA-N 2 2 329.448 0.204 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046047057 766776340 /nfs/dbraw/zinc/77/63/40/766776340.db2.gz IBRKUQXMUYJMCH-MRXNPFEDSA-N 2 2 329.448 0.204 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046069668 766869098 /nfs/dbraw/zinc/86/90/98/766869098.db2.gz JRAPZQLCWWLIOM-SJLPKXTDSA-N 2 2 343.475 0.830 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046069668 766869105 /nfs/dbraw/zinc/86/91/05/766869105.db2.gz JRAPZQLCWWLIOM-SJLPKXTDSA-N 2 2 343.475 0.830 20 30 ECEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046069668 766869119 /nfs/dbraw/zinc/86/91/19/766869119.db2.gz JRAPZQLCWWLIOM-SJLPKXTDSA-N 2 2 343.475 0.830 20 30 ECEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046069668 766869126 /nfs/dbraw/zinc/86/91/26/766869126.db2.gz JRAPZQLCWWLIOM-SJLPKXTDSA-N 2 2 343.475 0.830 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)CO2 ZINC001053804093 766892073 /nfs/dbraw/zinc/89/20/73/766892073.db2.gz KJKBXNCLUHRIDY-HNNXBMFYSA-N 2 2 345.447 0.041 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH+](C[C@@H](C)OC)C3)C2)CC1 ZINC001054016152 767606391 /nfs/dbraw/zinc/60/63/91/767606391.db2.gz VVZNUIWMOJTPIN-NVXWUHKLSA-N 2 2 349.475 0.326 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)CC)CC1 ZINC001055595394 769211507 /nfs/dbraw/zinc/21/15/07/769211507.db2.gz UOJRNXSZDQJPHB-INIZCTEOSA-N 2 2 334.464 0.191 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(NC(=O)CC)CC1 ZINC001055595394 769211512 /nfs/dbraw/zinc/21/15/12/769211512.db2.gz UOJRNXSZDQJPHB-INIZCTEOSA-N 2 2 334.464 0.191 20 30 ECEDLP C=CCCC(=O)NC1CC[NH+](CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001055604119 769239061 /nfs/dbraw/zinc/23/90/61/769239061.db2.gz PCMYTEDCGVLBHG-UHFFFAOYSA-N 2 2 347.463 0.936 20 30 ECEDLP C=CCCCC(=O)NCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001055625977 769291373 /nfs/dbraw/zinc/29/13/73/769291373.db2.gz MNBNLXRBUZAIGX-UHFFFAOYSA-N 2 2 347.463 0.936 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001018986088 770485708 /nfs/dbraw/zinc/48/57/08/770485708.db2.gz RBXODOHWTZNYOR-HOCLYGCPSA-N 2 2 330.436 0.086 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC001018986088 770485713 /nfs/dbraw/zinc/48/57/13/770485713.db2.gz RBXODOHWTZNYOR-HOCLYGCPSA-N 2 2 330.436 0.086 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)c3nnc(C)o3)C2)CC1 ZINC001019815150 771830594 /nfs/dbraw/zinc/83/05/94/771830594.db2.gz ABDRFMUQVYGXAU-BBRMVZONSA-N 2 2 345.447 0.975 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001070220497 783686567 /nfs/dbraw/zinc/68/65/67/783686567.db2.gz ILXIRRBPMLIPOL-KFWWJZLASA-N 2 2 341.419 0.265 20 30 ECEDLP C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442247 784084573 /nfs/dbraw/zinc/08/45/73/784084573.db2.gz FTGNDGVHERXGSG-HUUCEWRRSA-N 2 2 344.463 0.621 20 30 ECEDLP C=CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442247 784084576 /nfs/dbraw/zinc/08/45/76/784084576.db2.gz FTGNDGVHERXGSG-HUUCEWRRSA-N 2 2 344.463 0.621 20 30 ECEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924231 784124142 /nfs/dbraw/zinc/12/41/42/784124142.db2.gz JGVOPNQLNGKPAD-OAGGEKHMSA-N 2 2 348.447 0.374 20 30 ECEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924231 784124146 /nfs/dbraw/zinc/12/41/46/784124146.db2.gz JGVOPNQLNGKPAD-OAGGEKHMSA-N 2 2 348.447 0.374 20 30 ECEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070721102 784595944 /nfs/dbraw/zinc/59/59/44/784595944.db2.gz OLOPKFPANAZCII-BZUAXINKSA-N 2 2 344.463 0.702 20 30 ECEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001070721102 784595954 /nfs/dbraw/zinc/59/59/54/784595954.db2.gz OLOPKFPANAZCII-BZUAXINKSA-N 2 2 344.463 0.702 20 30 ECEDLP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071218343 784762672 /nfs/dbraw/zinc/76/26/72/784762672.db2.gz MGPWKUIFNPUWOL-MJGOQNOKSA-N 2 2 349.475 0.424 20 30 ECEDLP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071218343 784762678 /nfs/dbraw/zinc/76/26/78/784762678.db2.gz MGPWKUIFNPUWOL-MJGOQNOKSA-N 2 2 349.475 0.424 20 30 ECEDLP C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)C(=O)C1 ZINC001071272352 784906615 /nfs/dbraw/zinc/90/66/15/784906615.db2.gz MLYRUEODBVJTIB-IRXDYDNUSA-N 2 2 348.491 0.485 20 30 ECEDLP C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)C(=O)C1 ZINC001071272352 784906621 /nfs/dbraw/zinc/90/66/21/784906621.db2.gz MLYRUEODBVJTIB-IRXDYDNUSA-N 2 2 348.491 0.485 20 30 ECEDLP C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C(=O)C1 ZINC001071277563 784924919 /nfs/dbraw/zinc/92/49/19/784924919.db2.gz YSTKNTZJPOSBCS-KRWDZBQOSA-N 2 2 348.491 0.794 20 30 ECEDLP C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C(=O)C1 ZINC001071277563 784924920 /nfs/dbraw/zinc/92/49/20/784924920.db2.gz YSTKNTZJPOSBCS-KRWDZBQOSA-N 2 2 348.491 0.794 20 30 ECEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001074361278 786754935 /nfs/dbraw/zinc/75/49/35/786754935.db2.gz ZMXFUNRDEZTAGH-IAGOWNOFSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001074361278 786754941 /nfs/dbraw/zinc/75/49/41/786754941.db2.gz ZMXFUNRDEZTAGH-IAGOWNOFSA-N 2 2 337.464 0.587 20 30 ECEDLP C#CCC[NH+]1CCN(CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001267575354 837825353 /nfs/dbraw/zinc/82/53/53/837825353.db2.gz BSIWNOOUGVIZKJ-UHFFFAOYSA-N 2 2 331.464 0.787 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001266330488 835712395 /nfs/dbraw/zinc/71/23/95/835712395.db2.gz FOPGCWYICMMRQV-HNNXBMFYSA-N 2 2 339.399 0.721 20 30 ECEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001266330488 835712398 /nfs/dbraw/zinc/71/23/98/835712398.db2.gz FOPGCWYICMMRQV-HNNXBMFYSA-N 2 2 339.399 0.721 20 30 ECEDLP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001266956683 836524991 /nfs/dbraw/zinc/52/49/91/836524991.db2.gz TXUGZTZMSQYRSB-XHSDSOJGSA-N 2 2 325.453 0.537 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](Cc1nnnn1C)C(C)C ZINC001267272813 837115158 /nfs/dbraw/zinc/11/51/58/837115158.db2.gz CBZHKWNAUIBBKV-HNNXBMFYSA-N 2 2 347.467 0.024 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](Cc1nnnn1C)C(C)C ZINC001267272813 837115164 /nfs/dbraw/zinc/11/51/64/837115164.db2.gz CBZHKWNAUIBBKV-HNNXBMFYSA-N 2 2 347.467 0.024 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](Cc1nnnn1C)C(C)C ZINC001267272813 837115167 /nfs/dbraw/zinc/11/51/67/837115167.db2.gz CBZHKWNAUIBBKV-HNNXBMFYSA-N 2 2 347.467 0.024 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](Cc1nnnn1C)C(C)C ZINC001267272813 837115175 /nfs/dbraw/zinc/11/51/75/837115175.db2.gz CBZHKWNAUIBBKV-HNNXBMFYSA-N 2 2 347.467 0.024 20 30 ECEDLP C[N@@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001267593152 837889757 /nfs/dbraw/zinc/88/97/57/837889757.db2.gz DOXSYDXAKKTJGE-CYBMUJFWSA-N 2 2 346.435 0.107 20 30 ECEDLP C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001267593152 837889764 /nfs/dbraw/zinc/88/97/64/837889764.db2.gz DOXSYDXAKKTJGE-CYBMUJFWSA-N 2 2 346.435 0.107 20 30 ECEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(C#N)CCOCC3)CC2)CC1 ZINC000109142818 277027065 /nfs/dbraw/zinc/02/70/65/277027065.db2.gz HYHSSIHHOWKGCZ-UHFFFAOYSA-N 2 2 334.464 0.982 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(NC(=O)C(C)C)CC2)CC1 ZINC000081665574 436351953 /nfs/dbraw/zinc/35/19/53/436351953.db2.gz WFHUVJHREYTZAS-UHFFFAOYSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)CC1 ZINC000091080714 436441597 /nfs/dbraw/zinc/44/15/97/436441597.db2.gz KUJXYJQEWGGSBO-INIZCTEOSA-N 2 2 329.448 0.941 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)CC1 ZINC000091080714 436441600 /nfs/dbraw/zinc/44/16/00/436441600.db2.gz KUJXYJQEWGGSBO-INIZCTEOSA-N 2 2 329.448 0.941 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC(=O)NC(C)C)CC2)CC1 ZINC000057155208 436605985 /nfs/dbraw/zinc/60/59/85/436605985.db2.gz PNUHAVOREDQKHY-UHFFFAOYSA-N 2 2 348.491 0.391 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC(=O)NC(C)C)CC2)CC1 ZINC000057155208 436605989 /nfs/dbraw/zinc/60/59/89/436605989.db2.gz PNUHAVOREDQKHY-UHFFFAOYSA-N 2 2 348.491 0.391 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCN(c2ccccc2F)CC1 ZINC000113947609 436639002 /nfs/dbraw/zinc/63/90/02/436639002.db2.gz SLWQZLUEBTWXPC-OAHLLOKOSA-N 2 2 349.454 0.854 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCN(c2ccccc2F)CC1 ZINC000113947609 436639004 /nfs/dbraw/zinc/63/90/04/436639004.db2.gz SLWQZLUEBTWXPC-OAHLLOKOSA-N 2 2 349.454 0.854 20 30 ECEDLP C=CC[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000121340877 436713355 /nfs/dbraw/zinc/71/33/55/436713355.db2.gz VUIVMEXNZKURQA-UHFFFAOYSA-N 2 2 329.408 0.130 20 30 ECEDLP C=CC[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000121340877 436713358 /nfs/dbraw/zinc/71/33/58/436713358.db2.gz VUIVMEXNZKURQA-UHFFFAOYSA-N 2 2 329.408 0.130 20 30 ECEDLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000328993112 437298593 /nfs/dbraw/zinc/29/85/93/437298593.db2.gz FXGVXYOLHOAYNT-AWEZNQCLSA-N 2 2 326.441 0.075 20 30 ECEDLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329704114 437403041 /nfs/dbraw/zinc/40/30/41/437403041.db2.gz IOPULFAPFKFTRY-DVOMOZLQSA-N 2 2 333.436 0.976 20 30 ECEDLP C[C@H]([C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCCN2C)[NH+]1CCOCC1 ZINC000329993871 437442415 /nfs/dbraw/zinc/44/24/15/437442415.db2.gz YUWVJMXUUSCXHV-YJNKXOJESA-N 2 2 326.441 0.024 20 30 ECEDLP C[C@H]([C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C)[NH+]1CCOCC1 ZINC000329993871 437442416 /nfs/dbraw/zinc/44/24/16/437442416.db2.gz YUWVJMXUUSCXHV-YJNKXOJESA-N 2 2 326.441 0.024 20 30 ECEDLP C[C@H]([C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C)[NH+]1CCOCC1 ZINC000329993871 437442418 /nfs/dbraw/zinc/44/24/18/437442418.db2.gz YUWVJMXUUSCXHV-YJNKXOJESA-N 2 2 326.441 0.024 20 30 ECEDLP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000331240909 437723366 /nfs/dbraw/zinc/72/33/66/437723366.db2.gz MYUXOBHDRPXIRE-HZSPNIEDSA-N 2 2 341.456 0.551 20 30 ECEDLP C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000331240909 437723370 /nfs/dbraw/zinc/72/33/70/437723370.db2.gz MYUXOBHDRPXIRE-HZSPNIEDSA-N 2 2 341.456 0.551 20 30 ECEDLP Cn1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)cc1C#N ZINC000364577526 437817163 /nfs/dbraw/zinc/81/71/63/437817163.db2.gz LRIPNKVHUPWHNF-QGZVFWFLSA-N 2 2 345.447 0.310 20 30 ECEDLP C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC[NH+](CCO)CC1 ZINC000357645842 438033449 /nfs/dbraw/zinc/03/34/49/438033449.db2.gz GDIGUAAYHWXPHZ-UHFFFAOYSA-N 2 2 330.432 0.563 20 30 ECEDLP C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CC[NH+](CCO)CC1 ZINC000357645842 438033453 /nfs/dbraw/zinc/03/34/53/438033453.db2.gz GDIGUAAYHWXPHZ-UHFFFAOYSA-N 2 2 330.432 0.563 20 30 ECEDLP C[N@H+](CCC#N)C[C@H](O)CNc1cccc(C[NH+]2CC[C@@H](O)C2)c1 ZINC000575862670 438757585 /nfs/dbraw/zinc/75/75/85/438757585.db2.gz IXPYZLZOXLHRKQ-QZTJIDSGSA-N 2 2 332.448 0.871 20 30 ECEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(C[NH+]2CC[C@@H](O)C2)c1 ZINC000575862670 438757588 /nfs/dbraw/zinc/75/75/88/438757588.db2.gz IXPYZLZOXLHRKQ-QZTJIDSGSA-N 2 2 332.448 0.871 20 30 ECEDLP C[NH+](CCC#N)C[C@H](O)CNc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000575862670 438757591 /nfs/dbraw/zinc/75/75/91/438757591.db2.gz IXPYZLZOXLHRKQ-QZTJIDSGSA-N 2 2 332.448 0.871 20 30 ECEDLP C[NH+](CCC#N)C[C@H](O)CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000575862670 438757593 /nfs/dbraw/zinc/75/75/93/438757593.db2.gz IXPYZLZOXLHRKQ-QZTJIDSGSA-N 2 2 332.448 0.871 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595869156 438875174 /nfs/dbraw/zinc/87/51/74/438875174.db2.gz VQQPRUMFBDLZGF-QZTJIDSGSA-N 2 2 345.443 0.829 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595869156 438875178 /nfs/dbraw/zinc/87/51/78/438875178.db2.gz VQQPRUMFBDLZGF-QZTJIDSGSA-N 2 2 345.443 0.829 20 30 ECEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000525686555 439212825 /nfs/dbraw/zinc/21/28/25/439212825.db2.gz ANJCGENKBWCMBJ-PKOBYXMFSA-N 2 2 347.507 0.895 20 30 ECEDLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C[C@H](O)CC(C)(C)C#N ZINC000598590081 439282193 /nfs/dbraw/zinc/28/21/93/439282193.db2.gz WWGDLEFGDNPAHA-ZACQAIPSSA-N 2 2 338.496 0.624 20 30 ECEDLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C[C@H](O)CC(C)(C)C#N ZINC000598590081 439282198 /nfs/dbraw/zinc/28/21/98/439282198.db2.gz WWGDLEFGDNPAHA-ZACQAIPSSA-N 2 2 338.496 0.624 20 30 ECEDLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598590081 439282205 /nfs/dbraw/zinc/28/22/05/439282205.db2.gz WWGDLEFGDNPAHA-ZACQAIPSSA-N 2 2 338.496 0.624 20 30 ECEDLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598590081 439282212 /nfs/dbraw/zinc/28/22/12/439282212.db2.gz WWGDLEFGDNPAHA-ZACQAIPSSA-N 2 2 338.496 0.624 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)CC1 ZINC000490865796 439305010 /nfs/dbraw/zinc/30/50/10/439305010.db2.gz HOYNQZHUOHTFTL-IRXDYDNUSA-N 2 2 349.475 0.016 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C3(C)OCCO3)CC2)CC1 ZINC000490866748 439305130 /nfs/dbraw/zinc/30/51/30/439305130.db2.gz SVRRKPMJTGOMTP-UHFFFAOYSA-N 2 2 335.448 0.239 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000491277380 439360075 /nfs/dbraw/zinc/36/00/75/439360075.db2.gz NXHVSETVZQDNQV-UHFFFAOYSA-N 2 2 348.491 0.391 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000491277380 439360080 /nfs/dbraw/zinc/36/00/80/439360080.db2.gz NXHVSETVZQDNQV-UHFFFAOYSA-N 2 2 348.491 0.391 20 30 ECEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000600769321 439701556 /nfs/dbraw/zinc/70/15/56/439701556.db2.gz MJJINQXHBQXEJC-HZPDHXFCSA-N 2 2 329.404 0.871 20 30 ECEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)o1 ZINC000600769321 439701558 /nfs/dbraw/zinc/70/15/58/439701558.db2.gz MJJINQXHBQXEJC-HZPDHXFCSA-N 2 2 329.404 0.871 20 30 ECEDLP Cn1cc(C#N)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000614932267 439790812 /nfs/dbraw/zinc/79/08/12/439790812.db2.gz SINHRESYAQXJPY-UHFFFAOYSA-N 2 2 345.451 0.972 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(NC(=O)CCC)CC2)CC1 ZINC000748816956 579329239 /nfs/dbraw/zinc/32/92/39/579329239.db2.gz XBJBXAMQHDABTP-UHFFFAOYSA-N 2 2 334.464 0.145 20 30 ECEDLP CC(C)[N@H+]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000754253394 579414953 /nfs/dbraw/zinc/41/49/53/579414953.db2.gz DRSCLOBMUMFQPJ-AWEZNQCLSA-N 2 2 341.525 0.889 20 30 ECEDLP CC(C)[N@@H+]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000754253394 579414955 /nfs/dbraw/zinc/41/49/55/579414955.db2.gz DRSCLOBMUMFQPJ-AWEZNQCLSA-N 2 2 341.525 0.889 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000733148601 578332597 /nfs/dbraw/zinc/33/25/97/578332597.db2.gz DPAMHWPKAAMREA-UHFFFAOYSA-N 2 2 348.491 0.536 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000733148601 578332599 /nfs/dbraw/zinc/33/25/99/578332599.db2.gz DPAMHWPKAAMREA-UHFFFAOYSA-N 2 2 348.491 0.536 20 30 ECEDLP C(=[NH+]NCCC[NH+]1CCOCC1)c1cnc(N2CCOCC2)s1 ZINC000799489353 578666255 /nfs/dbraw/zinc/66/62/55/578666255.db2.gz RVYZJKLDEQLXNZ-UHFFFAOYSA-N 2 2 339.465 0.626 20 30 ECEDLP S=C(NCCC[NH+]1CCOCC1)NN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000765556402 579068856 /nfs/dbraw/zinc/06/88/56/579068856.db2.gz MMOKHUXPCLQHTA-AWEZNQCLSA-N 2 2 325.482 0.397 20 30 ECEDLP S=C(NCCC[NH+]1CCOCC1)NN=C1CC[N@H+]2CCC[C@@H]12 ZINC000765556402 579068857 /nfs/dbraw/zinc/06/88/57/579068857.db2.gz MMOKHUXPCLQHTA-AWEZNQCLSA-N 2 2 325.482 0.397 20 30 ECEDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(C(=O)CC#N)CC3)cc2)CC1 ZINC000895066588 586159847 /nfs/dbraw/zinc/15/98/47/586159847.db2.gz VHACPJJTPGVGOJ-UHFFFAOYSA-N 2 2 341.459 0.996 20 30 ECEDLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3nc(C#N)cs3)cn2)CC1 ZINC000897631778 586353385 /nfs/dbraw/zinc/35/33/85/586353385.db2.gz ARIWPTVKXAMPHH-UHFFFAOYSA-N 2 2 329.433 0.846 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000848064788 589276275 /nfs/dbraw/zinc/27/62/75/589276275.db2.gz ZNJDVYSAGKMGIJ-KRWDZBQOSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000848064788 589276276 /nfs/dbraw/zinc/27/62/76/589276276.db2.gz ZNJDVYSAGKMGIJ-KRWDZBQOSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(=O)OC)[C@H]3CCC[C@@H]32)CC1 ZINC000859951104 589730780 /nfs/dbraw/zinc/73/07/80/589730780.db2.gz JOTYHHIUAIKEHO-IKGGRYGDSA-N 2 2 347.459 0.427 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@H]3CCC[C@@H]32)CC1 ZINC000859951104 589730781 /nfs/dbraw/zinc/73/07/81/589730781.db2.gz JOTYHHIUAIKEHO-IKGGRYGDSA-N 2 2 347.459 0.427 20 30 ECEDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000870981428 590042696 /nfs/dbraw/zinc/04/26/96/590042696.db2.gz KBXVSZSCVFJGTG-OAHLLOKOSA-N 2 2 333.411 0.625 20 30 ECEDLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000872218229 590105404 /nfs/dbraw/zinc/10/54/04/590105404.db2.gz LJJUFSSFQGLZEI-GJZGRUSLSA-N 2 2 325.453 0.493 20 30 ECEDLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000872218229 590105407 /nfs/dbraw/zinc/10/54/07/590105407.db2.gz LJJUFSSFQGLZEI-GJZGRUSLSA-N 2 2 325.453 0.493 20 30 ECEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876783578 590415319 /nfs/dbraw/zinc/41/53/19/590415319.db2.gz HGLDGEPSNUCXQK-WBVHZDCISA-N 2 2 327.432 0.107 20 30 ECEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876783578 590415321 /nfs/dbraw/zinc/41/53/21/590415321.db2.gz HGLDGEPSNUCXQK-WBVHZDCISA-N 2 2 327.432 0.107 20 30 ECEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)[C@@H](C)CO1 ZINC000876960721 590429779 /nfs/dbraw/zinc/42/97/79/590429779.db2.gz LLYFBIZKTOBVLU-PMUMKWKESA-N 2 2 342.443 0.970 20 30 ECEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)[C@@H](C)CO1 ZINC000876960721 590429781 /nfs/dbraw/zinc/42/97/81/590429781.db2.gz LLYFBIZKTOBVLU-PMUMKWKESA-N 2 2 342.443 0.970 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000877081957 590437385 /nfs/dbraw/zinc/43/73/85/590437385.db2.gz UVZZQVWYCXIPDF-GJZGRUSLSA-N 2 2 338.839 0.869 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000877081957 590437388 /nfs/dbraw/zinc/43/73/88/590437388.db2.gz UVZZQVWYCXIPDF-GJZGRUSLSA-N 2 2 338.839 0.869 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000884046769 590716869 /nfs/dbraw/zinc/71/68/69/590716869.db2.gz RNHAISADTGFNEK-IRXDYDNUSA-N 2 2 336.480 0.740 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000884046769 590716874 /nfs/dbraw/zinc/71/68/74/590716874.db2.gz RNHAISADTGFNEK-IRXDYDNUSA-N 2 2 336.480 0.740 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000884211590 590777216 /nfs/dbraw/zinc/77/72/16/590777216.db2.gz IXFJPGWWTJQDFL-AWEZNQCLSA-N 2 2 348.403 0.185 20 30 ECEDLP N#CC1(C[C@H](O)C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)CCC1 ZINC000886081150 590792889 /nfs/dbraw/zinc/79/28/89/590792889.db2.gz JJPNHCADJORAQE-JKSUJKDBSA-N 2 2 334.464 0.845 20 30 ECEDLP N#CC1(C[C@H](O)C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CCC1 ZINC000886081150 590792891 /nfs/dbraw/zinc/79/28/91/590792891.db2.gz JJPNHCADJORAQE-JKSUJKDBSA-N 2 2 334.464 0.845 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000890376052 591154715 /nfs/dbraw/zinc/15/47/15/591154715.db2.gz ADLYKCVZNQPLQK-DLBZAZTESA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000890376052 591154717 /nfs/dbraw/zinc/15/47/17/591154717.db2.gz ADLYKCVZNQPLQK-DLBZAZTESA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000937982808 609436244 /nfs/dbraw/zinc/43/62/44/609436244.db2.gz LCOKMZYFHIMZIC-HOTGVXAUSA-N 2 2 343.431 0.006 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000937982808 609436246 /nfs/dbraw/zinc/43/62/46/609436246.db2.gz LCOKMZYFHIMZIC-HOTGVXAUSA-N 2 2 343.431 0.006 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000941677929 610450994 /nfs/dbraw/zinc/45/09/94/610450994.db2.gz YRIDLMBZTQDCPB-IAGOWNOFSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950431428 612016403 /nfs/dbraw/zinc/01/64/03/612016403.db2.gz DDYANHNYRKRGRZ-INIZCTEOSA-N 2 2 343.431 0.015 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@H](C)c3nc(C)no3)C2)CC1 ZINC000970788948 733941643 /nfs/dbraw/zinc/94/16/43/733941643.db2.gz RMTJHCPBJSYXNS-CZUORRHYSA-N 2 2 345.447 0.975 20 30 ECEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC000972410567 736144084 /nfs/dbraw/zinc/14/40/84/736144084.db2.gz SRZYBEYUFKOVMI-HKUYNNGSSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000972410567 736144085 /nfs/dbraw/zinc/14/40/85/736144085.db2.gz SRZYBEYUFKOVMI-HKUYNNGSSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000972410567 736144088 /nfs/dbraw/zinc/14/40/88/736144088.db2.gz SRZYBEYUFKOVMI-HKUYNNGSSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000972410567 736144089 /nfs/dbraw/zinc/14/40/89/736144089.db2.gz SRZYBEYUFKOVMI-HKUYNNGSSA-N 2 2 333.476 0.901 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3noc(CC)n3)C2)CC1 ZINC001023128619 736524014 /nfs/dbraw/zinc/52/40/14/736524014.db2.gz MPCPCWWFOSRYDW-GASCZTMLSA-N 2 2 345.447 0.714 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104731843 739559357 /nfs/dbraw/zinc/55/93/57/739559357.db2.gz ASEYBRDNFSNCKM-QLFBSQMISA-N 2 2 345.447 0.164 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104731844 739559374 /nfs/dbraw/zinc/55/93/74/739559374.db2.gz ASEYBRDNFSNCKM-RBSFLKMASA-N 2 2 345.447 0.164 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)C1=O ZINC001026568520 741566403 /nfs/dbraw/zinc/56/64/03/741566403.db2.gz KSNUJYLFNBSRKQ-XUJLQICISA-N 2 2 345.447 0.756 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)nn1 ZINC001105312497 741729831 /nfs/dbraw/zinc/72/98/31/741729831.db2.gz OTWXBZBPBBJXOS-OAHLLOKOSA-N 2 2 344.463 0.506 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)nn1 ZINC001105312497 741729833 /nfs/dbraw/zinc/72/98/33/741729833.db2.gz OTWXBZBPBBJXOS-OAHLLOKOSA-N 2 2 344.463 0.506 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001026894282 742040689 /nfs/dbraw/zinc/04/06/89/742040689.db2.gz ZKTMXHFGXKFBPB-GJZGRUSLSA-N 2 2 330.436 0.149 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnc(C)[nH]2)C1 ZINC001026894282 742040693 /nfs/dbraw/zinc/04/06/93/742040693.db2.gz ZKTMXHFGXKFBPB-GJZGRUSLSA-N 2 2 330.436 0.149 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC3CC[NH+](C)CC3)C2)nn1 ZINC001105339363 744387096 /nfs/dbraw/zinc/38/70/96/744387096.db2.gz PCACXMIZGVOEOM-UHFFFAOYSA-N 2 2 344.463 0.506 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001000559486 745594361 /nfs/dbraw/zinc/59/43/61/745594361.db2.gz HTXMIEOGACDNOV-UONOGXRCSA-N 2 2 331.420 0.320 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978625327 746520489 /nfs/dbraw/zinc/52/04/89/746520489.db2.gz AWPDCFYFWODOGD-OKYOBFRVSA-N 2 2 345.487 0.947 20 30 ECEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978625327 746520490 /nfs/dbraw/zinc/52/04/90/746520490.db2.gz AWPDCFYFWODOGD-OKYOBFRVSA-N 2 2 345.487 0.947 20 30 ECEDLP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978625327 746520492 /nfs/dbraw/zinc/52/04/92/746520492.db2.gz AWPDCFYFWODOGD-OKYOBFRVSA-N 2 2 345.487 0.947 20 30 ECEDLP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978625327 746520493 /nfs/dbraw/zinc/52/04/93/746520493.db2.gz AWPDCFYFWODOGD-OKYOBFRVSA-N 2 2 345.487 0.947 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001029758475 748272471 /nfs/dbraw/zinc/27/24/71/748272471.db2.gz ZBIRNVICCCQWGC-CVEARBPZSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001029758475 748272472 /nfs/dbraw/zinc/27/24/72/748272472.db2.gz ZBIRNVICCCQWGC-CVEARBPZSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2nncn2C)C1 ZINC001029758475 748272477 /nfs/dbraw/zinc/27/24/77/748272477.db2.gz ZBIRNVICCCQWGC-CVEARBPZSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)Cc2nncn2C)C1 ZINC001029758475 748272480 /nfs/dbraw/zinc/27/24/80/748272480.db2.gz ZBIRNVICCCQWGC-CVEARBPZSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)nn1 ZINC001098732843 749073180 /nfs/dbraw/zinc/07/31/80/749073180.db2.gz AAGXWWUXANDKBT-MRXNPFEDSA-N 2 2 346.479 0.752 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)nn1 ZINC001098732843 749073184 /nfs/dbraw/zinc/07/31/84/749073184.db2.gz AAGXWWUXANDKBT-MRXNPFEDSA-N 2 2 346.479 0.752 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)Cc3c[nH+]cn3C)CC2)C1=O ZINC001003972434 749094767 /nfs/dbraw/zinc/09/47/67/749094767.db2.gz XCVFXAZDXDIRLM-MRXNPFEDSA-N 2 2 345.447 0.330 20 30 ECEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N[C@H]1CCC(=O)N(C)C1 ZINC000262808627 749835365 /nfs/dbraw/zinc/83/53/65/749835365.db2.gz UHKRYXXYBZYVTO-ZDUSSCGKSA-N 2 2 327.498 0.211 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001030019225 752630327 /nfs/dbraw/zinc/63/03/27/752630327.db2.gz XKHNLPGFGOGBTF-BPUTZDHNSA-N 2 2 344.463 0.852 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nnc(C)[nH]2)C1 ZINC001030019225 752630332 /nfs/dbraw/zinc/63/03/32/752630332.db2.gz XKHNLPGFGOGBTF-BPUTZDHNSA-N 2 2 344.463 0.852 20 30 ECEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261781237 753566504 /nfs/dbraw/zinc/56/65/04/753566504.db2.gz QBEQZVCSLHRVMW-MRXNPFEDSA-N 3 2 334.468 0.421 20 30 ECEDLP C[NH+]=C(NCCn1ccnc1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261781237 753566510 /nfs/dbraw/zinc/56/65/10/753566510.db2.gz QBEQZVCSLHRVMW-MRXNPFEDSA-N 2 2 334.468 0.421 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001098685305 753765635 /nfs/dbraw/zinc/76/56/35/753765635.db2.gz FCXZCVNQNKGVAN-JKSUJKDBSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001098685305 753765639 /nfs/dbraw/zinc/76/56/39/753765639.db2.gz FCXZCVNQNKGVAN-JKSUJKDBSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)nn1 ZINC001105377146 754472857 /nfs/dbraw/zinc/47/28/57/754472857.db2.gz RNUAYANQOQDGLI-ZIAGYGMSSA-N 2 2 330.436 0.257 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C[C@@H]2C)CC1 ZINC000989828554 754497284 /nfs/dbraw/zinc/49/72/84/754497284.db2.gz FQPGYZRQMCRVSD-ZFWWWQNUSA-N 2 2 331.420 0.494 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nnc(C)o3)C[C@@H]2C)CC1 ZINC000989828635 754497331 /nfs/dbraw/zinc/49/73/31/754497331.db2.gz GXSPBNLLDAEYIG-BBRMVZONSA-N 2 2 345.447 0.802 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)nn1 ZINC001105377272 754519986 /nfs/dbraw/zinc/51/99/86/754519986.db2.gz XAFIQQLGCYKMCB-HUUCEWRRSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001083535984 755975857 /nfs/dbraw/zinc/97/58/57/755975857.db2.gz XWLKWNARIUYNHE-IKGGRYGDSA-N 2 2 333.476 0.682 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001083535984 755975862 /nfs/dbraw/zinc/97/58/62/755975862.db2.gz XWLKWNARIUYNHE-IKGGRYGDSA-N 2 2 333.476 0.682 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001083535984 755975866 /nfs/dbraw/zinc/97/58/66/755975866.db2.gz XWLKWNARIUYNHE-IKGGRYGDSA-N 2 2 333.476 0.682 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@@H]1O ZINC001083535984 755975869 /nfs/dbraw/zinc/97/58/69/755975869.db2.gz XWLKWNARIUYNHE-IKGGRYGDSA-N 2 2 333.476 0.682 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428019 756125354 /nfs/dbraw/zinc/12/53/54/756125354.db2.gz OLKDHPQFODTMJE-SJORKVTESA-N 2 2 328.416 0.579 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428019 756125359 /nfs/dbraw/zinc/12/53/59/756125359.db2.gz OLKDHPQFODTMJE-SJORKVTESA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428019 756125365 /nfs/dbraw/zinc/12/53/65/756125365.db2.gz OLKDHPQFODTMJE-SJORKVTESA-N 2 2 328.416 0.579 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001010428019 756125367 /nfs/dbraw/zinc/12/53/67/756125367.db2.gz OLKDHPQFODTMJE-SJORKVTESA-N 2 2 328.416 0.579 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C)no3)C[C@@H]2C1 ZINC001048868567 757232516 /nfs/dbraw/zinc/23/25/16/757232516.db2.gz FDXKLSWFTYBQPE-XHSDSOJGSA-N 2 2 343.431 0.366 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C)no3)C[C@@H]2C1 ZINC001048868567 757232523 /nfs/dbraw/zinc/23/25/23/757232523.db2.gz FDXKLSWFTYBQPE-XHSDSOJGSA-N 2 2 343.431 0.366 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nc(C)no3)C[C@@H]2C1 ZINC001048868567 757232531 /nfs/dbraw/zinc/23/25/31/757232531.db2.gz FDXKLSWFTYBQPE-XHSDSOJGSA-N 2 2 343.431 0.366 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nc(C)no3)C[C@@H]2C1 ZINC001048868567 757232538 /nfs/dbraw/zinc/23/25/38/757232538.db2.gz FDXKLSWFTYBQPE-XHSDSOJGSA-N 2 2 343.431 0.366 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001076917414 757588668 /nfs/dbraw/zinc/58/86/68/757588668.db2.gz GJNVQGYMMRAKIR-HNNXBMFYSA-N 2 2 345.447 0.239 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](CC)[NH+](CC)CC)nn2)C1 ZINC001107208999 757683294 /nfs/dbraw/zinc/68/32/94/757683294.db2.gz BWLQIONEDHRIDQ-KRWDZBQOSA-N 2 2 346.479 0.895 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cc(C)on2)C1 ZINC001051660490 762618501 /nfs/dbraw/zinc/61/85/01/762618501.db2.gz VHNKQSPHUYYYDM-SJORKVTESA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cc(C)on2)C1 ZINC001051660490 762618508 /nfs/dbraw/zinc/61/85/08/762618508.db2.gz VHNKQSPHUYYYDM-SJORKVTESA-N 2 2 346.431 0.398 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cccs2)C[C@H]1O ZINC001077159231 758377666 /nfs/dbraw/zinc/37/76/66/758377666.db2.gz UPVHAYLKYRABQF-IXDOHACOSA-N 2 2 347.484 0.550 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cccs2)C[C@H]1O ZINC001077159231 758377679 /nfs/dbraw/zinc/37/76/79/758377679.db2.gz UPVHAYLKYRABQF-IXDOHACOSA-N 2 2 347.484 0.550 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cccs2)C[C@H]1O ZINC001077159231 758377691 /nfs/dbraw/zinc/37/76/91/758377691.db2.gz UPVHAYLKYRABQF-IXDOHACOSA-N 2 2 347.484 0.550 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cccs2)C[C@H]1O ZINC001077159231 758377698 /nfs/dbraw/zinc/37/76/98/758377698.db2.gz UPVHAYLKYRABQF-IXDOHACOSA-N 2 2 347.484 0.550 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001022220482 758439385 /nfs/dbraw/zinc/43/93/85/758439385.db2.gz GGAZLAMZCSBOAH-XQLPTFJDSA-N 2 2 330.436 0.211 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nncn2C)C1 ZINC001022220482 758439397 /nfs/dbraw/zinc/43/93/97/758439397.db2.gz GGAZLAMZCSBOAH-XQLPTFJDSA-N 2 2 330.436 0.211 20 30 ECEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)cc2C1 ZINC001054292814 767901683 /nfs/dbraw/zinc/90/16/83/767901683.db2.gz VESBOWOWMWFNCH-GOSISDBHSA-N 2 2 327.428 0.972 20 30 ECEDLP C#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)cc2C1 ZINC001054292814 767901687 /nfs/dbraw/zinc/90/16/87/767901687.db2.gz VESBOWOWMWFNCH-GOSISDBHSA-N 2 2 327.428 0.972 20 30 ECEDLP C#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](CC)CCO3)cc2C1 ZINC001054292814 767901690 /nfs/dbraw/zinc/90/16/90/767901690.db2.gz VESBOWOWMWFNCH-GOSISDBHSA-N 2 2 327.428 0.972 20 30 ECEDLP C#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[NH+](CC)CCO3)cc2C1 ZINC001054292814 767901695 /nfs/dbraw/zinc/90/16/95/767901695.db2.gz VESBOWOWMWFNCH-GOSISDBHSA-N 2 2 327.428 0.972 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083722991 767954801 /nfs/dbraw/zinc/95/48/01/767954801.db2.gz QDFVUOAVLPPCOP-SQNIBIBYSA-N 2 2 333.476 0.968 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083722991 767954805 /nfs/dbraw/zinc/95/48/05/767954805.db2.gz QDFVUOAVLPPCOP-SQNIBIBYSA-N 2 2 333.476 0.968 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083722991 767954810 /nfs/dbraw/zinc/95/48/10/767954810.db2.gz QDFVUOAVLPPCOP-SQNIBIBYSA-N 2 2 333.476 0.968 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083722991 767954813 /nfs/dbraw/zinc/95/48/13/767954813.db2.gz QDFVUOAVLPPCOP-SQNIBIBYSA-N 2 2 333.476 0.968 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001051157882 761582889 /nfs/dbraw/zinc/58/28/89/761582889.db2.gz BIVAYYYLGUTVLG-KRWDZBQOSA-N 2 2 349.479 0.842 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001051157882 761582895 /nfs/dbraw/zinc/58/28/95/761582895.db2.gz BIVAYYYLGUTVLG-KRWDZBQOSA-N 2 2 349.479 0.842 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCO)CCC1(F)F ZINC001046947490 763439884 /nfs/dbraw/zinc/43/98/84/763439884.db2.gz RWLMXPDXWQPYCY-KGLIPLIRSA-N 2 2 329.391 0.150 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCO)CCC1(F)F ZINC001046947490 763439889 /nfs/dbraw/zinc/43/98/89/763439889.db2.gz RWLMXPDXWQPYCY-KGLIPLIRSA-N 2 2 329.391 0.150 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCC1(F)F ZINC001046947490 763439897 /nfs/dbraw/zinc/43/98/97/763439897.db2.gz RWLMXPDXWQPYCY-KGLIPLIRSA-N 2 2 329.391 0.150 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCO)CCC1(F)F ZINC001046947490 763439899 /nfs/dbraw/zinc/43/98/99/763439899.db2.gz RWLMXPDXWQPYCY-KGLIPLIRSA-N 2 2 329.391 0.150 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052026253 763619121 /nfs/dbraw/zinc/61/91/21/763619121.db2.gz COWCPWHBFAIJLI-ZWKOTPCHSA-N 2 2 330.476 0.180 20 30 ECEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052035622 763643618 /nfs/dbraw/zinc/64/36/18/763643618.db2.gz LWNLRTOVNQYCQE-DLBZAZTESA-N 2 2 333.480 0.603 20 30 ECEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052035622 763643624 /nfs/dbraw/zinc/64/36/24/763643624.db2.gz LWNLRTOVNQYCQE-DLBZAZTESA-N 2 2 333.480 0.603 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036888 763652487 /nfs/dbraw/zinc/65/24/87/763652487.db2.gz WXHFZOBOOCOLIO-ROUUACIJSA-N 2 2 332.492 0.568 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001047415000 764273945 /nfs/dbraw/zinc/27/39/45/764273945.db2.gz AVZAXIPEIDFGRQ-OWSLCNJRSA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001047415000 764273952 /nfs/dbraw/zinc/27/39/52/764273952.db2.gz AVZAXIPEIDFGRQ-OWSLCNJRSA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001047415000 764273957 /nfs/dbraw/zinc/27/39/57/764273957.db2.gz AVZAXIPEIDFGRQ-OWSLCNJRSA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@H]2CCCCO2)C[C@@H]1O ZINC001047415000 764273963 /nfs/dbraw/zinc/27/39/63/764273963.db2.gz AVZAXIPEIDFGRQ-OWSLCNJRSA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC[C@@H](C)F)C[C@@H]1O ZINC001047414989 764274009 /nfs/dbraw/zinc/27/40/09/764274009.db2.gz AJVWLXDSIVVDDK-UGUYLWEFSA-N 2 2 325.428 0.336 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC[C@@H](C)F)C[C@@H]1O ZINC001047414989 764274012 /nfs/dbraw/zinc/27/40/12/764274012.db2.gz AJVWLXDSIVVDDK-UGUYLWEFSA-N 2 2 325.428 0.336 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC[C@@H](C)F)C[C@@H]1O ZINC001047414989 764274017 /nfs/dbraw/zinc/27/40/17/764274017.db2.gz AJVWLXDSIVVDDK-UGUYLWEFSA-N 2 2 325.428 0.336 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC[C@@H](C)F)C[C@@H]1O ZINC001047414989 764274023 /nfs/dbraw/zinc/27/40/23/764274023.db2.gz AJVWLXDSIVVDDK-UGUYLWEFSA-N 2 2 325.428 0.336 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC[C@H](C)F)C[C@@H]1O ZINC001047414990 764274227 /nfs/dbraw/zinc/27/42/27/764274227.db2.gz AJVWLXDSIVVDDK-VGWMRTNUSA-N 2 2 325.428 0.336 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC[C@H](C)F)C[C@@H]1O ZINC001047414990 764274230 /nfs/dbraw/zinc/27/42/30/764274230.db2.gz AJVWLXDSIVVDDK-VGWMRTNUSA-N 2 2 325.428 0.336 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC[C@H](C)F)C[C@@H]1O ZINC001047414990 764274235 /nfs/dbraw/zinc/27/42/35/764274235.db2.gz AJVWLXDSIVVDDK-VGWMRTNUSA-N 2 2 325.428 0.336 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC[C@H](C)F)C[C@@H]1O ZINC001047414990 764274241 /nfs/dbraw/zinc/27/42/41/764274241.db2.gz AJVWLXDSIVVDDK-VGWMRTNUSA-N 2 2 325.428 0.336 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001015713353 765217428 /nfs/dbraw/zinc/21/74/28/765217428.db2.gz NUVKLRNMQLUGOI-JKSUJKDBSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001015713353 765217434 /nfs/dbraw/zinc/21/74/34/765217434.db2.gz NUVKLRNMQLUGOI-JKSUJKDBSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001015713353 765217436 /nfs/dbraw/zinc/21/74/36/765217436.db2.gz NUVKLRNMQLUGOI-JKSUJKDBSA-N 2 2 348.491 0.696 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001015713353 765217442 /nfs/dbraw/zinc/21/74/42/765217442.db2.gz NUVKLRNMQLUGOI-JKSUJKDBSA-N 2 2 348.491 0.696 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304923 766080035 /nfs/dbraw/zinc/08/00/35/766080035.db2.gz ISODZJDOLVWICE-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304923 766080041 /nfs/dbraw/zinc/08/00/41/766080041.db2.gz ISODZJDOLVWICE-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304923 766080045 /nfs/dbraw/zinc/08/00/45/766080045.db2.gz ISODZJDOLVWICE-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016304923 766080051 /nfs/dbraw/zinc/08/00/51/766080051.db2.gz ISODZJDOLVWICE-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001077555476 766402329 /nfs/dbraw/zinc/40/23/29/766402329.db2.gz QDFVUOAVLPPCOP-KZNAEPCWSA-N 2 2 333.476 0.968 20 30 ECEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001077555476 766402339 /nfs/dbraw/zinc/40/23/39/766402339.db2.gz QDFVUOAVLPPCOP-KZNAEPCWSA-N 2 2 333.476 0.968 20 30 ECEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001077555476 766402345 /nfs/dbraw/zinc/40/23/45/766402345.db2.gz QDFVUOAVLPPCOP-KZNAEPCWSA-N 2 2 333.476 0.968 20 30 ECEDLP N#CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC001046041393 766751525 /nfs/dbraw/zinc/75/15/25/766751525.db2.gz ICDGVIXUKLXXJP-INIZCTEOSA-N 2 2 338.415 0.690 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046046785 766776572 /nfs/dbraw/zinc/77/65/72/766776572.db2.gz DJIPDCHOIDDDDG-KRWDZBQOSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC001046046785 766776579 /nfs/dbraw/zinc/77/65/79/766776579.db2.gz DJIPDCHOIDDDDG-KRWDZBQOSA-N 2 2 343.475 0.595 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001046076656 766904135 /nfs/dbraw/zinc/90/41/35/766904135.db2.gz OFFHHMUPVVARJG-INIZCTEOSA-N 2 2 343.475 0.929 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001046076656 766904137 /nfs/dbraw/zinc/90/41/37/766904137.db2.gz OFFHHMUPVVARJG-INIZCTEOSA-N 2 2 343.475 0.929 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218007 767082803 /nfs/dbraw/zinc/08/28/03/767082803.db2.gz JAXNMSLHMFERFB-IEBWSBKVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218007 767082809 /nfs/dbraw/zinc/08/28/09/767082809.db2.gz JAXNMSLHMFERFB-IEBWSBKVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218007 767082815 /nfs/dbraw/zinc/08/28/15/767082815.db2.gz JAXNMSLHMFERFB-IEBWSBKVSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001046218007 767082821 /nfs/dbraw/zinc/08/28/21/767082821.db2.gz JAXNMSLHMFERFB-IEBWSBKVSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106712656 768700572 /nfs/dbraw/zinc/70/05/72/768700572.db2.gz GUNNUOYLRWEIMM-BZUAXINKSA-N 2 2 347.463 0.821 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)nn1 ZINC001098790553 768767861 /nfs/dbraw/zinc/76/78/61/768767861.db2.gz VNMVXPTZSDAOLA-KRWDZBQOSA-N 2 2 344.463 0.650 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001018985751 770483843 /nfs/dbraw/zinc/48/38/43/770483843.db2.gz COUKWJXYWSWLHX-RDJZCZTQSA-N 2 2 329.448 0.517 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001018985751 770483849 /nfs/dbraw/zinc/48/38/49/770483849.db2.gz COUKWJXYWSWLHX-RDJZCZTQSA-N 2 2 329.448 0.517 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001106874623 770504500 /nfs/dbraw/zinc/50/45/00/770504500.db2.gz NCQAMFWMJXLQGY-ZIAGYGMSSA-N 2 2 347.463 0.674 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnns1 ZINC001045073493 774936507 /nfs/dbraw/zinc/93/65/07/774936507.db2.gz HMBDGCLUERZZDG-ZFWWWQNUSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnns1 ZINC001045073493 774936511 /nfs/dbraw/zinc/93/65/11/774936511.db2.gz HMBDGCLUERZZDG-ZFWWWQNUSA-N 2 2 333.461 0.716 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102286 790611885 /nfs/dbraw/zinc/61/18/85/790611885.db2.gz AOLXVROSBSUNAF-ZACQAIPSSA-N 2 2 344.463 0.517 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102286 790611894 /nfs/dbraw/zinc/61/18/94/790611894.db2.gz AOLXVROSBSUNAF-ZACQAIPSSA-N 2 2 344.463 0.517 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102286 790611898 /nfs/dbraw/zinc/61/18/98/790611898.db2.gz AOLXVROSBSUNAF-ZACQAIPSSA-N 2 2 344.463 0.517 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001070102286 790611904 /nfs/dbraw/zinc/61/19/04/790611904.db2.gz AOLXVROSBSUNAF-ZACQAIPSSA-N 2 2 344.463 0.517 20 30 ECEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001070185254 783615800 /nfs/dbraw/zinc/61/58/00/783615800.db2.gz LXLCUJLXWVQECN-OLZOCXBDSA-N 2 2 349.826 0.728 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001070272434 783774761 /nfs/dbraw/zinc/77/47/61/783774761.db2.gz MIHUSURUYWZGAY-YUELXQCFSA-N 2 2 341.419 0.649 20 30 ECEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442573 784085136 /nfs/dbraw/zinc/08/51/36/784085136.db2.gz JTLLYBUTQKLFCX-HUUCEWRRSA-N 2 2 342.447 0.068 20 30 ECEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070442573 784085143 /nfs/dbraw/zinc/08/51/43/784085143.db2.gz JTLLYBUTQKLFCX-HUUCEWRRSA-N 2 2 342.447 0.068 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001070970685 784271509 /nfs/dbraw/zinc/27/15/09/784271509.db2.gz RXLHKXFKYSVQFZ-UHFFFAOYSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001070970685 784271512 /nfs/dbraw/zinc/27/15/12/784271512.db2.gz RXLHKXFKYSVQFZ-UHFFFAOYSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001070970685 784271518 /nfs/dbraw/zinc/27/15/18/784271518.db2.gz RXLHKXFKYSVQFZ-UHFFFAOYSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001070970685 784271524 /nfs/dbraw/zinc/27/15/24/784271524.db2.gz RXLHKXFKYSVQFZ-UHFFFAOYSA-N 2 2 336.480 0.697 20 30 ECEDLP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001071015368 784420295 /nfs/dbraw/zinc/42/02/95/784420295.db2.gz AKBZUIRZQZGOIH-UHFFFAOYSA-N 2 2 333.436 0.189 20 30 ECEDLP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001071015368 784420302 /nfs/dbraw/zinc/42/03/02/784420302.db2.gz AKBZUIRZQZGOIH-UHFFFAOYSA-N 2 2 333.436 0.189 20 30 ECEDLP C=CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C(=O)C1 ZINC001071258268 784861969 /nfs/dbraw/zinc/86/19/69/784861969.db2.gz BTBGVWOFDFIGJB-SJORKVTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCC[NH+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258268 784861978 /nfs/dbraw/zinc/86/19/78/784861978.db2.gz BTBGVWOFDFIGJB-SJORKVTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258268 784861986 /nfs/dbraw/zinc/86/19/86/784861986.db2.gz BTBGVWOFDFIGJB-SJORKVTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258268 784861992 /nfs/dbraw/zinc/86/19/92/784861992.db2.gz BTBGVWOFDFIGJB-SJORKVTESA-N 2 2 348.491 0.792 20 30 ECEDLP C#CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C(=O)C1 ZINC001071277371 784923658 /nfs/dbraw/zinc/92/36/58/784923658.db2.gz SDZLAIJBTXMHES-IRXDYDNUSA-N 2 2 346.475 0.097 20 30 ECEDLP C#CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C(=O)C1 ZINC001071277371 784923661 /nfs/dbraw/zinc/92/36/61/784923661.db2.gz SDZLAIJBTXMHES-IRXDYDNUSA-N 2 2 346.475 0.097 20 30 ECEDLP C#CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277371 784923666 /nfs/dbraw/zinc/92/36/66/784923666.db2.gz SDZLAIJBTXMHES-IRXDYDNUSA-N 2 2 346.475 0.097 20 30 ECEDLP C#CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C(=O)C1 ZINC001071277371 784923668 /nfs/dbraw/zinc/92/36/68/784923668.db2.gz SDZLAIJBTXMHES-IRXDYDNUSA-N 2 2 346.475 0.097 20 30 ECEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001073690759 786976791 /nfs/dbraw/zinc/97/67/91/786976791.db2.gz GNXRMUYDLRZLHD-MRXNPFEDSA-N 2 2 339.399 0.721 20 30 ECEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001073690759 786976796 /nfs/dbraw/zinc/97/67/96/786976796.db2.gz GNXRMUYDLRZLHD-MRXNPFEDSA-N 2 2 339.399 0.721 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)C1=O ZINC001074918394 788550898 /nfs/dbraw/zinc/55/08/98/788550898.db2.gz MEYKZANNZWKFND-AEGPPILISA-N 2 2 331.420 0.318 20 30 ECEDLP C#CC[NH2+][C@H]1CCCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001075417590 789346041 /nfs/dbraw/zinc/34/60/41/789346041.db2.gz LDVJOXLMIXDOKE-WMZOPIPTSA-N 2 2 330.432 0.892 20 30 ECEDLP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001266415492 835820790 /nfs/dbraw/zinc/82/07/90/835820790.db2.gz VXGFMSWZWSGESI-HOTGVXAUSA-N 2 2 330.432 0.580 20 30 ECEDLP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001266415822 835821159 /nfs/dbraw/zinc/82/11/59/835821159.db2.gz ZHHHIAMQQVHDPA-RDJZCZTQSA-N 2 2 330.432 0.580 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001266749754 836239008 /nfs/dbraw/zinc/23/90/08/836239008.db2.gz WPGNNSZRYMPBBZ-UONOGXRCSA-N 2 2 333.436 0.184 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001267134215 836834058 /nfs/dbraw/zinc/83/40/58/836834058.db2.gz DULXJJDJSKFVEL-HIFRSBDPSA-N 2 2 347.463 0.549 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NCC(C)C ZINC001267200133 836972415 /nfs/dbraw/zinc/97/24/15/836972415.db2.gz FQWNJGZZQDHYEW-CVEARBPZSA-N 2 2 336.480 0.293 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)C(=O)NCC(C)C ZINC001267200133 836972426 /nfs/dbraw/zinc/97/24/26/836972426.db2.gz FQWNJGZZQDHYEW-CVEARBPZSA-N 2 2 336.480 0.293 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(=O)NCC(C)C ZINC001267200133 836972437 /nfs/dbraw/zinc/97/24/37/836972437.db2.gz FQWNJGZZQDHYEW-CVEARBPZSA-N 2 2 336.480 0.293 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(=O)NCC(C)C ZINC001267200133 836972447 /nfs/dbraw/zinc/97/24/47/836972447.db2.gz FQWNJGZZQDHYEW-CVEARBPZSA-N 2 2 336.480 0.293 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC(C)C)C1 ZINC001267296897 837156650 /nfs/dbraw/zinc/15/66/50/837156650.db2.gz XKKRIWNDKQXTKT-SJORKVTESA-N 2 2 348.491 0.294 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC(C)C)C1 ZINC001267296897 837156655 /nfs/dbraw/zinc/15/66/55/837156655.db2.gz XKKRIWNDKQXTKT-SJORKVTESA-N 2 2 348.491 0.294 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)NCC(C)C)C1 ZINC001267296897 837156664 /nfs/dbraw/zinc/15/66/64/837156664.db2.gz XKKRIWNDKQXTKT-SJORKVTESA-N 2 2 348.491 0.294 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)NCC(C)C)C1 ZINC001267296897 837156668 /nfs/dbraw/zinc/15/66/68/837156668.db2.gz XKKRIWNDKQXTKT-SJORKVTESA-N 2 2 348.491 0.294 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267768111 838507060 /nfs/dbraw/zinc/50/70/60/838507060.db2.gz MFQQERBSLMHPMA-DLBZAZTESA-N 2 2 348.491 0.814 20 30 ECEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267768111 838507061 /nfs/dbraw/zinc/50/70/61/838507061.db2.gz MFQQERBSLMHPMA-DLBZAZTESA-N 2 2 348.491 0.814 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267768111 838507063 /nfs/dbraw/zinc/50/70/63/838507063.db2.gz MFQQERBSLMHPMA-DLBZAZTESA-N 2 2 348.491 0.814 20 30 ECEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001267936938 838818822 /nfs/dbraw/zinc/81/88/22/838818822.db2.gz DVLGFZLROKKJRY-CVEARBPZSA-N 2 2 327.444 0.897 20 30 ECEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001267936938 838818829 /nfs/dbraw/zinc/81/88/29/838818829.db2.gz DVLGFZLROKKJRY-CVEARBPZSA-N 2 2 327.444 0.897 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129444785 223056871 /nfs/dbraw/zinc/05/68/71/223056871.db2.gz PGWJSZRRCQPAEM-QZTJIDSGSA-N 2 2 345.443 0.952 20 30 ECEDLP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129444785 223056873 /nfs/dbraw/zinc/05/68/73/223056873.db2.gz PGWJSZRRCQPAEM-QZTJIDSGSA-N 2 2 345.443 0.952 20 30 ECEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)cc1 ZINC000376269359 268075197 /nfs/dbraw/zinc/07/51/97/268075197.db2.gz HVRMOQKPMXYAEJ-GOSISDBHSA-N 2 2 342.443 0.971 20 30 ECEDLP C[N@@H+]1CCO[C@@H]2CCN(C([O-])=[NH+]C[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC000328847426 277120039 /nfs/dbraw/zinc/12/00/39/277120039.db2.gz AQZFLURZGCNMDP-SOUVJXGZSA-N 2 2 333.436 0.764 20 30 ECEDLP C[N@H+]1CCO[C@@H]2CCN(C([O-])=[NH+]C[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC000328847426 277120040 /nfs/dbraw/zinc/12/00/40/277120040.db2.gz AQZFLURZGCNMDP-SOUVJXGZSA-N 2 2 333.436 0.764 20 30 ECEDLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC000328847426 277120042 /nfs/dbraw/zinc/12/00/42/277120042.db2.gz AQZFLURZGCNMDP-SOUVJXGZSA-N 2 2 333.436 0.764 20 30 ECEDLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC000328847426 277120043 /nfs/dbraw/zinc/12/00/43/277120043.db2.gz AQZFLURZGCNMDP-SOUVJXGZSA-N 2 2 333.436 0.764 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000113433425 436637926 /nfs/dbraw/zinc/63/79/26/436637926.db2.gz OFYNLPVEBQDYFK-ZACQAIPSSA-N 2 2 348.491 0.531 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000113433425 436637928 /nfs/dbraw/zinc/63/79/28/436637928.db2.gz OFYNLPVEBQDYFK-ZACQAIPSSA-N 2 2 348.491 0.531 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249547570 436822722 /nfs/dbraw/zinc/82/27/22/436822722.db2.gz GRHLMEZYELHPEC-APWZRJJASA-N 2 2 329.444 0.693 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249547570 436822724 /nfs/dbraw/zinc/82/27/24/436822724.db2.gz GRHLMEZYELHPEC-APWZRJJASA-N 2 2 329.444 0.693 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249547570 436822726 /nfs/dbraw/zinc/82/27/26/436822726.db2.gz GRHLMEZYELHPEC-APWZRJJASA-N 2 2 329.444 0.693 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249547570 436822727 /nfs/dbraw/zinc/82/27/27/436822727.db2.gz GRHLMEZYELHPEC-APWZRJJASA-N 2 2 329.444 0.693 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCC[C@H](CC(N)=O)C1 ZINC000261663238 436880976 /nfs/dbraw/zinc/88/09/76/436880976.db2.gz BDVXGTAZWKYBML-GFCCVEGCSA-N 2 2 335.456 0.149 20 30 ECEDLP CC1(C)C[N@H+](CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCO1 ZINC000261986278 436899285 /nfs/dbraw/zinc/89/92/85/436899285.db2.gz KBGLUYUCOOBGGL-UHFFFAOYSA-N 2 2 347.467 0.024 20 30 ECEDLP CC1(C)C[N@@H+](CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCO1 ZINC000261986278 436899292 /nfs/dbraw/zinc/89/92/92/436899292.db2.gz KBGLUYUCOOBGGL-UHFFFAOYSA-N 2 2 347.467 0.024 20 30 ECEDLP CCC(=O)N1CC[C@@H](NC(NCc2c[nH+]c(N(C)C)n2C)=[NH+]C)C1 ZINC000261986491 436899870 /nfs/dbraw/zinc/89/98/70/436899870.db2.gz QEWGDGPJWOVKAM-GFCCVEGCSA-N 2 2 335.456 0.162 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262785332 436942182 /nfs/dbraw/zinc/94/21/82/436942182.db2.gz MJDKJGFEBHMWHE-AWEZNQCLSA-N 3 2 331.468 0.508 20 30 ECEDLP N#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000172697514 437025187 /nfs/dbraw/zinc/02/51/87/437025187.db2.gz BJPGVJJHYOSNFI-QGZVFWFLSA-N 2 2 328.416 0.581 20 30 ECEDLP COCCNC(=[NH2+])NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000264066274 437014765 /nfs/dbraw/zinc/01/47/65/437014765.db2.gz BFWNLWMGDHNJSO-UHFFFAOYSA-N 2 2 336.436 0.448 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000286752249 437127001 /nfs/dbraw/zinc/12/70/01/437127001.db2.gz SSYNVDZLGFPMKU-UHFFFAOYSA-N 2 2 341.415 0.717 20 30 ECEDLP C[C@@H]1C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000332777658 437249224 /nfs/dbraw/zinc/24/92/24/437249224.db2.gz QCSWDVOERZNBAF-AYBZRNKSSA-N 2 2 347.507 0.753 20 30 ECEDLP C[C@@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000332777658 437249228 /nfs/dbraw/zinc/24/92/28/437249228.db2.gz QCSWDVOERZNBAF-AYBZRNKSSA-N 2 2 347.507 0.753 20 30 ECEDLP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000328687222 437252699 /nfs/dbraw/zinc/25/26/99/437252699.db2.gz GVLAWXNXQKDAOB-HNNXBMFYSA-N 2 2 335.452 0.919 20 30 ECEDLP Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000328687222 437252703 /nfs/dbraw/zinc/25/27/03/437252703.db2.gz GVLAWXNXQKDAOB-HNNXBMFYSA-N 2 2 335.452 0.919 20 30 ECEDLP Cn1cc(C[N@@H+]2CCCN(C(=O)NCc3[nH+]ccn3C)CC2)cn1 ZINC000329336445 437353527 /nfs/dbraw/zinc/35/35/27/437353527.db2.gz PGCVAXMAKTUEHB-UHFFFAOYSA-N 2 2 331.424 0.776 20 30 ECEDLP Cn1cc(C[N@H+]2CCCN(C(=O)NCc3[nH+]ccn3C)CC2)cn1 ZINC000329336445 437353530 /nfs/dbraw/zinc/35/35/30/437353530.db2.gz PGCVAXMAKTUEHB-UHFFFAOYSA-N 2 2 331.424 0.776 20 30 ECEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000329814365 437416257 /nfs/dbraw/zinc/41/62/57/437416257.db2.gz DDSDVXPTQJQGJR-PBHICJAKSA-N 2 2 346.479 0.934 20 30 ECEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000329814365 437416259 /nfs/dbraw/zinc/41/62/59/437416259.db2.gz DDSDVXPTQJQGJR-PBHICJAKSA-N 2 2 346.479 0.934 20 30 ECEDLP C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000329634534 437394977 /nfs/dbraw/zinc/39/49/77/437394977.db2.gz TZGIXZJCJISBRW-IOASZLSFSA-N 2 2 333.436 0.834 20 30 ECEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329658058 437397670 /nfs/dbraw/zinc/39/76/70/437397670.db2.gz NFUDIZALGUMNQO-CABCVRRESA-N 2 2 333.436 0.909 20 30 ECEDLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000330266720 437478240 /nfs/dbraw/zinc/47/82/40/437478240.db2.gz QBENQSZJFWJIAN-GOEBONIOSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000330266720 437478241 /nfs/dbraw/zinc/47/82/41/437478241.db2.gz QBENQSZJFWJIAN-GOEBONIOSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330266720 437478242 /nfs/dbraw/zinc/47/82/42/437478242.db2.gz QBENQSZJFWJIAN-GOEBONIOSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330266720 437478243 /nfs/dbraw/zinc/47/82/43/437478243.db2.gz QBENQSZJFWJIAN-GOEBONIOSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000330266719 437478414 /nfs/dbraw/zinc/47/84/14/437478414.db2.gz QBENQSZJFWJIAN-GDBMZVCRSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000330266719 437478417 /nfs/dbraw/zinc/47/84/17/437478417.db2.gz QBENQSZJFWJIAN-GDBMZVCRSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330266719 437478421 /nfs/dbraw/zinc/47/84/21/437478421.db2.gz QBENQSZJFWJIAN-GDBMZVCRSA-N 2 2 340.468 0.416 20 30 ECEDLP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330266719 437478424 /nfs/dbraw/zinc/47/84/24/437478424.db2.gz QBENQSZJFWJIAN-GDBMZVCRSA-N 2 2 340.468 0.416 20 30 ECEDLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000330501759 437532047 /nfs/dbraw/zinc/53/20/47/437532047.db2.gz AYCRBXFSEHRHFV-CYBMUJFWSA-N 2 2 336.440 0.617 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330860142 437634750 /nfs/dbraw/zinc/63/47/50/437634750.db2.gz VXCZSZGTOCWCDW-JKSUJKDBSA-N 2 2 335.496 0.847 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000330860142 437634755 /nfs/dbraw/zinc/63/47/55/437634755.db2.gz VXCZSZGTOCWCDW-JKSUJKDBSA-N 2 2 335.496 0.847 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371306201 437918359 /nfs/dbraw/zinc/91/83/59/437918359.db2.gz SJVLMUYIWDOZOU-WBVHZDCISA-N 2 2 335.496 0.847 20 30 ECEDLP C[C@H](C(=O)N(C)CCC#N)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371306201 437918364 /nfs/dbraw/zinc/91/83/64/437918364.db2.gz SJVLMUYIWDOZOU-WBVHZDCISA-N 2 2 335.496 0.847 20 30 ECEDLP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000367117182 438167732 /nfs/dbraw/zinc/16/77/32/438167732.db2.gz LZXAYMVJUVSYKV-LPHOPBHVSA-N 2 2 347.507 0.754 20 30 ECEDLP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000367117182 438167736 /nfs/dbraw/zinc/16/77/36/438167736.db2.gz LZXAYMVJUVSYKV-LPHOPBHVSA-N 2 2 347.507 0.754 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000369476133 438478670 /nfs/dbraw/zinc/47/86/70/438478670.db2.gz IMNUJTRCHQSPLT-UHFFFAOYSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000369476133 438478675 /nfs/dbraw/zinc/47/86/75/438478675.db2.gz IMNUJTRCHQSPLT-UHFFFAOYSA-N 2 2 346.475 0.145 20 30 ECEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2=O)C1 ZINC000370080430 438550744 /nfs/dbraw/zinc/55/07/44/438550744.db2.gz FZERADJMKOAQMT-BRWVUGGUSA-N 2 2 334.464 0.982 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC([C@H](C)NC(C)=O)CC2)CC1 ZINC000491496278 439393894 /nfs/dbraw/zinc/39/38/94/439393894.db2.gz PGULMMCTIABIJH-HNNXBMFYSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000491807422 439455801 /nfs/dbraw/zinc/45/58/01/439455801.db2.gz SQYQPMHYXKWCAW-UHFFFAOYSA-N 2 2 332.452 0.202 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C(C)C)C2(CO)CCCC2)CC1 ZINC000491569058 439409070 /nfs/dbraw/zinc/40/90/70/439409070.db2.gz UIMKEYQQEQEISC-GOSISDBHSA-N 2 2 335.492 0.931 20 30 ECEDLP N#CCCCC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000594440669 439559686 /nfs/dbraw/zinc/55/96/86/439559686.db2.gz HNJWRVUYWPYYTQ-HNNXBMFYSA-N 2 2 331.420 0.946 20 30 ECEDLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439073 439560783 /nfs/dbraw/zinc/56/07/83/439560783.db2.gz NNIQREVFQMKIHP-HOTGVXAUSA-N 2 2 349.479 0.553 20 30 ECEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC1(C#N)CCC1 ZINC000594804404 439616703 /nfs/dbraw/zinc/61/67/03/439616703.db2.gz YRNUYZGJBNNUPW-AWEZNQCLSA-N 2 2 330.498 0.872 20 30 ECEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC1(C#N)CCC1 ZINC000594804404 439616708 /nfs/dbraw/zinc/61/67/08/439616708.db2.gz YRNUYZGJBNNUPW-AWEZNQCLSA-N 2 2 330.498 0.872 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCO[C@](C)(C#N)C3)C2)CC1 ZINC000893022429 586305840 /nfs/dbraw/zinc/30/58/40/586305840.db2.gz LNGJRNLLPBRBAT-RHSMWYFYSA-N 2 2 335.452 0.479 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCO[C@](C)(C#N)C3)C2)CC1 ZINC000893022429 586305841 /nfs/dbraw/zinc/30/58/41/586305841.db2.gz LNGJRNLLPBRBAT-RHSMWYFYSA-N 2 2 335.452 0.479 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000829582866 588331099 /nfs/dbraw/zinc/33/10/99/588331099.db2.gz SAEJINIBSWFSSC-BBWFWOEESA-N 2 2 335.448 0.080 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000829582866 588331101 /nfs/dbraw/zinc/33/11/01/588331101.db2.gz SAEJINIBSWFSSC-BBWFWOEESA-N 2 2 335.448 0.080 20 30 ECEDLP C#CCCN(CCOC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000853743579 589557245 /nfs/dbraw/zinc/55/72/45/589557245.db2.gz RBSUYWXTYJDTRS-INIZCTEOSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CCCN(CCOC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000853743579 589557246 /nfs/dbraw/zinc/55/72/46/589557246.db2.gz RBSUYWXTYJDTRS-INIZCTEOSA-N 2 2 336.480 0.836 20 30 ECEDLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000872218708 590105595 /nfs/dbraw/zinc/10/55/95/590105595.db2.gz SCYOFEDRFBXQBJ-IRXDYDNUSA-N 2 2 347.459 0.927 20 30 ECEDLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000872218708 590105596 /nfs/dbraw/zinc/10/55/96/590105596.db2.gz SCYOFEDRFBXQBJ-IRXDYDNUSA-N 2 2 347.459 0.927 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000865178367 590129729 /nfs/dbraw/zinc/12/97/29/590129729.db2.gz YXQNGUIZAWNTEY-JKSUJKDBSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000865178367 590129731 /nfs/dbraw/zinc/12/97/31/590129731.db2.gz YXQNGUIZAWNTEY-JKSUJKDBSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000865178367 590129733 /nfs/dbraw/zinc/12/97/33/590129733.db2.gz YXQNGUIZAWNTEY-JKSUJKDBSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000865178367 590129735 /nfs/dbraw/zinc/12/97/35/590129735.db2.gz YXQNGUIZAWNTEY-JKSUJKDBSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000874382944 590236920 /nfs/dbraw/zinc/23/69/20/590236920.db2.gz OEJCYLDEIIPCEP-UHFFFAOYSA-N 2 2 336.480 0.248 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000874382944 590236922 /nfs/dbraw/zinc/23/69/22/590236922.db2.gz OEJCYLDEIIPCEP-UHFFFAOYSA-N 2 2 336.480 0.248 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC000874382944 590236924 /nfs/dbraw/zinc/23/69/24/590236924.db2.gz OEJCYLDEIIPCEP-UHFFFAOYSA-N 2 2 336.480 0.248 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC000874382944 590236926 /nfs/dbraw/zinc/23/69/26/590236926.db2.gz OEJCYLDEIIPCEP-UHFFFAOYSA-N 2 2 336.480 0.248 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000884224891 590781893 /nfs/dbraw/zinc/78/18/93/590781893.db2.gz BRVBAFPQXJAMPA-AWEZNQCLSA-N 2 2 327.425 0.002 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000884278073 590794834 /nfs/dbraw/zinc/79/48/34/590794834.db2.gz BSMARFBLKAVIGT-LSDHHAIUSA-N 2 2 335.379 0.745 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000890372233 591154776 /nfs/dbraw/zinc/15/47/76/591154776.db2.gz HNIRBHHRXIICPX-QGZVFWFLSA-N 2 2 344.463 0.345 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC000890372233 591154779 /nfs/dbraw/zinc/15/47/79/591154779.db2.gz HNIRBHHRXIICPX-QGZVFWFLSA-N 2 2 344.463 0.345 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000890371864 591154863 /nfs/dbraw/zinc/15/48/63/591154863.db2.gz CKZJMFWLCPJSEO-KRWDZBQOSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[NH+]1CCC[C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000890371864 591154866 /nfs/dbraw/zinc/15/48/66/591154866.db2.gz CKZJMFWLCPJSEO-KRWDZBQOSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000890371864 591154868 /nfs/dbraw/zinc/15/48/68/591154868.db2.gz CKZJMFWLCPJSEO-KRWDZBQOSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)C1 ZINC000890371864 591154871 /nfs/dbraw/zinc/15/48/71/591154871.db2.gz CKZJMFWLCPJSEO-KRWDZBQOSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)CC1 ZINC000939808538 610136261 /nfs/dbraw/zinc/13/62/61/610136261.db2.gz FGYGUXAVVKXYJP-CZUORRHYSA-N 2 2 344.463 0.395 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443371 610308507 /nfs/dbraw/zinc/30/85/07/610308507.db2.gz MJLIHTCMMZYFBS-KRWDZBQOSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443371 610308509 /nfs/dbraw/zinc/30/85/09/610308509.db2.gz MJLIHTCMMZYFBS-KRWDZBQOSA-N 2 2 332.492 0.713 20 30 ECEDLP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC000941466431 610327968 /nfs/dbraw/zinc/32/79/68/610327968.db2.gz STVQYXNQCZGQEP-MRXNPFEDSA-N 2 2 343.475 0.850 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941502370 610345613 /nfs/dbraw/zinc/34/56/13/610345613.db2.gz RTIPIUNFTGFQES-LJQANCHMSA-N 2 2 344.503 0.713 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000941675250 610448067 /nfs/dbraw/zinc/44/80/67/610448067.db2.gz VPYUJSFXXZILBR-GOSISDBHSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941675250 610448069 /nfs/dbraw/zinc/44/80/69/610448069.db2.gz VPYUJSFXXZILBR-GOSISDBHSA-N 2 2 332.492 0.713 20 30 ECEDLP C(#CC[N@@H+]1CCC[C@H]1C1OCCO1)C[NH+]1CCC[C@H]1C1OCCO1 ZINC000933899590 611758253 /nfs/dbraw/zinc/75/82/53/611758253.db2.gz CVQLRSGAXCLUKY-HOTGVXAUSA-N 2 2 336.432 0.664 20 30 ECEDLP C(#CC[N@H+]1CCC[C@H]1C1OCCO1)C[NH+]1CCC[C@H]1C1OCCO1 ZINC000933899590 611758256 /nfs/dbraw/zinc/75/82/56/611758256.db2.gz CVQLRSGAXCLUKY-HOTGVXAUSA-N 2 2 336.432 0.664 20 30 ECEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)CCO2 ZINC000949061343 611835191 /nfs/dbraw/zinc/83/51/91/611835191.db2.gz YJQHBLPTAQHIIG-INIZCTEOSA-N 2 2 335.448 0.034 20 30 ECEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CCO2 ZINC000949061343 611835193 /nfs/dbraw/zinc/83/51/93/611835193.db2.gz YJQHBLPTAQHIIG-INIZCTEOSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)CCc1c[nH+]cn1C)CCO2 ZINC000949239034 611915236 /nfs/dbraw/zinc/91/52/36/611915236.db2.gz ARTIIXARTLRADV-UHFFFAOYSA-N 2 2 330.432 0.679 20 30 ECEDLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000969439545 731887028 /nfs/dbraw/zinc/88/70/28/731887028.db2.gz BJOQMRSFHCJAAY-KSSFIOAISA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000969439545 731887033 /nfs/dbraw/zinc/88/70/33/731887033.db2.gz BJOQMRSFHCJAAY-KSSFIOAISA-N 2 2 342.443 0.825 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000969865463 732461673 /nfs/dbraw/zinc/46/16/73/732461673.db2.gz ORCIBEGBYPWTRM-YOEHRIQHSA-N 2 2 346.475 0.141 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)N(C)C2CC2)C1 ZINC000969865463 732461677 /nfs/dbraw/zinc/46/16/77/732461677.db2.gz ORCIBEGBYPWTRM-YOEHRIQHSA-N 2 2 346.475 0.141 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nnc(CC)o3)C2)CC1 ZINC000970792799 733943786 /nfs/dbraw/zinc/94/37/86/733943786.db2.gz WKHBBQUFDBVAFH-OAHLLOKOSA-N 2 2 345.447 0.668 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](Cc3cnnn3C)C2)CC1 ZINC000970925389 734093201 /nfs/dbraw/zinc/09/32/01/734093201.db2.gz PVSDEWXRCZZNLN-CQSZACIVSA-N 2 2 344.463 0.097 20 30 ECEDLP C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971272702 734415392 /nfs/dbraw/zinc/41/53/92/734415392.db2.gz YOEOLNJANZUDAI-ROUUACIJSA-N 2 2 342.443 0.922 20 30 ECEDLP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971272702 734415393 /nfs/dbraw/zinc/41/53/93/734415393.db2.gz YOEOLNJANZUDAI-ROUUACIJSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971272702 734415395 /nfs/dbraw/zinc/41/53/95/734415395.db2.gz YOEOLNJANZUDAI-ROUUACIJSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1ccc(C#N)cc1)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971272702 734415397 /nfs/dbraw/zinc/41/53/97/734415397.db2.gz YOEOLNJANZUDAI-ROUUACIJSA-N 2 2 342.443 0.922 20 30 ECEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000972409065 736140912 /nfs/dbraw/zinc/14/09/12/736140912.db2.gz NXIUHXDCLZDIBI-WMZOPIPTSA-N 2 2 347.463 0.303 20 30 ECEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC000972409065 736140915 /nfs/dbraw/zinc/14/09/15/736140915.db2.gz NXIUHXDCLZDIBI-WMZOPIPTSA-N 2 2 347.463 0.303 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC000972434593 736185995 /nfs/dbraw/zinc/18/59/95/736185995.db2.gz XPUMCCSGWJWCPP-CABCVRRESA-N 2 2 331.420 0.272 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC000972434593 736186000 /nfs/dbraw/zinc/18/60/00/736186000.db2.gz XPUMCCSGWJWCPP-CABCVRRESA-N 2 2 331.420 0.272 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C[C@@H](C)O2 ZINC001098577372 736913969 /nfs/dbraw/zinc/91/39/69/736913969.db2.gz CTTDLOQVFDBRIC-CVEARBPZSA-N 2 2 335.448 0.032 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C[C@@H](C)O2 ZINC001098577372 736913971 /nfs/dbraw/zinc/91/39/71/736913971.db2.gz CTTDLOQVFDBRIC-CVEARBPZSA-N 2 2 335.448 0.032 20 30 ECEDLP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000972682551 737370690 /nfs/dbraw/zinc/37/06/90/737370690.db2.gz GJDLUNOZIOXINI-WMZOPIPTSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000972682551 737370695 /nfs/dbraw/zinc/37/06/95/737370695.db2.gz GJDLUNOZIOXINI-WMZOPIPTSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682551 737370699 /nfs/dbraw/zinc/37/06/99/737370699.db2.gz GJDLUNOZIOXINI-WMZOPIPTSA-N 2 2 337.464 0.587 20 30 ECEDLP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000972682551 737370704 /nfs/dbraw/zinc/37/07/04/737370704.db2.gz GJDLUNOZIOXINI-WMZOPIPTSA-N 2 2 337.464 0.587 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3cnccn3)C[C@H]21 ZINC001025814032 739996423 /nfs/dbraw/zinc/99/64/23/739996423.db2.gz FDWRDUNHTAFLCK-ONMISFSYSA-N 2 2 339.443 0.682 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3cnccn3)C[C@H]21 ZINC001025814032 739996425 /nfs/dbraw/zinc/99/64/25/739996425.db2.gz FDWRDUNHTAFLCK-ONMISFSYSA-N 2 2 339.443 0.682 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)c3cnccn3)C[C@H]21 ZINC001025814032 739996426 /nfs/dbraw/zinc/99/64/26/739996426.db2.gz FDWRDUNHTAFLCK-ONMISFSYSA-N 2 2 339.443 0.682 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H](C)c3cnccn3)C[C@H]21 ZINC001025814032 739996429 /nfs/dbraw/zinc/99/64/29/739996429.db2.gz FDWRDUNHTAFLCK-ONMISFSYSA-N 2 2 339.443 0.682 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105105369 741362386 /nfs/dbraw/zinc/36/23/86/741362386.db2.gz RDUMPIYFWXQDLY-OWCLPIDISA-N 2 2 345.447 0.095 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1 ZINC001105244479 741549377 /nfs/dbraw/zinc/54/93/77/741549377.db2.gz ZOJSWKZEOLNNRC-DLBZAZTESA-N 2 2 344.463 0.505 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001105244479 741549378 /nfs/dbraw/zinc/54/93/78/741549378.db2.gz ZOJSWKZEOLNNRC-DLBZAZTESA-N 2 2 344.463 0.505 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105264392 741595289 /nfs/dbraw/zinc/59/52/89/741595289.db2.gz HHFPFXYWMSAMMR-MRXNPFEDSA-N 2 2 344.463 0.649 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001105264392 741595291 /nfs/dbraw/zinc/59/52/91/741595291.db2.gz HHFPFXYWMSAMMR-MRXNPFEDSA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)nn1 ZINC001105327235 741812872 /nfs/dbraw/zinc/81/28/72/741812872.db2.gz XSZIBWCDKZOBAZ-INIZCTEOSA-N 2 2 332.452 0.505 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001167900995 751912946 /nfs/dbraw/zinc/91/29/46/751912946.db2.gz PBPAXNWHEFNPIR-AWEZNQCLSA-N 2 2 345.447 0.275 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1=O ZINC000999324738 744628439 /nfs/dbraw/zinc/62/84/39/744628439.db2.gz YFJPFMDOJANNFS-CVEARBPZSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1=O ZINC000999324738 744628442 /nfs/dbraw/zinc/62/84/42/744628442.db2.gz YFJPFMDOJANNFS-CVEARBPZSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CC=C)C2)nn1 ZINC000999999014 745159933 /nfs/dbraw/zinc/15/99/33/745159933.db2.gz WLPGDPMYYTXXPU-IRXDYDNUSA-N 2 2 342.447 0.425 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@H+](CC=C)C2)nn1 ZINC000999999014 745159934 /nfs/dbraw/zinc/15/99/34/745159934.db2.gz WLPGDPMYYTXXPU-IRXDYDNUSA-N 2 2 342.447 0.425 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CC=C)C2)nn1 ZINC000999999014 745159935 /nfs/dbraw/zinc/15/99/35/745159935.db2.gz WLPGDPMYYTXXPU-IRXDYDNUSA-N 2 2 342.447 0.425 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CC=C)C2)nn1 ZINC000999999014 745159936 /nfs/dbraw/zinc/15/99/36/745159936.db2.gz WLPGDPMYYTXXPU-IRXDYDNUSA-N 2 2 342.447 0.425 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+]([C@H](CC)C(N)=O)CC1 ZINC001000788644 745764630 /nfs/dbraw/zinc/76/46/30/745764630.db2.gz WZNXFGXGLYNDOG-CVEARBPZSA-N 2 2 332.448 0.096 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+]([C@H](CC)C(N)=O)CC1 ZINC001000788644 745764635 /nfs/dbraw/zinc/76/46/35/745764635.db2.gz WZNXFGXGLYNDOG-CVEARBPZSA-N 2 2 332.448 0.096 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC001000788644 745764640 /nfs/dbraw/zinc/76/46/40/745764640.db2.gz WZNXFGXGLYNDOG-CVEARBPZSA-N 2 2 332.448 0.096 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC001000788644 745764646 /nfs/dbraw/zinc/76/46/46/745764646.db2.gz WZNXFGXGLYNDOG-CVEARBPZSA-N 2 2 332.448 0.096 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004190 752041245 /nfs/dbraw/zinc/04/12/45/752041245.db2.gz USQYSXYZKDHVOB-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004190 752041251 /nfs/dbraw/zinc/04/12/51/752041251.db2.gz USQYSXYZKDHVOB-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004190 752041255 /nfs/dbraw/zinc/04/12/55/752041255.db2.gz USQYSXYZKDHVOB-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001007004190 752041260 /nfs/dbraw/zinc/04/12/60/752041260.db2.gz USQYSXYZKDHVOB-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]Cc3csnn3)C2)CC1 ZINC001000995404 745960728 /nfs/dbraw/zinc/96/07/28/745960728.db2.gz XTLDRTIETJMQRV-OAHLLOKOSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=O)N(C)C)[C@@H]1CC ZINC001087607018 746115387 /nfs/dbraw/zinc/11/53/87/746115387.db2.gz GIGDSPYIHBKUQV-XHSDSOJGSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)C)[C@@H]1CC ZINC001087607018 746115388 /nfs/dbraw/zinc/11/53/88/746115388.db2.gz GIGDSPYIHBKUQV-XHSDSOJGSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)[C@@H]1CC ZINC001087607018 746115390 /nfs/dbraw/zinc/11/53/90/746115390.db2.gz GIGDSPYIHBKUQV-XHSDSOJGSA-N 2 2 334.464 0.141 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=O)N(C)C)[C@@H]1CC ZINC001087607018 746115391 /nfs/dbraw/zinc/11/53/91/746115391.db2.gz GIGDSPYIHBKUQV-XHSDSOJGSA-N 2 2 334.464 0.141 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001098715420 747134383 /nfs/dbraw/zinc/13/43/83/747134383.db2.gz GAIJDFQEABSNHC-DLBZAZTESA-N 2 2 346.479 0.751 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CC1 ZINC001029596668 747853926 /nfs/dbraw/zinc/85/39/26/747853926.db2.gz USCHHMONMQYNRQ-CALCHBBNSA-N 2 2 346.475 0.095 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC001029596668 747853933 /nfs/dbraw/zinc/85/39/33/747853933.db2.gz USCHHMONMQYNRQ-CALCHBBNSA-N 2 2 346.475 0.095 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC#Cc2ccccc2)C1 ZINC001027805326 747920238 /nfs/dbraw/zinc/92/02/38/747920238.db2.gz QXADGRZZMRKHDD-RTBURBONSA-N 2 2 341.455 0.949 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CC#Cc2ccccc2)C1 ZINC001027805326 747920240 /nfs/dbraw/zinc/92/02/40/747920240.db2.gz QXADGRZZMRKHDD-RTBURBONSA-N 2 2 341.455 0.949 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccccc2)C1 ZINC001027805326 747920242 /nfs/dbraw/zinc/92/02/42/747920242.db2.gz QXADGRZZMRKHDD-RTBURBONSA-N 2 2 341.455 0.949 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccccc2)C1 ZINC001027805326 747920245 /nfs/dbraw/zinc/92/02/45/747920245.db2.gz QXADGRZZMRKHDD-RTBURBONSA-N 2 2 341.455 0.949 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cnn(C)n2)CC1 ZINC000985473046 748206266 /nfs/dbraw/zinc/20/62/66/748206266.db2.gz FNOXTCIXZUVCEL-KRWDZBQOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cnn(C)n2)CC1 ZINC000985473046 748206273 /nfs/dbraw/zinc/20/62/73/748206273.db2.gz FNOXTCIXZUVCEL-KRWDZBQOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2cnn(C)n2)CC1 ZINC000985473046 748206277 /nfs/dbraw/zinc/20/62/77/748206277.db2.gz FNOXTCIXZUVCEL-KRWDZBQOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2cnn(C)n2)CC1 ZINC000985473046 748206283 /nfs/dbraw/zinc/20/62/83/748206283.db2.gz FNOXTCIXZUVCEL-KRWDZBQOSA-N 2 2 344.463 0.336 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001098728408 748520151 /nfs/dbraw/zinc/52/01/51/748520151.db2.gz OSUFYEFFUCCWEC-NVXWUHKLSA-N 2 2 344.463 0.649 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)nn1 ZINC001098728408 748520159 /nfs/dbraw/zinc/52/01/59/748520159.db2.gz OSUFYEFFUCCWEC-NVXWUHKLSA-N 2 2 344.463 0.649 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262806196 749832395 /nfs/dbraw/zinc/83/23/95/749832395.db2.gz SGXTYLHANJCTSA-OAHLLOKOSA-N 3 2 347.511 0.979 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3csnn3)[C@@H]2C)CC1 ZINC000987576133 750991688 /nfs/dbraw/zinc/99/16/88/750991688.db2.gz NHGWTGIWWNNHEG-BBRMVZONSA-N 2 2 347.488 0.962 20 30 ECEDLP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC001105366302 752461909 /nfs/dbraw/zinc/46/19/09/752461909.db2.gz HOOQZZHCKPPODT-UHFFFAOYSA-N 2 2 343.435 0.991 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCc2cnn(C)c2)C1 ZINC001007518537 752474327 /nfs/dbraw/zinc/47/43/27/752474327.db2.gz CHOXXTAGZWQAKC-MSOLQXFVSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCc2cnn(C)c2)C1 ZINC001007518537 752474336 /nfs/dbraw/zinc/47/43/36/752474336.db2.gz CHOXXTAGZWQAKC-MSOLQXFVSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCc2cnn(C)c2)C1 ZINC001007518537 752474345 /nfs/dbraw/zinc/47/43/45/752474345.db2.gz CHOXXTAGZWQAKC-MSOLQXFVSA-N 2 2 343.475 0.641 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCc2cnn(C)c2)C1 ZINC001007518537 752474352 /nfs/dbraw/zinc/47/43/52/752474352.db2.gz CHOXXTAGZWQAKC-MSOLQXFVSA-N 2 2 343.475 0.641 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001098682745 753684700 /nfs/dbraw/zinc/68/47/00/753684700.db2.gz GAIJDFQEABSNHC-IRXDYDNUSA-N 2 2 346.479 0.751 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)nn1 ZINC001105376904 754066414 /nfs/dbraw/zinc/06/64/14/754066414.db2.gz KJVFLJKJGFJCQQ-MRXNPFEDSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nonc3C)C[C@H]2C)CC1 ZINC000989828712 754497171 /nfs/dbraw/zinc/49/71/71/754497171.db2.gz HXGDOGBVAUARDH-CJNGLKHVSA-N 2 2 345.447 0.802 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cnon3)C[C@H]2C)CC1 ZINC000989828552 754497234 /nfs/dbraw/zinc/49/72/34/754497234.db2.gz FQPGYZRQMCRVSD-HIFRSBDPSA-N 2 2 331.420 0.494 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)O2 ZINC001098655385 755628399 /nfs/dbraw/zinc/62/83/99/755628399.db2.gz JYCLGSRUORQNBI-CQSZACIVSA-N 2 2 330.432 0.976 20 30 ECEDLP C=CCC[NH+]1CC(n2cc(CNC(=O)CCc3c[nH+]cn3C)nn2)C1 ZINC001107233707 757976177 /nfs/dbraw/zinc/97/61/77/757976177.db2.gz PITNPLAUUMDDMO-UHFFFAOYSA-N 2 2 343.435 0.693 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)CC[NH+]3CCCCC3)nn2)C1 ZINC001107238756 758034407 /nfs/dbraw/zinc/03/44/07/758034407.db2.gz OFWMKPBBLKLRIL-UHFFFAOYSA-N 2 2 344.463 0.650 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001021928151 758074806 /nfs/dbraw/zinc/07/48/06/758074806.db2.gz NCZJIULEMUMWDX-IXDOHACOSA-N 2 2 328.416 0.626 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001021928151 758074818 /nfs/dbraw/zinc/07/48/18/758074818.db2.gz NCZJIULEMUMWDX-IXDOHACOSA-N 2 2 328.416 0.626 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccc(C)n2)C1 ZINC001022220852 758440816 /nfs/dbraw/zinc/44/08/16/758440816.db2.gz RYHAQXBIBVGHMT-XHSDSOJGSA-N 2 2 327.432 0.619 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccc(C)n2)C1 ZINC001022220852 758440823 /nfs/dbraw/zinc/44/08/23/758440823.db2.gz RYHAQXBIBVGHMT-XHSDSOJGSA-N 2 2 327.432 0.619 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@@H](C)C(=O)NC3CC3)C2)CC1 ZINC001032207532 759645481 /nfs/dbraw/zinc/64/54/81/759645481.db2.gz WDWKPDRJGKCWHZ-AWEZNQCLSA-N 2 2 346.475 0.047 20 30 ECEDLP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2)C1 ZINC001099556292 759872226 /nfs/dbraw/zinc/87/22/26/759872226.db2.gz IKVXJWQXAPHHCR-XSLAGTTESA-N 2 2 342.443 0.702 20 30 ECEDLP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2)C1 ZINC001099556292 759872235 /nfs/dbraw/zinc/87/22/35/759872235.db2.gz IKVXJWQXAPHHCR-XSLAGTTESA-N 2 2 342.443 0.702 20 30 ECEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)c1 ZINC001051848430 763104035 /nfs/dbraw/zinc/10/40/35/763104035.db2.gz RDKOBOJHKFQXHE-QGZVFWFLSA-N 2 2 339.399 0.841 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001098784148 768109096 /nfs/dbraw/zinc/10/90/96/768109096.db2.gz AGGBBIUTVPDVSW-MRXNPFEDSA-N 2 2 332.452 0.505 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)nn1 ZINC001098784148 768109102 /nfs/dbraw/zinc/10/91/02/768109102.db2.gz AGGBBIUTVPDVSW-MRXNPFEDSA-N 2 2 332.452 0.505 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3nccn3C)C2)CC1 ZINC001046849595 763226638 /nfs/dbraw/zinc/22/66/38/763226638.db2.gz HSSLNWPOEQAEJP-LJQANCHMSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3nccn3C)C2)CC1 ZINC001046849595 763226651 /nfs/dbraw/zinc/22/66/51/763226651.db2.gz HSSLNWPOEQAEJP-LJQANCHMSA-N 2 2 343.475 0.846 20 30 ECEDLP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046927357 763401254 /nfs/dbraw/zinc/40/12/54/763401254.db2.gz YCFWYSHYNNNANW-ZIAGYGMSSA-N 2 2 331.407 0.967 20 30 ECEDLP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046927357 763401264 /nfs/dbraw/zinc/40/12/64/763401264.db2.gz YCFWYSHYNNNANW-ZIAGYGMSSA-N 2 2 331.407 0.967 20 30 ECEDLP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046927357 763401274 /nfs/dbraw/zinc/40/12/74/763401274.db2.gz YCFWYSHYNNNANW-ZIAGYGMSSA-N 2 2 331.407 0.967 20 30 ECEDLP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046927357 763401283 /nfs/dbraw/zinc/40/12/83/763401283.db2.gz YCFWYSHYNNNANW-ZIAGYGMSSA-N 2 2 331.407 0.967 20 30 ECEDLP N#Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001051949346 763423373 /nfs/dbraw/zinc/42/33/73/763423373.db2.gz ZGOVQTLDXKRXKH-QGZVFWFLSA-N 2 2 339.399 0.772 20 30 ECEDLP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001052001752 763559953 /nfs/dbraw/zinc/55/99/53/763559953.db2.gz XYHVSLQPPYVHJP-IAGOWNOFSA-N 2 2 336.480 0.112 20 30 ECEDLP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001052001752 763559962 /nfs/dbraw/zinc/55/99/62/763559962.db2.gz XYHVSLQPPYVHJP-IAGOWNOFSA-N 2 2 336.480 0.112 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052026773 763620199 /nfs/dbraw/zinc/62/01/99/763620199.db2.gz SYKVGVWEKMEHKG-IAGOWNOFSA-N 2 2 333.480 0.601 20 30 ECEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052026773 763620203 /nfs/dbraw/zinc/62/02/03/763620203.db2.gz SYKVGVWEKMEHKG-IAGOWNOFSA-N 2 2 333.480 0.601 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052044728 763680474 /nfs/dbraw/zinc/68/04/74/763680474.db2.gz KYWRJSPCSRVTTQ-MSOLQXFVSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052044728 763680480 /nfs/dbraw/zinc/68/04/80/763680480.db2.gz KYWRJSPCSRVTTQ-MSOLQXFVSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)C2)CC1 ZINC001052068664 763763343 /nfs/dbraw/zinc/76/33/43/763763343.db2.gz MBAUWIQWTDMABE-RTBURBONSA-N 2 2 346.519 0.960 20 30 ECEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001052068664 763763347 /nfs/dbraw/zinc/76/33/47/763763347.db2.gz MBAUWIQWTDMABE-RTBURBONSA-N 2 2 346.519 0.960 20 30 ECEDLP C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117076 763927209 /nfs/dbraw/zinc/92/72/09/763927209.db2.gz FSMOXGQLKRUJRS-CVEARBPZSA-N 2 2 340.899 0.909 20 30 ECEDLP C=C(Cl)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117076 763927212 /nfs/dbraw/zinc/92/72/12/763927212.db2.gz FSMOXGQLKRUJRS-CVEARBPZSA-N 2 2 340.899 0.909 20 30 ECEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001015357538 764430988 /nfs/dbraw/zinc/43/09/88/764430988.db2.gz QIEGUWJLGVORRM-ZACQAIPSSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001015357538 764430990 /nfs/dbraw/zinc/43/09/90/764430990.db2.gz QIEGUWJLGVORRM-ZACQAIPSSA-N 2 2 337.464 0.633 20 30 ECEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001047501151 764525553 /nfs/dbraw/zinc/52/55/53/764525553.db2.gz NHCCFSAOBUGACX-BZSNNMDCSA-N 2 2 333.476 0.920 20 30 ECEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001047501151 764525557 /nfs/dbraw/zinc/52/55/57/764525557.db2.gz NHCCFSAOBUGACX-BZSNNMDCSA-N 2 2 333.476 0.920 20 30 ECEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001047501151 764525559 /nfs/dbraw/zinc/52/55/59/764525559.db2.gz NHCCFSAOBUGACX-BZSNNMDCSA-N 2 2 333.476 0.920 20 30 ECEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001047501151 764525566 /nfs/dbraw/zinc/52/55/66/764525566.db2.gz NHCCFSAOBUGACX-BZSNNMDCSA-N 2 2 333.476 0.920 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3snnc3C)C2)CC1 ZINC001016336386 766142092 /nfs/dbraw/zinc/14/20/92/766142092.db2.gz KGEGUESEWSFBNK-HNNXBMFYSA-N 2 2 347.488 0.882 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3snnc3C)C2)CC1 ZINC001016336386 766142097 /nfs/dbraw/zinc/14/20/97/766142097.db2.gz KGEGUESEWSFBNK-HNNXBMFYSA-N 2 2 347.488 0.882 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)O2 ZINC001053585744 766376473 /nfs/dbraw/zinc/37/64/73/766376473.db2.gz KIFWPNCZFBBITM-HOTGVXAUSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)O2 ZINC001053585744 766376484 /nfs/dbraw/zinc/37/64/84/766376484.db2.gz KIFWPNCZFBBITM-HOTGVXAUSA-N 2 2 337.464 0.633 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)O2 ZINC001053699355 766617256 /nfs/dbraw/zinc/61/72/56/766617256.db2.gz DFXLEENMCDQQAP-HZPDHXFCSA-N 2 2 337.464 0.633 20 30 ECEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)O2 ZINC001053699355 766617258 /nfs/dbraw/zinc/61/72/58/766617258.db2.gz DFXLEENMCDQQAP-HZPDHXFCSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)O2 ZINC001053700413 766620135 /nfs/dbraw/zinc/62/01/35/766620135.db2.gz UHCAPACFQUUKMS-HOTGVXAUSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)O2 ZINC001053700413 766620138 /nfs/dbraw/zinc/62/01/38/766620138.db2.gz UHCAPACFQUUKMS-HOTGVXAUSA-N 2 2 337.464 0.633 20 30 ECEDLP N#CCN1CC[C@@H]([NH+]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046029878 766695440 /nfs/dbraw/zinc/69/54/40/766695440.db2.gz DOGRYLMPFNACHA-IAGOWNOFSA-N 2 2 331.464 0.070 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039019 766740676 /nfs/dbraw/zinc/74/06/76/766740676.db2.gz MKQMAXSSNMNYNP-IAGOWNOFSA-N 2 2 343.475 0.850 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C1 ZINC001046039019 766740680 /nfs/dbraw/zinc/74/06/80/766740680.db2.gz MKQMAXSSNMNYNP-IAGOWNOFSA-N 2 2 343.475 0.850 20 30 ECEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC001046042414 766754804 /nfs/dbraw/zinc/75/48/04/766754804.db2.gz ZLOZNLMZVJRRBD-HNNXBMFYSA-N 2 2 345.447 0.202 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC2)C1 ZINC001046042414 766754811 /nfs/dbraw/zinc/75/48/11/766754811.db2.gz ZLOZNLMZVJRRBD-HNNXBMFYSA-N 2 2 345.447 0.202 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046082604 766921929 /nfs/dbraw/zinc/92/19/29/766921929.db2.gz YBCFRUAIPYXLGW-QGZVFWFLSA-N 2 2 329.448 0.204 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001046082604 766921931 /nfs/dbraw/zinc/92/19/31/766921931.db2.gz YBCFRUAIPYXLGW-QGZVFWFLSA-N 2 2 329.448 0.204 20 30 ECEDLP CC(C)[C@@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)[NH+]1CCCC1 ZINC001046085081 766926013 /nfs/dbraw/zinc/92/60/13/766926013.db2.gz KDHBECQZQQFDEM-ROUUACIJSA-N 2 2 347.507 0.849 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875453 767111823 /nfs/dbraw/zinc/11/18/23/767111823.db2.gz DADCHQDQHAZMOX-BNQMIIOLSA-N 2 2 347.459 0.385 20 30 ECEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875453 767111827 /nfs/dbraw/zinc/11/18/27/767111827.db2.gz DADCHQDQHAZMOX-BNQMIIOLSA-N 2 2 347.459 0.385 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)C1=O ZINC001031777210 767187130 /nfs/dbraw/zinc/18/71/30/767187130.db2.gz YRRXJTNOFFLWIH-CVEARBPZSA-N 2 2 334.464 0.306 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001031777210 767187131 /nfs/dbraw/zinc/18/71/31/767187131.db2.gz YRRXJTNOFFLWIH-CVEARBPZSA-N 2 2 334.464 0.306 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001098780755 767816396 /nfs/dbraw/zinc/81/63/96/767816396.db2.gz ZEFCJGWYEALQTN-GDBMZVCRSA-N 2 2 330.436 0.116 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098780755 767816402 /nfs/dbraw/zinc/81/64/02/767816402.db2.gz ZEFCJGWYEALQTN-GDBMZVCRSA-N 2 2 330.436 0.116 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC001018986169 770485650 /nfs/dbraw/zinc/48/56/50/770485650.db2.gz TXQAXFXPEUYDIL-RDJZCZTQSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cn(C(C)C)nn2)C1 ZINC001018986169 770485652 /nfs/dbraw/zinc/48/56/52/770485652.db2.gz TXQAXFXPEUYDIL-RDJZCZTQSA-N 2 2 344.463 0.647 20 30 ECEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001019176712 771001641 /nfs/dbraw/zinc/00/16/41/771001641.db2.gz IQQWIPJSSTZVFG-BBWFWOEESA-N 2 2 337.464 0.633 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nnc(C)o3)C2)CC1 ZINC001019814120 771829043 /nfs/dbraw/zinc/82/90/43/771829043.db2.gz SZUYMEYBSIDQMF-HNNXBMFYSA-N 2 2 331.420 0.414 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001020251361 772353131 /nfs/dbraw/zinc/35/31/31/772353131.db2.gz IJUYLWDDYYTXHK-MXAVVETBSA-N 2 2 331.420 0.773 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nc(C)no2)C1 ZINC001020251361 772353134 /nfs/dbraw/zinc/35/31/34/772353134.db2.gz IJUYLWDDYYTXHK-MXAVVETBSA-N 2 2 331.420 0.773 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001045074173 774936751 /nfs/dbraw/zinc/93/67/51/774936751.db2.gz XOSZRKNCLDHSAJ-IRXDYDNUSA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC001045074173 774936754 /nfs/dbraw/zinc/93/67/54/774936754.db2.gz XOSZRKNCLDHSAJ-IRXDYDNUSA-N 2 2 344.463 0.476 20 30 ECEDLP C=CC[NH+]1CC2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H]2c1nnc(C)[nH]1 ZINC001070451731 784114657 /nfs/dbraw/zinc/11/46/57/784114657.db2.gz BYMYRLHAAUCJQB-OAHLLOKOSA-N 2 2 344.463 0.623 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1NCC#N ZINC001070664589 784521608 /nfs/dbraw/zinc/52/16/08/784521608.db2.gz ZUQKMFAYJTXVSS-HUUCEWRRSA-N 2 2 342.447 0.456 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@H](C)O2 ZINC001071194438 784709365 /nfs/dbraw/zinc/70/93/65/784709365.db2.gz JGZZDCLEUPPQGC-FUHWJXTLSA-N 2 2 330.432 0.988 20 30 ECEDLP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@H](C)O2 ZINC001071194438 784709369 /nfs/dbraw/zinc/70/93/69/784709369.db2.gz JGZZDCLEUPPQGC-FUHWJXTLSA-N 2 2 330.432 0.988 20 30 ECEDLP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@H](C)O2 ZINC001071226094 784784697 /nfs/dbraw/zinc/78/46/97/784784697.db2.gz UZDUMTDLHHVMSF-YJBOKZPZSA-N 2 2 330.432 0.678 20 30 ECEDLP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@H](C)O2 ZINC001071226094 784784707 /nfs/dbraw/zinc/78/47/07/784784707.db2.gz UZDUMTDLHHVMSF-YJBOKZPZSA-N 2 2 330.432 0.678 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001075398231 789324434 /nfs/dbraw/zinc/32/44/34/789324434.db2.gz YKVMJKPJAWMYLE-CVEARBPZSA-N 2 2 330.432 0.961 20 30 ECEDLP C#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](n2ccnn2)C1 ZINC001069955667 790238050 /nfs/dbraw/zinc/23/80/50/790238050.db2.gz HDZLHOYLUNTCFE-CVEARBPZSA-N 2 2 342.447 0.129 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](n2ccnn2)C1 ZINC001069955667 790238057 /nfs/dbraw/zinc/23/80/57/790238057.db2.gz HDZLHOYLUNTCFE-CVEARBPZSA-N 2 2 342.447 0.129 20 30 ECEDLP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267495698 837565678 /nfs/dbraw/zinc/56/56/78/837565678.db2.gz FUSCNJFQQPOABT-OAHLLOKOSA-N 2 2 346.435 0.144 20 30 ECEDLP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267495698 837565682 /nfs/dbraw/zinc/56/56/82/837565682.db2.gz FUSCNJFQQPOABT-OAHLLOKOSA-N 2 2 346.435 0.144 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C(C)C ZINC001266284353 835617378 /nfs/dbraw/zinc/61/73/78/835617378.db2.gz BSWYWPFZCWSRMT-CVEARBPZSA-N 2 2 336.480 0.387 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C(C)C ZINC001266284353 835617382 /nfs/dbraw/zinc/61/73/82/835617382.db2.gz BSWYWPFZCWSRMT-CVEARBPZSA-N 2 2 336.480 0.387 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(=O)N(C)C(C)C ZINC001266284353 835617386 /nfs/dbraw/zinc/61/73/86/835617386.db2.gz BSWYWPFZCWSRMT-CVEARBPZSA-N 2 2 336.480 0.387 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(=O)N(C)C(C)C ZINC001266284353 835617388 /nfs/dbraw/zinc/61/73/88/835617388.db2.gz BSWYWPFZCWSRMT-CVEARBPZSA-N 2 2 336.480 0.387 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266345729 835735961 /nfs/dbraw/zinc/73/59/61/835735961.db2.gz XTXJMILSCUEOIS-JKSUJKDBSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266345729 835735973 /nfs/dbraw/zinc/73/59/73/835735973.db2.gz XTXJMILSCUEOIS-JKSUJKDBSA-N 2 2 336.480 0.744 20 30 ECEDLP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266465565 835867816 /nfs/dbraw/zinc/86/78/16/835867816.db2.gz XRYJOBJKIMKPLB-KRWDZBQOSA-N 2 2 344.459 0.992 20 30 ECEDLP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266465565 835867823 /nfs/dbraw/zinc/86/78/23/835867823.db2.gz XRYJOBJKIMKPLB-KRWDZBQOSA-N 2 2 344.459 0.992 20 30 ECEDLP C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266473357 835875699 /nfs/dbraw/zinc/87/56/99/835875699.db2.gz ZPYRHRJXRVWPFY-OAHLLOKOSA-N 2 2 345.447 0.180 20 30 ECEDLP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266473357 835875707 /nfs/dbraw/zinc/87/57/07/835875707.db2.gz ZPYRHRJXRVWPFY-OAHLLOKOSA-N 2 2 345.447 0.180 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266790117 836305662 /nfs/dbraw/zinc/30/56/62/836305662.db2.gz CGNUPNHDRSFUFO-GJZGRUSLSA-N 2 2 345.447 0.308 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266790117 836305663 /nfs/dbraw/zinc/30/56/63/836305663.db2.gz CGNUPNHDRSFUFO-GJZGRUSLSA-N 2 2 345.447 0.308 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccnc1OC ZINC001266947790 836508914 /nfs/dbraw/zinc/50/89/14/836508914.db2.gz BHNITPGSZTYLJE-HOCLYGCPSA-N 2 2 330.432 0.782 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccnc1OC ZINC001266947790 836508920 /nfs/dbraw/zinc/50/89/20/836508920.db2.gz BHNITPGSZTYLJE-HOCLYGCPSA-N 2 2 330.432 0.782 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267232423 837037213 /nfs/dbraw/zinc/03/72/13/837037213.db2.gz HUNGNSCWFVGGFM-RDJZCZTQSA-N 2 2 344.459 0.475 20 30 ECEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267232423 837037222 /nfs/dbraw/zinc/03/72/22/837037222.db2.gz HUNGNSCWFVGGFM-RDJZCZTQSA-N 2 2 344.459 0.475 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267764656 838497561 /nfs/dbraw/zinc/49/75/61/838497561.db2.gz XGMRAEDXPUPWHI-MRXNPFEDSA-N 2 2 348.491 0.533 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267768538 838507769 /nfs/dbraw/zinc/50/77/69/838507769.db2.gz PNXKZDUOGXHWRM-HNNXBMFYSA-N 2 2 334.464 0.450 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267768538 838507773 /nfs/dbraw/zinc/50/77/73/838507773.db2.gz PNXKZDUOGXHWRM-HNNXBMFYSA-N 2 2 334.464 0.450 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nn(CC)nc1C ZINC001268068830 839260718 /nfs/dbraw/zinc/26/07/18/839260718.db2.gz OXUASWQLFXCENN-PBHICJAKSA-N 2 2 346.479 0.641 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nn(CC)nc1C ZINC001268068830 839260728 /nfs/dbraw/zinc/26/07/28/839260728.db2.gz OXUASWQLFXCENN-PBHICJAKSA-N 2 2 346.479 0.641 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129444975 223056148 /nfs/dbraw/zinc/05/61/48/223056148.db2.gz PGWJSZRRCQPAEM-MSOLQXFVSA-N 2 2 345.443 0.952 20 30 ECEDLP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129444975 223056151 /nfs/dbraw/zinc/05/61/51/223056151.db2.gz PGWJSZRRCQPAEM-MSOLQXFVSA-N 2 2 345.443 0.952 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330533590 285039409 /nfs/dbraw/zinc/03/94/09/285039409.db2.gz QRHHTCWFKKUYPM-KZNAEPCWSA-N 2 2 349.523 0.952 20 30 ECEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330533590 285039410 /nfs/dbraw/zinc/03/94/10/285039410.db2.gz QRHHTCWFKKUYPM-KZNAEPCWSA-N 2 2 349.523 0.952 20 30 ECEDLP COCC[NH2+]CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418507719 208816382 /nfs/dbraw/zinc/81/63/82/208816382.db2.gz LIQIPJBGHJZHFR-UHFFFAOYSA-N 2 2 345.447 0.621 20 30 ECEDLP CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CC1 ZINC000329171194 254600072 /nfs/dbraw/zinc/60/00/72/254600072.db2.gz KLCTYJXYKSGGJF-UHFFFAOYSA-N 2 2 334.468 0.936 20 30 ECEDLP N#Cc1ncn(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)n1 ZINC000505755203 270008032 /nfs/dbraw/zinc/00/80/32/270008032.db2.gz CSLQNUCFDQILKU-UHFFFAOYSA-N 2 2 332.331 0.786 20 30 ECEDLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)C[NH+]1CCOCC1 ZINC000328884242 298244361 /nfs/dbraw/zinc/24/43/61/298244361.db2.gz NSUMINAGDKNFDQ-OAGGEKHMSA-N 2 2 340.468 0.274 20 30 ECEDLP C[C@H](CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)C[NH+]1CCOCC1 ZINC000328884242 298244367 /nfs/dbraw/zinc/24/43/67/298244367.db2.gz NSUMINAGDKNFDQ-OAGGEKHMSA-N 2 2 340.468 0.274 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000081230186 436340613 /nfs/dbraw/zinc/34/06/13/436340613.db2.gz JGJJHFUEACYFCU-QGZVFWFLSA-N 2 2 328.416 0.533 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000081230186 436340615 /nfs/dbraw/zinc/34/06/15/436340615.db2.gz JGJJHFUEACYFCU-QGZVFWFLSA-N 2 2 328.416 0.533 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000089922131 436421873 /nfs/dbraw/zinc/42/18/73/436421873.db2.gz QNULGVHLZHXBAE-UHFFFAOYSA-N 2 2 328.460 0.962 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2cccc(N(C)C)c2)CC1 ZINC000089922131 436421879 /nfs/dbraw/zinc/42/18/79/436421879.db2.gz QNULGVHLZHXBAE-UHFFFAOYSA-N 2 2 328.460 0.962 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000130324061 436836787 /nfs/dbraw/zinc/83/67/87/436836787.db2.gz YELUEUCOOZVWDL-DLBZAZTESA-N 2 2 335.496 0.706 20 30 ECEDLP [NH2+]=C(NC[C@H](O)C[NH+]1CCOCC1)N[C@H]1CCOc2ccccc21 ZINC000304513099 437159593 /nfs/dbraw/zinc/15/95/93/437159593.db2.gz XSORTIIEANFJHK-ZFWWWQNUSA-N 2 2 334.420 0.108 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)CC1 ZINC000304755491 437160270 /nfs/dbraw/zinc/16/02/70/437160270.db2.gz ZIIQPOPLFVCOJL-LJQANCHMSA-N 2 2 341.455 0.746 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)CC1 ZINC000304755491 437160274 /nfs/dbraw/zinc/16/02/74/437160274.db2.gz ZIIQPOPLFVCOJL-LJQANCHMSA-N 2 2 341.455 0.746 20 30 ECEDLP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC000329182997 437330850 /nfs/dbraw/zinc/33/08/50/437330850.db2.gz FMGCQIDFDBEMSL-DKUMPPAJSA-N 2 2 338.452 0.357 20 30 ECEDLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC000329182997 437330856 /nfs/dbraw/zinc/33/08/56/437330856.db2.gz FMGCQIDFDBEMSL-DKUMPPAJSA-N 2 2 338.452 0.357 20 30 ECEDLP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC000329182997 437330859 /nfs/dbraw/zinc/33/08/59/437330859.db2.gz FMGCQIDFDBEMSL-DKUMPPAJSA-N 2 2 338.452 0.357 20 30 ECEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330306670 437481740 /nfs/dbraw/zinc/48/17/40/437481740.db2.gz ROZWTXOJRFCZLV-CYBMUJFWSA-N 2 2 332.408 0.858 20 30 ECEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330306670 437481743 /nfs/dbraw/zinc/48/17/43/437481743.db2.gz ROZWTXOJRFCZLV-CYBMUJFWSA-N 2 2 332.408 0.858 20 30 ECEDLP C[N@H+](CCO)C1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)CC1 ZINC000331108257 437690377 /nfs/dbraw/zinc/69/03/77/437690377.db2.gz HQENMUDFZPMUSF-UHFFFAOYSA-N 2 2 342.484 0.400 20 30 ECEDLP C[N@@H+](CCO)C1CCN(C(=O)NCC[NH+]2CCOCC2(C)C)CC1 ZINC000331108257 437690381 /nfs/dbraw/zinc/69/03/81/437690381.db2.gz HQENMUDFZPMUSF-UHFFFAOYSA-N 2 2 342.484 0.400 20 30 ECEDLP C[NH+](CCO)C1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000331108257 437690386 /nfs/dbraw/zinc/69/03/86/437690386.db2.gz HQENMUDFZPMUSF-UHFFFAOYSA-N 2 2 342.484 0.400 20 30 ECEDLP C[NH+](CCO)C1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000331108257 437690388 /nfs/dbraw/zinc/69/03/88/437690388.db2.gz HQENMUDFZPMUSF-UHFFFAOYSA-N 2 2 342.484 0.400 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCC#N ZINC000341001459 437773077 /nfs/dbraw/zinc/77/30/77/437773077.db2.gz LIYQYZLLNXSRKE-UHFFFAOYSA-N 2 2 330.498 0.968 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCCCC#N ZINC000341001459 437773082 /nfs/dbraw/zinc/77/30/82/437773082.db2.gz LIYQYZLLNXSRKE-UHFFFAOYSA-N 2 2 330.498 0.968 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371306200 437917183 /nfs/dbraw/zinc/91/71/83/437917183.db2.gz SJVLMUYIWDOZOU-RDJZCZTQSA-N 2 2 335.496 0.847 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371306200 437917188 /nfs/dbraw/zinc/91/71/88/437917188.db2.gz SJVLMUYIWDOZOU-RDJZCZTQSA-N 2 2 335.496 0.847 20 30 ECEDLP C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372370355 438077500 /nfs/dbraw/zinc/07/75/00/438077500.db2.gz QPVXEBFTSKRWAP-MJGOQNOKSA-N 2 2 347.507 0.895 20 30 ECEDLP CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372370355 438077503 /nfs/dbraw/zinc/07/75/03/438077503.db2.gz QPVXEBFTSKRWAP-MJGOQNOKSA-N 2 2 347.507 0.895 20 30 ECEDLP CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372370355 438077506 /nfs/dbraw/zinc/07/75/06/438077506.db2.gz QPVXEBFTSKRWAP-MJGOQNOKSA-N 2 2 347.507 0.895 20 30 ECEDLP CC(C)[N@@H+]1CCO[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000366830592 438135546 /nfs/dbraw/zinc/13/55/46/438135546.db2.gz RBKTVLDGERLQGX-INIZCTEOSA-N 2 2 338.452 0.170 20 30 ECEDLP CC(C)[N@H+]1CCO[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000366830592 438135548 /nfs/dbraw/zinc/13/55/48/438135548.db2.gz RBKTVLDGERLQGX-INIZCTEOSA-N 2 2 338.452 0.170 20 30 ECEDLP C#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000377620863 438314687 /nfs/dbraw/zinc/31/46/87/438314687.db2.gz HCNKFYGRWKGPCO-GOSISDBHSA-N 2 2 327.428 0.691 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC(=O)NC)c2ccccc2)CC1 ZINC000491243153 439356638 /nfs/dbraw/zinc/35/66/38/439356638.db2.gz VGOGOVPDMLYCFF-KRWDZBQOSA-N 2 2 342.443 0.231 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(CC(=O)OCC)CCCC2)CC1 ZINC000491556121 439405008 /nfs/dbraw/zinc/40/50/08/439405008.db2.gz WJVJMCANAJULMA-UHFFFAOYSA-N 2 2 335.448 0.619 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(C#N)nc3)C2)CC1 ZINC000599457139 439477665 /nfs/dbraw/zinc/47/76/65/439477665.db2.gz CDMUPPSSWLJBGB-MRXNPFEDSA-N 2 2 327.432 0.780 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(C#N)nc3)C2)CC1 ZINC000599457139 439477671 /nfs/dbraw/zinc/47/76/71/439477671.db2.gz CDMUPPSSWLJBGB-MRXNPFEDSA-N 2 2 327.432 0.780 20 30 ECEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000594440960 439559333 /nfs/dbraw/zinc/55/93/33/439559333.db2.gz KDNJEFWEGDWJQS-INIZCTEOSA-N 2 2 349.479 0.554 20 30 ECEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000594440960 439559342 /nfs/dbraw/zinc/55/93/42/439559342.db2.gz KDNJEFWEGDWJQS-INIZCTEOSA-N 2 2 349.479 0.554 20 30 ECEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000595109973 439654845 /nfs/dbraw/zinc/65/48/45/439654845.db2.gz XUKDUIAGALUPEU-AWEZNQCLSA-N 2 2 345.447 0.885 20 30 ECEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000595109973 439654850 /nfs/dbraw/zinc/65/48/50/439654850.db2.gz XUKDUIAGALUPEU-AWEZNQCLSA-N 2 2 345.447 0.885 20 30 ECEDLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619613036 546348152 /nfs/dbraw/zinc/34/81/52/546348152.db2.gz MDMMEXCWGMXQFK-HIFRSBDPSA-N 2 2 345.451 0.338 20 30 ECEDLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cnc(C#N)n1 ZINC000619613036 546348157 /nfs/dbraw/zinc/34/81/57/546348157.db2.gz MDMMEXCWGMXQFK-HIFRSBDPSA-N 2 2 345.451 0.338 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)CCc2ccccc2)CC1 ZINC000748815628 579329387 /nfs/dbraw/zinc/32/93/87/579329387.db2.gz CYHJDQAOKOPIPB-UHFFFAOYSA-N 2 2 329.444 0.301 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)CCc2ccccc2)CC1 ZINC000748815628 579329388 /nfs/dbraw/zinc/32/93/88/579329388.db2.gz CYHJDQAOKOPIPB-UHFFFAOYSA-N 2 2 329.444 0.301 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000730274177 578304426 /nfs/dbraw/zinc/30/44/26/578304426.db2.gz LXLBBZQPWYBQGV-KRWDZBQOSA-N 2 2 341.459 0.547 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000730274177 578304427 /nfs/dbraw/zinc/30/44/27/578304427.db2.gz LXLBBZQPWYBQGV-KRWDZBQOSA-N 2 2 341.459 0.547 20 30 ECEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@H](CO)c3ccccc3)cn2)CC1 ZINC000788453650 578837655 /nfs/dbraw/zinc/83/76/55/578837655.db2.gz ANEDYYGGRLTUMP-QGZVFWFLSA-N 2 2 340.431 0.886 20 30 ECEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCCc3ccccn3)cn2)CC1 ZINC000789112634 578848293 /nfs/dbraw/zinc/84/82/93/578848293.db2.gz HXIYEJHSBUGEEN-UHFFFAOYSA-N 2 2 325.420 0.790 20 30 ECEDLP CN1CCC[C@@H](O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)C1=O ZINC000778592842 579309868 /nfs/dbraw/zinc/30/98/68/579309868.db2.gz SDCULICCANEOFH-MRXNPFEDSA-N 2 2 346.431 0.777 20 30 ECEDLP CC[NH+]1CCC(NC(=O)CO[NH+]=C(N)c2ccc(OC)cc2)CC1 ZINC000902214088 586724274 /nfs/dbraw/zinc/72/42/74/586724274.db2.gz VCNFCHVJVKQHAH-UHFFFAOYSA-N 2 2 334.420 0.933 20 30 ECEDLP NC(=[NH+]OCC[C@@H]1CCNC1=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000902226933 586725770 /nfs/dbraw/zinc/72/57/70/586725770.db2.gz SPBSMXFMJHSKRZ-INIZCTEOSA-N 2 2 346.431 0.682 20 30 ECEDLP C#CCCCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000806918228 587111808 /nfs/dbraw/zinc/11/18/08/587111808.db2.gz WJFOFBMEPAXDNL-UHFFFAOYSA-N 2 2 348.491 0.583 20 30 ECEDLP C#CCC[NH+]1CCN(c2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000840255350 587237164 /nfs/dbraw/zinc/23/71/64/587237164.db2.gz DLGJVEYBWXFXCO-HOTGVXAUSA-N 2 2 329.448 0.829 20 30 ECEDLP N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000819077883 587466706 /nfs/dbraw/zinc/46/67/06/587466706.db2.gz QAXQXRAZBUTBJY-MOPGFXCFSA-N 2 2 344.459 0.588 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)CC1 ZINC000852036357 589439906 /nfs/dbraw/zinc/43/99/06/589439906.db2.gz WVSTVXSGFCINQM-KBPBESRZSA-N 2 2 335.370 0.301 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000852681617 589505905 /nfs/dbraw/zinc/50/59/05/589505905.db2.gz ULEFFEKXBPZAFD-GOSISDBHSA-N 2 2 327.428 0.917 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000852681617 589505907 /nfs/dbraw/zinc/50/59/07/589505907.db2.gz ULEFFEKXBPZAFD-GOSISDBHSA-N 2 2 327.428 0.917 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(=O)OC)[C@@H]3CCC[C@H]32)CC1 ZINC000859951115 589730884 /nfs/dbraw/zinc/73/08/84/589730884.db2.gz JOTYHHIUAIKEHO-YESZJQIVSA-N 2 2 347.459 0.427 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]3CCC[C@H]32)CC1 ZINC000859951115 589730885 /nfs/dbraw/zinc/73/08/85/589730885.db2.gz JOTYHHIUAIKEHO-YESZJQIVSA-N 2 2 347.459 0.427 20 30 ECEDLP C[C@@H]1C[NH+]=C(NN=Cc2ccc(OCC[NH+]3CCOCC3)cc2)N1 ZINC000872364651 590115597 /nfs/dbraw/zinc/11/55/97/590115597.db2.gz QCAHDGLCZQJMCT-CQSZACIVSA-N 2 2 331.420 0.669 20 30 ECEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876746250 590408307 /nfs/dbraw/zinc/40/83/07/590408307.db2.gz JFTNSWUSSKKTSC-CXAGYDPISA-N 2 2 328.416 0.582 20 30 ECEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCO1 ZINC000876746250 590408309 /nfs/dbraw/zinc/40/83/09/590408309.db2.gz JFTNSWUSSKKTSC-CXAGYDPISA-N 2 2 328.416 0.582 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000884178588 590764372 /nfs/dbraw/zinc/76/43/72/590764372.db2.gz PLLAQNASCDKXTN-CVEARBPZSA-N 2 2 331.416 0.824 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884178588 590764374 /nfs/dbraw/zinc/76/43/74/590764374.db2.gz PLLAQNASCDKXTN-CVEARBPZSA-N 2 2 331.416 0.824 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000884204728 590773604 /nfs/dbraw/zinc/77/36/04/590773604.db2.gz CMXFEWFAXDADFB-PBHICJAKSA-N 2 2 345.443 0.996 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000884204728 590773608 /nfs/dbraw/zinc/77/36/08/590773608.db2.gz CMXFEWFAXDADFB-PBHICJAKSA-N 2 2 345.443 0.996 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000884315812 590802952 /nfs/dbraw/zinc/80/29/52/590802952.db2.gz BBFFXFJSJXMFIE-INIZCTEOSA-N 2 2 346.431 0.861 20 30 ECEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000884317616 590803433 /nfs/dbraw/zinc/80/34/33/590803433.db2.gz ZBNOLTYCLUPVDK-DGSCNEQVSA-N 2 2 325.416 0.916 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000890373210 591154665 /nfs/dbraw/zinc/15/46/65/591154665.db2.gz RGIBKLSTGORNTG-ULQDDVLXSA-N 2 2 334.464 0.325 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000890373210 591154667 /nfs/dbraw/zinc/15/46/67/591154667.db2.gz RGIBKLSTGORNTG-ULQDDVLXSA-N 2 2 334.464 0.325 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000890371468 591154892 /nfs/dbraw/zinc/15/48/92/591154892.db2.gz WATCKZLOYBWNSP-QGZVFWFLSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000890371468 591154893 /nfs/dbraw/zinc/15/48/93/591154893.db2.gz WATCKZLOYBWNSP-QGZVFWFLSA-N 2 2 336.480 0.836 20 30 ECEDLP C[NH+]1CC[C@@H]2C[NH+](CC#CC[NH+]3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC000931435850 611541793 /nfs/dbraw/zinc/54/17/93/611541793.db2.gz HOZPEHYYXPNRPQ-JVSBHGNQSA-N 4 2 330.520 0.757 20 30 ECEDLP C[NH+]1CC[C@@H]2C[NH+](CC#CC[NH+]3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC000931435850 611541795 /nfs/dbraw/zinc/54/17/95/611541795.db2.gz HOZPEHYYXPNRPQ-JVSBHGNQSA-N 4 2 330.520 0.757 20 30 ECEDLP C[NH+]1CC[C@H]2C[N@H+](CC#CC[NH+]3C[C@H]4CC[NH+](C)C[C@H]4C3)C[C@H]2C1 ZINC000931435850 611541797 /nfs/dbraw/zinc/54/17/97/611541797.db2.gz HOZPEHYYXPNRPQ-JVSBHGNQSA-N 3 2 330.520 0.757 20 30 ECEDLP C[NH+]1CC[C@H]2C[N@@H+](CC#CC[NH+]3C[C@H]4CC[NH+](C)C[C@H]4C3)C[C@H]2C1 ZINC000931435850 611541799 /nfs/dbraw/zinc/54/17/99/611541799.db2.gz HOZPEHYYXPNRPQ-JVSBHGNQSA-N 3 2 330.520 0.757 20 30 ECEDLP C[NH+]1CC[C@@H]2C[NH+](CC#CCN3C[C@@H]4CC[N@@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC000931435850 611541801 /nfs/dbraw/zinc/54/18/01/611541801.db2.gz HOZPEHYYXPNRPQ-JVSBHGNQSA-N 3 2 330.520 0.757 20 30 ECEDLP C[NH+]1CC[C@@H]2C[NH+](CC#CCN3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC000931435850 611541803 /nfs/dbraw/zinc/54/18/03/611541803.db2.gz HOZPEHYYXPNRPQ-JVSBHGNQSA-N 3 2 330.520 0.757 20 30 ECEDLP C[NH+]1CC[C@H]2CN(CC#CC[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)C[C@H]2C1 ZINC000931435850 611541805 /nfs/dbraw/zinc/54/18/05/611541805.db2.gz HOZPEHYYXPNRPQ-JVSBHGNQSA-N 3 2 330.520 0.757 20 30 ECEDLP C[NH+]1CC[C@H]2CN(CC#CC[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)C[C@H]2C1 ZINC000931435850 611541807 /nfs/dbraw/zinc/54/18/07/611541807.db2.gz HOZPEHYYXPNRPQ-JVSBHGNQSA-N 3 2 330.520 0.757 20 30 ECEDLP C[NH+]1CC[C@H]2C[NH+](CC#CCN3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)C[C@H]2C1 ZINC000931435850 611541809 /nfs/dbraw/zinc/54/18/09/611541809.db2.gz HOZPEHYYXPNRPQ-JVSBHGNQSA-N 3 2 330.520 0.757 20 30 ECEDLP C[NH+]1CC[C@H]2C[NH+](CC#CCN3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)C[C@H]2C1 ZINC000931435850 611541811 /nfs/dbraw/zinc/54/18/11/611541811.db2.gz HOZPEHYYXPNRPQ-JVSBHGNQSA-N 3 2 330.520 0.757 20 30 ECEDLP C[NH+]1CC[C@H]2C[N@@H+](CC#CCN3C[C@@H]4C[NH+](C)CC[C@@H]4C3)C[C@H]2C1 ZINC000931435850 611541813 /nfs/dbraw/zinc/54/18/13/611541813.db2.gz HOZPEHYYXPNRPQ-JVSBHGNQSA-N 2 2 330.520 0.757 20 30 ECEDLP C[NH+]1CC[C@H]2C[N@H+](CC#CCN3C[C@@H]4C[NH+](C)CC[C@@H]4C3)C[C@H]2C1 ZINC000931435850 611541815 /nfs/dbraw/zinc/54/18/15/611541815.db2.gz HOZPEHYYXPNRPQ-JVSBHGNQSA-N 2 2 330.520 0.757 20 30 ECEDLP C=CC[NH+]1CC(N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC000941487811 610339204 /nfs/dbraw/zinc/33/92/04/610339204.db2.gz SGUFKARTLPUCDG-UHFFFAOYSA-N 2 2 325.416 0.962 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC000941590408 610386858 /nfs/dbraw/zinc/38/68/58/610386858.db2.gz OMNFAVLDBFSAPY-UHFFFAOYSA-N 2 2 343.475 0.858 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677931 610451079 /nfs/dbraw/zinc/45/10/79/610451079.db2.gz YRIDLMBZTQDCPB-IRXDYDNUSA-N 2 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000923118548 611204858 /nfs/dbraw/zinc/20/48/58/611204858.db2.gz WCCZOQQEKJWXNC-OAGGEKHMSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000923118548 611204859 /nfs/dbraw/zinc/20/48/59/611204859.db2.gz WCCZOQQEKJWXNC-OAGGEKHMSA-N 2 2 336.480 0.881 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000971950283 735429761 /nfs/dbraw/zinc/42/97/61/735429761.db2.gz SMQNYRNEQVVOJN-HOTGVXAUSA-N 2 2 345.447 0.511 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC000971950283 735429766 /nfs/dbraw/zinc/42/97/66/735429766.db2.gz SMQNYRNEQVVOJN-HOTGVXAUSA-N 2 2 345.447 0.511 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1=O ZINC000970581528 733700825 /nfs/dbraw/zinc/70/08/25/733700825.db2.gz KXKTWJMSHHNRMP-ZIAGYGMSSA-N 2 2 331.420 0.238 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]CC2(CCNC(=O)Cc3c[nH]c[nH+]3)CC2)C1=O ZINC001167331541 733797655 /nfs/dbraw/zinc/79/76/55/733797655.db2.gz PMJUGAFZYFSRGV-HNNXBMFYSA-N 2 2 345.447 0.615 20 30 ECEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349745 733970107 /nfs/dbraw/zinc/97/01/07/733970107.db2.gz FJJRZSWCFDEKQV-CQSZACIVSA-N 2 2 335.452 0.861 20 30 ECEDLP CNC(=O)CC1CCN(C(NCC[NH+]2CCSCC2)=[NH+]C)CC1 ZINC000261783870 734330273 /nfs/dbraw/zinc/33/02/73/734330273.db2.gz PQBNBVYMJBXTCX-UHFFFAOYSA-N 2 2 341.525 0.459 20 30 ECEDLP C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971270101 734412677 /nfs/dbraw/zinc/41/26/77/734412677.db2.gz DIAGBUSYDQMCGM-QZTJIDSGSA-N 2 2 342.443 0.922 20 30 ECEDLP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971270101 734412680 /nfs/dbraw/zinc/41/26/80/734412680.db2.gz DIAGBUSYDQMCGM-QZTJIDSGSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971270101 734412682 /nfs/dbraw/zinc/41/26/82/734412682.db2.gz DIAGBUSYDQMCGM-QZTJIDSGSA-N 2 2 342.443 0.922 20 30 ECEDLP C[NH+](Cc1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971270101 734412684 /nfs/dbraw/zinc/41/26/84/734412684.db2.gz DIAGBUSYDQMCGM-QZTJIDSGSA-N 2 2 342.443 0.922 20 30 ECEDLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001078174803 782430093 /nfs/dbraw/zinc/43/00/93/782430093.db2.gz SYOMXENXTHWWPR-USXIJHARSA-N 2 2 346.406 0.310 20 30 ECEDLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001078174803 782430099 /nfs/dbraw/zinc/43/00/99/782430099.db2.gz SYOMXENXTHWWPR-USXIJHARSA-N 2 2 346.406 0.310 20 30 ECEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001078174803 782430107 /nfs/dbraw/zinc/43/01/07/782430107.db2.gz SYOMXENXTHWWPR-USXIJHARSA-N 2 2 346.406 0.310 20 30 ECEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2O)C1 ZINC001078174803 782430112 /nfs/dbraw/zinc/43/01/12/782430112.db2.gz SYOMXENXTHWWPR-USXIJHARSA-N 2 2 346.406 0.310 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069987924 790281996 /nfs/dbraw/zinc/28/19/96/790281996.db2.gz ABQMZHTXGNFOIV-IKGGRYGDSA-N 2 2 344.463 0.680 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069987924 790281999 /nfs/dbraw/zinc/28/19/99/790281999.db2.gz ABQMZHTXGNFOIV-IKGGRYGDSA-N 2 2 344.463 0.680 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CC(=C)C)CCO2 ZINC000972416872 736155310 /nfs/dbraw/zinc/15/53/10/736155310.db2.gz LHDXXQVJLUXAHT-PKOBYXMFSA-N 2 2 331.460 0.963 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CC(=C)C)CCO2 ZINC000972416872 736155312 /nfs/dbraw/zinc/15/53/12/736155312.db2.gz LHDXXQVJLUXAHT-PKOBYXMFSA-N 2 2 331.460 0.963 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CC(=C)C)CCO2 ZINC000972416872 736155314 /nfs/dbraw/zinc/15/53/14/736155314.db2.gz LHDXXQVJLUXAHT-PKOBYXMFSA-N 2 2 331.460 0.963 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CC(=C)C)CCO2 ZINC000972416872 736155315 /nfs/dbraw/zinc/15/53/15/736155315.db2.gz LHDXXQVJLUXAHT-PKOBYXMFSA-N 2 2 331.460 0.963 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC001023424112 736806544 /nfs/dbraw/zinc/80/65/44/736806544.db2.gz OGNWXRBJNWNBNL-WMZOPIPTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC001023424112 736806546 /nfs/dbraw/zinc/80/65/46/736806546.db2.gz OGNWXRBJNWNBNL-WMZOPIPTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2ccn(C)n2)C1 ZINC001023424112 736806550 /nfs/dbraw/zinc/80/65/50/736806550.db2.gz OGNWXRBJNWNBNL-WMZOPIPTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](Cc2ccn(C)n2)C1 ZINC001023424112 736806553 /nfs/dbraw/zinc/80/65/53/736806553.db2.gz OGNWXRBJNWNBNL-WMZOPIPTSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000972658706 737268905 /nfs/dbraw/zinc/26/89/05/737268905.db2.gz GQBQFUYQHLQVKV-GOSISDBHSA-N 2 2 330.432 0.679 20 30 ECEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC000972658706 737268907 /nfs/dbraw/zinc/26/89/07/737268907.db2.gz GQBQFUYQHLQVKV-GOSISDBHSA-N 2 2 330.432 0.679 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001024178733 737800513 /nfs/dbraw/zinc/80/05/13/737800513.db2.gz DGWXNZGJDNOAGL-GDBMZVCRSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001024178734 737800738 /nfs/dbraw/zinc/80/07/38/737800738.db2.gz DGWXNZGJDNOAGL-GOEBONIOSA-N 2 2 345.447 0.567 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCn1nc(C)cc1C ZINC001038369063 741254989 /nfs/dbraw/zinc/25/49/89/741254989.db2.gz SUZKINRGDMRRMG-ROUUACIJSA-N 2 2 343.475 0.788 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCn1nc(C)cc1C ZINC001038369063 741254994 /nfs/dbraw/zinc/25/49/94/741254994.db2.gz SUZKINRGDMRRMG-ROUUACIJSA-N 2 2 343.475 0.788 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCn1nc(C)cc1C ZINC001038369063 741254999 /nfs/dbraw/zinc/25/49/99/741254999.db2.gz SUZKINRGDMRRMG-ROUUACIJSA-N 2 2 343.475 0.788 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCn1nc(C)cc1C ZINC001038369063 741255002 /nfs/dbraw/zinc/25/50/02/741255002.db2.gz SUZKINRGDMRRMG-ROUUACIJSA-N 2 2 343.475 0.788 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105105542 741362368 /nfs/dbraw/zinc/36/23/68/741362368.db2.gz VNZRGGIGXXHMHH-OWCLPIDISA-N 2 2 347.463 0.648 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CCC(NC(=O)Cc3c[nH]c[nH+]3)CC2)C1=O ZINC001026568521 741566352 /nfs/dbraw/zinc/56/63/52/741566352.db2.gz KSNUJYLFNBSRKQ-ZBCRRDGASA-N 2 2 345.447 0.756 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)nn1 ZINC001105312605 741730952 /nfs/dbraw/zinc/73/09/52/741730952.db2.gz UGMVWLAUCHHJQM-MRXNPFEDSA-N 2 2 348.451 0.046 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)nn1 ZINC001105312605 741730955 /nfs/dbraw/zinc/73/09/55/741730955.db2.gz UGMVWLAUCHHJQM-MRXNPFEDSA-N 2 2 348.451 0.046 20 30 ECEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC000982160434 751668467 /nfs/dbraw/zinc/66/84/67/751668467.db2.gz XSQDNTTXKVUYBP-QGZVFWFLSA-N 2 2 331.460 0.655 20 30 ECEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC000982160434 751668470 /nfs/dbraw/zinc/66/84/70/751668470.db2.gz XSQDNTTXKVUYBP-QGZVFWFLSA-N 2 2 331.460 0.655 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)nn1 ZINC001105337091 742428218 /nfs/dbraw/zinc/42/82/18/742428218.db2.gz RSDPSPAQLVZYTG-ZDUSSCGKSA-N 2 2 329.408 0.785 20 30 ECEDLP C[NH+]=C(NCc1cc(C)no1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261947561 742983860 /nfs/dbraw/zinc/98/38/60/742983860.db2.gz GJHZBRBNMYTDLI-UHFFFAOYSA-N 2 2 336.440 0.154 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997830968 743841999 /nfs/dbraw/zinc/84/19/99/743841999.db2.gz FHYDWVDJUHUGCW-INIZCTEOSA-N 2 2 331.420 0.495 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997830968 743842002 /nfs/dbraw/zinc/84/20/02/743842002.db2.gz FHYDWVDJUHUGCW-INIZCTEOSA-N 2 2 331.420 0.495 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C(F)(F)F ZINC000998302920 744108719 /nfs/dbraw/zinc/10/87/19/744108719.db2.gz KKAGZYNHFQYMRH-ZIAGYGMSSA-N 2 2 347.381 0.711 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(OC)no2)C1 ZINC000999391284 744671383 /nfs/dbraw/zinc/67/13/83/744671383.db2.gz JXYIERSXZXEANZ-ZBFHGGJFSA-N 2 2 346.431 0.861 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(OC)no2)C1 ZINC000999391284 744671386 /nfs/dbraw/zinc/67/13/86/744671386.db2.gz JXYIERSXZXEANZ-ZBFHGGJFSA-N 2 2 346.431 0.861 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999391881 744672141 /nfs/dbraw/zinc/67/21/41/744672141.db2.gz NULYEZXKOGQORK-HIFRSBDPSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999391881 744672142 /nfs/dbraw/zinc/67/21/42/744672142.db2.gz NULYEZXKOGQORK-HIFRSBDPSA-N 2 2 333.461 0.716 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001000312715 745421173 /nfs/dbraw/zinc/42/11/73/745421173.db2.gz PEKJITMBJUNDMQ-DZGCQCFKSA-N 2 2 331.420 0.320 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001027804416 747914725 /nfs/dbraw/zinc/91/47/25/747914725.db2.gz AMWFNKJQOSAOPO-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001027804416 747914733 /nfs/dbraw/zinc/91/47/33/747914733.db2.gz AMWFNKJQOSAOPO-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC001027804416 747914738 /nfs/dbraw/zinc/91/47/38/747914738.db2.gz AMWFNKJQOSAOPO-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC001027804416 747914743 /nfs/dbraw/zinc/91/47/43/747914743.db2.gz AMWFNKJQOSAOPO-ZWKOTPCHSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001088241874 747949897 /nfs/dbraw/zinc/94/98/97/747949897.db2.gz JIBAABPKISHGII-QGZVFWFLSA-N 2 2 330.432 0.846 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001088241874 747949904 /nfs/dbraw/zinc/94/99/04/747949904.db2.gz JIBAABPKISHGII-QGZVFWFLSA-N 2 2 330.432 0.846 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ncnn2C)CC1 ZINC000985473054 748207098 /nfs/dbraw/zinc/20/70/98/748207098.db2.gz FRNKXYOBRCYQSY-INIZCTEOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ncnn2C)CC1 ZINC000985473054 748207100 /nfs/dbraw/zinc/20/71/00/748207100.db2.gz FRNKXYOBRCYQSY-INIZCTEOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2ncnn2C)CC1 ZINC000985473054 748207105 /nfs/dbraw/zinc/20/71/05/748207105.db2.gz FRNKXYOBRCYQSY-INIZCTEOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2ncnn2C)CC1 ZINC000985473054 748207112 /nfs/dbraw/zinc/20/71/12/748207112.db2.gz FRNKXYOBRCYQSY-INIZCTEOSA-N 2 2 344.463 0.336 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2nncn2C)C1 ZINC001029758476 748272337 /nfs/dbraw/zinc/27/23/37/748272337.db2.gz ZBIRNVICCCQWGC-HOTGVXAUSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2nncn2C)C1 ZINC001029758476 748272342 /nfs/dbraw/zinc/27/23/42/748272342.db2.gz ZBIRNVICCCQWGC-HOTGVXAUSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2nncn2C)C1 ZINC001029758476 748272345 /nfs/dbraw/zinc/27/23/45/748272345.db2.gz ZBIRNVICCCQWGC-HOTGVXAUSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2nncn2C)C1 ZINC001029758476 748272354 /nfs/dbraw/zinc/27/23/54/748272354.db2.gz ZBIRNVICCCQWGC-HOTGVXAUSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001098682991 753687696 /nfs/dbraw/zinc/68/76/96/753687696.db2.gz MNIVXYHERIHQTI-DLBZAZTESA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098682991 753687697 /nfs/dbraw/zinc/68/76/97/753687697.db2.gz MNIVXYHERIHQTI-DLBZAZTESA-N 2 2 344.463 0.649 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC(=O)N3CCC3)C2)CC1 ZINC001009630620 755092386 /nfs/dbraw/zinc/09/23/86/755092386.db2.gz XSIHJXLGMOVPBR-KRWDZBQOSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=O)N3CCC3)C2)CC1 ZINC001009630620 755092391 /nfs/dbraw/zinc/09/23/91/755092391.db2.gz XSIHJXLGMOVPBR-KRWDZBQOSA-N 2 2 346.475 0.145 20 30 ECEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168356420 755208933 /nfs/dbraw/zinc/20/89/33/755208933.db2.gz OMNWSMZJVZQRKG-UHFFFAOYSA-N 2 2 343.431 0.583 20 30 ECEDLP C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001126436959 755314485 /nfs/dbraw/zinc/31/44/85/755314485.db2.gz PBYQJEGPNICIBP-UHFFFAOYSA-N 2 2 339.399 0.668 20 30 ECEDLP C=C(C)CC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477520 755607870 /nfs/dbraw/zinc/60/78/70/755607870.db2.gz RUQCPDNFYUFQCX-ZACQAIPSSA-N 2 2 347.463 0.918 20 30 ECEDLP C=C(C)CC[NH+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477520 755607871 /nfs/dbraw/zinc/60/78/71/755607871.db2.gz RUQCPDNFYUFQCX-ZACQAIPSSA-N 2 2 347.463 0.918 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477520 755607873 /nfs/dbraw/zinc/60/78/73/755607873.db2.gz RUQCPDNFYUFQCX-ZACQAIPSSA-N 2 2 347.463 0.918 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@@H](O)C1 ZINC001083477520 755607874 /nfs/dbraw/zinc/60/78/74/755607874.db2.gz RUQCPDNFYUFQCX-ZACQAIPSSA-N 2 2 347.463 0.918 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC3(CCC3)C2)C[C@@H]1O ZINC001083535951 755975980 /nfs/dbraw/zinc/97/59/80/755975980.db2.gz WBKDVIOBDAVBAC-SQNIBIBYSA-N 2 2 345.487 0.826 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)C[C@@H]1O ZINC001083535951 755975983 /nfs/dbraw/zinc/97/59/83/755975983.db2.gz WBKDVIOBDAVBAC-SQNIBIBYSA-N 2 2 345.487 0.826 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC3(CCC3)C2)C[C@@H]1O ZINC001083535951 755975985 /nfs/dbraw/zinc/97/59/85/755975985.db2.gz WBKDVIOBDAVBAC-SQNIBIBYSA-N 2 2 345.487 0.826 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC3(CCC3)C2)C[C@@H]1O ZINC001083535951 755975991 /nfs/dbraw/zinc/97/59/91/755975991.db2.gz WBKDVIOBDAVBAC-SQNIBIBYSA-N 2 2 345.487 0.826 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(CC)s2)C1 ZINC001022220560 758441474 /nfs/dbraw/zinc/44/14/74/758441474.db2.gz KBDQOMIPPMQVJN-MJBXVCDLSA-N 2 2 347.488 0.935 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(CC)s2)C1 ZINC001022220560 758441480 /nfs/dbraw/zinc/44/14/80/758441480.db2.gz KBDQOMIPPMQVJN-MJBXVCDLSA-N 2 2 347.488 0.935 20 30 ECEDLP CC[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)C1 ZINC001032201841 759581956 /nfs/dbraw/zinc/58/19/56/759581956.db2.gz KQDALSNEIVERAW-IBGZPJMESA-N 2 2 341.455 0.807 20 30 ECEDLP CC[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)C1 ZINC001032201841 759581960 /nfs/dbraw/zinc/58/19/60/759581960.db2.gz KQDALSNEIVERAW-IBGZPJMESA-N 2 2 341.455 0.807 20 30 ECEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051028018 761361140 /nfs/dbraw/zinc/36/11/40/761361140.db2.gz BPOISTOBZLNGOH-GARNVTTQSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051028018 761361148 /nfs/dbraw/zinc/36/11/48/761361148.db2.gz BPOISTOBZLNGOH-GARNVTTQSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051028018 761361156 /nfs/dbraw/zinc/36/11/56/761361156.db2.gz BPOISTOBZLNGOH-GARNVTTQSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051028018 761361161 /nfs/dbraw/zinc/36/11/61/761361161.db2.gz BPOISTOBZLNGOH-GARNVTTQSA-N 2 2 335.448 0.243 20 30 ECEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001051082269 761456357 /nfs/dbraw/zinc/45/63/57/761456357.db2.gz XEHBAFKBAIHJOB-HZPDHXFCSA-N 2 2 325.453 0.489 20 30 ECEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082269 761456359 /nfs/dbraw/zinc/45/63/59/761456359.db2.gz XEHBAFKBAIHJOB-HZPDHXFCSA-N 2 2 325.453 0.489 20 30 ECEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001051082269 761456362 /nfs/dbraw/zinc/45/63/62/761456362.db2.gz XEHBAFKBAIHJOB-HZPDHXFCSA-N 2 2 325.453 0.489 20 30 ECEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001051082269 761456365 /nfs/dbraw/zinc/45/63/65/761456365.db2.gz XEHBAFKBAIHJOB-HZPDHXFCSA-N 2 2 325.453 0.489 20 30 ECEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001051160701 761585231 /nfs/dbraw/zinc/58/52/31/761585231.db2.gz UZYSDLOBWJAVAI-MRXNPFEDSA-N 2 2 335.452 0.451 20 30 ECEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001051160701 761585234 /nfs/dbraw/zinc/58/52/34/761585234.db2.gz UZYSDLOBWJAVAI-MRXNPFEDSA-N 2 2 335.452 0.451 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052044730 763680157 /nfs/dbraw/zinc/68/01/57/763680157.db2.gz KYWRJSPCSRVTTQ-ROUUACIJSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052044730 763680162 /nfs/dbraw/zinc/68/01/62/763680162.db2.gz KYWRJSPCSRVTTQ-ROUUACIJSA-N 2 2 332.492 0.713 20 30 ECEDLP N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001052056856 763728344 /nfs/dbraw/zinc/72/83/44/763728344.db2.gz IBPXCVZNCXMAFJ-MSOLQXFVSA-N 2 2 345.491 0.603 20 30 ECEDLP C[C@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)[NH+]1CCCCCC1 ZINC001052094051 763840014 /nfs/dbraw/zinc/84/00/14/763840014.db2.gz WKBKEDOSAZVRCJ-MSOLQXFVSA-N 2 2 347.507 0.993 20 30 ECEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001047528959 764605873 /nfs/dbraw/zinc/60/58/73/764605873.db2.gz LALAUBRWHDYJST-IRXDYDNUSA-N 2 2 346.431 0.411 20 30 ECEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001047528959 764605879 /nfs/dbraw/zinc/60/58/79/764605879.db2.gz LALAUBRWHDYJST-IRXDYDNUSA-N 2 2 346.431 0.411 20 30 ECEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001046048963 766781635 /nfs/dbraw/zinc/78/16/35/766781635.db2.gz GYSJLDRAAJMEGS-KRWDZBQOSA-N 2 2 329.448 0.515 20 30 ECEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001046048963 766781639 /nfs/dbraw/zinc/78/16/39/766781639.db2.gz GYSJLDRAAJMEGS-KRWDZBQOSA-N 2 2 329.448 0.515 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH+](CC(=C)C)C3)C2)CC1 ZINC001054015286 767603989 /nfs/dbraw/zinc/60/39/89/767603989.db2.gz FTKHKZNEZIRUQI-QGZVFWFLSA-N 2 2 331.460 0.867 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001018266448 769001328 /nfs/dbraw/zinc/00/13/28/769001328.db2.gz OJEVELVQIJQZBB-WCXIOVBPSA-N 2 2 346.475 0.400 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001018266448 769001338 /nfs/dbraw/zinc/00/13/38/769001338.db2.gz OJEVELVQIJQZBB-WCXIOVBPSA-N 2 2 346.475 0.400 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001018266448 769001347 /nfs/dbraw/zinc/00/13/47/769001347.db2.gz OJEVELVQIJQZBB-WCXIOVBPSA-N 2 2 346.475 0.400 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001018266448 769001357 /nfs/dbraw/zinc/00/13/57/769001357.db2.gz OJEVELVQIJQZBB-WCXIOVBPSA-N 2 2 346.475 0.400 20 30 ECEDLP C=C(C)CCC(=O)NCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001055584687 769183116 /nfs/dbraw/zinc/18/31/16/769183116.db2.gz NMEMLOYFMLGAIP-UHFFFAOYSA-N 2 2 347.463 0.936 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC001018985995 770483736 /nfs/dbraw/zinc/48/37/36/770483736.db2.gz PKKQQDMIDAEMHT-HOTGVXAUSA-N 2 2 327.432 0.573 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(C)cn2)C1 ZINC001018985995 770483742 /nfs/dbraw/zinc/48/37/42/770483742.db2.gz PKKQQDMIDAEMHT-HOTGVXAUSA-N 2 2 327.432 0.573 20 30 ECEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC1 ZINC001083749729 770564356 /nfs/dbraw/zinc/56/43/56/770564356.db2.gz OONUVBLRKLMXSK-CVEARBPZSA-N 2 2 348.472 0.623 20 30 ECEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]2O)CC1 ZINC001083749729 770564362 /nfs/dbraw/zinc/56/43/62/770564362.db2.gz OONUVBLRKLMXSK-CVEARBPZSA-N 2 2 348.472 0.623 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001045062344 774918152 /nfs/dbraw/zinc/91/81/52/774918152.db2.gz YKWNGJFSKNQIBC-JKSUJKDBSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001045062344 774918154 /nfs/dbraw/zinc/91/81/54/774918154.db2.gz YKWNGJFSKNQIBC-JKSUJKDBSA-N 2 2 345.447 0.710 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001045073483 774936468 /nfs/dbraw/zinc/93/64/68/774936468.db2.gz HJFNNXHDWQSEMX-GJZGRUSLSA-N 2 2 331.420 0.556 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C)no1 ZINC001045073483 774936471 /nfs/dbraw/zinc/93/64/71/774936471.db2.gz HJFNNXHDWQSEMX-GJZGRUSLSA-N 2 2 331.420 0.556 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001080137519 777441184 /nfs/dbraw/zinc/44/11/84/777441184.db2.gz GALLGNWBWNTMRM-FVQBIDKESA-N 2 2 345.447 0.415 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001080137519 777441193 /nfs/dbraw/zinc/44/11/93/777441193.db2.gz GALLGNWBWNTMRM-FVQBIDKESA-N 2 2 345.447 0.415 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@H](C)O2 ZINC001071192771 784706119 /nfs/dbraw/zinc/70/61/19/784706119.db2.gz RKPMAHQESUYAQO-FUHWJXTLSA-N 2 2 330.432 0.907 20 30 ECEDLP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@H](C)O2 ZINC001071192771 784706129 /nfs/dbraw/zinc/70/61/29/784706129.db2.gz RKPMAHQESUYAQO-FUHWJXTLSA-N 2 2 330.432 0.907 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3OCC[N@@H+](CCCO)[C@@H]3C2)CC1 ZINC001074415141 786912861 /nfs/dbraw/zinc/91/28/61/786912861.db2.gz LAPKLCMMYCMKDF-QZTJIDSGSA-N 2 2 349.475 0.016 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3OCC[N@H+](CCCO)[C@@H]3C2)CC1 ZINC001074415141 786912866 /nfs/dbraw/zinc/91/28/66/786912866.db2.gz LAPKLCMMYCMKDF-QZTJIDSGSA-N 2 2 349.475 0.016 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)Cc4c[nH+]c[nH]4)C3)C2)C1=O ZINC001073018633 789283121 /nfs/dbraw/zinc/28/31/21/789283121.db2.gz GRAOJYYYVUFIJL-HNNXBMFYSA-N 2 2 343.431 0.273 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)Cc4c[nH+]c[nH]4)C3)C2)C1=O ZINC001073018633 789283125 /nfs/dbraw/zinc/28/31/25/789283125.db2.gz GRAOJYYYVUFIJL-HNNXBMFYSA-N 2 2 343.431 0.273 20 30 ECEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069959142 790241596 /nfs/dbraw/zinc/24/15/96/790241596.db2.gz GDYLUFRGIVAWQR-SJORKVTESA-N 2 2 349.398 0.833 20 30 ECEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](n2ccnn2)C1 ZINC001069959142 790241599 /nfs/dbraw/zinc/24/15/99/790241599.db2.gz GDYLUFRGIVAWQR-SJORKVTESA-N 2 2 349.398 0.833 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266345724 835735099 /nfs/dbraw/zinc/73/50/99/835735099.db2.gz XTXJMILSCUEOIS-CVEARBPZSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266345724 835735107 /nfs/dbraw/zinc/73/51/07/835735107.db2.gz XTXJMILSCUEOIS-CVEARBPZSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266790848 836308627 /nfs/dbraw/zinc/30/86/27/836308627.db2.gz PKVPGABKESHVQZ-AWEZNQCLSA-N 2 2 333.436 0.473 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266790848 836308639 /nfs/dbraw/zinc/30/86/39/836308639.db2.gz PKVPGABKESHVQZ-AWEZNQCLSA-N 2 2 333.436 0.473 20 30 ECEDLP CN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267360142 837249813 /nfs/dbraw/zinc/24/98/13/837249813.db2.gz XYZQJHRUCOIQSO-INIZCTEOSA-N 2 2 334.395 0.576 20 30 ECEDLP CN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267360142 837249818 /nfs/dbraw/zinc/24/98/18/837249818.db2.gz XYZQJHRUCOIQSO-INIZCTEOSA-N 2 2 334.395 0.576 20 30 ECEDLP COCC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267584758 837858573 /nfs/dbraw/zinc/85/85/73/837858573.db2.gz HXGYQRBXCVEKKC-SJORKVTESA-N 2 2 344.459 0.876 20 30 ECEDLP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267584758 837858585 /nfs/dbraw/zinc/85/85/85/837858585.db2.gz HXGYQRBXCVEKKC-SJORKVTESA-N 2 2 344.459 0.876 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267629000 838083480 /nfs/dbraw/zinc/08/34/80/838083480.db2.gz IFFAXHFAZDYTMM-PMPSAXMXSA-N 2 2 336.480 0.742 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267629000 838083484 /nfs/dbraw/zinc/08/34/84/838083484.db2.gz IFFAXHFAZDYTMM-PMPSAXMXSA-N 2 2 336.480 0.742 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267629000 838083496 /nfs/dbraw/zinc/08/34/96/838083496.db2.gz IFFAXHFAZDYTMM-PMPSAXMXSA-N 2 2 336.480 0.742 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267629000 838083509 /nfs/dbraw/zinc/08/35/09/838083509.db2.gz IFFAXHFAZDYTMM-PMPSAXMXSA-N 2 2 336.480 0.742 20 30 ECEDLP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001267811226 838595182 /nfs/dbraw/zinc/59/51/82/838595182.db2.gz QSNWTESZSSHWJC-KBPBESRZSA-N 2 2 333.436 0.232 20 30 ECEDLP C=CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001267842684 838640534 /nfs/dbraw/zinc/64/05/34/838640534.db2.gz AWUYJQUGGBBVGX-ZDUSSCGKSA-N 2 2 333.436 0.662 20 30 ECEDLP C[C@@H]1CCCC[C@]1(C[NH2+]CC(=O)NCC#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001267874684 838670433 /nfs/dbraw/zinc/67/04/33/838670433.db2.gz YBHJOLPGHSZGRH-CXAGYDPISA-N 2 2 346.435 0.247 20 30 ECEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001267987369 838926181 /nfs/dbraw/zinc/92/61/81/838926181.db2.gz UWFLUEDFQUCSKV-RHSMWYFYSA-N 2 2 347.463 0.782 20 30 ECEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001267987369 838926191 /nfs/dbraw/zinc/92/61/91/838926191.db2.gz UWFLUEDFQUCSKV-RHSMWYFYSA-N 2 2 347.463 0.782 20 30 ECEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001267987371 838927297 /nfs/dbraw/zinc/92/72/97/838927297.db2.gz UWFLUEDFQUCSKV-YOEHRIQHSA-N 2 2 347.463 0.782 20 30 ECEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001267987371 838927310 /nfs/dbraw/zinc/92/73/10/838927310.db2.gz UWFLUEDFQUCSKV-YOEHRIQHSA-N 2 2 347.463 0.782 20 30 ECEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)CC1 ZINC000366393379 266147218 /nfs/dbraw/zinc/14/72/18/266147218.db2.gz RAOSNRLBBTVOEY-CQSZACIVSA-N 2 2 345.451 0.339 20 30 ECEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000330276668 295385151 /nfs/dbraw/zinc/38/51/51/295385151.db2.gz NFUDIZALGUMNQO-HUUCEWRRSA-N 2 2 333.436 0.909 20 30 ECEDLP C=CCCC[C@H](C)[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000091508439 436453289 /nfs/dbraw/zinc/45/32/89/436453289.db2.gz NXLPMUGSYBOBGC-INIZCTEOSA-N 2 2 344.525 0.841 20 30 ECEDLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000103492645 436555937 /nfs/dbraw/zinc/55/59/37/436555937.db2.gz RKRBPAJIQNAWML-HNNXBMFYSA-N 2 2 337.468 0.233 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(N3CCCCC3=O)CC2)CC1 ZINC000153268960 436753502 /nfs/dbraw/zinc/75/35/02/436753502.db2.gz IHKPLHQBHPVRGW-UHFFFAOYSA-N 2 2 346.475 0.241 20 30 ECEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)N1CCN(C(C)=O)CC1 ZINC000263251343 436957965 /nfs/dbraw/zinc/95/79/65/436957965.db2.gz OSJNEZTVNXTRKS-UHFFFAOYSA-N 2 2 349.504 0.846 20 30 ECEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)N1CCN(C(C)=O)CC1 ZINC000263251343 436957967 /nfs/dbraw/zinc/95/79/67/436957967.db2.gz OSJNEZTVNXTRKS-UHFFFAOYSA-N 2 2 349.504 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)CC1 ZINC000176670908 437153481 /nfs/dbraw/zinc/15/34/81/437153481.db2.gz NISYMFALSIWZQN-LJQANCHMSA-N 2 2 346.519 0.960 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000181089532 437309461 /nfs/dbraw/zinc/30/94/61/437309461.db2.gz ZZTASHXSVZNHHJ-QGZVFWFLSA-N 2 2 346.479 0.897 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000181089532 437309466 /nfs/dbraw/zinc/30/94/66/437309466.db2.gz ZZTASHXSVZNHHJ-QGZVFWFLSA-N 2 2 346.479 0.897 20 30 ECEDLP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000329384616 437361848 /nfs/dbraw/zinc/36/18/48/437361848.db2.gz RSDOQMNPMNQBRS-HOTGVXAUSA-N 2 2 341.500 0.093 20 30 ECEDLP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000329384616 437361849 /nfs/dbraw/zinc/36/18/49/437361849.db2.gz RSDOQMNPMNQBRS-HOTGVXAUSA-N 2 2 341.500 0.093 20 30 ECEDLP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000330184286 437466914 /nfs/dbraw/zinc/46/69/14/437466914.db2.gz IKTDOEXRHKZSQT-AWEZNQCLSA-N 2 2 333.436 0.909 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCCC#N ZINC000343145666 437516593 /nfs/dbraw/zinc/51/65/93/437516593.db2.gz WPCMDDQAIBZVFZ-UHFFFAOYSA-N 2 2 337.468 0.281 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCCC#N ZINC000343145666 437516596 /nfs/dbraw/zinc/51/65/96/437516596.db2.gz WPCMDDQAIBZVFZ-UHFFFAOYSA-N 2 2 337.468 0.281 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361532640 437667416 /nfs/dbraw/zinc/66/74/16/437667416.db2.gz YVHFGWSIJYAGQP-CYBMUJFWSA-N 2 2 347.419 0.613 20 30 ECEDLP Cn1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2=O)cc1C#N ZINC000364576410 437817570 /nfs/dbraw/zinc/81/75/70/437817570.db2.gz LRIPNKVHUPWHNF-KRWDZBQOSA-N 2 2 345.447 0.310 20 30 ECEDLP C[C@H](C[NH+]1CCOCC1)C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000347720038 437939888 /nfs/dbraw/zinc/93/98/88/437939888.db2.gz GYQIIHWFLPZXLD-MRXNPFEDSA-N 2 2 338.452 0.029 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372839662 438113892 /nfs/dbraw/zinc/11/38/92/438113892.db2.gz QBTDBBSUJXAUGR-ZWKOTPCHSA-N 2 2 349.523 0.954 20 30 ECEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372839662 438113898 /nfs/dbraw/zinc/11/38/98/438113898.db2.gz QBTDBBSUJXAUGR-ZWKOTPCHSA-N 2 2 349.523 0.954 20 30 ECEDLP C[NH+](C)CCn1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cn1 ZINC000601023982 438811663 /nfs/dbraw/zinc/81/16/63/438811663.db2.gz OHHDADNBOVYTEY-UHFFFAOYSA-N 2 2 348.451 0.133 20 30 ECEDLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)CC1 ZINC000602854587 439145670 /nfs/dbraw/zinc/14/56/70/439145670.db2.gz CTNRYDGQIPDVMD-HZPDHXFCSA-N 2 2 335.496 0.894 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000603600490 439274203 /nfs/dbraw/zinc/27/42/03/439274203.db2.gz XGDKJYWPPTXTEK-UHFFFAOYSA-N 2 2 332.452 0.887 20 30 ECEDLP C[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000526283453 439244083 /nfs/dbraw/zinc/24/40/83/439244083.db2.gz FJSMFIJGQNFXKZ-CVEARBPZSA-N 2 2 333.480 0.507 20 30 ECEDLP C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000526283453 439244089 /nfs/dbraw/zinc/24/40/89/439244089.db2.gz FJSMFIJGQNFXKZ-CVEARBPZSA-N 2 2 333.480 0.507 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC000490695183 439287447 /nfs/dbraw/zinc/28/74/47/439287447.db2.gz CBFMLCWUPQPGGC-INIZCTEOSA-N 2 2 336.480 0.391 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC000490695183 439287450 /nfs/dbraw/zinc/28/74/50/439287450.db2.gz CBFMLCWUPQPGGC-INIZCTEOSA-N 2 2 336.480 0.391 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(c3ccnn3CC)CC2)CC1 ZINC000491242893 439353788 /nfs/dbraw/zinc/35/37/88/439353788.db2.gz SQARCGLQIIEPCP-UHFFFAOYSA-N 2 2 343.475 0.860 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000491568651 439407556 /nfs/dbraw/zinc/40/75/56/439407556.db2.gz ROAWNHSAJROPPA-UHFFFAOYSA-N 2 2 344.415 0.847 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000491568651 439407560 /nfs/dbraw/zinc/40/75/60/439407560.db2.gz ROAWNHSAJROPPA-UHFFFAOYSA-N 2 2 344.415 0.847 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000491523370 439400100 /nfs/dbraw/zinc/40/01/00/439400100.db2.gz DLLCFEIMMLPPAF-QGZVFWFLSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000491523370 439400107 /nfs/dbraw/zinc/40/01/07/439400107.db2.gz DLLCFEIMMLPPAF-QGZVFWFLSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[NH+]2CCCC[C@H]2C)CC1 ZINC000491523370 439400109 /nfs/dbraw/zinc/40/01/09/439400109.db2.gz DLLCFEIMMLPPAF-QGZVFWFLSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[NH+]2CCCC[C@H]2C)CC1 ZINC000491523370 439400117 /nfs/dbraw/zinc/40/01/17/439400117.db2.gz DLLCFEIMMLPPAF-QGZVFWFLSA-N 2 2 348.491 0.535 20 30 ECEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000570038267 439385829 /nfs/dbraw/zinc/38/58/29/439385829.db2.gz ZWQZEWSGMAWZPX-ROUUACIJSA-N 2 2 333.476 0.990 20 30 ECEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000570038267 439385834 /nfs/dbraw/zinc/38/58/34/439385834.db2.gz ZWQZEWSGMAWZPX-ROUUACIJSA-N 2 2 333.476 0.990 20 30 ECEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000609167258 439553833 /nfs/dbraw/zinc/55/38/33/439553833.db2.gz QHJFNPZQQFXLPJ-UHFFFAOYSA-N 2 2 327.392 0.970 20 30 ECEDLP CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000594803964 439616028 /nfs/dbraw/zinc/61/60/28/439616028.db2.gz SBZSNDUMIJLKPF-GJZGRUSLSA-N 2 2 347.529 0.574 20 30 ECEDLP CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000594803964 439616029 /nfs/dbraw/zinc/61/60/29/439616029.db2.gz SBZSNDUMIJLKPF-GJZGRUSLSA-N 2 2 347.529 0.574 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc(F)cc1C#N ZINC000594822230 439621776 /nfs/dbraw/zinc/62/17/76/439621776.db2.gz SXYKTNWCIIQYBR-UHFFFAOYSA-N 2 2 342.440 0.859 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(F)cc1C#N ZINC000594822230 439621781 /nfs/dbraw/zinc/62/17/81/439621781.db2.gz SXYKTNWCIIQYBR-UHFFFAOYSA-N 2 2 342.440 0.859 20 30 ECEDLP CC#CC[C@@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000645229307 440765760 /nfs/dbraw/zinc/76/57/60/440765760.db2.gz YFTSRCAECHEGFG-INIZCTEOSA-N 2 2 336.480 0.619 20 30 ECEDLP C=CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H](C)COC ZINC000661243631 440818824 /nfs/dbraw/zinc/81/88/24/440818824.db2.gz LGPUYBCWZFZCTM-HNNXBMFYSA-N 2 2 327.469 0.736 20 30 ECEDLP C=CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H](C)COC ZINC000661243631 440818828 /nfs/dbraw/zinc/81/88/28/440818828.db2.gz LGPUYBCWZFZCTM-HNNXBMFYSA-N 2 2 327.469 0.736 20 30 ECEDLP C=C[C@H](CO)[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000662165531 440978810 /nfs/dbraw/zinc/97/88/10/440978810.db2.gz IDGSAFGRQVKAJB-QGZVFWFLSA-N 2 2 333.432 0.272 20 30 ECEDLP C[NH+]1CCC(CNC(=O)NCCn2cncn2)([NH+]2CCCCC2)CC1 ZINC000329811832 546034485 /nfs/dbraw/zinc/03/44/85/546034485.db2.gz RSDPVIQLXSNPCF-UHFFFAOYSA-N 2 2 349.483 0.732 20 30 ECEDLP C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668638936 547709310 /nfs/dbraw/zinc/70/93/10/547709310.db2.gz DCQQLZXKKRXOMX-WBVHZDCISA-N 2 2 336.480 0.742 20 30 ECEDLP C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668638936 547709312 /nfs/dbraw/zinc/70/93/12/547709312.db2.gz DCQQLZXKKRXOMX-WBVHZDCISA-N 2 2 336.480 0.742 20 30 ECEDLP CC(CCCC[NH+](C)C)=NNC(=S)NCC[NH+]1CCOCC1 ZINC000781117449 578705354 /nfs/dbraw/zinc/70/53/54/578705354.db2.gz RLOXFRVIBGDFER-UHFFFAOYSA-N 2 2 329.514 0.891 20 30 ECEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3cc(Cl)nc(N)n3)cn2)CC1 ZINC000778548610 579309727 /nfs/dbraw/zinc/30/97/27/579309727.db2.gz GJPJGLCKMZEEEW-UHFFFAOYSA-N 2 2 347.814 0.700 20 30 ECEDLP C#CCC1(O)CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000895670940 586197727 /nfs/dbraw/zinc/19/77/27/586197727.db2.gz XYKDRXANOGTSKE-UHFFFAOYSA-N 2 2 329.448 0.579 20 30 ECEDLP C=C(CC[NH+](C)C)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000900066469 586522267 /nfs/dbraw/zinc/52/22/67/586522267.db2.gz FHGHYEJCSPEWCZ-UHFFFAOYSA-N 2 2 343.435 0.520 20 30 ECEDLP C=CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903722288 586801911 /nfs/dbraw/zinc/80/19/11/586801911.db2.gz KDCPLWWHFAVUAF-LSDHHAIUSA-N 2 2 328.478 0.820 20 30 ECEDLP C=CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903722288 586801913 /nfs/dbraw/zinc/80/19/13/586801913.db2.gz KDCPLWWHFAVUAF-LSDHHAIUSA-N 2 2 328.478 0.820 20 30 ECEDLP C=CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209495 587091177 /nfs/dbraw/zinc/09/11/77/587091177.db2.gz CLAUCSBSGOYBIC-OAHLLOKOSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000806209495 587091179 /nfs/dbraw/zinc/09/11/79/587091179.db2.gz CLAUCSBSGOYBIC-OAHLLOKOSA-N 2 2 336.480 0.694 20 30 ECEDLP C[C@H]1CN(c2ccc(CNC(=O)C#CC3CC[NH2+]CC3)c[nH+]2)CCO1 ZINC000852857865 589518736 /nfs/dbraw/zinc/51/87/36/589518736.db2.gz IKQFQGYLLVMSAU-HNNXBMFYSA-N 2 2 342.443 0.926 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2[C@H](C)CC(C(=O)OC)C[C@H]2C)CC1 ZINC000860188313 589751782 /nfs/dbraw/zinc/75/17/82/589751782.db2.gz LPLIQTXMRSBYBA-HUUCEWRRSA-N 2 2 335.448 0.426 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](O)(c3ccccc3)C2)CC1 ZINC000859586126 589852293 /nfs/dbraw/zinc/85/22/93/589852293.db2.gz HEWOJJMIKPFBOE-HXUWFJFHSA-N 2 2 341.455 0.747 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)CC1 ZINC000859586126 589852294 /nfs/dbraw/zinc/85/22/94/589852294.db2.gz HEWOJJMIKPFBOE-HXUWFJFHSA-N 2 2 341.455 0.747 20 30 ECEDLP Cc1nn(C[C@@H](O)C[N@H+](C)CCC#N)c(C)c1[C@H]1COCC[NH+]1C ZINC000871986702 590095835 /nfs/dbraw/zinc/09/58/35/590095835.db2.gz PAWUAYPOUBYYFH-JKSUJKDBSA-N 2 2 335.452 0.709 20 30 ECEDLP Cc1nn(C[C@@H](O)C[N@@H+](C)CCC#N)c(C)c1[C@H]1COCC[NH+]1C ZINC000871986702 590095841 /nfs/dbraw/zinc/09/58/41/590095841.db2.gz PAWUAYPOUBYYFH-JKSUJKDBSA-N 2 2 335.452 0.709 20 30 ECEDLP Cc1nn(C[C@@H](O)C[NH+](C)CCC#N)c(C)c1[C@H]1COCC[N@@H+]1C ZINC000871986702 590095843 /nfs/dbraw/zinc/09/58/43/590095843.db2.gz PAWUAYPOUBYYFH-JKSUJKDBSA-N 2 2 335.452 0.709 20 30 ECEDLP Cc1nn(C[C@@H](O)C[NH+](C)CCC#N)c(C)c1[C@H]1COCC[N@H+]1C ZINC000871986702 590095846 /nfs/dbraw/zinc/09/58/46/590095846.db2.gz PAWUAYPOUBYYFH-JKSUJKDBSA-N 2 2 335.452 0.709 20 30 ECEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000876776392 590413635 /nfs/dbraw/zinc/41/36/35/590413635.db2.gz CJNJKXVGLNYMSB-KGLIPLIRSA-N 2 2 342.871 0.611 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000884224697 590781713 /nfs/dbraw/zinc/78/17/13/590781713.db2.gz WRSVSKKAUWRXIW-INIZCTEOSA-N 2 2 345.443 0.648 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000884306223 590800527 /nfs/dbraw/zinc/80/05/27/590800527.db2.gz YOUSCDANUKPPEN-HOTGVXAUSA-N 2 2 331.416 0.948 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000884306223 590800532 /nfs/dbraw/zinc/80/05/32/590800532.db2.gz YOUSCDANUKPPEN-HOTGVXAUSA-N 2 2 331.416 0.948 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000941431226 610312188 /nfs/dbraw/zinc/31/21/88/610312188.db2.gz KUALMAFMLXKBRG-GOSISDBHSA-N 2 2 332.492 0.713 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431226 610312190 /nfs/dbraw/zinc/31/21/90/610312190.db2.gz KUALMAFMLXKBRG-GOSISDBHSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC000941531666 610362911 /nfs/dbraw/zinc/36/29/11/610362911.db2.gz CYVLEEXAIBEBBE-QGZVFWFLSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941531666 610362914 /nfs/dbraw/zinc/36/29/14/610362914.db2.gz CYVLEEXAIBEBBE-QGZVFWFLSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000941636847 610422823 /nfs/dbraw/zinc/42/28/23/610422823.db2.gz WFTWUQCGCDVNEB-ZWKOTPCHSA-N 2 2 346.519 0.959 20 30 ECEDLP C=CC[NH+]1CCN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)CC1 ZINC001165032065 721869921 /nfs/dbraw/zinc/86/99/21/721869921.db2.gz FWGKIRTULRCCOF-UHFFFAOYSA-N 2 2 330.436 0.224 20 30 ECEDLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000969439548 731887353 /nfs/dbraw/zinc/88/73/53/731887353.db2.gz BJOQMRSFHCJAAY-RDTXWAMCSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000969439548 731887354 /nfs/dbraw/zinc/88/73/54/731887354.db2.gz BJOQMRSFHCJAAY-RDTXWAMCSA-N 2 2 342.443 0.825 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261942684 734804409 /nfs/dbraw/zinc/80/44/09/734804409.db2.gz DVYCKDZWTKZLOW-GVDBMIGSSA-N 3 2 345.495 0.341 20 30 ECEDLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C(C)(C)C#N)CC2)C1=O ZINC001143398306 734877349 /nfs/dbraw/zinc/87/73/49/734877349.db2.gz HZYHBKICKXDCIL-UHFFFAOYSA-N 2 2 349.479 0.233 20 30 ECEDLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C(C)(C)C#N)CC2)C1=O ZINC001143398306 734877350 /nfs/dbraw/zinc/87/73/50/734877350.db2.gz HZYHBKICKXDCIL-UHFFFAOYSA-N 2 2 349.479 0.233 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC000972040948 735546744 /nfs/dbraw/zinc/54/67/44/735546744.db2.gz VOOVXBMQGCIHRR-JKSUJKDBSA-N 2 2 345.447 0.593 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)C1=O ZINC000972040948 735546747 /nfs/dbraw/zinc/54/67/47/735546747.db2.gz VOOVXBMQGCIHRR-JKSUJKDBSA-N 2 2 345.447 0.593 20 30 ECEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC000972386700 736056578 /nfs/dbraw/zinc/05/65/78/736056578.db2.gz GWTXLNKBCPIOOC-SFHVURJKSA-N 2 2 347.463 0.548 20 30 ECEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC000972386700 736056582 /nfs/dbraw/zinc/05/65/82/736056582.db2.gz GWTXLNKBCPIOOC-SFHVURJKSA-N 2 2 347.463 0.548 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972441865 736204845 /nfs/dbraw/zinc/20/48/45/736204845.db2.gz VZKINNCWEPFELN-VQIMIIECSA-N 2 2 342.443 0.772 20 30 ECEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000972441865 736204847 /nfs/dbraw/zinc/20/48/47/736204847.db2.gz VZKINNCWEPFELN-VQIMIIECSA-N 2 2 342.443 0.772 20 30 ECEDLP C=CCC[NH2+]Cc1cn(C2CN(C(=O)CCc3[nH]cc[nH+]3)C2)nn1 ZINC001105223970 741501992 /nfs/dbraw/zinc/50/19/92/741501992.db2.gz QQXZBBYFMJYDCF-UHFFFAOYSA-N 2 2 329.408 0.683 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)nn1 ZINC001105256667 741571773 /nfs/dbraw/zinc/57/17/73/741571773.db2.gz MXTTUCVQBQMZDP-HNNXBMFYSA-N 2 2 344.463 0.362 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)nn1 ZINC001105256667 741571775 /nfs/dbraw/zinc/57/17/75/741571775.db2.gz MXTTUCVQBQMZDP-HNNXBMFYSA-N 2 2 344.463 0.362 20 30 ECEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C[NH+](C)C)on3)C2)nn1 ZINC001105275392 741621345 /nfs/dbraw/zinc/62/13/45/741621345.db2.gz OSRYRNDEPVKGBB-UHFFFAOYSA-N 2 2 345.407 0.300 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(C)no2)C1 ZINC001026894093 742039191 /nfs/dbraw/zinc/03/91/91/742039191.db2.gz VSQXPOFRXVYRQW-GJZGRUSLSA-N 2 2 331.420 0.414 20 30 ECEDLP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001027091557 742525664 /nfs/dbraw/zinc/52/56/64/742525664.db2.gz PCKPPXKMUFEWAI-HIFRSBDPSA-N 2 2 331.420 0.177 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3nc(C)no3)C2)CC1 ZINC001029002187 743154377 /nfs/dbraw/zinc/15/43/77/743154377.db2.gz NDWOKMYNZNBPGM-HNNXBMFYSA-N 2 2 345.447 0.661 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3nc(C)no3)C2)CC1 ZINC001029002187 743154382 /nfs/dbraw/zinc/15/43/82/743154382.db2.gz NDWOKMYNZNBPGM-HNNXBMFYSA-N 2 2 345.447 0.661 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000999391653 744672163 /nfs/dbraw/zinc/67/21/63/744672163.db2.gz MWXCFLAIOHCUDA-KGLIPLIRSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000999391653 744672164 /nfs/dbraw/zinc/67/21/64/744672164.db2.gz MWXCFLAIOHCUDA-KGLIPLIRSA-N 2 2 333.461 0.716 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001098715397 747126534 /nfs/dbraw/zinc/12/65/34/747126534.db2.gz FTJVHGMCTSHWEY-HZPDHXFCSA-N 2 2 332.452 0.361 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cnon2)CC1 ZINC000985474904 748210672 /nfs/dbraw/zinc/21/06/72/748210672.db2.gz HRNCXPPHGQMRRD-INIZCTEOSA-N 2 2 331.420 0.590 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2cnon2)CC1 ZINC000985474904 748210676 /nfs/dbraw/zinc/21/06/76/748210676.db2.gz HRNCXPPHGQMRRD-INIZCTEOSA-N 2 2 331.420 0.590 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2cnon2)CC1 ZINC000985474904 748210678 /nfs/dbraw/zinc/21/06/78/748210678.db2.gz HRNCXPPHGQMRRD-INIZCTEOSA-N 2 2 331.420 0.590 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2cnon2)CC1 ZINC000985474904 748210682 /nfs/dbraw/zinc/21/06/82/748210682.db2.gz HRNCXPPHGQMRRD-INIZCTEOSA-N 2 2 331.420 0.590 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC000980539428 749709622 /nfs/dbraw/zinc/70/96/22/749709622.db2.gz QWQXTLBLMMRSMV-CABCVRRESA-N 2 2 331.420 0.203 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC000980539428 749709626 /nfs/dbraw/zinc/70/96/26/749709626.db2.gz QWQXTLBLMMRSMV-CABCVRRESA-N 2 2 331.420 0.203 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3csnn3)[C@@H]2C)CC1 ZINC000987576138 750991912 /nfs/dbraw/zinc/99/19/12/750991912.db2.gz NHGWTGIWWNNHEG-XJKSGUPXSA-N 2 2 347.488 0.962 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464766 752753635 /nfs/dbraw/zinc/75/36/35/752753635.db2.gz FEPHXWUWEMNITI-CJNGLKHVSA-N 2 2 348.472 0.888 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464766 752753642 /nfs/dbraw/zinc/75/36/42/752753642.db2.gz FEPHXWUWEMNITI-CJNGLKHVSA-N 2 2 348.472 0.888 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464766 752753647 /nfs/dbraw/zinc/75/36/47/752753647.db2.gz FEPHXWUWEMNITI-CJNGLKHVSA-N 2 2 348.472 0.888 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464766 752753651 /nfs/dbraw/zinc/75/36/51/752753651.db2.gz FEPHXWUWEMNITI-CJNGLKHVSA-N 2 2 348.472 0.888 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nnc(C)o3)C[C@@H]2C)CC1 ZINC000989828638 754497436 /nfs/dbraw/zinc/49/74/36/754497436.db2.gz GXSPBNLLDAEYIG-XJKSGUPXSA-N 2 2 345.447 0.802 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001009526560 754978889 /nfs/dbraw/zinc/97/88/89/754978889.db2.gz ZXGIKYLDSPNIPV-HOTGVXAUSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001009526560 754978891 /nfs/dbraw/zinc/97/88/91/754978891.db2.gz ZXGIKYLDSPNIPV-HOTGVXAUSA-N 2 2 345.447 0.559 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001098655382 755628090 /nfs/dbraw/zinc/62/80/90/755628090.db2.gz JYCLGSRUORQNBI-AWEZNQCLSA-N 2 2 330.432 0.976 20 30 ECEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C(C)C)[NH+](C)C)nn2)C1 ZINC001107180419 757300181 /nfs/dbraw/zinc/30/01/81/757300181.db2.gz QVQCOXAEAJACSA-INIZCTEOSA-N 2 2 332.452 0.361 20 30 ECEDLP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@H]2C1 ZINC001048961003 757524387 /nfs/dbraw/zinc/52/43/87/757524387.db2.gz SMDXHMFWVVRYDH-KSZLIROESA-N 2 2 331.460 0.511 20 30 ECEDLP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@H]2C1 ZINC001048961003 757524393 /nfs/dbraw/zinc/52/43/93/757524393.db2.gz SMDXHMFWVVRYDH-KSZLIROESA-N 2 2 331.460 0.511 20 30 ECEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@H]2C1 ZINC001048961003 757524404 /nfs/dbraw/zinc/52/44/04/757524404.db2.gz SMDXHMFWVVRYDH-KSZLIROESA-N 2 2 331.460 0.511 20 30 ECEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@H]2C1 ZINC001048961003 757524411 /nfs/dbraw/zinc/52/44/11/757524411.db2.gz SMDXHMFWVVRYDH-KSZLIROESA-N 2 2 331.460 0.511 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001107076503 759791473 /nfs/dbraw/zinc/79/14/73/759791473.db2.gz YWQNRIJWHHMTMU-HZPDHXFCSA-N 2 2 345.447 0.097 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001050232512 760005758 /nfs/dbraw/zinc/00/57/58/760005758.db2.gz CLWDTZXYDGZUAX-GDBMZVCRSA-N 2 2 345.447 0.567 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001030032203 761268017 /nfs/dbraw/zinc/26/80/17/761268017.db2.gz FLCCMWMHGCYTPQ-ARFHVFGLSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001030032203 761268022 /nfs/dbraw/zinc/26/80/22/761268022.db2.gz FLCCMWMHGCYTPQ-ARFHVFGLSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001030032203 761268028 /nfs/dbraw/zinc/26/80/28/761268028.db2.gz FLCCMWMHGCYTPQ-ARFHVFGLSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001030032203 761268034 /nfs/dbraw/zinc/26/80/34/761268034.db2.gz FLCCMWMHGCYTPQ-ARFHVFGLSA-N 2 2 334.464 0.448 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001030033321 761276256 /nfs/dbraw/zinc/27/62/56/761276256.db2.gz XEZBAULDNUGEOP-ULQDDVLXSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@H]([NH+]2CCC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1=O ZINC001030033321 761276260 /nfs/dbraw/zinc/27/62/60/761276260.db2.gz XEZBAULDNUGEOP-ULQDDVLXSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)C1=O ZINC001030033321 761276262 /nfs/dbraw/zinc/27/62/62/761276262.db2.gz XEZBAULDNUGEOP-ULQDDVLXSA-N 2 2 348.491 0.838 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)C1=O ZINC001030033321 761276265 /nfs/dbraw/zinc/27/62/65/761276265.db2.gz XEZBAULDNUGEOP-ULQDDVLXSA-N 2 2 348.491 0.838 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051030402 761367009 /nfs/dbraw/zinc/36/70/09/761367009.db2.gz YZUGOKARPUUNAE-ISXWCOSWSA-N 2 2 349.475 0.633 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051030402 761367018 /nfs/dbraw/zinc/36/70/18/761367018.db2.gz YZUGOKARPUUNAE-ISXWCOSWSA-N 2 2 349.475 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051030402 761367028 /nfs/dbraw/zinc/36/70/28/761367028.db2.gz YZUGOKARPUUNAE-ISXWCOSWSA-N 2 2 349.475 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051030402 761367038 /nfs/dbraw/zinc/36/70/38/761367038.db2.gz YZUGOKARPUUNAE-ISXWCOSWSA-N 2 2 349.475 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001051082289 761456577 /nfs/dbraw/zinc/45/65/77/761456577.db2.gz XZKXEEAQXMOTJH-IRXDYDNUSA-N 2 2 339.480 0.879 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001051082289 761456580 /nfs/dbraw/zinc/45/65/80/761456580.db2.gz XZKXEEAQXMOTJH-IRXDYDNUSA-N 2 2 339.480 0.879 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001051082289 761456583 /nfs/dbraw/zinc/45/65/83/761456583.db2.gz XZKXEEAQXMOTJH-IRXDYDNUSA-N 2 2 339.480 0.879 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001051082289 761456585 /nfs/dbraw/zinc/45/65/85/761456585.db2.gz XZKXEEAQXMOTJH-IRXDYDNUSA-N 2 2 339.480 0.879 20 30 ECEDLP N#CCNC(=O)C[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001168476088 768060477 /nfs/dbraw/zinc/06/04/77/768060477.db2.gz RBLNIVQGBSDERV-UHFFFAOYSA-N 2 2 346.435 0.179 20 30 ECEDLP N#Cc1cccc(C[NH2+]C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)c1 ZINC001051885203 763216105 /nfs/dbraw/zinc/21/61/05/763216105.db2.gz XTVAYPXFRNAOQF-INIZCTEOSA-N 2 2 339.399 0.841 20 30 ECEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001014925067 763465938 /nfs/dbraw/zinc/46/59/38/763465938.db2.gz OBAYJDRBQSFJFE-ZTFGCOKTSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001014925067 763465943 /nfs/dbraw/zinc/46/59/43/763465943.db2.gz OBAYJDRBQSFJFE-ZTFGCOKTSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001014925067 763465950 /nfs/dbraw/zinc/46/59/50/763465950.db2.gz OBAYJDRBQSFJFE-ZTFGCOKTSA-N 2 2 342.443 0.968 20 30 ECEDLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001014925067 763465957 /nfs/dbraw/zinc/46/59/57/763465957.db2.gz OBAYJDRBQSFJFE-ZTFGCOKTSA-N 2 2 342.443 0.968 20 30 ECEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)nn1 ZINC001098758148 763754811 /nfs/dbraw/zinc/75/48/11/763754811.db2.gz WJGDOOPZDZFYEH-QGZVFWFLSA-N 2 2 344.463 0.506 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052081945 763800238 /nfs/dbraw/zinc/80/02/38/763800238.db2.gz GTFHNUFUSXCOLK-KRWDZBQOSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001052081945 763800250 /nfs/dbraw/zinc/80/02/50/763800250.db2.gz GTFHNUFUSXCOLK-KRWDZBQOSA-N 2 2 332.492 0.570 20 30 ECEDLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052093150 763836753 /nfs/dbraw/zinc/83/67/53/763836753.db2.gz KEBJQKUOFFGYQQ-MSOLQXFVSA-N 2 2 347.507 0.991 20 30 ECEDLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052093150 763836763 /nfs/dbraw/zinc/83/67/63/763836763.db2.gz KEBJQKUOFFGYQQ-MSOLQXFVSA-N 2 2 347.507 0.991 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107972 763888613 /nfs/dbraw/zinc/88/86/13/763888613.db2.gz JFNDZXBRYMEJSN-ZWKOTPCHSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107972 763888620 /nfs/dbraw/zinc/88/86/20/763888620.db2.gz JFNDZXBRYMEJSN-ZWKOTPCHSA-N 2 2 332.492 0.570 20 30 ECEDLP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001052118224 763932063 /nfs/dbraw/zinc/93/20/63/763932063.db2.gz OSVULTKEBXVEHC-KRWDZBQOSA-N 2 2 331.464 0.986 20 30 ECEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001047436185 764338622 /nfs/dbraw/zinc/33/86/22/764338622.db2.gz UKUUMZXPSRLGKH-COXVUDFISA-N 2 2 332.448 0.903 20 30 ECEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001047436185 764338628 /nfs/dbraw/zinc/33/86/28/764338628.db2.gz UKUUMZXPSRLGKH-COXVUDFISA-N 2 2 332.448 0.903 20 30 ECEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001047436185 764338635 /nfs/dbraw/zinc/33/86/35/764338635.db2.gz UKUUMZXPSRLGKH-COXVUDFISA-N 2 2 332.448 0.903 20 30 ECEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001047436185 764338642 /nfs/dbraw/zinc/33/86/42/764338642.db2.gz UKUUMZXPSRLGKH-COXVUDFISA-N 2 2 332.448 0.903 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)C1=O ZINC001088981935 764690579 /nfs/dbraw/zinc/69/05/79/764690579.db2.gz VALGFUVVQPGHRF-VNQPRFMTSA-N 2 2 345.447 0.329 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)[C@H]2C)C1=O ZINC001088981935 764690588 /nfs/dbraw/zinc/69/05/88/764690588.db2.gz VALGFUVVQPGHRF-VNQPRFMTSA-N 2 2 345.447 0.329 20 30 ECEDLP O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCO)CC1 ZINC001052990130 765468047 /nfs/dbraw/zinc/46/80/47/765468047.db2.gz MCOANZOBELGMIL-KDURUIRLSA-N 2 2 345.487 0.922 20 30 ECEDLP O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCO)CC1 ZINC001052990130 765468049 /nfs/dbraw/zinc/46/80/49/765468049.db2.gz MCOANZOBELGMIL-KDURUIRLSA-N 2 2 345.487 0.922 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)CO2 ZINC001053881476 767150373 /nfs/dbraw/zinc/15/03/73/767150373.db2.gz JWLFTGZSKUPNGW-SJORKVTESA-N 2 2 331.460 0.844 20 30 ECEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001031765674 767170460 /nfs/dbraw/zinc/17/04/60/767170460.db2.gz LDSYCPDBYMLSJO-RDTXWAMCSA-N 2 2 342.443 0.825 20 30 ECEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001031765674 767170462 /nfs/dbraw/zinc/17/04/62/767170462.db2.gz LDSYCPDBYMLSJO-RDTXWAMCSA-N 2 2 342.443 0.825 20 30 ECEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053904400 767312512 /nfs/dbraw/zinc/31/25/12/767312512.db2.gz NBDCWHPXBRKTBU-JKSUJKDBSA-N 2 2 337.464 0.631 20 30 ECEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053904400 767312514 /nfs/dbraw/zinc/31/25/14/767312514.db2.gz NBDCWHPXBRKTBU-JKSUJKDBSA-N 2 2 337.464 0.631 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CO2 ZINC001053905197 767316413 /nfs/dbraw/zinc/31/64/13/767316413.db2.gz YVZZHZDOPHUOIJ-CVEARBPZSA-N 2 2 335.448 0.078 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CO2 ZINC001053905197 767316416 /nfs/dbraw/zinc/31/64/16/767316416.db2.gz YVZZHZDOPHUOIJ-CVEARBPZSA-N 2 2 335.448 0.078 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)CO2 ZINC001054014679 767601898 /nfs/dbraw/zinc/60/18/98/767601898.db2.gz PRRRMGZQQWWMQI-JKSUJKDBSA-N 2 2 337.464 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)CO2 ZINC001054014679 767601902 /nfs/dbraw/zinc/60/19/02/767601902.db2.gz PRRRMGZQQWWMQI-JKSUJKDBSA-N 2 2 337.464 0.633 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001106710414 768697654 /nfs/dbraw/zinc/69/76/54/768697654.db2.gz JDVHVFKMGXTGNK-OWCLPIDISA-N 2 2 345.447 0.268 20 30 ECEDLP C=C(C)CCC(=O)NC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001055596179 769215186 /nfs/dbraw/zinc/21/51/86/769215186.db2.gz WFLWYTQDGACQIG-UHFFFAOYSA-N 2 2 347.463 0.936 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001018985797 770483129 /nfs/dbraw/zinc/48/31/29/770483129.db2.gz GFJWRLLVKVRUKS-SNPRPXQTSA-N 2 2 330.436 0.462 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001018985797 770483137 /nfs/dbraw/zinc/48/31/37/770483137.db2.gz GFJWRLLVKVRUKS-SNPRPXQTSA-N 2 2 330.436 0.462 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001018985774 770484415 /nfs/dbraw/zinc/48/44/15/770484415.db2.gz FBSSRLFABRASBX-GJZGRUSLSA-N 2 2 343.431 0.735 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(C3CC3)no2)C1 ZINC001018985774 770484421 /nfs/dbraw/zinc/48/44/21/770484421.db2.gz FBSSRLFABRASBX-GJZGRUSLSA-N 2 2 343.431 0.735 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCc3cnn(C)c3)C2)CC1 ZINC001031435332 771070347 /nfs/dbraw/zinc/07/03/47/771070347.db2.gz XWWDMIUSTURBPO-UHFFFAOYSA-N 2 2 329.448 0.108 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nonc3C)C2)CC1 ZINC001019813423 771828160 /nfs/dbraw/zinc/82/81/60/771828160.db2.gz DWASYFKHMIPBRC-HNNXBMFYSA-N 2 2 331.420 0.414 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csnc2OC)C1 ZINC001020250882 772351627 /nfs/dbraw/zinc/35/16/27/772351627.db2.gz VRPXCPAVBHITJJ-KKUMJFAQSA-N 2 2 348.472 0.986 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csnc2OC)C1 ZINC001020250882 772351635 /nfs/dbraw/zinc/35/16/35/772351635.db2.gz VRPXCPAVBHITJJ-KKUMJFAQSA-N 2 2 348.472 0.986 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001020251362 772352747 /nfs/dbraw/zinc/35/27/47/772352747.db2.gz IJUYLWDDYYTXHK-NGFQHRJXSA-N 2 2 331.420 0.773 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nc(C)no2)C1 ZINC001020251362 772352752 /nfs/dbraw/zinc/35/27/52/772352752.db2.gz IJUYLWDDYYTXHK-NGFQHRJXSA-N 2 2 331.420 0.773 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H]1C ZINC001020274346 772386890 /nfs/dbraw/zinc/38/68/90/772386890.db2.gz VTEXSCBVXWHIDM-ULQDDVLXSA-N 2 2 346.475 0.285 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001070220713 783686754 /nfs/dbraw/zinc/68/67/54/783686754.db2.gz OCLWXTDWBJACSR-IMJJTQAJSA-N 2 2 341.419 0.265 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070285606 783791642 /nfs/dbraw/zinc/79/16/42/783791642.db2.gz BYNHJZVXGSKFRW-ZNMIVQPWSA-N 2 2 329.408 0.653 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001070964377 784247821 /nfs/dbraw/zinc/24/78/21/784247821.db2.gz GMSQTIAAYKMTTL-HZPDHXFCSA-N 2 2 336.480 0.553 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964377 784247828 /nfs/dbraw/zinc/24/78/28/784247828.db2.gz GMSQTIAAYKMTTL-HZPDHXFCSA-N 2 2 336.480 0.553 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964377 784247835 /nfs/dbraw/zinc/24/78/35/784247835.db2.gz GMSQTIAAYKMTTL-HZPDHXFCSA-N 2 2 336.480 0.553 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964377 784247843 /nfs/dbraw/zinc/24/78/43/784247843.db2.gz GMSQTIAAYKMTTL-HZPDHXFCSA-N 2 2 336.480 0.553 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001070971526 784274694 /nfs/dbraw/zinc/27/46/94/784274694.db2.gz DJHNLTWNLAPTSE-INIZCTEOSA-N 2 2 336.480 0.697 20 30 ECEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070971526 784274701 /nfs/dbraw/zinc/27/47/01/784274701.db2.gz DJHNLTWNLAPTSE-INIZCTEOSA-N 2 2 336.480 0.697 20 30 ECEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001070971526 784274705 /nfs/dbraw/zinc/27/47/05/784274705.db2.gz DJHNLTWNLAPTSE-INIZCTEOSA-N 2 2 336.480 0.697 20 30 ECEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001070971526 784274713 /nfs/dbraw/zinc/27/47/13/784274713.db2.gz DJHNLTWNLAPTSE-INIZCTEOSA-N 2 2 336.480 0.697 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001070996402 784356783 /nfs/dbraw/zinc/35/67/83/784356783.db2.gz RNSBARLBDLRPSZ-QGZVFWFLSA-N 2 2 338.496 0.799 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001070996402 784356789 /nfs/dbraw/zinc/35/67/89/784356789.db2.gz RNSBARLBDLRPSZ-QGZVFWFLSA-N 2 2 338.496 0.799 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001070999998 784369244 /nfs/dbraw/zinc/36/92/44/784369244.db2.gz JKAIIIQNAKVCNN-HOTGVXAUSA-N 2 2 336.480 0.411 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001070999998 784369251 /nfs/dbraw/zinc/36/92/51/784369251.db2.gz JKAIIIQNAKVCNN-HOTGVXAUSA-N 2 2 336.480 0.411 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001070999998 784369254 /nfs/dbraw/zinc/36/92/54/784369254.db2.gz JKAIIIQNAKVCNN-HOTGVXAUSA-N 2 2 336.480 0.411 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001070999998 784369265 /nfs/dbraw/zinc/36/92/65/784369265.db2.gz JKAIIIQNAKVCNN-HOTGVXAUSA-N 2 2 336.480 0.411 20 30 ECEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1NCC#N ZINC001070675651 784535755 /nfs/dbraw/zinc/53/57/55/784535755.db2.gz NVJXATAHXJAVHD-HUUCEWRRSA-N 2 2 344.463 0.702 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001071100798 784539492 /nfs/dbraw/zinc/53/94/92/784539492.db2.gz ASFDISMMIBZTGY-QAPCUYQASA-N 2 2 330.432 0.880 20 30 ECEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001073670379 786925318 /nfs/dbraw/zinc/92/53/18/786925318.db2.gz HHQGGRDBPXJREI-JKSUJKDBSA-N 2 2 330.432 0.676 20 30 ECEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001073670379 786925323 /nfs/dbraw/zinc/92/53/23/786925323.db2.gz HHQGGRDBPXJREI-JKSUJKDBSA-N 2 2 330.432 0.676 20 30 ECEDLP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267544134 837732404 /nfs/dbraw/zinc/73/24/04/837732404.db2.gz JEBQDGJTRAWSQF-IAGOWNOFSA-N 2 2 344.459 0.924 20 30 ECEDLP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267544134 837732411 /nfs/dbraw/zinc/73/24/11/837732411.db2.gz JEBQDGJTRAWSQF-IAGOWNOFSA-N 2 2 344.459 0.924 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cc(OC)no1)C1CC1 ZINC001266411915 835817853 /nfs/dbraw/zinc/81/78/53/835817853.db2.gz HVGAUMFHUZBYDW-CVEARBPZSA-N 2 2 346.431 0.765 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1cc(OC)no1)C1CC1 ZINC001266411915 835817862 /nfs/dbraw/zinc/81/78/62/835817862.db2.gz HVGAUMFHUZBYDW-CVEARBPZSA-N 2 2 346.431 0.765 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001266728732 836206599 /nfs/dbraw/zinc/20/65/99/836206599.db2.gz JLQCKCWDGUQQSK-KRWDZBQOSA-N 2 2 344.463 0.334 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001266728732 836206604 /nfs/dbraw/zinc/20/66/04/836206604.db2.gz JLQCKCWDGUQQSK-KRWDZBQOSA-N 2 2 344.463 0.334 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267107516 836789514 /nfs/dbraw/zinc/78/95/14/836789514.db2.gz DYGVFBODKWBLMS-HZPDHXFCSA-N 2 2 345.447 0.252 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267107516 836789517 /nfs/dbraw/zinc/78/95/17/836789517.db2.gz DYGVFBODKWBLMS-HZPDHXFCSA-N 2 2 345.447 0.252 20 30 ECEDLP C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267249056 837066848 /nfs/dbraw/zinc/06/68/48/837066848.db2.gz NAZSLFIAKRKGQO-OAHLLOKOSA-N 2 2 347.463 0.494 20 30 ECEDLP C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267249056 837066855 /nfs/dbraw/zinc/06/68/55/837066855.db2.gz NAZSLFIAKRKGQO-OAHLLOKOSA-N 2 2 347.463 0.494 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267761955 838490474 /nfs/dbraw/zinc/49/04/74/838490474.db2.gz MGPGTGRJGRZDRD-HZPDHXFCSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267761955 838490481 /nfs/dbraw/zinc/49/04/81/838490481.db2.gz MGPGTGRJGRZDRD-HZPDHXFCSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267761955 838490490 /nfs/dbraw/zinc/49/04/90/838490490.db2.gz MGPGTGRJGRZDRD-HZPDHXFCSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267761955 838490498 /nfs/dbraw/zinc/49/04/98/838490498.db2.gz MGPGTGRJGRZDRD-HZPDHXFCSA-N 2 2 336.480 0.694 20 30 ECEDLP C[C@H]1CCCC[C@]1(C[NH2+]CC(=O)NCC#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001267874687 838670642 /nfs/dbraw/zinc/67/06/42/838670642.db2.gz YBHJOLPGHSZGRH-SUMWQHHRSA-N 2 2 346.435 0.247 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001267971414 838894078 /nfs/dbraw/zinc/89/40/78/838894078.db2.gz VBCVYROLTNOXCG-ZIAGYGMSSA-N 2 2 333.436 0.532 20 30 ECEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001267987368 838925839 /nfs/dbraw/zinc/92/58/39/838925839.db2.gz UWFLUEDFQUCSKV-PBHICJAKSA-N 2 2 347.463 0.782 20 30 ECEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001267987368 838925848 /nfs/dbraw/zinc/92/58/48/838925848.db2.gz UWFLUEDFQUCSKV-PBHICJAKSA-N 2 2 347.463 0.782 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267989732 838934473 /nfs/dbraw/zinc/93/44/73/838934473.db2.gz FNDXGXYEYNZTDK-QWHCGFSZSA-N 2 2 341.415 0.656 20 30 ECEDLP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001267996331 838942533 /nfs/dbraw/zinc/94/25/33/838942533.db2.gz WOPKJXWZKPPFAD-ZACQAIPSSA-N 2 2 339.480 0.784 20 30 ECEDLP COCC[NH+]1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000329920493 285009151 /nfs/dbraw/zinc/00/91/51/285009151.db2.gz DZMHDBOMDDFFAJ-CABCVRRESA-N 2 2 326.441 0.026 20 30 ECEDLP COCC[NH+]1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000329920493 285009153 /nfs/dbraw/zinc/00/91/53/285009153.db2.gz DZMHDBOMDDFFAJ-CABCVRRESA-N 2 2 326.441 0.026 20 30 ECEDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)C1=O ZINC000359705613 270007154 /nfs/dbraw/zinc/00/71/54/270007154.db2.gz JJFQQJSLXMENEY-OAHLLOKOSA-N 2 2 326.404 0.911 20 30 ECEDLP N#Cc1ccc2ncc(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)n2c1 ZINC000344206580 268225265 /nfs/dbraw/zinc/22/52/65/268225265.db2.gz GCUBQFXIKFMWSP-HNNXBMFYSA-N 2 2 326.404 0.635 20 30 ECEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080611335 436325126 /nfs/dbraw/zinc/32/51/26/436325126.db2.gz LTPSSEZQDSQRLI-SJORKVTESA-N 2 2 334.464 0.935 20 30 ECEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080611335 436325130 /nfs/dbraw/zinc/32/51/30/436325130.db2.gz LTPSSEZQDSQRLI-SJORKVTESA-N 2 2 334.464 0.935 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC[C@](C)(O)c1ccsc1 ZINC000262452017 436933994 /nfs/dbraw/zinc/93/39/94/436933994.db2.gz UUDAUDUOQMMBNN-HIFRSBDPSA-N 2 2 326.466 0.451 20 30 ECEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC[C@](C)(O)c1ccsc1 ZINC000262452017 436933998 /nfs/dbraw/zinc/93/39/98/436933998.db2.gz UUDAUDUOQMMBNN-HIFRSBDPSA-N 2 2 326.466 0.451 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000296727716 436998493 /nfs/dbraw/zinc/99/84/93/436998493.db2.gz COHDMUKLVXKEDV-UHFFFAOYSA-N 2 2 329.448 0.864 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000296727716 436998496 /nfs/dbraw/zinc/99/84/96/436998496.db2.gz COHDMUKLVXKEDV-UHFFFAOYSA-N 2 2 329.448 0.864 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000286451380 437090457 /nfs/dbraw/zinc/09/04/57/437090457.db2.gz HOGBKIDPCRIMRV-AWEZNQCLSA-N 2 2 345.447 0.882 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000265336950 437108439 /nfs/dbraw/zinc/10/84/39/437108439.db2.gz HTQJRIVLUZKDFS-UHFFFAOYSA-N 2 2 327.432 0.924 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000265336950 437108446 /nfs/dbraw/zinc/10/84/46/437108446.db2.gz HTQJRIVLUZKDFS-UHFFFAOYSA-N 2 2 327.432 0.924 20 30 ECEDLP C#CCNc1nc(NC[C@@H](C)[NH+](C)C)nc(NC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000288328654 437310042 /nfs/dbraw/zinc/31/00/42/437310042.db2.gz IFEUCYNEZDBOOC-CHWSQXEVSA-N 3 2 334.472 0.641 20 30 ECEDLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329730533 437406189 /nfs/dbraw/zinc/40/61/89/437406189.db2.gz POZHITQHCFVXFN-RBSFLKMASA-N 2 2 326.441 0.026 20 30 ECEDLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329730533 437406192 /nfs/dbraw/zinc/40/61/92/437406192.db2.gz POZHITQHCFVXFN-RBSFLKMASA-N 2 2 326.441 0.026 20 30 ECEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329610852 437390728 /nfs/dbraw/zinc/39/07/28/437390728.db2.gz JLZJENZBCOVAFO-KGLIPLIRSA-N 2 2 333.436 0.978 20 30 ECEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCc3nn(C)c(=O)cc3C2)CC1 ZINC000329622312 437393731 /nfs/dbraw/zinc/39/37/31/437393731.db2.gz NIUMOQHVNSCHSM-UHFFFAOYSA-N 2 2 347.463 0.968 20 30 ECEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCc3nn(C)c(=O)cc3C2)CC1 ZINC000329622312 437393735 /nfs/dbraw/zinc/39/37/35/437393735.db2.gz NIUMOQHVNSCHSM-UHFFFAOYSA-N 2 2 347.463 0.968 20 30 ECEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cnn(C)c3)CC2)CC1 ZINC000329981185 437441105 /nfs/dbraw/zinc/44/11/05/437441105.db2.gz MTXGVSKYJNDSIW-UHFFFAOYSA-N 2 2 334.468 0.983 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330522141 437538335 /nfs/dbraw/zinc/53/83/35/437538335.db2.gz JRMTXFSULAQZCQ-IKGGRYGDSA-N 2 2 335.496 0.705 20 30 ECEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000330522141 437538341 /nfs/dbraw/zinc/53/83/41/437538341.db2.gz JRMTXFSULAQZCQ-IKGGRYGDSA-N 2 2 335.496 0.705 20 30 ECEDLP C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000330625600 437571512 /nfs/dbraw/zinc/57/15/12/437571512.db2.gz HSDDCGGHMUCMCO-SJORKVTESA-N 2 2 335.496 0.706 20 30 ECEDLP C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000330625600 437571523 /nfs/dbraw/zinc/57/15/23/437571523.db2.gz HSDDCGGHMUCMCO-SJORKVTESA-N 2 2 335.496 0.706 20 30 ECEDLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000330627208 437572512 /nfs/dbraw/zinc/57/25/12/437572512.db2.gz WXWCXSHSUFYHIA-LBPRGKRZSA-N 2 2 335.408 0.651 20 30 ECEDLP C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000330919568 437649710 /nfs/dbraw/zinc/64/97/10/437649710.db2.gz YUYSWCGBPGWEHW-OAHLLOKOSA-N 2 2 328.457 0.010 20 30 ECEDLP C[N@@H+](CCCO)C1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000330919568 437649717 /nfs/dbraw/zinc/64/97/17/437649717.db2.gz YUYSWCGBPGWEHW-OAHLLOKOSA-N 2 2 328.457 0.010 20 30 ECEDLP C[NH+](CCCO)C1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000330919568 437649721 /nfs/dbraw/zinc/64/97/21/437649721.db2.gz YUYSWCGBPGWEHW-OAHLLOKOSA-N 2 2 328.457 0.010 20 30 ECEDLP C[NH+](CCCO)C1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000330919568 437649726 /nfs/dbraw/zinc/64/97/26/437649726.db2.gz YUYSWCGBPGWEHW-OAHLLOKOSA-N 2 2 328.457 0.010 20 30 ECEDLP OCC[C@@H]1CSCC[NH+]1CC#CC[N@H+]1CCSC[C@@H]1CCO ZINC000341886590 437917705 /nfs/dbraw/zinc/91/77/05/437917705.db2.gz GQCYATHWRCXGMP-IYBDPMFKSA-N 2 2 344.546 0.589 20 30 ECEDLP OCC[C@@H]1CSCC[NH+]1CC#CC[N@@H+]1CCSC[C@@H]1CCO ZINC000341886590 437917714 /nfs/dbraw/zinc/91/77/14/437917714.db2.gz GQCYATHWRCXGMP-IYBDPMFKSA-N 2 2 344.546 0.589 20 30 ECEDLP OCC[C@@H]1CSCC[N@H+]1CC#CC[NH+]1CCSC[C@@H]1CCO ZINC000341886590 437917721 /nfs/dbraw/zinc/91/77/21/437917721.db2.gz GQCYATHWRCXGMP-IYBDPMFKSA-N 2 2 344.546 0.589 20 30 ECEDLP OCC[C@@H]1CSCC[N@@H+]1CC#CC[NH+]1CCSC[C@@H]1CCO ZINC000341886590 437917726 /nfs/dbraw/zinc/91/77/26/437917726.db2.gz GQCYATHWRCXGMP-IYBDPMFKSA-N 2 2 344.546 0.589 20 30 ECEDLP CN(CC[N@H+](C)CC(=O)N(CCC#N)CCC#N)C1CC[NH+](C)CC1 ZINC000342512772 438025071 /nfs/dbraw/zinc/02/50/71/438025071.db2.gz HDALMSONUCIFIX-UHFFFAOYSA-N 2 2 348.495 0.600 20 30 ECEDLP CN(CC[N@@H+](C)CC(=O)N(CCC#N)CCC#N)C1CC[NH+](C)CC1 ZINC000342512772 438025078 /nfs/dbraw/zinc/02/50/78/438025078.db2.gz HDALMSONUCIFIX-UHFFFAOYSA-N 2 2 348.495 0.600 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N(CCC#N)CCC#N ZINC000342512772 438025086 /nfs/dbraw/zinc/02/50/86/438025086.db2.gz HDALMSONUCIFIX-UHFFFAOYSA-N 2 2 348.495 0.600 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N(CCC#N)CCC#N ZINC000342512772 438025094 /nfs/dbraw/zinc/02/50/94/438025094.db2.gz HDALMSONUCIFIX-UHFFFAOYSA-N 2 2 348.495 0.600 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000366485933 438084780 /nfs/dbraw/zinc/08/47/80/438084780.db2.gz XAYTTWYTFRCEJA-MJGOQNOKSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000366485933 438084783 /nfs/dbraw/zinc/08/47/83/438084783.db2.gz XAYTTWYTFRCEJA-MJGOQNOKSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366485933 438084786 /nfs/dbraw/zinc/08/47/86/438084786.db2.gz XAYTTWYTFRCEJA-MJGOQNOKSA-N 2 2 347.507 0.706 20 30 ECEDLP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CC1 ZINC000366485933 438084791 /nfs/dbraw/zinc/08/47/91/438084791.db2.gz XAYTTWYTFRCEJA-MJGOQNOKSA-N 2 2 347.507 0.706 20 30 ECEDLP C[NH+]1CCN(C[C@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000367117181 438166402 /nfs/dbraw/zinc/16/64/02/438166402.db2.gz LZXAYMVJUVSYKV-APWZRJJASA-N 2 2 347.507 0.754 20 30 ECEDLP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000367117181 438166407 /nfs/dbraw/zinc/16/64/07/438166407.db2.gz LZXAYMVJUVSYKV-APWZRJJASA-N 2 2 347.507 0.754 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000377640211 438317052 /nfs/dbraw/zinc/31/70/52/438317052.db2.gz MICBGXRGDJCHNP-IBGZPJMESA-N 3 2 346.519 0.959 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000377640211 438317057 /nfs/dbraw/zinc/31/70/57/438317057.db2.gz MICBGXRGDJCHNP-IBGZPJMESA-N 3 2 346.519 0.959 20 30 ECEDLP C[NH+](C)CC(=O)Nc1ccc(NC[C@H](O)C[N@H+](C)CCC#N)cc1 ZINC000566125621 439009634 /nfs/dbraw/zinc/00/96/34/439009634.db2.gz PDQSSMFVEHVWCB-INIZCTEOSA-N 2 2 333.436 0.805 20 30 ECEDLP C[NH+](C)CC(=O)Nc1ccc(NC[C@H](O)C[N@@H+](C)CCC#N)cc1 ZINC000566125621 439009641 /nfs/dbraw/zinc/00/96/41/439009641.db2.gz PDQSSMFVEHVWCB-INIZCTEOSA-N 2 2 333.436 0.805 20 30 ECEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149478 439167838 /nfs/dbraw/zinc/16/78/38/439167838.db2.gz PQTUHFIWEYAPAK-QAPCUYQASA-N 2 2 343.431 0.469 20 30 ECEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149478 439167840 /nfs/dbraw/zinc/16/78/40/439167840.db2.gz PQTUHFIWEYAPAK-QAPCUYQASA-N 2 2 343.431 0.469 20 30 ECEDLP N#Cc1cnn2c1NC[C@H](C[NH+]1CCN(Cc3[nH]cc[nH+]3)CC1)C2 ZINC000592501246 439240470 /nfs/dbraw/zinc/24/04/70/439240470.db2.gz MROQAQMOACAVQH-CYBMUJFWSA-N 2 2 326.408 0.337 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCOC3(CCOCC3)CC2)CC1 ZINC000490998010 439322129 /nfs/dbraw/zinc/32/21/29/439322129.db2.gz WJBQMACQFHSXIB-UHFFFAOYSA-N 2 2 335.448 0.035 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCOC3(CCOCC3)CC2)CC1 ZINC000490998010 439322132 /nfs/dbraw/zinc/32/21/32/439322132.db2.gz WJBQMACQFHSXIB-UHFFFAOYSA-N 2 2 335.448 0.035 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)CC1 ZINC000491298218 439364281 /nfs/dbraw/zinc/36/42/81/439364281.db2.gz UWJMAVXSHOYXOV-QGZVFWFLSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)CC1 ZINC000491298218 439364286 /nfs/dbraw/zinc/36/42/86/439364286.db2.gz UWJMAVXSHOYXOV-QGZVFWFLSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)CC1 ZINC000491384882 439373888 /nfs/dbraw/zinc/37/38/88/439373888.db2.gz PXWYCIIIGWMXEW-QGZVFWFLSA-N 2 2 346.475 0.000 20 30 ECEDLP C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000491617357 439413075 /nfs/dbraw/zinc/41/30/75/439413075.db2.gz BCFDFNWUNYUXLB-OAHLLOKOSA-N 2 2 334.464 0.000 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000491652177 439419011 /nfs/dbraw/zinc/41/90/11/439419011.db2.gz AIMAFOQBEMRIQE-KRWDZBQOSA-N 2 2 335.496 0.363 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC000491652177 439419019 /nfs/dbraw/zinc/41/90/19/439419019.db2.gz AIMAFOQBEMRIQE-KRWDZBQOSA-N 2 2 335.496 0.363 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2cnn(C)c2)CC(C)C)CC1 ZINC000491805316 439455642 /nfs/dbraw/zinc/45/56/42/439455642.db2.gz NWPDFKVSMFMXOF-UHFFFAOYSA-N 2 2 331.464 0.656 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2cnn(C)c2)CC(C)C)CC1 ZINC000491805316 439455644 /nfs/dbraw/zinc/45/56/44/439455644.db2.gz NWPDFKVSMFMXOF-UHFFFAOYSA-N 2 2 331.464 0.656 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC1 ZINC000491726822 439434764 /nfs/dbraw/zinc/43/47/64/439434764.db2.gz AYSMKADMBXRHNL-UHFFFAOYSA-N 2 2 345.487 0.541 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(C#N)nc3)C2)CC1 ZINC000599457138 439478816 /nfs/dbraw/zinc/47/88/16/439478816.db2.gz CDMUPPSSWLJBGB-INIZCTEOSA-N 2 2 327.432 0.780 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(C#N)nc3)C2)CC1 ZINC000599457138 439478824 /nfs/dbraw/zinc/47/88/24/439478824.db2.gz CDMUPPSSWLJBGB-INIZCTEOSA-N 2 2 327.432 0.780 20 30 ECEDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593918290 439493406 /nfs/dbraw/zinc/49/34/06/439493406.db2.gz DCZFFIHYQQUFLP-GOSISDBHSA-N 3 2 343.475 0.918 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)CC1 ZINC000748818240 579329463 /nfs/dbraw/zinc/32/94/63/579329463.db2.gz SLDAGHFTHCFTIH-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2CN2CCCC2=O)CC1 ZINC000748818240 579329465 /nfs/dbraw/zinc/32/94/65/579329465.db2.gz SLDAGHFTHCFTIH-KRWDZBQOSA-N 2 2 346.475 0.241 20 30 ECEDLP COCCOCCO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000758761441 579481244 /nfs/dbraw/zinc/48/12/44/579481244.db2.gz LTHHRNHKBGFXAW-UHFFFAOYSA-N 2 2 337.420 0.819 20 30 ECEDLP C[NH+](C)CCCNC(=S)N[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000731928671 578317750 /nfs/dbraw/zinc/31/77/50/578317750.db2.gz NGOCFGABKQJSBR-UHFFFAOYSA-N 2 2 335.481 0.827 20 30 ECEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(C#N)cn3)C2)CC1 ZINC000780465311 578694401 /nfs/dbraw/zinc/69/44/01/578694401.db2.gz IGQGARUVDVQFMI-INIZCTEOSA-N 2 2 342.447 0.921 20 30 ECEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(C#N)cn3)C2)CC1 ZINC000780465311 578694402 /nfs/dbraw/zinc/69/44/02/578694402.db2.gz IGQGARUVDVQFMI-INIZCTEOSA-N 2 2 342.447 0.921 20 30 ECEDLP C#C[C@H]([NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCO1 ZINC000775798173 579271514 /nfs/dbraw/zinc/27/15/14/579271514.db2.gz GMWXFNJPNIRLSL-IKGGRYGDSA-N 2 2 342.443 0.889 20 30 ECEDLP O=C1C[C@@H]([NH2+]CC#Cc2ccccc2)CN1CC[NH+]1CCOCC1 ZINC000893353717 586326547 /nfs/dbraw/zinc/32/65/47/586326547.db2.gz BPIVKZPIJICHGY-GOSISDBHSA-N 2 2 327.428 0.561 20 30 ECEDLP C=CCOC[C@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000804169231 587080748 /nfs/dbraw/zinc/08/07/48/587080748.db2.gz RRLAGXOLOKCIDP-HUUCEWRRSA-N 2 2 336.436 0.278 20 30 ECEDLP C=CCOC[C@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000804169231 587080749 /nfs/dbraw/zinc/08/07/49/587080749.db2.gz RRLAGXOLOKCIDP-HUUCEWRRSA-N 2 2 336.436 0.278 20 30 ECEDLP C=CC[C@@]1(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCC[NH2+]1 ZINC000852866849 589519967 /nfs/dbraw/zinc/51/99/67/589519967.db2.gz MLLHQKDYOOLYJD-INIZCTEOSA-N 2 2 343.493 0.310 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)CC1 ZINC000880224341 590377590 /nfs/dbraw/zinc/37/75/90/590377590.db2.gz FVPITFQDMMONHB-IZAXUBKRSA-N 2 2 327.428 0.404 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000877081958 590437453 /nfs/dbraw/zinc/43/74/53/590437453.db2.gz UVZZQVWYCXIPDF-HUUCEWRRSA-N 2 2 338.839 0.869 20 30 ECEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000877081958 590437455 /nfs/dbraw/zinc/43/74/55/590437455.db2.gz UVZZQVWYCXIPDF-HUUCEWRRSA-N 2 2 338.839 0.869 20 30 ECEDLP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000877082292 590437671 /nfs/dbraw/zinc/43/76/71/590437671.db2.gz OWBFHQPKQNSYQI-SFHVURJKSA-N 2 2 342.443 0.402 20 30 ECEDLP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000877082292 590437674 /nfs/dbraw/zinc/43/76/74/590437674.db2.gz OWBFHQPKQNSYQI-SFHVURJKSA-N 2 2 342.443 0.402 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000884046767 590716370 /nfs/dbraw/zinc/71/63/70/590716370.db2.gz RNHAISADTGFNEK-DLBZAZTESA-N 2 2 336.480 0.740 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000884046767 590716373 /nfs/dbraw/zinc/71/63/73/590716373.db2.gz RNHAISADTGFNEK-DLBZAZTESA-N 2 2 336.480 0.740 20 30 ECEDLP C#CCN1CCC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000886661185 590869643 /nfs/dbraw/zinc/86/96/43/590869643.db2.gz OTUVWGKLXDEEHS-IBGZPJMESA-N 2 2 334.508 0.470 20 30 ECEDLP C#CCN1CCC[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000886661185 590869647 /nfs/dbraw/zinc/86/96/47/590869647.db2.gz OTUVWGKLXDEEHS-IBGZPJMESA-N 2 2 334.508 0.470 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000890376054 591155698 /nfs/dbraw/zinc/15/56/98/591155698.db2.gz ADLYKCVZNQPLQK-IRXDYDNUSA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000890376054 591155699 /nfs/dbraw/zinc/15/56/99/591155699.db2.gz ADLYKCVZNQPLQK-IRXDYDNUSA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000890376055 591155959 /nfs/dbraw/zinc/15/59/59/591155959.db2.gz ADLYKCVZNQPLQK-SJORKVTESA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000890376055 591155964 /nfs/dbraw/zinc/15/59/64/591155964.db2.gz ADLYKCVZNQPLQK-SJORKVTESA-N 2 2 334.464 0.590 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000923595530 609801169 /nfs/dbraw/zinc/80/11/69/609801169.db2.gz UQZZMFCVVHSUST-JKSUJKDBSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000923595530 609801170 /nfs/dbraw/zinc/80/11/70/609801170.db2.gz UQZZMFCVVHSUST-JKSUJKDBSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000923595530 609801172 /nfs/dbraw/zinc/80/11/72/609801172.db2.gz UQZZMFCVVHSUST-JKSUJKDBSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000923595530 609801174 /nfs/dbraw/zinc/80/11/74/609801174.db2.gz UQZZMFCVVHSUST-JKSUJKDBSA-N 2 2 335.448 0.475 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000941437116 610314899 /nfs/dbraw/zinc/31/48/99/610314899.db2.gz SCTGQXFHBIDJRJ-IBGZPJMESA-N 2 2 344.503 0.855 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)C1 ZINC000941437116 610314901 /nfs/dbraw/zinc/31/49/01/610314901.db2.gz SCTGQXFHBIDJRJ-IBGZPJMESA-N 2 2 344.503 0.855 20 30 ECEDLP C=CCC[NH+]1CC(N2CCN(C(=O)CCc3[nH+]ccn3C)CC2)C1 ZINC000941500078 610344490 /nfs/dbraw/zinc/34/44/90/610344490.db2.gz LEZGMMAWXPKZRK-UHFFFAOYSA-N 2 2 331.464 0.757 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603189 610403258 /nfs/dbraw/zinc/40/32/58/610403258.db2.gz GEDUFDIEJGDJGH-AEFFLSMTSA-N 2 2 330.476 0.465 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941603189 610403261 /nfs/dbraw/zinc/40/32/61/610403261.db2.gz GEDUFDIEJGDJGH-AEFFLSMTSA-N 2 2 330.476 0.465 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408358 610722409 /nfs/dbraw/zinc/72/24/09/610722409.db2.gz CEAQNXUZDCLATR-MSOLQXFVSA-N 2 2 344.503 0.713 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408358 610722411 /nfs/dbraw/zinc/72/24/11/610722411.db2.gz CEAQNXUZDCLATR-MSOLQXFVSA-N 2 2 344.503 0.713 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000923118547 611204807 /nfs/dbraw/zinc/20/48/07/611204807.db2.gz WCCZOQQEKJWXNC-HRCADAONSA-N 2 2 336.480 0.881 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000923118547 611204809 /nfs/dbraw/zinc/20/48/09/611204809.db2.gz WCCZOQQEKJWXNC-HRCADAONSA-N 2 2 336.480 0.881 20 30 ECEDLP C=CCC[C@@H](O)CN1CC[NH2+]CC[N@H+](C[C@H](O)CCC=C)CC1 ZINC000923395041 611237560 /nfs/dbraw/zinc/23/75/60/611237560.db2.gz OVYNTJKYPXYDOG-QZTJIDSGSA-N 2 2 325.497 0.848 20 30 ECEDLP C=CCC[C@@H](O)CN1CC[NH2+]CC[N@@H+](C[C@H](O)CCC=C)CC1 ZINC000923395041 611237561 /nfs/dbraw/zinc/23/75/61/611237561.db2.gz OVYNTJKYPXYDOG-QZTJIDSGSA-N 2 2 325.497 0.848 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000950648112 611815975 /nfs/dbraw/zinc/81/59/75/611815975.db2.gz AJKZLNZLMSLHRA-ZACQAIPSSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000950648112 611815977 /nfs/dbraw/zinc/81/59/77/611815977.db2.gz AJKZLNZLMSLHRA-ZACQAIPSSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCO2 ZINC000949194359 611895817 /nfs/dbraw/zinc/89/58/17/611895817.db2.gz RSSRTDNFZODBQH-HZPDHXFCSA-N 2 2 342.443 0.850 20 30 ECEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC000949529520 612022680 /nfs/dbraw/zinc/02/26/80/612022680.db2.gz XYIJCOASOGZYRL-KRWDZBQOSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC000949529520 612022681 /nfs/dbraw/zinc/02/26/81/612022681.db2.gz XYIJCOASOGZYRL-KRWDZBQOSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193781 732624756 /nfs/dbraw/zinc/62/47/56/732624756.db2.gz IABKCDQQAVXPQA-HDMKZQKVSA-N 2 2 337.439 0.744 20 30 ECEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193781 732624758 /nfs/dbraw/zinc/62/47/58/732624758.db2.gz IABKCDQQAVXPQA-HDMKZQKVSA-N 2 2 337.439 0.744 20 30 ECEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193781 732624761 /nfs/dbraw/zinc/62/47/61/732624761.db2.gz IABKCDQQAVXPQA-HDMKZQKVSA-N 2 2 337.439 0.744 20 30 ECEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193781 732624764 /nfs/dbraw/zinc/62/47/64/732624764.db2.gz IABKCDQQAVXPQA-HDMKZQKVSA-N 2 2 337.439 0.744 20 30 ECEDLP C#CCC[N@@H+](CCO)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001098532770 733051222 /nfs/dbraw/zinc/05/12/22/733051222.db2.gz DIIKEAJLPZDMOF-UHFFFAOYSA-N 2 2 332.448 0.996 20 30 ECEDLP C#CCC[N@H+](CCO)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001098532770 733051225 /nfs/dbraw/zinc/05/12/25/733051225.db2.gz DIIKEAJLPZDMOF-UHFFFAOYSA-N 2 2 332.448 0.996 20 30 ECEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000970213725 733204019 /nfs/dbraw/zinc/20/40/19/733204019.db2.gz OPFUTCZJTXANKF-CRAIPNDOSA-N 2 2 333.476 0.947 20 30 ECEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000970213725 733204024 /nfs/dbraw/zinc/20/40/24/733204024.db2.gz OPFUTCZJTXANKF-CRAIPNDOSA-N 2 2 333.476 0.947 20 30 ECEDLP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167432044 734248439 /nfs/dbraw/zinc/24/84/39/734248439.db2.gz DFTOULXRZQBGCM-HNNXBMFYSA-N 2 2 348.451 0.692 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000972439041 736196502 /nfs/dbraw/zinc/19/65/02/736196502.db2.gz SYJPZFNYCXVJNJ-QFBILLFUSA-N 2 2 342.443 0.772 20 30 ECEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000972439041 736196505 /nfs/dbraw/zinc/19/65/05/736196505.db2.gz SYJPZFNYCXVJNJ-QFBILLFUSA-N 2 2 342.443 0.772 20 30 ECEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000972518426 736538577 /nfs/dbraw/zinc/53/85/77/736538577.db2.gz IVUQLKFBDJVQCD-SJLPKXTDSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000972518426 736538579 /nfs/dbraw/zinc/53/85/79/736538579.db2.gz IVUQLKFBDJVQCD-SJLPKXTDSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972518426 736538581 /nfs/dbraw/zinc/53/85/81/736538581.db2.gz IVUQLKFBDJVQCD-SJLPKXTDSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000972518426 736538583 /nfs/dbraw/zinc/53/85/83/736538583.db2.gz IVUQLKFBDJVQCD-SJLPKXTDSA-N 2 2 337.464 0.585 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC001023424376 736813334 /nfs/dbraw/zinc/81/33/34/736813334.db2.gz WJSYYGYMXCWZEF-WBVHZDCISA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC001023424376 736813337 /nfs/dbraw/zinc/81/33/37/736813337.db2.gz WJSYYGYMXCWZEF-WBVHZDCISA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2cnnn2C)C1 ZINC001023424376 736813341 /nfs/dbraw/zinc/81/33/41/736813341.db2.gz WJSYYGYMXCWZEF-WBVHZDCISA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](Cc2cnnn2C)C1 ZINC001023424376 736813343 /nfs/dbraw/zinc/81/33/43/736813343.db2.gz WJSYYGYMXCWZEF-WBVHZDCISA-N 2 2 344.463 0.241 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972679385 737362918 /nfs/dbraw/zinc/36/29/18/737362918.db2.gz YRZRRISOYPUAPO-PKOBYXMFSA-N 2 2 349.475 0.281 20 30 ECEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972679385 737362923 /nfs/dbraw/zinc/36/29/23/737362923.db2.gz YRZRRISOYPUAPO-PKOBYXMFSA-N 2 2 349.475 0.281 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001027170466 742961933 /nfs/dbraw/zinc/96/19/33/742961933.db2.gz KKCNMRDFVGMALI-GOEBONIOSA-N 2 2 345.447 0.188 20 30 ECEDLP CC[C@H](C)[N@H+](C)CCNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261984792 743266949 /nfs/dbraw/zinc/26/69/49/743266949.db2.gz PTFNRNYGICLPOJ-ZDUSSCGKSA-N 2 2 332.514 0.801 20 30 ECEDLP CC[C@H](C)[N@@H+](C)CCNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261984792 743266952 /nfs/dbraw/zinc/26/69/52/743266952.db2.gz PTFNRNYGICLPOJ-ZDUSSCGKSA-N 2 2 332.514 0.801 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1=O ZINC000997220913 743365761 /nfs/dbraw/zinc/36/57/61/743365761.db2.gz HIWZJMVCUMXVBD-OAHLLOKOSA-N 2 2 345.447 0.628 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000997832822 743842622 /nfs/dbraw/zinc/84/26/22/743842622.db2.gz WSDRMNWLRRIHJO-INIZCTEOSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000997832822 743842618 /nfs/dbraw/zinc/84/26/18/743842618.db2.gz WSDRMNWLRRIHJO-INIZCTEOSA-N 2 2 347.488 0.964 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(C)no2)C1 ZINC000998922499 744407015 /nfs/dbraw/zinc/40/70/15/744407015.db2.gz GFADGRFJXDQMMM-NRXISQOPSA-N 2 2 331.420 0.555 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(C)no2)C1 ZINC000998922499 744407018 /nfs/dbraw/zinc/40/70/18/744407018.db2.gz GFADGRFJXDQMMM-NRXISQOPSA-N 2 2 331.420 0.555 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC000999917091 745052753 /nfs/dbraw/zinc/05/27/53/745052753.db2.gz SFASWJMTMMYYNQ-YMAMQOFZSA-N 2 2 331.420 0.249 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21 ZINC000978286928 746151190 /nfs/dbraw/zinc/15/11/90/746151190.db2.gz XMTFIHJPEVKKIG-FJIDUMEYSA-N 2 2 342.443 0.875 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]21 ZINC000978286928 746151191 /nfs/dbraw/zinc/15/11/91/746151191.db2.gz XMTFIHJPEVKKIG-FJIDUMEYSA-N 2 2 342.443 0.875 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cc(C)on3)C[C@H]21 ZINC000978286928 746151193 /nfs/dbraw/zinc/15/11/93/746151193.db2.gz XMTFIHJPEVKKIG-FJIDUMEYSA-N 2 2 342.443 0.875 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](Cc3cc(C)on3)C[C@H]21 ZINC000978286928 746151194 /nfs/dbraw/zinc/15/11/94/746151194.db2.gz XMTFIHJPEVKKIG-FJIDUMEYSA-N 2 2 342.443 0.875 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001098728410 748523495 /nfs/dbraw/zinc/52/34/95/748523495.db2.gz OSUFYEFFUCCWEC-RDJZCZTQSA-N 2 2 344.463 0.649 20 30 ECEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1 ZINC001098728410 748523499 /nfs/dbraw/zinc/52/34/99/748523499.db2.gz OSUFYEFFUCCWEC-RDJZCZTQSA-N 2 2 344.463 0.649 20 30 ECEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001112208835 750142980 /nfs/dbraw/zinc/14/29/80/750142980.db2.gz GBUGHDDNYNWLFQ-MCIONIFRSA-N 2 2 347.381 0.709 20 30 ECEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001112208835 750142983 /nfs/dbraw/zinc/14/29/83/750142983.db2.gz GBUGHDDNYNWLFQ-MCIONIFRSA-N 2 2 347.381 0.709 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464767 752753168 /nfs/dbraw/zinc/75/31/68/752753168.db2.gz FEPHXWUWEMNITI-CZUORRHYSA-N 2 2 348.472 0.888 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464767 752753173 /nfs/dbraw/zinc/75/31/73/752753173.db2.gz FEPHXWUWEMNITI-CZUORRHYSA-N 2 2 348.472 0.888 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464767 752753178 /nfs/dbraw/zinc/75/31/78/752753178.db2.gz FEPHXWUWEMNITI-CZUORRHYSA-N 2 2 348.472 0.888 20 30 ECEDLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001028464767 752753182 /nfs/dbraw/zinc/75/31/82/752753182.db2.gz FEPHXWUWEMNITI-CZUORRHYSA-N 2 2 348.472 0.888 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CC=C)nn2)C1 ZINC001098683155 753690777 /nfs/dbraw/zinc/69/07/77/753690777.db2.gz RGXIVXFBJCMYAO-IRXDYDNUSA-N 2 2 342.447 0.425 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](n2cc(C[NH2+]CC=C)nn2)C1 ZINC001098683155 753690778 /nfs/dbraw/zinc/69/07/78/753690778.db2.gz RGXIVXFBJCMYAO-IRXDYDNUSA-N 2 2 342.447 0.425 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nc(C)no3)C[C@@H]2C)CC1 ZINC000989828794 754498527 /nfs/dbraw/zinc/49/85/27/754498527.db2.gz IUSCDZLDQIPTIX-XJKSGUPXSA-N 2 2 345.447 0.802 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC001105377268 754520152 /nfs/dbraw/zinc/52/01/52/754520152.db2.gz XAFIQQLGCYKMCB-GASCZTMLSA-N 2 2 344.463 0.647 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC001105377268 754520156 /nfs/dbraw/zinc/52/01/56/754520156.db2.gz XAFIQQLGCYKMCB-GASCZTMLSA-N 2 2 344.463 0.647 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC001022220777 758441452 /nfs/dbraw/zinc/44/14/52/758441452.db2.gz OWMOSDSJZVFUHZ-ZNMIVQPWSA-N 2 2 330.436 0.132 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC001022220777 758441458 /nfs/dbraw/zinc/44/14/58/758441458.db2.gz OWMOSDSJZVFUHZ-ZNMIVQPWSA-N 2 2 330.436 0.132 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)C1=O ZINC000996718322 758603434 /nfs/dbraw/zinc/60/34/34/758603434.db2.gz XRGAHYDTYWHQCT-CABCVRRESA-N 2 2 345.447 0.497 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cnoc3C)C2)CC1 ZINC001032205562 759616157 /nfs/dbraw/zinc/61/61/57/759616157.db2.gz AREOCNDNETUCCO-UHFFFAOYSA-N 2 2 330.432 0.876 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1 ZINC000995923140 760783451 /nfs/dbraw/zinc/78/34/51/760783451.db2.gz LVXHTVCCLVPZSU-IRXDYDNUSA-N 2 2 343.475 0.844 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1 ZINC000995923140 760783454 /nfs/dbraw/zinc/78/34/54/760783454.db2.gz LVXHTVCCLVPZSU-IRXDYDNUSA-N 2 2 343.475 0.844 20 30 ECEDLP C#CC[NH+]1CCc2c(CNC(=O)[C@H]3C[N@H+](C)CCO3)cccc2C1 ZINC001051284629 761825224 /nfs/dbraw/zinc/82/52/24/761825224.db2.gz ZBFCGMXLDSEXRY-GOSISDBHSA-N 2 2 327.428 0.625 20 30 ECEDLP C#CC[NH+]1CCc2c(CNC(=O)[C@H]3C[N@@H+](C)CCO3)cccc2C1 ZINC001051284629 761825234 /nfs/dbraw/zinc/82/52/34/761825234.db2.gz ZBFCGMXLDSEXRY-GOSISDBHSA-N 2 2 327.428 0.625 20 30 ECEDLP C#CC[N@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)CCO3)cccc2C1 ZINC001051284629 761825243 /nfs/dbraw/zinc/82/52/43/761825243.db2.gz ZBFCGMXLDSEXRY-GOSISDBHSA-N 2 2 327.428 0.625 20 30 ECEDLP C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3C[NH+](C)CCO3)cccc2C1 ZINC001051284629 761825248 /nfs/dbraw/zinc/82/52/48/761825248.db2.gz ZBFCGMXLDSEXRY-GOSISDBHSA-N 2 2 327.428 0.625 20 30 ECEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031858606 763098939 /nfs/dbraw/zinc/09/89/39/763098939.db2.gz CYFQPBADBPHDHI-UGWHAMFMSA-N 2 2 325.840 0.650 20 30 ECEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031858606 763098943 /nfs/dbraw/zinc/09/89/43/763098943.db2.gz CYFQPBADBPHDHI-UGWHAMFMSA-N 2 2 325.840 0.650 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2cnn(C)c2)C1 ZINC001014774412 763133812 /nfs/dbraw/zinc/13/38/12/763133812.db2.gz DXXJJJVTWXMTTO-IRXDYDNUSA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001014774412 763133818 /nfs/dbraw/zinc/13/38/18/763133818.db2.gz DXXJJJVTWXMTTO-IRXDYDNUSA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001014774412 763133824 /nfs/dbraw/zinc/13/38/24/763133824.db2.gz DXXJJJVTWXMTTO-IRXDYDNUSA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001014774412 763133830 /nfs/dbraw/zinc/13/38/30/763133830.db2.gz DXXJJJVTWXMTTO-IRXDYDNUSA-N 2 2 329.448 0.251 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCN2CCCC2=O)C1 ZINC001014777689 763137440 /nfs/dbraw/zinc/13/74/40/763137440.db2.gz APAFGTMZPUAWCH-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCN2CCCC2=O)C1 ZINC001014777689 763137444 /nfs/dbraw/zinc/13/74/44/763137444.db2.gz APAFGTMZPUAWCH-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCN2CCCC2=O)C1 ZINC001014777689 763137451 /nfs/dbraw/zinc/13/74/51/763137451.db2.gz APAFGTMZPUAWCH-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCN2CCCC2=O)C1 ZINC001014777689 763137457 /nfs/dbraw/zinc/13/74/57/763137457.db2.gz APAFGTMZPUAWCH-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3cnnn3C)C2)CC1 ZINC001046849556 763226861 /nfs/dbraw/zinc/22/68/61/763226861.db2.gz HFDXCZYOPDIZKL-GOSISDBHSA-N 2 2 344.463 0.241 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3cnnn3C)C2)CC1 ZINC001046849556 763226867 /nfs/dbraw/zinc/22/68/67/763226867.db2.gz HFDXCZYOPDIZKL-GOSISDBHSA-N 2 2 344.463 0.241 20 30 ECEDLP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046924026 763393636 /nfs/dbraw/zinc/39/36/36/763393636.db2.gz BRKZINNVZBZFKN-KGLIPLIRSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046924026 763393644 /nfs/dbraw/zinc/39/36/44/763393644.db2.gz BRKZINNVZBZFKN-KGLIPLIRSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046924026 763393649 /nfs/dbraw/zinc/39/36/49/763393649.db2.gz BRKZINNVZBZFKN-KGLIPLIRSA-N 2 2 329.391 0.414 20 30 ECEDLP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046924026 763393655 /nfs/dbraw/zinc/39/36/55/763393655.db2.gz BRKZINNVZBZFKN-KGLIPLIRSA-N 2 2 329.391 0.414 20 30 ECEDLP N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC001052051560 763711547 /nfs/dbraw/zinc/71/15/47/763711547.db2.gz BGDMXVFYVHSADM-QGZVFWFLSA-N 2 2 338.415 0.690 20 30 ECEDLP C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001052052605 763717272 /nfs/dbraw/zinc/71/72/72/763717272.db2.gz QXOQXXNLFBLAKU-KRWDZBQOSA-N 2 2 331.464 0.986 20 30 ECEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071540 763771855 /nfs/dbraw/zinc/77/18/55/763771855.db2.gz VIKFTSFNYYHUGR-GBESFXJTSA-N 2 2 346.519 0.959 20 30 ECEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001052071540 763771860 /nfs/dbraw/zinc/77/18/60/763771860.db2.gz VIKFTSFNYYHUGR-GBESFXJTSA-N 2 2 346.519 0.959 20 30 ECEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047409755 764257996 /nfs/dbraw/zinc/25/79/96/764257996.db2.gz YDEXBEGOSZQHGQ-BZSNNMDCSA-N 2 2 333.476 0.920 20 30 ECEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047409755 764258000 /nfs/dbraw/zinc/25/80/00/764258000.db2.gz YDEXBEGOSZQHGQ-BZSNNMDCSA-N 2 2 333.476 0.920 20 30 ECEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001047409755 764258006 /nfs/dbraw/zinc/25/80/06/764258006.db2.gz YDEXBEGOSZQHGQ-BZSNNMDCSA-N 2 2 333.476 0.920 20 30 ECEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001047409755 764258010 /nfs/dbraw/zinc/25/80/10/764258010.db2.gz YDEXBEGOSZQHGQ-BZSNNMDCSA-N 2 2 333.476 0.920 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCOC2CCC2)C[C@@H]1O ZINC001047415184 764273522 /nfs/dbraw/zinc/27/35/22/764273522.db2.gz LKRABYZCFBTRHD-BZSNNMDCSA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCOC2CCC2)C[C@@H]1O ZINC001047415184 764273527 /nfs/dbraw/zinc/27/35/27/764273527.db2.gz LKRABYZCFBTRHD-BZSNNMDCSA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCOC2CCC2)C[C@@H]1O ZINC001047415184 764273537 /nfs/dbraw/zinc/27/35/37/764273537.db2.gz LKRABYZCFBTRHD-BZSNNMDCSA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCOC2CCC2)C[C@@H]1O ZINC001047415184 764273546 /nfs/dbraw/zinc/27/35/46/764273546.db2.gz LKRABYZCFBTRHD-BZSNNMDCSA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](C[C@@H](CC)OC)C[C@@H]1O ZINC001047415361 764274779 /nfs/dbraw/zinc/27/47/79/764274779.db2.gz VNWZFBFYGHMULW-QZWWFDLISA-N 2 2 337.464 0.013 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@@H](CC)OC)C[C@@H]1O ZINC001047415361 764274785 /nfs/dbraw/zinc/27/47/85/764274785.db2.gz VNWZFBFYGHMULW-QZWWFDLISA-N 2 2 337.464 0.013 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@@H](CC)OC)C[C@@H]1O ZINC001047415361 764274793 /nfs/dbraw/zinc/27/47/93/764274793.db2.gz VNWZFBFYGHMULW-QZWWFDLISA-N 2 2 337.464 0.013 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@@H](CC)OC)C[C@@H]1O ZINC001047415361 764274803 /nfs/dbraw/zinc/27/48/03/764274803.db2.gz VNWZFBFYGHMULW-QZWWFDLISA-N 2 2 337.464 0.013 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1=O ZINC001052749725 765063634 /nfs/dbraw/zinc/06/36/34/765063634.db2.gz ZLSQRXSBTPKKLO-GOEBONIOSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)Cc3c[nH]c[nH+]3)CC2)C1=O ZINC001052749725 765063641 /nfs/dbraw/zinc/06/36/41/765063641.db2.gz ZLSQRXSBTPKKLO-GOEBONIOSA-N 2 2 345.447 0.710 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001052970854 765433463 /nfs/dbraw/zinc/43/34/63/765433463.db2.gz ZVKPMSMYQMDWFO-HZPDHXFCSA-N 2 2 345.447 0.641 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3)CC2)C1=O ZINC001052970854 765433468 /nfs/dbraw/zinc/43/34/68/765433468.db2.gz ZVKPMSMYQMDWFO-HZPDHXFCSA-N 2 2 345.447 0.641 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001045943828 766514076 /nfs/dbraw/zinc/51/40/76/766514076.db2.gz POJHCAUWJFFVOI-LPHOPBHVSA-N 2 2 346.475 0.274 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001045943828 766514080 /nfs/dbraw/zinc/51/40/80/766514080.db2.gz POJHCAUWJFFVOI-LPHOPBHVSA-N 2 2 346.475 0.274 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001045943828 766514084 /nfs/dbraw/zinc/51/40/84/766514084.db2.gz POJHCAUWJFFVOI-LPHOPBHVSA-N 2 2 346.475 0.274 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001045943828 766514087 /nfs/dbraw/zinc/51/40/87/766514087.db2.gz POJHCAUWJFFVOI-LPHOPBHVSA-N 2 2 346.475 0.274 20 30 ECEDLP C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)[NH+]1CCCCCC1 ZINC001046068748 766865007 /nfs/dbraw/zinc/86/50/07/766865007.db2.gz SCNSNJPLVLXMRE-ZWKOTPCHSA-N 2 2 347.507 0.993 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC[NH+](CC#C)CC1)CO2 ZINC001054015627 767605328 /nfs/dbraw/zinc/60/53/28/767605328.db2.gz MBOFLAPSCCPGSY-KRWDZBQOSA-N 2 2 329.444 0.314 20 30 ECEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001106621622 768519751 /nfs/dbraw/zinc/51/97/51/768519751.db2.gz VNYTYOVEAZJAAS-UNEWFSDZSA-N 2 2 345.447 0.164 20 30 ECEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001106621622 768519755 /nfs/dbraw/zinc/51/97/55/768519755.db2.gz VNYTYOVEAZJAAS-UNEWFSDZSA-N 2 2 345.447 0.164 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001018362272 769197276 /nfs/dbraw/zinc/19/72/76/769197276.db2.gz DZLKOISWYYGDFI-IRXDYDNUSA-N 2 2 348.491 0.649 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001018362272 769197283 /nfs/dbraw/zinc/19/72/83/769197283.db2.gz DZLKOISWYYGDFI-IRXDYDNUSA-N 2 2 348.491 0.649 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001018362268 769198322 /nfs/dbraw/zinc/19/83/22/769198322.db2.gz DZLKOISWYYGDFI-DLBZAZTESA-N 2 2 348.491 0.649 20 30 ECEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001018362268 769198333 /nfs/dbraw/zinc/19/83/33/769198333.db2.gz DZLKOISWYYGDFI-DLBZAZTESA-N 2 2 348.491 0.649 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2csnn2)C1 ZINC001018986290 770486436 /nfs/dbraw/zinc/48/64/36/770486436.db2.gz XNTBCCHDYAEUHB-YDHLFZDLSA-N 2 2 333.461 0.887 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)c2csnn2)C1 ZINC001018986290 770486444 /nfs/dbraw/zinc/48/64/44/770486444.db2.gz XNTBCCHDYAEUHB-YDHLFZDLSA-N 2 2 333.461 0.887 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nnc(CC)o2)C1 ZINC001018986346 770487032 /nfs/dbraw/zinc/48/70/32/770487032.db2.gz ZJUFQDJCSVGUPZ-ILXRZTDVSA-N 2 2 345.447 0.981 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nnc(CC)o2)C1 ZINC001018986346 770487034 /nfs/dbraw/zinc/48/70/34/770487034.db2.gz ZJUFQDJCSVGUPZ-ILXRZTDVSA-N 2 2 345.447 0.981 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1=O ZINC001019656518 771677930 /nfs/dbraw/zinc/67/79/30/771677930.db2.gz KNIHLVLYKNUMJQ-KBPBESRZSA-N 2 2 345.447 0.665 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001045073790 774936580 /nfs/dbraw/zinc/93/65/80/774936580.db2.gz PVHCOKUHEXNQKS-IRXDYDNUSA-N 2 2 344.463 0.476 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC001045073790 774936584 /nfs/dbraw/zinc/93/65/84/774936584.db2.gz PVHCOKUHEXNQKS-IRXDYDNUSA-N 2 2 344.463 0.476 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024422 790362568 /nfs/dbraw/zinc/36/25/68/790362568.db2.gz OUHLFWBTHDPXDA-CVEARBPZSA-N 2 2 344.463 0.375 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024422 790362580 /nfs/dbraw/zinc/36/25/80/790362580.db2.gz OUHLFWBTHDPXDA-CVEARBPZSA-N 2 2 344.463 0.375 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024422 790362592 /nfs/dbraw/zinc/36/25/92/790362592.db2.gz OUHLFWBTHDPXDA-CVEARBPZSA-N 2 2 344.463 0.375 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024422 790362606 /nfs/dbraw/zinc/36/26/06/790362606.db2.gz OUHLFWBTHDPXDA-CVEARBPZSA-N 2 2 344.463 0.375 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024508 790363256 /nfs/dbraw/zinc/36/32/56/790363256.db2.gz SRVXBTIEXBGPTN-CABCVRRESA-N 2 2 332.452 0.538 20 30 ECEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024508 790363269 /nfs/dbraw/zinc/36/32/69/790363269.db2.gz SRVXBTIEXBGPTN-CABCVRRESA-N 2 2 332.452 0.538 20 30 ECEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024508 790363281 /nfs/dbraw/zinc/36/32/81/790363281.db2.gz SRVXBTIEXBGPTN-CABCVRRESA-N 2 2 332.452 0.538 20 30 ECEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001070024508 790363293 /nfs/dbraw/zinc/36/32/93/790363293.db2.gz SRVXBTIEXBGPTN-CABCVRRESA-N 2 2 332.452 0.538 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@@H]1n1ccnn1 ZINC001070272472 783774578 /nfs/dbraw/zinc/77/45/78/783774578.db2.gz NUIVYRSOVXCWBU-CFVMTHIKSA-N 2 2 339.403 0.096 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001070291959 783798605 /nfs/dbraw/zinc/79/86/05/783798605.db2.gz DAHXARMTFZJKCI-BMFZPTHFSA-N 2 2 343.435 0.798 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070291959 783798612 /nfs/dbraw/zinc/79/86/12/783798612.db2.gz DAHXARMTFZJKCI-BMFZPTHFSA-N 2 2 343.435 0.798 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@@H+](CCCC)CC1 ZINC001070970626 784271029 /nfs/dbraw/zinc/27/10/29/784271029.db2.gz OTVKJLFPIPUHFL-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[N@H+](CCCC)CC1 ZINC001070970626 784271031 /nfs/dbraw/zinc/27/10/31/784271031.db2.gz OTVKJLFPIPUHFL-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[NH+](CCCC)CC1 ZINC001070970626 784271035 /nfs/dbraw/zinc/27/10/35/784271035.db2.gz OTVKJLFPIPUHFL-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(=O)NCC[NH+](CCCC)CC1 ZINC001070970626 784271040 /nfs/dbraw/zinc/27/10/40/784271040.db2.gz OTVKJLFPIPUHFL-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001071021676 784443322 /nfs/dbraw/zinc/44/33/22/784443322.db2.gz AYLVQCMABCUIHC-CALCHBBNSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CCC[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001071021676 784443325 /nfs/dbraw/zinc/44/33/25/784443325.db2.gz AYLVQCMABCUIHC-CALCHBBNSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001071021676 784443327 /nfs/dbraw/zinc/44/33/27/784443327.db2.gz AYLVQCMABCUIHC-CALCHBBNSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001071021676 784443331 /nfs/dbraw/zinc/44/33/31/784443331.db2.gz AYLVQCMABCUIHC-CALCHBBNSA-N 2 2 348.491 0.533 20 30 ECEDLP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001071098277 784539019 /nfs/dbraw/zinc/53/90/19/784539019.db2.gz GOFZACONSXQENT-AEFFLSMTSA-N 2 2 330.432 0.582 20 30 ECEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071218057 784761145 /nfs/dbraw/zinc/76/11/45/784761145.db2.gz IEEGUOCEGTVPCM-AEFFLSMTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC001071218057 784761152 /nfs/dbraw/zinc/76/11/52/784761152.db2.gz IEEGUOCEGTVPCM-AEFFLSMTSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCF)CCCO2)CC1 ZINC001073899221 787474010 /nfs/dbraw/zinc/47/40/10/787474010.db2.gz NXFDPPDOJCNTOI-MRXNPFEDSA-N 2 2 325.428 0.508 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCF)CCCO2)CC1 ZINC001073899221 787474012 /nfs/dbraw/zinc/47/40/12/787474012.db2.gz NXFDPPDOJCNTOI-MRXNPFEDSA-N 2 2 325.428 0.508 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C)C1=O ZINC001074680710 787577720 /nfs/dbraw/zinc/57/77/20/787577720.db2.gz WUOUMEYIVRNYTB-CWRNSKLLSA-N 2 2 345.447 0.708 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C)C1=O ZINC001074680710 787577725 /nfs/dbraw/zinc/57/77/25/787577725.db2.gz WUOUMEYIVRNYTB-CWRNSKLLSA-N 2 2 345.447 0.708 20 30 ECEDLP C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001075394698 789320977 /nfs/dbraw/zinc/32/09/77/789320977.db2.gz FZHBGDFLGLDWDR-RDJZCZTQSA-N 2 2 330.432 0.961 20 30 ECEDLP C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001075397037 789323632 /nfs/dbraw/zinc/32/36/32/789323632.db2.gz GTUAWRLJONERLD-IRXDYDNUSA-N 2 2 330.432 0.892 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)Cn4cc[nH+]c4)C3)C2)C1=O ZINC001073483706 789885912 /nfs/dbraw/zinc/88/59/12/789885912.db2.gz FJDCAOGMRITEHN-OAHLLOKOSA-N 2 2 343.431 0.204 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)Cn4cc[nH+]c4)C3)C2)C1=O ZINC001073483706 789885919 /nfs/dbraw/zinc/88/59/19/789885919.db2.gz FJDCAOGMRITEHN-OAHLLOKOSA-N 2 2 343.431 0.204 20 30 ECEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)c2C1 ZINC001069864430 790120311 /nfs/dbraw/zinc/12/03/11/790120311.db2.gz PCHTZHWMGJBBSL-RHSMWYFYSA-N 2 2 347.463 0.610 20 30 ECEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)c2C1 ZINC001069864430 790120315 /nfs/dbraw/zinc/12/03/15/790120315.db2.gz PCHTZHWMGJBBSL-RHSMWYFYSA-N 2 2 347.463 0.610 20 30 ECEDLP C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)c2C1 ZINC001069864430 790120318 /nfs/dbraw/zinc/12/03/18/790120318.db2.gz PCHTZHWMGJBBSL-RHSMWYFYSA-N 2 2 347.463 0.610 20 30 ECEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)c2C1 ZINC001069864430 790120321 /nfs/dbraw/zinc/12/03/21/790120321.db2.gz PCHTZHWMGJBBSL-RHSMWYFYSA-N 2 2 347.463 0.610 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069949364 790229233 /nfs/dbraw/zinc/22/92/33/790229233.db2.gz UNENBMNTCCTSDI-PMPSAXMXSA-N 2 2 348.426 0.077 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1n1ccnn1 ZINC001069949364 790229236 /nfs/dbraw/zinc/22/92/36/790229236.db2.gz UNENBMNTCCTSDI-PMPSAXMXSA-N 2 2 348.426 0.077 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001069949364 790229238 /nfs/dbraw/zinc/22/92/38/790229238.db2.gz UNENBMNTCCTSDI-PMPSAXMXSA-N 2 2 348.426 0.077 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1n1ccnn1 ZINC001069949364 790229242 /nfs/dbraw/zinc/22/92/42/790229242.db2.gz UNENBMNTCCTSDI-PMPSAXMXSA-N 2 2 348.426 0.077 20 30 ECEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](n2ccnn2)C1 ZINC001069965902 790252582 /nfs/dbraw/zinc/25/25/82/790252582.db2.gz LMZBVYIICXZMND-SJORKVTESA-N 2 2 349.398 0.523 20 30 ECEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](n2ccnn2)C1 ZINC001069965902 790252585 /nfs/dbraw/zinc/25/25/85/790252585.db2.gz LMZBVYIICXZMND-SJORKVTESA-N 2 2 349.398 0.523 20 30 ECEDLP C=CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001267486318 837548292 /nfs/dbraw/zinc/54/82/92/837548292.db2.gz BJKDTAMJXSVPDB-CQSZACIVSA-N 2 2 347.463 0.861 20 30 ECEDLP C=CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001267486318 837548301 /nfs/dbraw/zinc/54/83/01/837548301.db2.gz BJKDTAMJXSVPDB-CQSZACIVSA-N 2 2 347.463 0.861 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NCC)CC1 ZINC001267538597 837720277 /nfs/dbraw/zinc/72/02/77/837720277.db2.gz UTLPJUGQGILJJI-CALCHBBNSA-N 2 2 346.475 0.143 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NCC)CC1 ZINC001267538597 837720285 /nfs/dbraw/zinc/72/02/85/837720285.db2.gz UTLPJUGQGILJJI-CALCHBBNSA-N 2 2 346.475 0.143 20 30 ECEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001266298061 835652026 /nfs/dbraw/zinc/65/20/26/835652026.db2.gz ZANYCNSLDDVPSA-UHFFFAOYSA-N 2 2 342.403 0.231 20 30 ECEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001266298061 835652030 /nfs/dbraw/zinc/65/20/30/835652030.db2.gz ZANYCNSLDDVPSA-UHFFFAOYSA-N 2 2 342.403 0.231 20 30 ECEDLP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001266914364 836472470 /nfs/dbraw/zinc/47/24/70/836472470.db2.gz HXRCQXQREJKIFT-NFOMZHRRSA-N 2 2 345.447 0.355 20 30 ECEDLP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001266914364 836472476 /nfs/dbraw/zinc/47/24/76/836472476.db2.gz HXRCQXQREJKIFT-NFOMZHRRSA-N 2 2 345.447 0.355 20 30 ECEDLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267094549 836752635 /nfs/dbraw/zinc/75/26/35/836752635.db2.gz URGIURIRCJCHQK-KBPBESRZSA-N 2 2 346.435 0.009 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001267268940 837107312 /nfs/dbraw/zinc/10/73/12/837107312.db2.gz IIKRHIXOCCDWGR-HZPDHXFCSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001267268940 837107316 /nfs/dbraw/zinc/10/73/16/837107316.db2.gz IIKRHIXOCCDWGR-HZPDHXFCSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001267268940 837107321 /nfs/dbraw/zinc/10/73/21/837107321.db2.gz IIKRHIXOCCDWGR-HZPDHXFCSA-N 2 2 336.480 0.744 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001267268940 837107327 /nfs/dbraw/zinc/10/73/27/837107327.db2.gz IIKRHIXOCCDWGR-HZPDHXFCSA-N 2 2 336.480 0.744 20 30 ECEDLP CCC[N@@H+](CC#CCOC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267315681 837190950 /nfs/dbraw/zinc/19/09/50/837190950.db2.gz ROTWVPDSKFEMFS-INIZCTEOSA-N 2 2 332.448 0.924 20 30 ECEDLP CCC[N@H+](CC#CCOC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267315681 837190957 /nfs/dbraw/zinc/19/09/57/837190957.db2.gz ROTWVPDSKFEMFS-INIZCTEOSA-N 2 2 332.448 0.924 20 30 ECEDLP C#CCNC(=O)C[N@H+](CCC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267315260 837192374 /nfs/dbraw/zinc/19/23/74/837192374.db2.gz HNMDBEIJTUNBBD-HNNXBMFYSA-N 2 2 345.447 0.023 20 30 ECEDLP C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267315260 837192379 /nfs/dbraw/zinc/19/23/79/837192379.db2.gz HNMDBEIJTUNBBD-HNNXBMFYSA-N 2 2 345.447 0.023 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC001267386740 837323889 /nfs/dbraw/zinc/32/38/89/837323889.db2.gz SXWHUHMKZUTZRZ-INIZCTEOSA-N 2 2 346.479 0.679 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC001267386740 837323898 /nfs/dbraw/zinc/32/38/98/837323898.db2.gz SXWHUHMKZUTZRZ-INIZCTEOSA-N 2 2 346.479 0.679 20 30 ECEDLP C#CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001267607752 837951730 /nfs/dbraw/zinc/95/17/30/837951730.db2.gz TVSKOSHFIIVKRK-KRWDZBQOSA-N 2 2 343.475 0.545 20 30 ECEDLP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267691233 838261613 /nfs/dbraw/zinc/26/16/13/838261613.db2.gz WCGHXFNZXAWWRD-HZPDHXFCSA-N 2 2 347.463 0.917 20 30 ECEDLP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001267691233 838261623 /nfs/dbraw/zinc/26/16/23/838261623.db2.gz WCGHXFNZXAWWRD-HZPDHXFCSA-N 2 2 347.463 0.917 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001267749311 838464878 /nfs/dbraw/zinc/46/48/78/838464878.db2.gz GDQWVTJOQZEWPU-QGZVFWFLSA-N 2 2 344.459 0.855 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001267749311 838464883 /nfs/dbraw/zinc/46/48/83/838464883.db2.gz GDQWVTJOQZEWPU-QGZVFWFLSA-N 2 2 344.459 0.855 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267761951 838491098 /nfs/dbraw/zinc/49/10/98/838491098.db2.gz MGPGTGRJGRZDRD-CVEARBPZSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267761951 838491101 /nfs/dbraw/zinc/49/11/01/838491101.db2.gz MGPGTGRJGRZDRD-CVEARBPZSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267761951 838491104 /nfs/dbraw/zinc/49/11/04/838491104.db2.gz MGPGTGRJGRZDRD-CVEARBPZSA-N 2 2 336.480 0.694 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267761951 838491108 /nfs/dbraw/zinc/49/11/08/838491108.db2.gz MGPGTGRJGRZDRD-CVEARBPZSA-N 2 2 336.480 0.694 20 30 ECEDLP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268070789 839265777 /nfs/dbraw/zinc/26/57/77/839265777.db2.gz KUMRWHBHODESRY-AWEZNQCLSA-N 2 2 333.436 0.113 20 30 ECEDLP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268071183 839268021 /nfs/dbraw/zinc/26/80/21/839268021.db2.gz MFEAMQZNWZMNPQ-ZIAGYGMSSA-N 2 2 333.436 0.184 20 30 ECEDLP NC(=[NH+]OC[C@@H]1CNC(=O)O1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000495583393 255021490 /nfs/dbraw/zinc/02/14/90/255021490.db2.gz MRUDTWHVTVHICV-AWEZNQCLSA-N 2 2 334.376 0.264 20 30 ECEDLP Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000519823902 270007901 /nfs/dbraw/zinc/00/79/01/270007901.db2.gz KLHBXCOTENBNGD-ZDUSSCGKSA-N 2 2 331.420 0.310 20 30 ECEDLP Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000519823902 270007902 /nfs/dbraw/zinc/00/79/02/270007902.db2.gz KLHBXCOTENBNGD-ZDUSSCGKSA-N 2 2 331.420 0.310 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)NCCC)C2)CC1 ZINC000081669067 436355573 /nfs/dbraw/zinc/35/55/73/436355573.db2.gz MITWFLYVMNEOIB-INIZCTEOSA-N 2 2 334.464 0.002 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCCC)C2)CC1 ZINC000081669067 436355575 /nfs/dbraw/zinc/35/55/75/436355575.db2.gz MITWFLYVMNEOIB-INIZCTEOSA-N 2 2 334.464 0.002 20 30 ECEDLP COCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000329240886 437339695 /nfs/dbraw/zinc/33/96/95/437339695.db2.gz RIKXGXBGIQKAIQ-OWCLPIDISA-N 2 2 340.468 0.416 20 30 ECEDLP COCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000329240886 437339696 /nfs/dbraw/zinc/33/96/96/437339696.db2.gz RIKXGXBGIQKAIQ-OWCLPIDISA-N 2 2 340.468 0.416 20 30 ECEDLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000330501760 437530376 /nfs/dbraw/zinc/53/03/76/437530376.db2.gz AYCRBXFSEHRHFV-ZDUSSCGKSA-N 2 2 336.440 0.617 20 30 ECEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000350630300 438225776 /nfs/dbraw/zinc/22/57/76/438225776.db2.gz ZBNCTGCDVPPKFN-UHFFFAOYSA-N 2 2 336.480 0.673 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)c2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000369937701 438533043 /nfs/dbraw/zinc/53/30/43/438533043.db2.gz VKGWKELQEAAVBU-UHFFFAOYSA-N 2 2 347.463 0.596 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026200 438695286 /nfs/dbraw/zinc/69/52/86/438695286.db2.gz LCRQUJYFOIKYRN-ZDUSSCGKSA-N 2 2 347.419 0.613 20 30 ECEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026200 438695288 /nfs/dbraw/zinc/69/52/88/438695288.db2.gz LCRQUJYFOIKYRN-ZDUSSCGKSA-N 2 2 347.419 0.613 20 30 ECEDLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595951024 438895726 /nfs/dbraw/zinc/89/57/26/438895726.db2.gz VVDJSWSIHBZKTE-QZTJIDSGSA-N 2 2 343.475 0.940 20 30 ECEDLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595951024 438895729 /nfs/dbraw/zinc/89/57/29/438895729.db2.gz VVDJSWSIHBZKTE-QZTJIDSGSA-N 2 2 343.475 0.940 20 30 ECEDLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592150458 439166889 /nfs/dbraw/zinc/16/68/89/439166889.db2.gz CXRAQABRKQMKPF-AEFFLSMTSA-N 2 2 330.432 0.756 20 30 ECEDLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592150458 439166891 /nfs/dbraw/zinc/16/68/91/439166891.db2.gz CXRAQABRKQMKPF-AEFFLSMTSA-N 2 2 330.432 0.756 20 30 ECEDLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)N1CC#N ZINC000602855751 439145839 /nfs/dbraw/zinc/14/58/39/439145839.db2.gz ILFSRWSDWFSUCY-GASCZTMLSA-N 2 2 333.480 0.648 20 30 ECEDLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)N1CC#N ZINC000602855751 439145842 /nfs/dbraw/zinc/14/58/42/439145842.db2.gz ILFSRWSDWFSUCY-GASCZTMLSA-N 2 2 333.480 0.648 20 30 ECEDLP C[N@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)N1CC[NH+](C)CC1 ZINC000602989403 439177811 /nfs/dbraw/zinc/17/78/11/439177811.db2.gz NXNCXAVXBVMNQC-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)N1CC[NH+](C)CC1 ZINC000602989403 439177814 /nfs/dbraw/zinc/17/78/14/439177814.db2.gz NXNCXAVXBVMNQC-UHFFFAOYSA-N 2 2 343.431 0.593 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000490741396 439294244 /nfs/dbraw/zinc/29/42/44/439294244.db2.gz RBXAZPQCCJLHFH-GOSISDBHSA-N 2 2 332.492 0.572 20 30 ECEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000490741396 439294250 /nfs/dbraw/zinc/29/42/50/439294250.db2.gz RBXAZPQCCJLHFH-GOSISDBHSA-N 2 2 332.492 0.572 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)CCC)C2)CC1 ZINC000490780220 439298583 /nfs/dbraw/zinc/29/85/83/439298583.db2.gz GQTMRQATHPXRGB-KRWDZBQOSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)CCC)C2)CC1 ZINC000490780220 439298587 /nfs/dbraw/zinc/29/85/87/439298587.db2.gz GQTMRQATHPXRGB-KRWDZBQOSA-N 2 2 348.491 0.392 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000491209763 439350829 /nfs/dbraw/zinc/35/08/29/439350829.db2.gz LKILGBJZAXLHOF-IBGZPJMESA-N 2 2 340.471 0.628 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000491209763 439350834 /nfs/dbraw/zinc/35/08/34/439350834.db2.gz LKILGBJZAXLHOF-IBGZPJMESA-N 2 2 340.471 0.628 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)CC1 ZINC000491405252 439377166 /nfs/dbraw/zinc/37/71/66/439377166.db2.gz HRBDCYLDWSZVQZ-RCCFBDPRSA-N 2 2 346.475 0.000 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000491658206 439422638 /nfs/dbraw/zinc/42/26/38/439422638.db2.gz BAKHKHQXDJNPQY-HXUWFJFHSA-N 2 2 341.455 0.400 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000491658206 439422643 /nfs/dbraw/zinc/42/26/43/439422643.db2.gz BAKHKHQXDJNPQY-HXUWFJFHSA-N 2 2 341.455 0.400 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000491666958 439424183 /nfs/dbraw/zinc/42/41/83/439424183.db2.gz KKDDIJUZFGXXKC-KZNAEPCWSA-N 2 2 332.492 0.426 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000491666958 439424189 /nfs/dbraw/zinc/42/41/89/439424189.db2.gz KKDDIJUZFGXXKC-KZNAEPCWSA-N 2 2 332.492 0.426 20 30 ECEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584419024 439589042 /nfs/dbraw/zinc/58/90/42/439589042.db2.gz SMAVYCYEFSNUSZ-CVEARBPZSA-N 2 2 334.420 0.345 20 30 ECEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584419024 439589047 /nfs/dbraw/zinc/58/90/47/439589047.db2.gz SMAVYCYEFSNUSZ-CVEARBPZSA-N 2 2 334.420 0.345 20 30 ECEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584419024 439589052 /nfs/dbraw/zinc/58/90/52/439589052.db2.gz SMAVYCYEFSNUSZ-CVEARBPZSA-N 2 2 334.420 0.345 20 30 ECEDLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000584419024 439589056 /nfs/dbraw/zinc/58/90/56/439589056.db2.gz SMAVYCYEFSNUSZ-CVEARBPZSA-N 2 2 334.420 0.345 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000595126161 439658307 /nfs/dbraw/zinc/65/83/07/439658307.db2.gz VEZNASXMSZMTQW-UHFFFAOYSA-N 2 2 349.410 0.636 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000595126161 439658310 /nfs/dbraw/zinc/65/83/10/439658310.db2.gz VEZNASXMSZMTQW-UHFFFAOYSA-N 2 2 349.410 0.636 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccsc1C#N ZINC000594822631 439621582 /nfs/dbraw/zinc/62/15/82/439621582.db2.gz XIACOMXFSYXPLC-UHFFFAOYSA-N 2 2 330.479 0.782 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccsc1C#N ZINC000594822631 439621586 /nfs/dbraw/zinc/62/15/86/439621586.db2.gz XIACOMXFSYXPLC-UHFFFAOYSA-N 2 2 330.479 0.782 20 30 ECEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600719667 439694696 /nfs/dbraw/zinc/69/46/96/439694696.db2.gz DQZADPKKMVWGJR-IRXDYDNUSA-N 2 2 333.432 0.998 20 30 ECEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600719667 439694699 /nfs/dbraw/zinc/69/46/99/439694699.db2.gz DQZADPKKMVWGJR-IRXDYDNUSA-N 2 2 333.432 0.998 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+][C@H]2CCC[N@@H+](CCCO)C2)CCOCC1 ZINC000600741626 439697085 /nfs/dbraw/zinc/69/70/85/439697085.db2.gz GCJJQTJRSJTRSO-HOTGVXAUSA-N 2 2 325.453 0.494 20 30 ECEDLP N#CC1(C[C@H](O)C[NH2+][C@H]2CCC[N@H+](CCCO)C2)CCOCC1 ZINC000600741626 439697086 /nfs/dbraw/zinc/69/70/86/439697086.db2.gz GCJJQTJRSJTRSO-HOTGVXAUSA-N 2 2 325.453 0.494 20 30 ECEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCOc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000580183100 322918121 /nfs/dbraw/zinc/91/81/21/322918121.db2.gz SZIKFFQVLLXHRA-BFYDXBDKSA-N 2 2 333.432 0.997 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000730285993 578304721 /nfs/dbraw/zinc/30/47/21/578304721.db2.gz SYUQRWBNLSVRIL-INIZCTEOSA-N 2 2 329.448 0.552 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000730285993 578304722 /nfs/dbraw/zinc/30/47/22/578304722.db2.gz SYUQRWBNLSVRIL-INIZCTEOSA-N 2 2 329.448 0.552 20 30 ECEDLP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000838623895 586819194 /nfs/dbraw/zinc/81/91/94/586819194.db2.gz VSIFIRQDZODDAW-GOSISDBHSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000838623895 586819199 /nfs/dbraw/zinc/81/91/99/586819199.db2.gz VSIFIRQDZODDAW-GOSISDBHSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000838623895 586819200 /nfs/dbraw/zinc/81/92/00/586819200.db2.gz VSIFIRQDZODDAW-GOSISDBHSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000838623895 586819203 /nfs/dbraw/zinc/81/92/03/586819203.db2.gz VSIFIRQDZODDAW-GOSISDBHSA-N 3 2 349.523 0.751 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000817163209 587336091 /nfs/dbraw/zinc/33/60/91/587336091.db2.gz FGVWSRPFTZTECF-INIZCTEOSA-N 2 2 334.464 0.192 20 30 ECEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000818986171 587463382 /nfs/dbraw/zinc/46/33/82/587463382.db2.gz HHTOWMBNCNDCCR-YQVWRLOYSA-N 2 2 345.443 0.945 20 30 ECEDLP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000818986171 587463384 /nfs/dbraw/zinc/46/33/84/587463384.db2.gz HHTOWMBNCNDCCR-YQVWRLOYSA-N 2 2 345.443 0.945 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)CC1 ZINC000857300251 589692933 /nfs/dbraw/zinc/69/29/33/589692933.db2.gz QHPDCIOBZAQQQQ-UHFFFAOYSA-N 2 2 334.508 0.864 20 30 ECEDLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000872217645 590105487 /nfs/dbraw/zinc/10/54/87/590105487.db2.gz BWLOVYHMJGYCBT-JKSUJKDBSA-N 2 2 333.432 0.733 20 30 ECEDLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000872217645 590105489 /nfs/dbraw/zinc/10/54/89/590105489.db2.gz BWLOVYHMJGYCBT-JKSUJKDBSA-N 2 2 333.432 0.733 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC000879580701 590325123 /nfs/dbraw/zinc/32/51/23/590325123.db2.gz JIIRZWUHEZGNSU-SQNIBIBYSA-N 2 2 347.507 0.705 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CC1 ZINC000879580701 590325124 /nfs/dbraw/zinc/32/51/24/590325124.db2.gz JIIRZWUHEZGNSU-SQNIBIBYSA-N 2 2 347.507 0.705 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000879580701 590325125 /nfs/dbraw/zinc/32/51/25/590325125.db2.gz JIIRZWUHEZGNSU-SQNIBIBYSA-N 2 2 347.507 0.705 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000879580701 590325126 /nfs/dbraw/zinc/32/51/26/590325126.db2.gz JIIRZWUHEZGNSU-SQNIBIBYSA-N 2 2 347.507 0.705 20 30 ECEDLP COCC[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876715715 590401780 /nfs/dbraw/zinc/40/17/80/590401780.db2.gz PYHONAFJSUMUEW-KRWDZBQOSA-N 2 2 328.416 0.536 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]([C@H]2CCCO2)C2(CO)CCC2)CC1 ZINC000878874376 590548971 /nfs/dbraw/zinc/54/89/71/590548971.db2.gz WFUZBYHOSWFANX-AEFFLSMTSA-N 2 2 349.475 0.064 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000884046768 590716454 /nfs/dbraw/zinc/71/64/54/590716454.db2.gz RNHAISADTGFNEK-IAGOWNOFSA-N 2 2 336.480 0.740 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1 ZINC000884046768 590716457 /nfs/dbraw/zinc/71/64/57/590716457.db2.gz RNHAISADTGFNEK-IAGOWNOFSA-N 2 2 336.480 0.740 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163349 590759524 /nfs/dbraw/zinc/75/95/24/590759524.db2.gz DHPSLQYKYMEPEU-IAGOWNOFSA-N 3 2 347.507 0.552 20 30 ECEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163349 590759526 /nfs/dbraw/zinc/75/95/26/590759526.db2.gz DHPSLQYKYMEPEU-IAGOWNOFSA-N 3 2 347.507 0.552 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163349 590759531 /nfs/dbraw/zinc/75/95/31/590759531.db2.gz DHPSLQYKYMEPEU-IAGOWNOFSA-N 3 2 347.507 0.552 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC000884163349 590759533 /nfs/dbraw/zinc/75/95/33/590759533.db2.gz DHPSLQYKYMEPEU-IAGOWNOFSA-N 3 2 347.507 0.552 20 30 ECEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886043333 590789085 /nfs/dbraw/zinc/78/90/85/590789085.db2.gz AFGARMRKSCZJFM-HZPDHXFCSA-N 2 2 334.464 0.670 20 30 ECEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886043333 590789088 /nfs/dbraw/zinc/78/90/88/590789088.db2.gz AFGARMRKSCZJFM-HZPDHXFCSA-N 2 2 334.464 0.670 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000884328620 590806560 /nfs/dbraw/zinc/80/65/60/590806560.db2.gz UQGJTGQKAGWVJV-CWRNSKLLSA-N 2 2 335.448 0.908 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000884328620 590806565 /nfs/dbraw/zinc/80/65/65/590806565.db2.gz UQGJTGQKAGWVJV-CWRNSKLLSA-N 2 2 335.448 0.908 20 30 ECEDLP C#CC[NH+]1CCC(NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)CC1 ZINC000928653994 611707081 /nfs/dbraw/zinc/70/70/81/611707081.db2.gz JHKMLNFHCMUFGZ-UHFFFAOYSA-N 2 2 340.431 0.862 20 30 ECEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC[C@H](CC(N)=O)C1 ZINC000153682383 609919239 /nfs/dbraw/zinc/91/92/39/609919239.db2.gz GJUKUNILYTZIDD-CQSZACIVSA-N 2 2 346.479 0.925 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000941602052 610402494 /nfs/dbraw/zinc/40/24/94/610402494.db2.gz NBUMWWJATNIYKJ-CVEARBPZSA-N 2 2 343.431 0.006 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000941602052 610402497 /nfs/dbraw/zinc/40/24/97/610402497.db2.gz NBUMWWJATNIYKJ-CVEARBPZSA-N 2 2 343.431 0.006 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000941627383 610415940 /nfs/dbraw/zinc/41/59/40/610415940.db2.gz FXOHEJHMAXKGKE-UHFFFAOYSA-N 2 2 346.519 0.959 20 30 ECEDLP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000941671017 610444689 /nfs/dbraw/zinc/44/46/89/610444689.db2.gz DDGQYCMSQYJTRW-KRWDZBQOSA-N 2 2 336.480 0.112 20 30 ECEDLP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000941671017 610444691 /nfs/dbraw/zinc/44/46/91/610444691.db2.gz DDGQYCMSQYJTRW-KRWDZBQOSA-N 2 2 336.480 0.112 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408648 610722835 /nfs/dbraw/zinc/72/28/35/610722835.db2.gz OPIVEGNMORXXTA-DLBZAZTESA-N 2 2 330.476 0.322 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408648 610722836 /nfs/dbraw/zinc/72/28/36/610722836.db2.gz OPIVEGNMORXXTA-DLBZAZTESA-N 2 2 330.476 0.322 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH+]3CCN(C(C)=O)CC3)C2)CC1 ZINC000956569015 612913922 /nfs/dbraw/zinc/91/39/22/612913922.db2.gz BIIJJSMBKRMSBP-SFHVURJKSA-N 2 2 346.475 0.097 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001078037258 782191803 /nfs/dbraw/zinc/19/18/03/782191803.db2.gz NJSKKKWZJRNQGA-AWEZNQCLSA-N 2 2 345.447 0.308 20 30 ECEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971996553 735481394 /nfs/dbraw/zinc/48/13/94/735481394.db2.gz FEUVONZQFOKTHY-ZACQAIPSSA-N 2 2 337.464 0.585 20 30 ECEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000971996553 735481398 /nfs/dbraw/zinc/48/13/98/735481398.db2.gz FEUVONZQFOKTHY-ZACQAIPSSA-N 2 2 337.464 0.585 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000969425828 731863981 /nfs/dbraw/zinc/86/39/81/731863981.db2.gz IQQWIPJSSTZVFG-ZACQAIPSSA-N 2 2 337.464 0.633 20 30 ECEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083194112 732655504 /nfs/dbraw/zinc/65/55/04/732655504.db2.gz WZCKPKCUXHSNNW-RBUKOAKNSA-N 2 2 341.455 0.949 20 30 ECEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083194112 732655505 /nfs/dbraw/zinc/65/55/05/732655505.db2.gz WZCKPKCUXHSNNW-RBUKOAKNSA-N 2 2 341.455 0.949 20 30 ECEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000970213728 733203862 /nfs/dbraw/zinc/20/38/62/733203862.db2.gz OPFUTCZJTXANKF-YJBOKZPZSA-N 2 2 333.476 0.947 20 30 ECEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000970213728 733203863 /nfs/dbraw/zinc/20/38/63/733203863.db2.gz OPFUTCZJTXANKF-YJBOKZPZSA-N 2 2 333.476 0.947 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CC(=O)NC3CC3)C2)CC1 ZINC000970925406 734093252 /nfs/dbraw/zinc/09/32/52/734093252.db2.gz PZKKXTCCJYNGBS-CQSZACIVSA-N 2 2 346.475 0.047 20 30 ECEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000972438702 736195837 /nfs/dbraw/zinc/19/58/37/736195837.db2.gz SYJPZFNYCXVJNJ-LPHOPBHVSA-N 2 2 342.443 0.772 20 30 ECEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000972438702 736195840 /nfs/dbraw/zinc/19/58/40/736195840.db2.gz SYJPZFNYCXVJNJ-LPHOPBHVSA-N 2 2 342.443 0.772 20 30 ECEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972679384 737362892 /nfs/dbraw/zinc/36/28/92/737362892.db2.gz YRZRRISOYPUAPO-MJGOQNOKSA-N 2 2 349.475 0.281 20 30 ECEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972679384 737362897 /nfs/dbraw/zinc/36/28/97/737362897.db2.gz YRZRRISOYPUAPO-MJGOQNOKSA-N 2 2 349.475 0.281 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCn1cccn1 ZINC001024488337 738016034 /nfs/dbraw/zinc/01/60/34/738016034.db2.gz XKCCDRVAVQIVBY-MSOLQXFVSA-N 2 2 343.475 0.951 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCn1cccn1 ZINC001024488337 738016038 /nfs/dbraw/zinc/01/60/38/738016038.db2.gz XKCCDRVAVQIVBY-MSOLQXFVSA-N 2 2 343.475 0.951 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCn1cccn1 ZINC001024488337 738016041 /nfs/dbraw/zinc/01/60/41/738016041.db2.gz XKCCDRVAVQIVBY-MSOLQXFVSA-N 2 2 343.475 0.951 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCn1cccn1 ZINC001024488337 738016045 /nfs/dbraw/zinc/01/60/45/738016045.db2.gz XKCCDRVAVQIVBY-MSOLQXFVSA-N 2 2 343.475 0.951 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000973410384 739223763 /nfs/dbraw/zinc/22/37/63/739223763.db2.gz JLLHQHKGIPLZTH-JYJNAYRXSA-N 2 2 343.431 0.053 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000973410384 739223768 /nfs/dbraw/zinc/22/37/68/739223768.db2.gz JLLHQHKGIPLZTH-JYJNAYRXSA-N 2 2 343.431 0.053 20 30 ECEDLP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001026532764 741520919 /nfs/dbraw/zinc/52/09/19/741520919.db2.gz YTCKMRWZUBUXPU-HIEASXQVSA-N 2 2 349.475 0.516 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)nn1 ZINC001105240563 741533414 /nfs/dbraw/zinc/53/34/14/741533414.db2.gz RRMJEKRHZWCBJD-GOEBONIOSA-N 2 2 342.447 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)nn1 ZINC001105240563 741533415 /nfs/dbraw/zinc/53/34/15/741533415.db2.gz RRMJEKRHZWCBJD-GOEBONIOSA-N 2 2 342.447 0.259 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC001105268271 741610067 /nfs/dbraw/zinc/61/00/67/741610067.db2.gz HMRYBRLGUUFYIN-INIZCTEOSA-N 2 2 330.436 0.259 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)nn1 ZINC001105268271 741610069 /nfs/dbraw/zinc/61/00/69/741610069.db2.gz HMRYBRLGUUFYIN-INIZCTEOSA-N 2 2 330.436 0.259 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)C2)nn1 ZINC001105312496 741729891 /nfs/dbraw/zinc/72/98/91/741729891.db2.gz OTWXBZBPBBJXOS-HNNXBMFYSA-N 2 2 344.463 0.506 20 30 ECEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)nn1 ZINC001105312496 741729892 /nfs/dbraw/zinc/72/98/92/741729892.db2.gz OTWXBZBPBBJXOS-HNNXBMFYSA-N 2 2 344.463 0.506 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001027141060 742729192 /nfs/dbraw/zinc/72/91/92/742729192.db2.gz UMFPIYHUXCVJHU-ZIAGYGMSSA-N 2 2 331.420 0.177 20 30 ECEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261951119 743092858 /nfs/dbraw/zinc/09/28/58/743092858.db2.gz HLGUHZZPTXSHPH-ZDUSSCGKSA-N 2 2 330.498 0.555 20 30 ECEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261951119 743092865 /nfs/dbraw/zinc/09/28/65/743092865.db2.gz HLGUHZZPTXSHPH-ZDUSSCGKSA-N 2 2 330.498 0.555 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3cnn(C)n3)C2)CC1 ZINC001029002880 743155508 /nfs/dbraw/zinc/15/55/08/743155508.db2.gz DCNHFTKXMBDIJY-HNNXBMFYSA-N 2 2 344.463 0.098 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](Cc3cnn(C)n3)C2)CC1 ZINC001029002880 743155509 /nfs/dbraw/zinc/15/55/09/743155509.db2.gz DCNHFTKXMBDIJY-HNNXBMFYSA-N 2 2 344.463 0.098 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C(F)(F)F ZINC000998305695 744110386 /nfs/dbraw/zinc/11/03/86/744110386.db2.gz RSBQTOFVQDNCLF-CHWSQXEVSA-N 2 2 328.338 0.965 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)N2CCC2)C1 ZINC001027446272 744484235 /nfs/dbraw/zinc/48/42/35/744484235.db2.gz DVDSGQMRFUEEPC-SJORKVTESA-N 2 2 346.475 0.239 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)N2CCC2)C1 ZINC001027446272 744484238 /nfs/dbraw/zinc/48/42/38/744484238.db2.gz DVDSGQMRFUEEPC-SJORKVTESA-N 2 2 346.475 0.239 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(=O)N2CCC2)C1 ZINC001027446272 744484241 /nfs/dbraw/zinc/48/42/41/744484241.db2.gz DVDSGQMRFUEEPC-SJORKVTESA-N 2 2 346.475 0.239 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(=O)N2CCC2)C1 ZINC001027446272 744484244 /nfs/dbraw/zinc/48/42/44/744484244.db2.gz DVDSGQMRFUEEPC-SJORKVTESA-N 2 2 346.475 0.239 20 30 ECEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000999770279 744893860 /nfs/dbraw/zinc/89/38/60/744893860.db2.gz IYRVDLQADMIOKY-BBWFWOEESA-N 2 2 337.464 0.633 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001001493368 746431399 /nfs/dbraw/zinc/43/13/99/746431399.db2.gz YWERNUNEPPMJCY-SFHVURJKSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC001001493368 746431401 /nfs/dbraw/zinc/43/14/01/746431401.db2.gz YWERNUNEPPMJCY-SFHVURJKSA-N 2 2 343.475 0.846 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)Cn3cc[nH+]c3C)CC2)C1=O ZINC001004150720 749264695 /nfs/dbraw/zinc/26/46/95/749264695.db2.gz BCNOUSGXSHDYQU-MRXNPFEDSA-N 2 2 345.447 0.559 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001098740753 749551950 /nfs/dbraw/zinc/55/19/50/749551950.db2.gz UVMVDVRHLCCWBI-HNNXBMFYSA-N 2 2 329.408 0.683 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCN1CCCC1=O ZINC001027939225 749643815 /nfs/dbraw/zinc/64/38/15/749643815.db2.gz KLZYJRNNDDXPAE-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCN1CCCC1=O ZINC001027939225 749643818 /nfs/dbraw/zinc/64/38/18/749643818.db2.gz KLZYJRNNDDXPAE-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCN1CCCC1=O ZINC001027939225 749643823 /nfs/dbraw/zinc/64/38/23/749643823.db2.gz KLZYJRNNDDXPAE-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCN1CCCC1=O ZINC001027939225 749643828 /nfs/dbraw/zinc/64/38/28/749643828.db2.gz KLZYJRNNDDXPAE-SJORKVTESA-N 2 2 346.475 0.287 20 30 ECEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCCC[NH+](C)C)C2)nn1 ZINC001105362678 752311716 /nfs/dbraw/zinc/31/17/16/752311716.db2.gz HRLWOPJCZZCNGL-UHFFFAOYSA-N 2 2 332.452 0.506 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3[nH]c[nH+]c3C)C2)nn1 ZINC001105366564 752464340 /nfs/dbraw/zinc/46/43/40/752464340.db2.gz XHYXWJUXSCIHNG-UHFFFAOYSA-N 2 2 329.408 0.601 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3nncs3)C[C@H]2C)CC1 ZINC000989829556 754483440 /nfs/dbraw/zinc/48/34/40/754483440.db2.gz TUNUJLVQPXQFKN-HIFRSBDPSA-N 2 2 347.488 0.962 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3csnn3)C[C@@H]2C)CC1 ZINC000989829275 754498355 /nfs/dbraw/zinc/49/83/55/754498355.db2.gz QPPCTWIOXDYLDF-DZGCQCFKSA-N 2 2 347.488 0.962 20 30 ECEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001098656183 755673610 /nfs/dbraw/zinc/67/36/10/755673610.db2.gz QJLKEJVVHAFVDN-OAHLLOKOSA-N 2 2 330.432 0.678 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076633264 756762872 /nfs/dbraw/zinc/76/28/72/756762872.db2.gz GGJNKJVYQXCPEK-ARFHVFGLSA-N 2 2 343.431 0.203 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4)[C@@H]3C2)C1=O ZINC001076633264 756762874 /nfs/dbraw/zinc/76/28/74/756762874.db2.gz GGJNKJVYQXCPEK-ARFHVFGLSA-N 2 2 343.431 0.203 20 30 ECEDLP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CC3CCC3)C[C@H]2C1 ZINC001048960722 757522704 /nfs/dbraw/zinc/52/27/04/757522704.db2.gz KCJOXKFCZCJTSC-OTWHNJEPSA-N 2 2 345.487 0.901 20 30 ECEDLP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@H+]3CC3CCC3)C[C@H]2C1 ZINC001048960722 757522708 /nfs/dbraw/zinc/52/27/08/757522708.db2.gz KCJOXKFCZCJTSC-OTWHNJEPSA-N 2 2 345.487 0.901 20 30 ECEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@H]2C1 ZINC001048960722 757522714 /nfs/dbraw/zinc/52/27/14/757522714.db2.gz KCJOXKFCZCJTSC-OTWHNJEPSA-N 2 2 345.487 0.901 20 30 ECEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3CC3CCC3)C[C@H]2C1 ZINC001048960722 757522721 /nfs/dbraw/zinc/52/27/21/757522721.db2.gz KCJOXKFCZCJTSC-OTWHNJEPSA-N 2 2 345.487 0.901 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001076917841 757589893 /nfs/dbraw/zinc/58/98/93/757589893.db2.gz YLRGUJLLAXDIFF-AWEZNQCLSA-N 2 2 345.447 0.308 20 30 ECEDLP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003339 757662057 /nfs/dbraw/zinc/66/20/57/757662057.db2.gz IPOQSABDQPVVIW-SOLBZPMBSA-N 2 2 331.460 0.653 20 30 ECEDLP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001049003339 757662062 /nfs/dbraw/zinc/66/20/62/757662062.db2.gz IPOQSABDQPVVIW-SOLBZPMBSA-N 2 2 331.460 0.653 20 30 ECEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003339 757662067 /nfs/dbraw/zinc/66/20/67/757662067.db2.gz IPOQSABDQPVVIW-SOLBZPMBSA-N 2 2 331.460 0.653 20 30 ECEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001049003339 757662073 /nfs/dbraw/zinc/66/20/73/757662073.db2.gz IPOQSABDQPVVIW-SOLBZPMBSA-N 2 2 331.460 0.653 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001049083406 757915365 /nfs/dbraw/zinc/91/53/65/757915365.db2.gz BXDFZDZNKVEJLF-IJEWVQPXSA-N 2 2 343.431 0.129 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH+]c[nH]4)C[C@H]3C2)C1=O ZINC001049083406 757915370 /nfs/dbraw/zinc/91/53/70/757915370.db2.gz BXDFZDZNKVEJLF-IJEWVQPXSA-N 2 2 343.431 0.129 20 30 ECEDLP C=CCCC[NH+]1CC(n2cc(CNC(=O)Cn3cc[nH+]c3)nn2)C1 ZINC001107241282 758043825 /nfs/dbraw/zinc/04/38/25/758043825.db2.gz QRODZJCFIMLXNJ-UHFFFAOYSA-N 2 2 329.408 0.614 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001051659745 762615896 /nfs/dbraw/zinc/61/58/96/762615896.db2.gz AFTQLNXJTFNXLG-HOTGVXAUSA-N 2 2 332.404 0.089 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001051659745 762615897 /nfs/dbraw/zinc/61/58/97/762615897.db2.gz AFTQLNXJTFNXLG-HOTGVXAUSA-N 2 2 332.404 0.089 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001022220897 758441787 /nfs/dbraw/zinc/44/17/87/758441787.db2.gz TWTVCEJAVVYIOC-ZNMIVQPWSA-N 2 2 342.447 0.517 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC001022220897 758441791 /nfs/dbraw/zinc/44/17/91/758441791.db2.gz TWTVCEJAVVYIOC-ZNMIVQPWSA-N 2 2 342.447 0.517 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@H]2CN(C(=O)Cn3cc[nH+]c3)CC2(C)C)C1=O ZINC000996718324 758603546 /nfs/dbraw/zinc/60/35/46/758603546.db2.gz XRGAHYDTYWHQCT-GJZGRUSLSA-N 2 2 345.447 0.497 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001050922074 761148484 /nfs/dbraw/zinc/14/84/84/761148484.db2.gz XXBGPIWNCVEEOF-INIZCTEOSA-N 2 2 349.479 0.842 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001050922074 761148490 /nfs/dbraw/zinc/14/84/90/761148490.db2.gz XXBGPIWNCVEEOF-INIZCTEOSA-N 2 2 349.479 0.842 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051030404 761366579 /nfs/dbraw/zinc/36/65/79/761366579.db2.gz YZUGOKARPUUNAE-VZDIDWBNSA-N 2 2 349.475 0.633 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051030404 761366588 /nfs/dbraw/zinc/36/65/88/761366588.db2.gz YZUGOKARPUUNAE-VZDIDWBNSA-N 2 2 349.475 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051030404 761366597 /nfs/dbraw/zinc/36/65/97/761366597.db2.gz YZUGOKARPUUNAE-VZDIDWBNSA-N 2 2 349.475 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051030404 761366604 /nfs/dbraw/zinc/36/66/04/761366604.db2.gz YZUGOKARPUUNAE-VZDIDWBNSA-N 2 2 349.475 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001051249464 761761908 /nfs/dbraw/zinc/76/19/08/761761908.db2.gz FVTCRNQMXFLBBI-JKSUJKDBSA-N 2 2 325.453 0.490 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001051249464 761761913 /nfs/dbraw/zinc/76/19/13/761761913.db2.gz FVTCRNQMXFLBBI-JKSUJKDBSA-N 2 2 325.453 0.490 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001051249464 761761917 /nfs/dbraw/zinc/76/19/17/761761917.db2.gz FVTCRNQMXFLBBI-JKSUJKDBSA-N 2 2 325.453 0.490 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001051249464 761761919 /nfs/dbraw/zinc/76/19/19/761761919.db2.gz FVTCRNQMXFLBBI-JKSUJKDBSA-N 2 2 325.453 0.490 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001014769751 763125382 /nfs/dbraw/zinc/12/53/82/763125382.db2.gz MRESAGQBPNVNMI-IRXDYDNUSA-N 2 2 342.443 0.173 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccn(C)c(=O)c2)C1 ZINC001014769751 763125394 /nfs/dbraw/zinc/12/53/94/763125394.db2.gz MRESAGQBPNVNMI-IRXDYDNUSA-N 2 2 342.443 0.173 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001014769751 763125401 /nfs/dbraw/zinc/12/54/01/763125401.db2.gz MRESAGQBPNVNMI-IRXDYDNUSA-N 2 2 342.443 0.173 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001014769751 763125406 /nfs/dbraw/zinc/12/54/06/763125406.db2.gz MRESAGQBPNVNMI-IRXDYDNUSA-N 2 2 342.443 0.173 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccn(C)n3)C2)CC1 ZINC001046850387 763229675 /nfs/dbraw/zinc/22/96/75/763229675.db2.gz UZMCOPZZZYKVFL-LJQANCHMSA-N 2 2 343.475 0.846 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3ccn(C)n3)C2)CC1 ZINC001046850387 763229685 /nfs/dbraw/zinc/22/96/85/763229685.db2.gz UZMCOPZZZYKVFL-LJQANCHMSA-N 2 2 343.475 0.846 20 30 ECEDLP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046995878 763536000 /nfs/dbraw/zinc/53/60/00/763536000.db2.gz MDAYJCZYQPPJME-KBPBESRZSA-N 2 2 331.407 0.967 20 30 ECEDLP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046995878 763536016 /nfs/dbraw/zinc/53/60/16/763536016.db2.gz MDAYJCZYQPPJME-KBPBESRZSA-N 2 2 331.407 0.967 20 30 ECEDLP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046995878 763536022 /nfs/dbraw/zinc/53/60/22/763536022.db2.gz MDAYJCZYQPPJME-KBPBESRZSA-N 2 2 331.407 0.967 20 30 ECEDLP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046995878 763536030 /nfs/dbraw/zinc/53/60/30/763536030.db2.gz MDAYJCZYQPPJME-KBPBESRZSA-N 2 2 331.407 0.967 20 30 ECEDLP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001052001754 763559887 /nfs/dbraw/zinc/55/98/87/763559887.db2.gz XYHVSLQPPYVHJP-SJORKVTESA-N 2 2 336.480 0.112 20 30 ECEDLP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001052001754 763559893 /nfs/dbraw/zinc/55/98/93/763559893.db2.gz XYHVSLQPPYVHJP-SJORKVTESA-N 2 2 336.480 0.112 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001052035238 763640255 /nfs/dbraw/zinc/64/02/55/763640255.db2.gz FGYQJDAKWLSISG-ZWKOTPCHSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001052035238 763640258 /nfs/dbraw/zinc/64/02/58/763640258.db2.gz FGYQJDAKWLSISG-ZWKOTPCHSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)CC1 ZINC001052035238 763640261 /nfs/dbraw/zinc/64/02/61/763640261.db2.gz FGYQJDAKWLSISG-ZWKOTPCHSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001052035238 763640262 /nfs/dbraw/zinc/64/02/62/763640262.db2.gz FGYQJDAKWLSISG-ZWKOTPCHSA-N 2 2 332.492 0.713 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC(=C)C)CC2)C1 ZINC001052037205 763653391 /nfs/dbraw/zinc/65/33/91/763653391.db2.gz HIFXCVQRSFUVBB-MOPGFXCFSA-N 2 2 344.503 0.879 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CC(=C)C)CC2)C1 ZINC001052037205 763653396 /nfs/dbraw/zinc/65/33/96/763653396.db2.gz HIFXCVQRSFUVBB-MOPGFXCFSA-N 2 2 344.503 0.879 20 30 ECEDLP N#CCN1CC[NH+]([C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001052041296 763666252 /nfs/dbraw/zinc/66/62/52/763666252.db2.gz YFFXNLVBYJUWSF-QGZVFWFLSA-N 2 2 345.491 0.604 20 30 ECEDLP N#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC001052056862 763728760 /nfs/dbraw/zinc/72/87/60/763728760.db2.gz IBPXCVZNCXMAFJ-ZWKOTPCHSA-N 2 2 345.491 0.603 20 30 ECEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052075972 763783735 /nfs/dbraw/zinc/78/37/35/763783735.db2.gz DSGPRTQQHIZVTR-ZWKOTPCHSA-N 2 2 334.508 0.814 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107970 763888661 /nfs/dbraw/zinc/88/86/61/763888661.db2.gz JFNDZXBRYMEJSN-QZTJIDSGSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107970 763888666 /nfs/dbraw/zinc/88/86/66/763888666.db2.gz JFNDZXBRYMEJSN-QZTJIDSGSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107938 763888831 /nfs/dbraw/zinc/88/88/31/763888831.db2.gz IAOFESISDZHWLF-ZWKOTPCHSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052107938 763888839 /nfs/dbraw/zinc/88/88/39/763888839.db2.gz IAOFESISDZHWLF-ZWKOTPCHSA-N 2 2 332.492 0.570 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001047415222 764273283 /nfs/dbraw/zinc/27/32/83/764273283.db2.gz NXPZIAWXCIHTNG-XSLAGTTESA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001047415222 764273291 /nfs/dbraw/zinc/27/32/91/764273291.db2.gz NXPZIAWXCIHTNG-XSLAGTTESA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001047415222 764273297 /nfs/dbraw/zinc/27/32/97/764273297.db2.gz NXPZIAWXCIHTNG-XSLAGTTESA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC[C@@H]2CCCO2)C[C@@H]1O ZINC001047415222 764273305 /nfs/dbraw/zinc/27/33/05/764273305.db2.gz NXPZIAWXCIHTNG-XSLAGTTESA-N 2 2 349.475 0.157 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001047415355 764274850 /nfs/dbraw/zinc/27/48/50/764274850.db2.gz VLDXHKHFYZILRY-OWSLCNJRSA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001047415355 764274856 /nfs/dbraw/zinc/27/48/56/764274856.db2.gz VLDXHKHFYZILRY-OWSLCNJRSA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001047415355 764274863 /nfs/dbraw/zinc/27/48/63/764274863.db2.gz VLDXHKHFYZILRY-OWSLCNJRSA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@H]2CCCOC2)C[C@@H]1O ZINC001047415355 764274871 /nfs/dbraw/zinc/27/48/71/764274871.db2.gz VLDXHKHFYZILRY-OWSLCNJRSA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001047415414 764275406 /nfs/dbraw/zinc/27/54/06/764275406.db2.gz WUPXSPOXCQAFCT-OWSLCNJRSA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001047415414 764275410 /nfs/dbraw/zinc/27/54/10/764275410.db2.gz WUPXSPOXCQAFCT-OWSLCNJRSA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001047415414 764275414 /nfs/dbraw/zinc/27/54/14/764275414.db2.gz WUPXSPOXCQAFCT-OWSLCNJRSA-N 2 2 349.475 0.014 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC[C@@H]2CCOC2)C[C@@H]1O ZINC001047415414 764275418 /nfs/dbraw/zinc/27/54/18/764275418.db2.gz WUPXSPOXCQAFCT-OWSLCNJRSA-N 2 2 349.475 0.014 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001047532847 764616296 /nfs/dbraw/zinc/61/62/96/764616296.db2.gz PJHCZAZZDRLHMT-JHNDHUHGSA-N 2 2 332.448 0.993 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001047532847 764616303 /nfs/dbraw/zinc/61/63/03/764616303.db2.gz PJHCZAZZDRLHMT-JHNDHUHGSA-N 2 2 332.448 0.993 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C2)CC1 ZINC001016338055 766145632 /nfs/dbraw/zinc/14/56/32/766145632.db2.gz VWPMPDGWJAKREW-QGZVFWFLSA-N 2 2 343.475 0.764 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cc(C)n(C)n3)C2)CC1 ZINC001016338055 766145637 /nfs/dbraw/zinc/14/56/37/766145637.db2.gz VWPMPDGWJAKREW-QGZVFWFLSA-N 2 2 343.475 0.764 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC2(C[NH+](CC3CC3)C2)O1 ZINC001053610689 766430632 /nfs/dbraw/zinc/43/06/32/766430632.db2.gz XRZPHDYNWHVBPM-SJORKVTESA-N 2 2 331.460 0.844 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC2(C[NH+](CC3CC3)C2)O1 ZINC001053610689 766430641 /nfs/dbraw/zinc/43/06/41/766430641.db2.gz XRZPHDYNWHVBPM-SJORKVTESA-N 2 2 331.460 0.844 20 30 ECEDLP COCC#CC[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127548137 766438590 /nfs/dbraw/zinc/43/85/90/766438590.db2.gz XJCPZDRRCZNPLZ-HZPDHXFCSA-N 2 2 330.432 0.510 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC3(C[NH+](CC=C)C3)O2)CC1 ZINC001053700403 766619725 /nfs/dbraw/zinc/61/97/25/766619725.db2.gz UBNOWAQFBRTKBV-QGZVFWFLSA-N 2 2 331.460 0.867 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001046036527 766727427 /nfs/dbraw/zinc/72/74/27/766727427.db2.gz ASQUTEKRYCZRCV-BZUAXINKSA-N 2 2 329.448 0.918 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)C1 ZINC001046036527 766727428 /nfs/dbraw/zinc/72/74/28/766727428.db2.gz ASQUTEKRYCZRCV-BZUAXINKSA-N 2 2 329.448 0.918 20 30 ECEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046068739 766864563 /nfs/dbraw/zinc/86/45/63/766864563.db2.gz RWNIUCXJERSVFZ-DOTOQJQBSA-N 2 2 331.464 0.993 20 30 ECEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046068739 766864573 /nfs/dbraw/zinc/86/45/73/766864573.db2.gz RWNIUCXJERSVFZ-DOTOQJQBSA-N 2 2 331.464 0.993 20 30 ECEDLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046070508 766874138 /nfs/dbraw/zinc/87/41/38/766874138.db2.gz OOMLIEOQEGDWIS-ROUUACIJSA-N 2 2 347.507 0.991 20 30 ECEDLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046070508 766874152 /nfs/dbraw/zinc/87/41/52/766874152.db2.gz OOMLIEOQEGDWIS-ROUUACIJSA-N 2 2 347.507 0.991 20 30 ECEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001046075793 766899016 /nfs/dbraw/zinc/89/90/16/766899016.db2.gz FAVABAFQUOPMNQ-HNNXBMFYSA-N 2 2 329.448 0.539 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC2)C1 ZINC001046075793 766899026 /nfs/dbraw/zinc/89/90/26/766899026.db2.gz FAVABAFQUOPMNQ-HNNXBMFYSA-N 2 2 329.448 0.539 20 30 ECEDLP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001054043786 767642828 /nfs/dbraw/zinc/64/28/28/767642828.db2.gz KEJJETMAUDQVGZ-AYOQOUSVSA-N 2 2 341.455 0.882 20 30 ECEDLP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001054043786 767642832 /nfs/dbraw/zinc/64/28/32/767642832.db2.gz KEJJETMAUDQVGZ-AYOQOUSVSA-N 2 2 341.455 0.882 20 30 ECEDLP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001054043786 767642836 /nfs/dbraw/zinc/64/28/36/767642836.db2.gz KEJJETMAUDQVGZ-AYOQOUSVSA-N 2 2 341.455 0.882 20 30 ECEDLP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001054043786 767642840 /nfs/dbraw/zinc/64/28/40/767642840.db2.gz KEJJETMAUDQVGZ-AYOQOUSVSA-N 2 2 341.455 0.882 20 30 ECEDLP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001098789957 768725530 /nfs/dbraw/zinc/72/55/30/768725530.db2.gz LKCKLQYULQHWDT-OAHLLOKOSA-N 2 2 327.392 0.061 20 30 ECEDLP C=CCCCC(=O)NC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001055595902 769212429 /nfs/dbraw/zinc/21/24/29/769212429.db2.gz JQGLRVPHCHIJLL-UHFFFAOYSA-N 2 2 347.463 0.936 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC001018985956 770483287 /nfs/dbraw/zinc/48/32/87/770483287.db2.gz NVUBBMQLFOHZCX-BBRMVZONSA-N 2 2 349.866 0.862 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nn(C)cc2Cl)C1 ZINC001018985956 770483295 /nfs/dbraw/zinc/48/32/95/770483295.db2.gz NVUBBMQLFOHZCX-BBRMVZONSA-N 2 2 349.866 0.862 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001031594261 771362001 /nfs/dbraw/zinc/36/20/01/771362001.db2.gz XRJBUQBIMBLEOI-KRWDZBQOSA-N 2 2 328.416 0.437 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001031594261 771362006 /nfs/dbraw/zinc/36/20/06/771362006.db2.gz XRJBUQBIMBLEOI-KRWDZBQOSA-N 2 2 328.416 0.437 20 30 ECEDLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001020046230 772108180 /nfs/dbraw/zinc/10/81/80/772108180.db2.gz YIDZLVGOFJSPHB-BRWVUGGUSA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001020046230 772108181 /nfs/dbraw/zinc/10/81/81/772108181.db2.gz YIDZLVGOFJSPHB-BRWVUGGUSA-N 2 2 346.406 0.765 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2C#N)C1 ZINC001044972595 774786735 /nfs/dbraw/zinc/78/67/35/774786735.db2.gz WPBHQBDAZOPGOP-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2C#N)C1 ZINC001044972595 774786738 /nfs/dbraw/zinc/78/67/38/774786738.db2.gz WPBHQBDAZOPGOP-ROUUACIJSA-N 2 2 342.443 0.969 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)C1=O ZINC001045142484 775043735 /nfs/dbraw/zinc/04/37/35/775043735.db2.gz JUDUTYPAMSEHFZ-JKSUJKDBSA-N 2 2 345.447 0.641 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060463 790477241 /nfs/dbraw/zinc/47/72/41/790477241.db2.gz XURAZLSXMQIZTE-SJORKVTESA-N 2 2 344.463 0.375 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001070060463 790477248 /nfs/dbraw/zinc/47/72/48/790477248.db2.gz XURAZLSXMQIZTE-SJORKVTESA-N 2 2 344.463 0.375 20 30 ECEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070337287 783844730 /nfs/dbraw/zinc/84/47/30/783844730.db2.gz XVZCPEQDWQGONK-OLZOCXBDSA-N 2 2 335.799 0.269 20 30 ECEDLP C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924233 784124655 /nfs/dbraw/zinc/12/46/55/784124655.db2.gz JGVOPNQLNGKPAD-XHSDSOJGSA-N 2 2 348.447 0.374 20 30 ECEDLP C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924233 784124659 /nfs/dbraw/zinc/12/46/59/784124659.db2.gz JGVOPNQLNGKPAD-XHSDSOJGSA-N 2 2 348.447 0.374 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC(=O)NCC[N@@H+](CC=C)CC2)CC1 ZINC001071022190 784445042 /nfs/dbraw/zinc/44/50/42/784445042.db2.gz YRSDPPIBVZIJGH-UHFFFAOYSA-N 2 2 346.475 0.168 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC(=O)NCC[N@H+](CC=C)CC2)CC1 ZINC001071022190 784445048 /nfs/dbraw/zinc/44/50/48/784445048.db2.gz YRSDPPIBVZIJGH-UHFFFAOYSA-N 2 2 346.475 0.168 20 30 ECEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C[NH+](C)C)on1)C[C@@H](C)O2 ZINC001071183267 784683256 /nfs/dbraw/zinc/68/32/56/784683256.db2.gz LSVGVLHRHARACM-RDTXWAMCSA-N 2 2 346.431 0.675 20 30 ECEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(C[NH+](C)C)on1)C[C@@H](C)O2 ZINC001071183267 784683263 /nfs/dbraw/zinc/68/32/63/784683263.db2.gz LSVGVLHRHARACM-RDTXWAMCSA-N 2 2 346.431 0.675 20 30 ECEDLP C=CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C(=O)C1 ZINC001071258265 784862342 /nfs/dbraw/zinc/86/23/42/784862342.db2.gz BTBGVWOFDFIGJB-DLBZAZTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCC[NH+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C(=O)C1 ZINC001071258265 784862346 /nfs/dbraw/zinc/86/23/46/784862346.db2.gz BTBGVWOFDFIGJB-DLBZAZTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCC[N@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258265 784862351 /nfs/dbraw/zinc/86/23/51/784862351.db2.gz BTBGVWOFDFIGJB-DLBZAZTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCC[N@@H+]1CCN([C@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)C2)C(=O)C1 ZINC001071258265 784862354 /nfs/dbraw/zinc/86/23/54/784862354.db2.gz BTBGVWOFDFIGJB-DLBZAZTESA-N 2 2 348.491 0.792 20 30 ECEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001074361279 786754760 /nfs/dbraw/zinc/75/47/60/786754760.db2.gz ZMXFUNRDEZTAGH-IRXDYDNUSA-N 2 2 337.464 0.587 20 30 ECEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001074361279 786754765 /nfs/dbraw/zinc/75/47/65/786754765.db2.gz ZMXFUNRDEZTAGH-IRXDYDNUSA-N 2 2 337.464 0.587 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001073633684 786826254 /nfs/dbraw/zinc/82/62/54/786826254.db2.gz CQYAEMLDEJHNMU-JKSUJKDBSA-N 2 2 330.432 0.991 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001073633684 786826265 /nfs/dbraw/zinc/82/62/65/786826265.db2.gz CQYAEMLDEJHNMU-JKSUJKDBSA-N 2 2 330.432 0.991 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664864 786912315 /nfs/dbraw/zinc/91/23/15/786912315.db2.gz QRCBUFHZTGTJPD-RDJZCZTQSA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001073664864 786912321 /nfs/dbraw/zinc/91/23/21/786912321.db2.gz QRCBUFHZTGTJPD-RDJZCZTQSA-N 2 2 330.432 0.676 20 30 ECEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764875 787157310 /nfs/dbraw/zinc/15/73/10/787157310.db2.gz MPHJTVXYNDOARV-SJLPKXTDSA-N 2 2 344.459 0.984 20 30 ECEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001073764875 787157311 /nfs/dbraw/zinc/15/73/11/787157311.db2.gz MPHJTVXYNDOARV-SJLPKXTDSA-N 2 2 344.459 0.984 20 30 ECEDLP C#CC[NH2+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001075415007 789343398 /nfs/dbraw/zinc/34/33/98/789343398.db2.gz CKTSKHWSINDWNN-QAPCUYQASA-N 2 2 330.432 0.961 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)Cn4cc[nH+]c4)C3)C2)C1=O ZINC001073483705 789885861 /nfs/dbraw/zinc/88/58/61/789885861.db2.gz FJDCAOGMRITEHN-HNNXBMFYSA-N 2 2 343.431 0.204 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)Cn4cc[nH+]c4)C3)C2)C1=O ZINC001073483705 789885867 /nfs/dbraw/zinc/88/58/67/789885867.db2.gz FJDCAOGMRITEHN-HNNXBMFYSA-N 2 2 343.431 0.204 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931542 790204469 /nfs/dbraw/zinc/20/44/69/790204469.db2.gz IKOGZSBETGBTGM-HZMVEIRTSA-N 2 2 344.463 0.373 20 30 ECEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931542 790204470 /nfs/dbraw/zinc/20/44/70/790204470.db2.gz IKOGZSBETGBTGM-HZMVEIRTSA-N 2 2 344.463 0.373 20 30 ECEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931542 790204477 /nfs/dbraw/zinc/20/44/77/790204477.db2.gz IKOGZSBETGBTGM-HZMVEIRTSA-N 2 2 344.463 0.373 20 30 ECEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001069931542 790204482 /nfs/dbraw/zinc/20/44/82/790204482.db2.gz IKOGZSBETGBTGM-HZMVEIRTSA-N 2 2 344.463 0.373 20 30 ECEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266521103 835935923 /nfs/dbraw/zinc/93/59/23/835935923.db2.gz ZUNHYGILSHWNHW-HUUCEWRRSA-N 2 2 345.447 0.186 20 30 ECEDLP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266521103 835935928 /nfs/dbraw/zinc/93/59/28/835935928.db2.gz ZUNHYGILSHWNHW-HUUCEWRRSA-N 2 2 345.447 0.186 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001266802159 836325314 /nfs/dbraw/zinc/32/53/14/836325314.db2.gz XCVXIUZSYIOCKW-HZPDHXFCSA-N 2 2 347.463 0.792 20 30 ECEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001266802155 836325341 /nfs/dbraw/zinc/32/53/41/836325341.db2.gz XCVXIUZSYIOCKW-CVEARBPZSA-N 2 2 347.463 0.792 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001267134216 836834081 /nfs/dbraw/zinc/83/40/81/836834081.db2.gz DULXJJDJSKFVEL-UKRRQHHQSA-N 2 2 347.463 0.549 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)N(C)CC)C2)CC1 ZINC001267622074 838061539 /nfs/dbraw/zinc/06/15/39/838061539.db2.gz KVDPVZRJBKWMCP-QGZVFWFLSA-N 2 2 348.491 0.391 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=O)N(C)CC)C2)CC1 ZINC001267622074 838061547 /nfs/dbraw/zinc/06/15/47/838061547.db2.gz KVDPVZRJBKWMCP-QGZVFWFLSA-N 2 2 348.491 0.391 20 30 ECEDLP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001268074590 839268947 /nfs/dbraw/zinc/26/89/47/839268947.db2.gz BORGLQLRXBKSOW-OAGGEKHMSA-N 2 2 325.453 0.489 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000490635368 421165695 /nfs/dbraw/zinc/16/56/95/421165695.db2.gz GRSDPJLZRRKKGC-UHFFFAOYSA-N 2 2 345.447 0.499 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCC(C(=O)OC)CC1 ZINC000087102226 436396678 /nfs/dbraw/zinc/39/66/78/436396678.db2.gz VXMJYZOEEKSGPE-UHFFFAOYSA-N 2 2 336.440 0.447 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000120640458 436695250 /nfs/dbraw/zinc/69/52/50/436695250.db2.gz BGVBFQXOVVPTIN-SJORKVTESA-N 2 2 335.496 0.562 20 30 ECEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000120640458 436695251 /nfs/dbraw/zinc/69/52/51/436695251.db2.gz BGVBFQXOVVPTIN-SJORKVTESA-N 2 2 335.496 0.562 20 30 ECEDLP C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000162743124 436913474 /nfs/dbraw/zinc/91/34/74/436913474.db2.gz IHDARRCVOLTSJI-CYBMUJFWSA-N 2 2 325.482 0.798 20 30 ECEDLP C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000162743124 436913477 /nfs/dbraw/zinc/91/34/77/436913477.db2.gz IHDARRCVOLTSJI-CYBMUJFWSA-N 2 2 325.482 0.798 20 30 ECEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264165911 437018530 /nfs/dbraw/zinc/01/85/30/437018530.db2.gz GTRVRHOCFXRMIF-CYBMUJFWSA-N 2 2 347.419 0.613 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000174776903 437086313 /nfs/dbraw/zinc/08/63/13/437086313.db2.gz JGVRMKRPSSRVNR-QGZVFWFLSA-N 2 2 340.468 0.019 20 30 ECEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331439811 437095860 /nfs/dbraw/zinc/09/58/60/437095860.db2.gz XFMHHQLMXXNBQO-UKRRQHHQSA-N 2 2 347.463 0.032 20 30 ECEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C#N)([NH+](C)C)CC1 ZINC000331439811 437095863 /nfs/dbraw/zinc/09/58/63/437095863.db2.gz XFMHHQLMXXNBQO-UKRRQHHQSA-N 2 2 347.463 0.032 20 30 ECEDLP C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000264976781 437100314 /nfs/dbraw/zinc/10/03/14/437100314.db2.gz INKJZOCZVWZACF-UHFFFAOYSA-N 2 2 342.447 0.870 20 30 ECEDLP CCNC(=[NH2+])NCc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000267457885 437327183 /nfs/dbraw/zinc/32/71/83/437327183.db2.gz UALWLPNYHJXZRR-UHFFFAOYSA-N 2 2 339.465 0.047 20 30 ECEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000343762987 437650247 /nfs/dbraw/zinc/65/02/47/437650247.db2.gz JKPZLMMLCUAJTF-CQSZACIVSA-N 2 2 345.447 0.503 20 30 ECEDLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@@H+]1C1CC1 ZINC000331376463 437747242 /nfs/dbraw/zinc/74/72/42/437747242.db2.gz GZCSJJAVMBUELR-ZIAGYGMSSA-N 2 2 347.463 0.174 20 30 ECEDLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(C#N)([NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000331376463 437747245 /nfs/dbraw/zinc/74/72/45/437747245.db2.gz GZCSJJAVMBUELR-ZIAGYGMSSA-N 2 2 347.463 0.174 20 30 ECEDLP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423727624 437816746 /nfs/dbraw/zinc/81/67/46/437816746.db2.gz VKFVHHBWGZORJE-AWEZNQCLSA-N 2 2 343.431 0.008 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@@]2([NH+]3CCOCC3)CCCOC2)CC1 ZINC000363538460 437797126 /nfs/dbraw/zinc/79/71/26/437797126.db2.gz UCWJFKSBSLCLRA-IBGZPJMESA-N 2 2 349.475 0.329 20 30 ECEDLP COC1CC[NH+](C(C)(C)C[NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000563000198 438857053 /nfs/dbraw/zinc/85/70/53/438857053.db2.gz RUJXESJCVDKARE-HNNXBMFYSA-N 2 2 326.485 0.672 20 30 ECEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000602875838 439150973 /nfs/dbraw/zinc/15/09/73/439150973.db2.gz AUMDJJIGNHWABD-FUHWJXTLSA-N 2 2 333.432 0.686 20 30 ECEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000602875838 439150977 /nfs/dbraw/zinc/15/09/77/439150977.db2.gz AUMDJJIGNHWABD-FUHWJXTLSA-N 2 2 333.432 0.686 20 30 ECEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1C#N ZINC000602989679 439179041 /nfs/dbraw/zinc/17/90/41/439179041.db2.gz YYTLNGYDGAAWQG-INIZCTEOSA-N 2 2 346.431 0.004 20 30 ECEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1C#N ZINC000602989679 439179047 /nfs/dbraw/zinc/17/90/47/439179047.db2.gz YYTLNGYDGAAWQG-INIZCTEOSA-N 2 2 346.431 0.004 20 30 ECEDLP N#Cc1csc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000603429309 439260113 /nfs/dbraw/zinc/26/01/13/439260113.db2.gz WECZSSKRIMEFLB-CQSZACIVSA-N 2 2 335.477 0.901 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](COC)Cc2ccccc2)CC1 ZINC000490742170 439293988 /nfs/dbraw/zinc/29/39/88/439293988.db2.gz VTMJCGZHOTWKRD-IBGZPJMESA-N 2 2 343.471 0.953 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](COC)Cc2ccccc2)CC1 ZINC000490742170 439293994 /nfs/dbraw/zinc/29/39/94/439293994.db2.gz VTMJCGZHOTWKRD-IBGZPJMESA-N 2 2 343.471 0.953 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)CON=C(N)C[NH+]2CCCCCC2)CC1 ZINC000490762669 439296520 /nfs/dbraw/zinc/29/65/20/439296520.db2.gz JIVZQLRAGBLYRY-UHFFFAOYSA-N 2 2 335.452 0.138 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000490778997 439299024 /nfs/dbraw/zinc/29/90/24/439299024.db2.gz QLPIEKJLIGFAOL-INIZCTEOSA-N 2 2 329.448 0.377 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000490778997 439299028 /nfs/dbraw/zinc/29/90/28/439299028.db2.gz QLPIEKJLIGFAOL-INIZCTEOSA-N 2 2 329.448 0.377 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)CC1 ZINC000491405251 439378130 /nfs/dbraw/zinc/37/81/30/439378130.db2.gz HRBDCYLDWSZVQZ-OKZBNKHCSA-N 2 2 346.475 0.000 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2CC(=O)NCC)CC1 ZINC000491630916 439414525 /nfs/dbraw/zinc/41/45/25/439414525.db2.gz OPTVDYDSQWVNSO-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CC(=O)NCC)CC1 ZINC000491630916 439414530 /nfs/dbraw/zinc/41/45/30/439414530.db2.gz OPTVDYDSQWVNSO-INIZCTEOSA-N 2 2 334.464 0.145 20 30 ECEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(C#N)nc1 ZINC000599483592 439486648 /nfs/dbraw/zinc/48/66/48/439486648.db2.gz ZPWVFUVSMMKKTR-UHFFFAOYSA-N 2 2 329.448 0.980 20 30 ECEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccc(C#N)nc1 ZINC000599483592 439486651 /nfs/dbraw/zinc/48/66/51/439486651.db2.gz ZPWVFUVSMMKKTR-UHFFFAOYSA-N 2 2 329.448 0.980 20 30 ECEDLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439075 439560469 /nfs/dbraw/zinc/56/04/69/439560469.db2.gz NNIQREVFQMKIHP-JKSUJKDBSA-N 2 2 349.479 0.553 20 30 ECEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000594440559 439560849 /nfs/dbraw/zinc/56/08/49/439560849.db2.gz FINQEWHBSBNKKI-OAHLLOKOSA-N 2 2 331.420 0.946 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)CCOCC1 ZINC000600746919 439699380 /nfs/dbraw/zinc/69/93/80/439699380.db2.gz YMCKIONALBEFSD-HZPDHXFCSA-N 2 2 325.453 0.494 20 30 ECEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)CCOCC1 ZINC000600746919 439699385 /nfs/dbraw/zinc/69/93/85/439699385.db2.gz YMCKIONALBEFSD-HZPDHXFCSA-N 2 2 325.453 0.494 20 30 ECEDLP Cc1onc(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000611528263 439703487 /nfs/dbraw/zinc/70/34/87/439703487.db2.gz BIBCRHQNPUNDNQ-ZDUSSCGKSA-N 2 2 331.420 0.682 20 30 ECEDLP Cc1onc(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000611528263 439703490 /nfs/dbraw/zinc/70/34/90/439703490.db2.gz BIBCRHQNPUNDNQ-ZDUSSCGKSA-N 2 2 331.420 0.682 20 30 ECEDLP C=CC[C@]1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000662718637 439858260 /nfs/dbraw/zinc/85/82/60/439858260.db2.gz NCRGRKCZVPGNOD-QGZVFWFLSA-N 2 2 333.436 0.852 20 30 ECEDLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078005395 782118748 /nfs/dbraw/zinc/11/87/48/782118748.db2.gz BZSMDDKGZMYODE-ZTFGCOKTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078005395 782118755 /nfs/dbraw/zinc/11/87/55/782118755.db2.gz BZSMDDKGZMYODE-ZTFGCOKTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078005395 782118760 /nfs/dbraw/zinc/11/87/60/782118760.db2.gz BZSMDDKGZMYODE-ZTFGCOKTSA-N 2 2 342.443 0.561 20 30 ECEDLP C[NH+]1CC[C@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078005395 782118767 /nfs/dbraw/zinc/11/87/67/782118767.db2.gz BZSMDDKGZMYODE-ZTFGCOKTSA-N 2 2 342.443 0.561 20 30 ECEDLP C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672641408 548365544 /nfs/dbraw/zinc/36/55/44/548365544.db2.gz PYZTWMGPQSVANJ-OAHLLOKOSA-N 2 2 336.480 0.696 20 30 ECEDLP C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672641408 548365548 /nfs/dbraw/zinc/36/55/48/548365548.db2.gz PYZTWMGPQSVANJ-OAHLLOKOSA-N 2 2 336.480 0.696 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558938 578327377 /nfs/dbraw/zinc/32/73/77/578327377.db2.gz FCWLRZUIDQENIA-MSOLQXFVSA-N 3 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558938 578327378 /nfs/dbraw/zinc/32/73/78/578327378.db2.gz FCWLRZUIDQENIA-MSOLQXFVSA-N 3 2 332.492 0.711 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000732558938 578327379 /nfs/dbraw/zinc/32/73/79/578327379.db2.gz FCWLRZUIDQENIA-MSOLQXFVSA-N 3 2 332.492 0.711 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000732558938 578327380 /nfs/dbraw/zinc/32/73/80/578327380.db2.gz FCWLRZUIDQENIA-MSOLQXFVSA-N 3 2 332.492 0.711 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)CC1 ZINC000766977104 579098916 /nfs/dbraw/zinc/09/89/16/579098916.db2.gz PXOQBNZVCMEDEX-WMZOPIPTSA-N 2 2 329.444 0.518 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000891605897 586181578 /nfs/dbraw/zinc/18/15/78/586181578.db2.gz BRZSIDDHCOGBIT-QGZVFWFLSA-N 2 2 342.443 0.901 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000891605897 586181579 /nfs/dbraw/zinc/18/15/79/586181579.db2.gz BRZSIDDHCOGBIT-QGZVFWFLSA-N 2 2 342.443 0.901 20 30 ECEDLP C#CCNc1nc(NC[C@H]2CC[NH+]2C)nc(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895770767 586203920 /nfs/dbraw/zinc/20/39/20/586203920.db2.gz QZGBIKAJUHFCLM-BETUJISGSA-N 2 2 330.440 0.149 20 30 ECEDLP C#CCNc1nc(NC[C@H]2CC[NH+]2C)nc(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895770767 586203923 /nfs/dbraw/zinc/20/39/23/586203923.db2.gz QZGBIKAJUHFCLM-BETUJISGSA-N 2 2 330.440 0.149 20 30 ECEDLP C#CCNc1nc(NC[C@H]2CC[N@@H+]2C)nc(NC[C@@H]2CC[NH+]2C)n1 ZINC000895770767 586203926 /nfs/dbraw/zinc/20/39/26/586203926.db2.gz QZGBIKAJUHFCLM-BETUJISGSA-N 2 2 330.440 0.149 20 30 ECEDLP C#CCNc1nc(NC[C@H]2CC[N@H+]2C)nc(NC[C@@H]2CC[NH+]2C)n1 ZINC000895770767 586203928 /nfs/dbraw/zinc/20/39/28/586203928.db2.gz QZGBIKAJUHFCLM-BETUJISGSA-N 2 2 330.440 0.149 20 30 ECEDLP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905447143 586892431 /nfs/dbraw/zinc/89/24/31/586892431.db2.gz OTJODJFCSGQIAI-SJORKVTESA-N 2 2 338.496 0.673 20 30 ECEDLP C#CCCCNC(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000804008175 587072850 /nfs/dbraw/zinc/07/28/50/587072850.db2.gz JRQVZZHXSMHLRN-UHFFFAOYSA-N 2 2 334.464 0.191 20 30 ECEDLP C=CCN1CCN(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000840036168 587082457 /nfs/dbraw/zinc/08/24/57/587082457.db2.gz QAAQXRFMQZMQCE-IAGOWNOFSA-N 2 2 335.496 0.825 20 30 ECEDLP C=CCN1CCN(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000840036168 587082459 /nfs/dbraw/zinc/08/24/59/587082459.db2.gz QAAQXRFMQZMQCE-IAGOWNOFSA-N 2 2 335.496 0.825 20 30 ECEDLP C#CCN1C(=O)C[C@@H]([NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000821771852 587629990 /nfs/dbraw/zinc/62/99/90/587629990.db2.gz PBHSQXJEBGMFPD-QGZVFWFLSA-N 2 2 346.475 0.238 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](CO)Cc2ccccc2)CC1 ZINC000852289628 589454216 /nfs/dbraw/zinc/45/42/16/589454216.db2.gz XPJIAPOTZLXERI-GOSISDBHSA-N 2 2 329.444 0.299 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](CO)Cc2ccccc2)CC1 ZINC000852289628 589454217 /nfs/dbraw/zinc/45/42/17/589454217.db2.gz XPJIAPOTZLXERI-GOSISDBHSA-N 2 2 329.444 0.299 20 30 ECEDLP C#C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCOCC1 ZINC000853913101 589564170 /nfs/dbraw/zinc/56/41/70/589564170.db2.gz DCSJMIDIHIWCSB-KRWDZBQOSA-N 2 2 336.480 0.740 20 30 ECEDLP C#CC[C@@H](COC)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000858189849 589729648 /nfs/dbraw/zinc/72/96/48/589729648.db2.gz ULAWDZKAQHACBS-INIZCTEOSA-N 2 2 336.480 0.883 20 30 ECEDLP C[NH+](C)CCCNC(=S)NN=C1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872349598 590115239 /nfs/dbraw/zinc/11/52/39/590115239.db2.gz BNERAOJNZNIWNG-ZDUSSCGKSA-N 2 2 329.539 0.969 20 30 ECEDLP C[NH+](C)CCCNC(=S)NN=C1CCC[N@H+]2CCSC[C@@H]12 ZINC000872349598 590115241 /nfs/dbraw/zinc/11/52/41/590115241.db2.gz BNERAOJNZNIWNG-ZDUSSCGKSA-N 2 2 329.539 0.969 20 30 ECEDLP C[C@H](NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H](C)[NH+]1CCOCC1 ZINC000876756399 590409989 /nfs/dbraw/zinc/40/99/89/590409989.db2.gz TWJNUBFLPQSMGY-SUNYJGFJSA-N 2 2 342.443 0.970 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000884055029 590722173 /nfs/dbraw/zinc/72/21/73/590722173.db2.gz ZIDQRAFJJUBWHI-KRWDZBQOSA-N 2 2 335.496 0.411 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000884055029 590722177 /nfs/dbraw/zinc/72/21/77/590722177.db2.gz ZIDQRAFJJUBWHI-KRWDZBQOSA-N 2 2 335.496 0.411 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000884182426 590764800 /nfs/dbraw/zinc/76/48/00/590764800.db2.gz IPCJBCMGRHNICE-INIZCTEOSA-N 2 2 342.399 0.994 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000884199330 590772074 /nfs/dbraw/zinc/77/20/74/590772074.db2.gz WPZBPMWVNIKHPZ-QZTJIDSGSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000884199330 590772076 /nfs/dbraw/zinc/77/20/76/590772076.db2.gz WPZBPMWVNIKHPZ-QZTJIDSGSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000884199330 590772078 /nfs/dbraw/zinc/77/20/78/590772078.db2.gz WPZBPMWVNIKHPZ-QZTJIDSGSA-N 2 2 349.523 0.657 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000884199330 590772081 /nfs/dbraw/zinc/77/20/81/590772081.db2.gz WPZBPMWVNIKHPZ-QZTJIDSGSA-N 2 2 349.523 0.657 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000884306224 590800776 /nfs/dbraw/zinc/80/07/76/590800776.db2.gz YOUSCDANUKPPEN-JKSUJKDBSA-N 2 2 331.416 0.948 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000884306224 590800778 /nfs/dbraw/zinc/80/07/78/590800778.db2.gz YOUSCDANUKPPEN-JKSUJKDBSA-N 2 2 331.416 0.948 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000884420324 590824226 /nfs/dbraw/zinc/82/42/26/590824226.db2.gz PTFFXFQBBRMDAL-KBPBESRZSA-N 2 2 327.425 0.002 20 30 ECEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000890371467 591154937 /nfs/dbraw/zinc/15/49/37/591154937.db2.gz WATCKZLOYBWNSP-KRWDZBQOSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCOC(C)C)CC2)C1 ZINC000890371467 591154940 /nfs/dbraw/zinc/15/49/40/591154940.db2.gz WATCKZLOYBWNSP-KRWDZBQOSA-N 2 2 336.480 0.836 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)C1 ZINC000941641161 610435212 /nfs/dbraw/zinc/43/52/12/610435212.db2.gz WQGMWQXLPDXNSL-UHFFFAOYSA-N 2 2 341.459 0.613 20 30 ECEDLP C#CC[NH+]1CC(N2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)C1 ZINC000941675121 610447987 /nfs/dbraw/zinc/44/79/87/610447987.db2.gz UOWLLRPIVPFBLS-UHFFFAOYSA-N 2 2 340.471 0.823 20 30 ECEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000923563955 611263390 /nfs/dbraw/zinc/26/33/90/611263390.db2.gz ZWIBMCMBFDKFCB-MRXNPFEDSA-N 2 2 341.459 0.661 20 30 ECEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000923563955 611263391 /nfs/dbraw/zinc/26/33/91/611263391.db2.gz ZWIBMCMBFDKFCB-MRXNPFEDSA-N 2 2 341.459 0.661 20 30 ECEDLP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000949326476 611939947 /nfs/dbraw/zinc/93/99/47/611939947.db2.gz VHNDVUXQMFGSCN-INIZCTEOSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000949326476 611939949 /nfs/dbraw/zinc/93/99/49/611939949.db2.gz VHNDVUXQMFGSCN-INIZCTEOSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC000949326476 611939950 /nfs/dbraw/zinc/93/99/50/611939950.db2.gz VHNDVUXQMFGSCN-INIZCTEOSA-N 2 2 335.448 0.034 20 30 ECEDLP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC000949326476 611939952 /nfs/dbraw/zinc/93/99/52/611939952.db2.gz VHNDVUXQMFGSCN-INIZCTEOSA-N 2 2 335.448 0.034 20 30 ECEDLP CC#CC[N@@H+]1CCOC2(CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000949412537 611970021 /nfs/dbraw/zinc/97/00/21/611970021.db2.gz YEPLGGDHKVTTME-UHFFFAOYSA-N 2 2 330.432 0.908 20 30 ECEDLP CC#CC[N@H+]1CCOC2(CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000949412537 611970022 /nfs/dbraw/zinc/97/00/22/611970022.db2.gz YEPLGGDHKVTTME-UHFFFAOYSA-N 2 2 330.432 0.908 20 30 ECEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000970198127 733179918 /nfs/dbraw/zinc/17/99/18/733179918.db2.gz INYULZHMNWPHSF-JQHSSLGASA-N 2 2 349.475 0.326 20 30 ECEDLP N#Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000970270072 733284586 /nfs/dbraw/zinc/28/45/86/733284586.db2.gz GRHLDBCHZWARLN-GOSISDBHSA-N 2 2 342.443 0.971 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261951071 734866581 /nfs/dbraw/zinc/86/65/81/734866581.db2.gz HJVAZEYBEAZMEI-SWLSCSKDSA-N 3 2 333.484 0.634 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261951071 734866585 /nfs/dbraw/zinc/86/65/85/734866585.db2.gz HJVAZEYBEAZMEI-SWLSCSKDSA-N 3 2 333.484 0.634 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC001023424125 736807413 /nfs/dbraw/zinc/80/74/13/736807413.db2.gz OMUXIRVLQBOMGC-IRXDYDNUSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC001023424125 736807418 /nfs/dbraw/zinc/80/74/18/736807418.db2.gz OMUXIRVLQBOMGC-IRXDYDNUSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(=O)N2CCC2)C1 ZINC001023424125 736807419 /nfs/dbraw/zinc/80/74/19/736807419.db2.gz OMUXIRVLQBOMGC-IRXDYDNUSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(=O)N2CCC2)C1 ZINC001023424125 736807424 /nfs/dbraw/zinc/80/74/24/736807424.db2.gz OMUXIRVLQBOMGC-IRXDYDNUSA-N 2 2 346.475 0.145 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](Cc3cnon3)C2)CC1 ZINC001023762086 737326776 /nfs/dbraw/zinc/32/67/76/737326776.db2.gz QYBURWQHJRFWIS-OAHLLOKOSA-N 2 2 345.447 0.743 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3cnon3)C2)CC1 ZINC001023762086 737326777 /nfs/dbraw/zinc/32/67/77/737326777.db2.gz QYBURWQHJRFWIS-OAHLLOKOSA-N 2 2 345.447 0.743 20 30 ECEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972678269 737357573 /nfs/dbraw/zinc/35/75/73/737357573.db2.gz VEOMGQBOPKOMDI-SJLPKXTDSA-N 2 2 337.464 0.444 20 30 ECEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000972678269 737357577 /nfs/dbraw/zinc/35/75/77/737357577.db2.gz VEOMGQBOPKOMDI-SJLPKXTDSA-N 2 2 337.464 0.444 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000974152069 741014274 /nfs/dbraw/zinc/01/42/74/741014274.db2.gz ZQQOPYMWQYPHQG-XHSDSOJGSA-N 2 2 343.431 0.053 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000974152069 741014277 /nfs/dbraw/zinc/01/42/77/741014277.db2.gz ZQQOPYMWQYPHQG-XHSDSOJGSA-N 2 2 343.431 0.053 20 30 ECEDLP C#CCCN1CC[NH+](C2CCC(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC000996802299 742891319 /nfs/dbraw/zinc/89/13/19/742891319.db2.gz KMOADNFVSYNTFM-UHFFFAOYSA-N 2 2 343.475 0.951 20 30 ECEDLP C[NH+]=C(NC[C@@H]1CCCCO1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000262019341 743463297 /nfs/dbraw/zinc/46/32/97/743463297.db2.gz YMJDZMUGOPRSTR-HNNXBMFYSA-N 2 2 339.484 0.227 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999391337 744671497 /nfs/dbraw/zinc/67/14/97/744671497.db2.gz KUFNQVQDQUHFDZ-CVEARBPZSA-N 2 2 327.432 0.655 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000999391337 744671500 /nfs/dbraw/zinc/67/15/00/744671500.db2.gz KUFNQVQDQUHFDZ-CVEARBPZSA-N 2 2 327.432 0.655 20 30 ECEDLP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)nn2)C1 ZINC000999998906 745160197 /nfs/dbraw/zinc/16/01/97/745160197.db2.gz VHVPURSSSPRHPH-OAHLLOKOSA-N 2 2 349.398 0.964 20 30 ECEDLP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)nn2)C1 ZINC000999998906 745160198 /nfs/dbraw/zinc/16/01/98/745160198.db2.gz VHVPURSSSPRHPH-OAHLLOKOSA-N 2 2 349.398 0.964 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1=O ZINC000977646736 745332497 /nfs/dbraw/zinc/33/24/97/745332497.db2.gz NFIQXNCMXJFIRG-HUUCEWRRSA-N 2 2 345.447 0.497 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C(C)(C)C2)C1=O ZINC000977646736 745332502 /nfs/dbraw/zinc/33/25/02/745332502.db2.gz NFIQXNCMXJFIRG-HUUCEWRRSA-N 2 2 345.447 0.497 20 30 ECEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001000312718 745421439 /nfs/dbraw/zinc/42/14/39/745421439.db2.gz PEKJITMBJUNDMQ-HIFRSBDPSA-N 2 2 331.420 0.320 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3nnc(C)o3)C2)CC1 ZINC001000990649 745956006 /nfs/dbraw/zinc/95/60/06/745956006.db2.gz CXNVNPJJBZDZRJ-INIZCTEOSA-N 2 2 345.447 0.804 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC000984958228 747168936 /nfs/dbraw/zinc/16/89/36/747168936.db2.gz GYVROVMVMCTNMU-MGPQQGTHSA-N 2 2 331.420 0.224 20 30 ECEDLP C#CC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001088230876 747783893 /nfs/dbraw/zinc/78/38/93/747783893.db2.gz BKTIHPOLTVJPGS-ROUUACIJSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001088230876 747783897 /nfs/dbraw/zinc/78/38/97/747783897.db2.gz BKTIHPOLTVJPGS-ROUUACIJSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001088230876 747783903 /nfs/dbraw/zinc/78/39/03/747783903.db2.gz BKTIHPOLTVJPGS-ROUUACIJSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001088230876 747783907 /nfs/dbraw/zinc/78/39/07/747783907.db2.gz BKTIHPOLTVJPGS-ROUUACIJSA-N 2 2 349.475 0.280 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ncnn2C)C1 ZINC001029757810 748268595 /nfs/dbraw/zinc/26/85/95/748268595.db2.gz IOFDOKANWBQVDN-HOTGVXAUSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ncnn2C)C1 ZINC001029757810 748268599 /nfs/dbraw/zinc/26/85/99/748268599.db2.gz IOFDOKANWBQVDN-HOTGVXAUSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2ncnn2C)C1 ZINC001029757810 748268602 /nfs/dbraw/zinc/26/86/02/748268602.db2.gz IOFDOKANWBQVDN-HOTGVXAUSA-N 2 2 344.463 0.193 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2ncnn2C)C1 ZINC001029757810 748268608 /nfs/dbraw/zinc/26/86/08/748268608.db2.gz IOFDOKANWBQVDN-HOTGVXAUSA-N 2 2 344.463 0.193 20 30 ECEDLP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)Cn3c[nH+]cc3C)CC2)C1=O ZINC001003318014 748423268 /nfs/dbraw/zinc/42/32/68/748423268.db2.gz CPQYPHZJMVLWEO-MRXNPFEDSA-N 2 2 345.447 0.559 20 30 ECEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000985550976 748465419 /nfs/dbraw/zinc/46/54/19/748465419.db2.gz WZWXJOUMHLFVKN-MSOLQXFVSA-N 2 2 349.475 0.422 20 30 ECEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000985550976 748465422 /nfs/dbraw/zinc/46/54/22/748465422.db2.gz WZWXJOUMHLFVKN-MSOLQXFVSA-N 2 2 349.475 0.422 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001029852889 748831031 /nfs/dbraw/zinc/83/10/31/748831031.db2.gz JJPJADWGWFQYSR-GOEBONIOSA-N 2 2 345.447 0.519 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001029852889 748831039 /nfs/dbraw/zinc/83/10/39/748831039.db2.gz JJPJADWGWFQYSR-GOEBONIOSA-N 2 2 345.447 0.519 20 30 ECEDLP C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001029877801 749330993 /nfs/dbraw/zinc/33/09/93/749330993.db2.gz WCXRYEZIMWDGFN-GJZGRUSLSA-N 2 2 345.447 0.519 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1=O ZINC001029877801 749331000 /nfs/dbraw/zinc/33/10/00/749331000.db2.gz WCXRYEZIMWDGFN-GJZGRUSLSA-N 2 2 345.447 0.519 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262793926 749777051 /nfs/dbraw/zinc/77/70/51/749777051.db2.gz OUGPKZPAYQNYRM-CHWSQXEVSA-N 3 2 333.484 0.776 20 30 ECEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262793926 749777055 /nfs/dbraw/zinc/77/70/55/749777055.db2.gz OUGPKZPAYQNYRM-CHWSQXEVSA-N 3 2 333.484 0.776 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(CC)C2CN(Cc3c[nH+]cn3C)C2)CC1 ZINC000957422410 751000754 /nfs/dbraw/zinc/00/07/54/751000754.db2.gz YVILGXRWSAYNPE-UHFFFAOYSA-N 2 2 343.475 0.798 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001030019226 752630478 /nfs/dbraw/zinc/63/04/78/752630478.db2.gz XKHNLPGFGOGBTF-KBMXLJTQSA-N 2 2 344.463 0.852 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)c2nnc(C)[nH]2)C1 ZINC001030019226 752630482 /nfs/dbraw/zinc/63/04/82/752630482.db2.gz XKHNLPGFGOGBTF-KBMXLJTQSA-N 2 2 344.463 0.852 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000938097531 753262060 /nfs/dbraw/zinc/26/20/60/753262060.db2.gz UHEVTLLIDUYJQJ-HNNXBMFYSA-N 2 2 343.431 0.015 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)nn1 ZINC001105375940 753851412 /nfs/dbraw/zinc/85/14/12/753851412.db2.gz WAKCOZLQJAYRGF-MRXNPFEDSA-N 2 2 348.451 0.048 20 30 ECEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)nn1 ZINC001105375940 753851418 /nfs/dbraw/zinc/85/14/18/753851418.db2.gz WAKCOZLQJAYRGF-MRXNPFEDSA-N 2 2 348.451 0.048 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001009526561 754978764 /nfs/dbraw/zinc/97/87/64/754978764.db2.gz ZXGIKYLDSPNIPV-HZPDHXFCSA-N 2 2 345.447 0.559 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001009526561 754978767 /nfs/dbraw/zinc/97/87/67/754978767.db2.gz ZXGIKYLDSPNIPV-HZPDHXFCSA-N 2 2 345.447 0.559 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cn3c[nH+]cc3C)nn2)C1 ZINC001107185294 757360273 /nfs/dbraw/zinc/36/02/73/757360273.db2.gz PEWKEFRQVCTGCA-UHFFFAOYSA-N 2 2 329.408 0.532 20 30 ECEDLP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3COCC[N@@H+]3CC3CCC3)C[C@H]2C1 ZINC001048961000 757524446 /nfs/dbraw/zinc/52/44/46/757524446.db2.gz SMDXHMFWVVRYDH-FGTMMUONSA-N 2 2 331.460 0.511 20 30 ECEDLP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3COCC[N@H+]3CC3CCC3)C[C@H]2C1 ZINC001048961000 757524454 /nfs/dbraw/zinc/52/44/54/757524454.db2.gz SMDXHMFWVVRYDH-FGTMMUONSA-N 2 2 331.460 0.511 20 30 ECEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@H]2C1 ZINC001048961000 757524462 /nfs/dbraw/zinc/52/44/62/757524462.db2.gz SMDXHMFWVVRYDH-FGTMMUONSA-N 2 2 331.460 0.511 20 30 ECEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COCC[NH+]3CC3CCC3)C[C@H]2C1 ZINC001048961000 757524467 /nfs/dbraw/zinc/52/44/67/757524467.db2.gz SMDXHMFWVVRYDH-FGTMMUONSA-N 2 2 331.460 0.511 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001076917684 757589728 /nfs/dbraw/zinc/58/97/28/757589728.db2.gz RENVNXJIHSMCHA-AWEZNQCLSA-N 2 2 345.447 0.308 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC2(C)C)C1=O ZINC000996457233 757733265 /nfs/dbraw/zinc/73/32/65/757733265.db2.gz OFZUXYZBYWUWRK-ZIAGYGMSSA-N 2 2 345.447 0.566 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001107229097 757990337 /nfs/dbraw/zinc/99/03/37/757990337.db2.gz CCHWRIIYAKKIAM-AWEZNQCLSA-N 2 2 332.452 0.669 20 30 ECEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107229097 757990341 /nfs/dbraw/zinc/99/03/41/757990341.db2.gz CCHWRIIYAKKIAM-AWEZNQCLSA-N 2 2 332.452 0.669 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001049517308 758842775 /nfs/dbraw/zinc/84/27/75/758842775.db2.gz IKLIRQQRSIKXNL-KZNAEPCWSA-N 2 2 343.475 0.902 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001049517308 758842781 /nfs/dbraw/zinc/84/27/81/758842781.db2.gz IKLIRQQRSIKXNL-KZNAEPCWSA-N 2 2 343.475 0.902 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]2O)CC1 ZINC001047638340 759373026 /nfs/dbraw/zinc/37/30/26/759373026.db2.gz NMOVYRFGMXYWCP-KBKYZLAFSA-N 2 2 339.867 0.588 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2O)CC1 ZINC001047638340 759373035 /nfs/dbraw/zinc/37/30/35/759373035.db2.gz NMOVYRFGMXYWCP-KBKYZLAFSA-N 2 2 339.867 0.588 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)C1=O ZINC001050237952 760027061 /nfs/dbraw/zinc/02/70/61/760027061.db2.gz BOZPKEMPVCLCBH-JKSUJKDBSA-N 2 2 345.447 0.498 20 30 ECEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051030401 761366641 /nfs/dbraw/zinc/36/66/41/761366641.db2.gz YZUGOKARPUUNAE-DHADLLTHSA-N 2 2 349.475 0.633 20 30 ECEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001051030401 761366651 /nfs/dbraw/zinc/36/66/51/761366651.db2.gz YZUGOKARPUUNAE-DHADLLTHSA-N 2 2 349.475 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001051030401 761366662 /nfs/dbraw/zinc/36/66/62/761366662.db2.gz YZUGOKARPUUNAE-DHADLLTHSA-N 2 2 349.475 0.633 20 30 ECEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001051030401 761366673 /nfs/dbraw/zinc/36/66/73/761366673.db2.gz YZUGOKARPUUNAE-DHADLLTHSA-N 2 2 349.475 0.633 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC001014780148 763140170 /nfs/dbraw/zinc/14/01/70/763140170.db2.gz QLVSUYNKEAFASH-HOCLYGCPSA-N 2 2 332.473 0.974 20 30 ECEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2ccns2)C1 ZINC001014780148 763140178 /nfs/dbraw/zinc/14/01/78/763140178.db2.gz QLVSUYNKEAFASH-HOCLYGCPSA-N 2 2 332.473 0.974 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2ccns2)C1 ZINC001014780148 763140183 /nfs/dbraw/zinc/14/01/83/763140183.db2.gz QLVSUYNKEAFASH-HOCLYGCPSA-N 2 2 332.473 0.974 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCc2ccns2)C1 ZINC001014780148 763140190 /nfs/dbraw/zinc/14/01/90/763140190.db2.gz QLVSUYNKEAFASH-HOCLYGCPSA-N 2 2 332.473 0.974 20 30 ECEDLP C=CCN1CC[C@@H]([NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1=O ZINC001046895724 763327345 /nfs/dbraw/zinc/32/73/45/763327345.db2.gz ABOVJOSBLHNGOP-QAPCUYQASA-N 2 2 345.447 0.567 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052026768 763619624 /nfs/dbraw/zinc/61/96/24/763619624.db2.gz SYKVGVWEKMEHKG-DLBZAZTESA-N 2 2 333.480 0.601 20 30 ECEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052026768 763619632 /nfs/dbraw/zinc/61/96/32/763619632.db2.gz SYKVGVWEKMEHKG-DLBZAZTESA-N 2 2 333.480 0.601 20 30 ECEDLP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001052052783 763717576 /nfs/dbraw/zinc/71/75/76/763717576.db2.gz XHUKZNIIUQRRSL-KRWDZBQOSA-N 2 2 329.448 0.433 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081454 763799175 /nfs/dbraw/zinc/79/91/75/763799175.db2.gz BQHNFTIKSOFSMF-QZTJIDSGSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081454 763799178 /nfs/dbraw/zinc/79/91/78/763799178.db2.gz BQHNFTIKSOFSMF-QZTJIDSGSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081454 763799186 /nfs/dbraw/zinc/79/91/86/763799186.db2.gz BQHNFTIKSOFSMF-QZTJIDSGSA-N 2 2 332.492 0.570 20 30 ECEDLP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081454 763799192 /nfs/dbraw/zinc/79/91/92/763799192.db2.gz BQHNFTIKSOFSMF-QZTJIDSGSA-N 2 2 332.492 0.570 20 30 ECEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001015296622 764324693 /nfs/dbraw/zinc/32/46/93/764324693.db2.gz XBZZARZFKVOBKQ-HUUCEWRRSA-N 2 2 331.420 0.169 20 30 ECEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001015296622 764324702 /nfs/dbraw/zinc/32/47/02/764324702.db2.gz XBZZARZFKVOBKQ-HUUCEWRRSA-N 2 2 331.420 0.169 20 30 ECEDLP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001047432662 764329808 /nfs/dbraw/zinc/32/98/08/764329808.db2.gz CSTYKXQFONHQAZ-XIRDDKMYSA-N 2 2 332.448 0.915 20 30 ECEDLP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001047432662 764329813 /nfs/dbraw/zinc/32/98/13/764329813.db2.gz CSTYKXQFONHQAZ-XIRDDKMYSA-N 2 2 332.448 0.915 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H]2C)C1=O ZINC001089005992 764753842 /nfs/dbraw/zinc/75/38/42/764753842.db2.gz JDPQPIAYBFCMLW-YCPHGPKFSA-N 2 2 345.447 0.627 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3[nH]c[nH+]c3C)[C@H]2C)C1=O ZINC001089005992 764753850 /nfs/dbraw/zinc/75/38/50/764753850.db2.gz JDPQPIAYBFCMLW-YCPHGPKFSA-N 2 2 345.447 0.627 20 30 ECEDLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046035135 766717587 /nfs/dbraw/zinc/71/75/87/766717587.db2.gz FMZQWFJSZBLSNY-QZTJIDSGSA-N 2 2 347.507 0.991 20 30 ECEDLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046035135 766717595 /nfs/dbraw/zinc/71/75/95/766717595.db2.gz FMZQWFJSZBLSNY-QZTJIDSGSA-N 2 2 347.507 0.991 20 30 ECEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001046065540 766847908 /nfs/dbraw/zinc/84/79/08/766847908.db2.gz APGRHVDYVHMWQB-IRXDYDNUSA-N 2 2 329.448 0.686 20 30 ECEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)CC2)C1 ZINC001046065540 766847921 /nfs/dbraw/zinc/84/79/21/766847921.db2.gz APGRHVDYVHMWQB-IRXDYDNUSA-N 2 2 329.448 0.686 20 30 ECEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046068741 766864976 /nfs/dbraw/zinc/86/49/76/766864976.db2.gz RWNIUCXJERSVFZ-RDJZCZTQSA-N 2 2 331.464 0.993 20 30 ECEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CC2)C1 ZINC001046068741 766864987 /nfs/dbraw/zinc/86/49/87/766864987.db2.gz RWNIUCXJERSVFZ-RDJZCZTQSA-N 2 2 331.464 0.993 20 30 ECEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219936 767087455 /nfs/dbraw/zinc/08/74/55/767087455.db2.gz QYGOJLKMTHRODG-HKUYNNGSSA-N 2 2 342.443 0.969 20 30 ECEDLP C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219936 767087461 /nfs/dbraw/zinc/08/74/61/767087461.db2.gz QYGOJLKMTHRODG-HKUYNNGSSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219936 767087468 /nfs/dbraw/zinc/08/74/68/767087468.db2.gz QYGOJLKMTHRODG-HKUYNNGSSA-N 2 2 342.443 0.969 20 30 ECEDLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219936 767087474 /nfs/dbraw/zinc/08/74/74/767087474.db2.gz QYGOJLKMTHRODG-HKUYNNGSSA-N 2 2 342.443 0.969 20 30 ECEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)CO2 ZINC001053881473 767150495 /nfs/dbraw/zinc/15/04/95/767150495.db2.gz JWLFTGZSKUPNGW-DLBZAZTESA-N 2 2 331.460 0.844 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH+]([C@@H](C)COC)C3)C2)CC1 ZINC001054014470 767601065 /nfs/dbraw/zinc/60/10/65/767601065.db2.gz BJHJYHMFUOPUIZ-DOTOQJQBSA-N 2 2 349.475 0.326 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3csnn3)C2)CC1 ZINC001019813878 771828374 /nfs/dbraw/zinc/82/83/74/771828374.db2.gz OHZWHRMECDBHET-AWEZNQCLSA-N 2 2 333.461 0.574 20 30 ECEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001080137515 777441075 /nfs/dbraw/zinc/44/10/75/777441075.db2.gz GALLGNWBWNTMRM-BMFZPTHFSA-N 2 2 345.447 0.415 20 30 ECEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001080137515 777441080 /nfs/dbraw/zinc/44/10/80/777441080.db2.gz GALLGNWBWNTMRM-BMFZPTHFSA-N 2 2 345.447 0.415 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001070212354 783667426 /nfs/dbraw/zinc/66/74/26/783667426.db2.gz GDLJUMOOWFPXGJ-XOUADPBQSA-N 2 2 341.419 0.723 20 30 ECEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070212354 783667431 /nfs/dbraw/zinc/66/74/31/783667431.db2.gz GDLJUMOOWFPXGJ-XOUADPBQSA-N 2 2 341.419 0.723 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001070231672 783705302 /nfs/dbraw/zinc/70/53/02/783705302.db2.gz FILKQDAWUAQJIF-HIFRSBDPSA-N 2 2 335.371 0.214 20 30 ECEDLP CC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403369 783979389 /nfs/dbraw/zinc/97/93/89/783979389.db2.gz QYFCVWRIWMIAAN-GDBMZVCRSA-N 2 2 345.447 0.169 20 30 ECEDLP CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403369 783979396 /nfs/dbraw/zinc/97/93/96/783979396.db2.gz QYFCVWRIWMIAAN-GDBMZVCRSA-N 2 2 345.447 0.169 20 30 ECEDLP CC#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070403369 783979404 /nfs/dbraw/zinc/97/94/04/783979404.db2.gz QYFCVWRIWMIAAN-GDBMZVCRSA-N 2 2 345.447 0.169 20 30 ECEDLP CC#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070403369 783979406 /nfs/dbraw/zinc/97/94/06/783979406.db2.gz QYFCVWRIWMIAAN-GDBMZVCRSA-N 2 2 345.447 0.169 20 30 ECEDLP CC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403370 783979651 /nfs/dbraw/zinc/97/96/51/783979651.db2.gz QYFCVWRIWMIAAN-GOEBONIOSA-N 2 2 345.447 0.169 20 30 ECEDLP CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403370 783979656 /nfs/dbraw/zinc/97/96/56/783979656.db2.gz QYFCVWRIWMIAAN-GOEBONIOSA-N 2 2 345.447 0.169 20 30 ECEDLP CC#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070403370 783979666 /nfs/dbraw/zinc/97/96/66/783979666.db2.gz QYFCVWRIWMIAAN-GOEBONIOSA-N 2 2 345.447 0.169 20 30 ECEDLP CC#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070403370 783979671 /nfs/dbraw/zinc/97/96/71/783979671.db2.gz QYFCVWRIWMIAAN-GOEBONIOSA-N 2 2 345.447 0.169 20 30 ECEDLP C#CC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070445663 784098360 /nfs/dbraw/zinc/09/83/60/784098360.db2.gz HTCIZGOKIMBJST-HUUCEWRRSA-N 2 2 344.463 0.314 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001071000000 784367829 /nfs/dbraw/zinc/36/78/29/784367829.db2.gz JKAIIIQNAKVCNN-JKSUJKDBSA-N 2 2 336.480 0.411 20 30 ECEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001071000000 784367842 /nfs/dbraw/zinc/36/78/42/784367842.db2.gz JKAIIIQNAKVCNN-JKSUJKDBSA-N 2 2 336.480 0.411 20 30 ECEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001071000000 784367852 /nfs/dbraw/zinc/36/78/52/784367852.db2.gz JKAIIIQNAKVCNN-JKSUJKDBSA-N 2 2 336.480 0.411 20 30 ECEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001071000000 784367861 /nfs/dbraw/zinc/36/78/61/784367861.db2.gz JKAIIIQNAKVCNN-JKSUJKDBSA-N 2 2 336.480 0.411 20 30 ECEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1c1cncn1C ZINC001070643263 784485387 /nfs/dbraw/zinc/48/53/87/784485387.db2.gz SSAWNGVHYSSAAH-ZIAGYGMSSA-N 2 2 328.420 0.846 20 30 ECEDLP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1c1cncn1C ZINC001070696084 784563696 /nfs/dbraw/zinc/56/36/96/784563696.db2.gz BHMQVIPWNABDAF-ARFHVFGLSA-N 2 2 340.431 0.785 20 30 ECEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1nccn1C)C1CC1 ZINC001266411903 835817460 /nfs/dbraw/zinc/81/74/60/835817460.db2.gz HSVLBCFKVQWHRP-CVEARBPZSA-N 2 2 329.448 0.502 20 30 ECEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1nccn1C)C1CC1 ZINC001266411903 835817467 /nfs/dbraw/zinc/81/74/67/835817467.db2.gz HSVLBCFKVQWHRP-CVEARBPZSA-N 2 2 329.448 0.502 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266602102 836035145 /nfs/dbraw/zinc/03/51/45/836035145.db2.gz VIQMAVWIQHVGSQ-BPLDGKMQSA-N 2 2 344.415 0.007 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC(=O)N[C@H](C)C2CC2)CC1 ZINC001267232828 837037041 /nfs/dbraw/zinc/03/70/41/837037041.db2.gz MTVBTRXEAMXYGB-OAHLLOKOSA-N 2 2 348.491 0.294 20 30 ECEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC(=O)N[C@H](C)C2CC2)CC1 ZINC001267232828 837037050 /nfs/dbraw/zinc/03/70/50/837037050.db2.gz MTVBTRXEAMXYGB-OAHLLOKOSA-N 2 2 348.491 0.294 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267768675 838508681 /nfs/dbraw/zinc/50/86/81/838508681.db2.gz QNDKZWUTXXYYPU-HZPDHXFCSA-N 2 2 348.491 0.531 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267768675 838508689 /nfs/dbraw/zinc/50/86/89/838508689.db2.gz QNDKZWUTXXYYPU-HZPDHXFCSA-N 2 2 348.491 0.531 20 30 ECEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267989729 838934541 /nfs/dbraw/zinc/93/45/41/838934541.db2.gz FNDXGXYEYNZTDK-OLZOCXBDSA-N 2 2 341.415 0.656 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001268045123 839205654 /nfs/dbraw/zinc/20/56/54/839205654.db2.gz RNJNYHXTRADKLI-MRXNPFEDSA-N 2 2 348.491 0.697 20 30 ECEDLP C=CCNC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001268045123 839205664 /nfs/dbraw/zinc/20/56/64/839205664.db2.gz RNJNYHXTRADKLI-MRXNPFEDSA-N 2 2 348.491 0.697 20 30 ECEDLP Cn1c[nH+]cc1CCC(=O)NCC1([NH2+]CC(=O)NCC#N)CCCC1 ZINC001268057748 839240845 /nfs/dbraw/zinc/24/08/45/839240845.db2.gz XWOHYQGCFCQOOF-UHFFFAOYSA-N 2 2 346.435 0.011 20 30 ECEDLP C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1cc(C#N)n(C)c1 ZINC000375960587 267232223 /nfs/dbraw/zinc/23/22/23/267232223.db2.gz JJIJIOFCEKAAMC-YJBOKZPZSA-N 2 2 331.464 0.733 20 30 ECEDLP C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1cc(C#N)n(C)c1 ZINC000375960587 267232227 /nfs/dbraw/zinc/23/22/27/267232227.db2.gz JJIJIOFCEKAAMC-YJBOKZPZSA-N 2 2 331.464 0.733 20 30 ECEDLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000375960587 267232230 /nfs/dbraw/zinc/23/22/30/267232230.db2.gz JJIJIOFCEKAAMC-YJBOKZPZSA-N 2 2 331.464 0.733 20 30 ECEDLP C[C@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000375960587 267232233 /nfs/dbraw/zinc/23/22/33/267232233.db2.gz JJIJIOFCEKAAMC-YJBOKZPZSA-N 2 2 331.464 0.733 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2C(=O)OCC)CC1 ZINC000491635511 275717610 /nfs/dbraw/zinc/71/76/10/275717610.db2.gz VJYUMRIMBNCVSD-CVEARBPZSA-N 2 2 335.448 0.475 20 30 ECEDLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000072813332 436057586 /nfs/dbraw/zinc/05/75/86/436057586.db2.gz AIVMJYSOAGZUDX-GOSISDBHSA-N 2 2 342.443 0.923 20 30 ECEDLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000072813332 436057590 /nfs/dbraw/zinc/05/75/90/436057590.db2.gz AIVMJYSOAGZUDX-GOSISDBHSA-N 2 2 342.443 0.923 20 30 ECEDLP C[NH+]=C(NCCNC(=O)C1CC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261947535 436898805 /nfs/dbraw/zinc/89/88/05/436898805.db2.gz GIQZJESKHZDCHM-DZGCQCFKSA-N 2 2 332.452 0.868 20 30 ECEDLP COCCNC(=[NH2+])NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000264086377 437016583 /nfs/dbraw/zinc/01/65/83/437016583.db2.gz JOCFJQYDONPQTC-UHFFFAOYSA-N 2 2 336.436 0.448 20 30 ECEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000283680729 437031276 /nfs/dbraw/zinc/03/12/76/437031276.db2.gz WGNVRBZACJGYHA-UHFFFAOYSA-N 2 2 333.436 0.546 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285434874 437079483 /nfs/dbraw/zinc/07/94/83/437079483.db2.gz KWGVEWBXFRTKAT-GOSISDBHSA-N 2 2 342.487 0.874 20 30 ECEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285434874 437079487 /nfs/dbraw/zinc/07/94/87/437079487.db2.gz KWGVEWBXFRTKAT-GOSISDBHSA-N 2 2 342.487 0.874 20 30 ECEDLP CN(C)C(=O)NCC[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000330871041 437637922 /nfs/dbraw/zinc/63/79/22/437637922.db2.gz BWTQLUSRDWAVTK-UHFFFAOYSA-N 2 2 335.456 0.136 20 30 ECEDLP CN(C)C(=O)NCC[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000330871041 437637927 /nfs/dbraw/zinc/63/79/27/437637927.db2.gz BWTQLUSRDWAVTK-UHFFFAOYSA-N 2 2 335.456 0.136 20 30 ECEDLP CNC(=O)N[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000330955521 437657016 /nfs/dbraw/zinc/65/70/16/437657016.db2.gz UBQSOKBYYDUZFD-AWEZNQCLSA-N 2 2 325.457 0.183 20 30 ECEDLP CNC(=O)N[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000330955521 437657021 /nfs/dbraw/zinc/65/70/21/437657021.db2.gz UBQSOKBYYDUZFD-AWEZNQCLSA-N 2 2 325.457 0.183 20 30 ECEDLP C[N@H+](CCC#N)C[C@H](O)CNc1cccc(C[NH+]2CC[C@H](O)C2)c1 ZINC000575862672 438757073 /nfs/dbraw/zinc/75/70/73/438757073.db2.gz IXPYZLZOXLHRKQ-ZWKOTPCHSA-N 2 2 332.448 0.871 20 30 ECEDLP C[N@@H+](CCC#N)C[C@H](O)CNc1cccc(C[NH+]2CC[C@H](O)C2)c1 ZINC000575862672 438757076 /nfs/dbraw/zinc/75/70/76/438757076.db2.gz IXPYZLZOXLHRKQ-ZWKOTPCHSA-N 2 2 332.448 0.871 20 30 ECEDLP C[NH+](CCC#N)C[C@H](O)CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000575862672 438757077 /nfs/dbraw/zinc/75/70/77/438757077.db2.gz IXPYZLZOXLHRKQ-ZWKOTPCHSA-N 2 2 332.448 0.871 20 30 ECEDLP C[NH+](CCC#N)C[C@H](O)CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000575862672 438757080 /nfs/dbraw/zinc/75/70/80/438757080.db2.gz IXPYZLZOXLHRKQ-ZWKOTPCHSA-N 2 2 332.448 0.871 20 30 ECEDLP COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578606895 438938509 /nfs/dbraw/zinc/93/85/09/438938509.db2.gz NKNSPOGTMWKEFR-CQSZACIVSA-N 2 2 347.419 0.690 20 30 ECEDLP COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000578606895 438938514 /nfs/dbraw/zinc/93/85/14/438938514.db2.gz NKNSPOGTMWKEFR-CQSZACIVSA-N 2 2 347.419 0.690 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000491523369 439398769 /nfs/dbraw/zinc/39/87/69/439398769.db2.gz DLLCFEIMMLPPAF-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000491523369 439398776 /nfs/dbraw/zinc/39/87/76/439398776.db2.gz DLLCFEIMMLPPAF-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000491523369 439398783 /nfs/dbraw/zinc/39/87/83/439398783.db2.gz DLLCFEIMMLPPAF-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000491523369 439398787 /nfs/dbraw/zinc/39/87/87/439398787.db2.gz DLLCFEIMMLPPAF-KRWDZBQOSA-N 2 2 348.491 0.535 20 30 ECEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000491706615 439430692 /nfs/dbraw/zinc/43/06/92/439430692.db2.gz NMPLAKKRQQEXRZ-OAHLLOKOSA-N 2 2 332.452 0.753 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000491714123 439433174 /nfs/dbraw/zinc/43/31/74/439433174.db2.gz FMNYKUHDBJLNJJ-AEFFLSMTSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000491714123 439433178 /nfs/dbraw/zinc/43/31/78/439433178.db2.gz FMNYKUHDBJLNJJ-AEFFLSMTSA-N 2 2 331.460 0.797 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000491786205 439450967 /nfs/dbraw/zinc/45/09/67/439450967.db2.gz UMHGNNQFUJVEAI-QZTJIDSGSA-N 2 2 327.428 0.572 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000491786205 439450972 /nfs/dbraw/zinc/45/09/72/439450972.db2.gz UMHGNNQFUJVEAI-QZTJIDSGSA-N 2 2 327.428 0.572 20 30 ECEDLP C[NH+]1CCN(C(=O)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000586789340 439661788 /nfs/dbraw/zinc/66/17/88/439661788.db2.gz IQCLGQHLQZKVTK-UHFFFAOYSA-N 2 2 341.459 0.891 20 30 ECEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cccnc1C#N ZINC000594822646 439621634 /nfs/dbraw/zinc/62/16/34/439621634.db2.gz XSZOFDDJLPVHNW-UHFFFAOYSA-N 2 2 325.438 0.115 20 30 ECEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cccnc1C#N ZINC000594822646 439621636 /nfs/dbraw/zinc/62/16/36/439621636.db2.gz XSZOFDDJLPVHNW-UHFFFAOYSA-N 2 2 325.438 0.115 20 30 ECEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000615791728 439806408 /nfs/dbraw/zinc/80/64/08/439806408.db2.gz TXSIDAPTWGEFSK-HOTGVXAUSA-N 2 2 333.480 0.649 20 30 ECEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000615791728 439806409 /nfs/dbraw/zinc/80/64/09/439806409.db2.gz TXSIDAPTWGEFSK-HOTGVXAUSA-N 2 2 333.480 0.649 20 30 ECEDLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078005394 782118024 /nfs/dbraw/zinc/11/80/24/782118024.db2.gz BZSMDDKGZMYODE-BMGDILEWSA-N 2 2 342.443 0.561 20 30 ECEDLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078005394 782118030 /nfs/dbraw/zinc/11/80/30/782118030.db2.gz BZSMDDKGZMYODE-BMGDILEWSA-N 2 2 342.443 0.561 20 30 ECEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078005394 782118036 /nfs/dbraw/zinc/11/80/36/782118036.db2.gz BZSMDDKGZMYODE-BMGDILEWSA-N 2 2 342.443 0.561 20 30 ECEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2O)C1 ZINC001078005394 782118040 /nfs/dbraw/zinc/11/80/40/782118040.db2.gz BZSMDDKGZMYODE-BMGDILEWSA-N 2 2 342.443 0.561 20 30 ECEDLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078005890 782118277 /nfs/dbraw/zinc/11/82/77/782118277.db2.gz LZSDFWWKPCVZKT-IPMKNSEASA-N 2 2 341.455 0.541 20 30 ECEDLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078005890 782118281 /nfs/dbraw/zinc/11/82/81/782118281.db2.gz LZSDFWWKPCVZKT-IPMKNSEASA-N 2 2 341.455 0.541 20 30 ECEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078005890 782118286 /nfs/dbraw/zinc/11/82/86/782118286.db2.gz LZSDFWWKPCVZKT-IPMKNSEASA-N 2 2 341.455 0.541 20 30 ECEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001078005890 782118290 /nfs/dbraw/zinc/11/82/90/782118290.db2.gz LZSDFWWKPCVZKT-IPMKNSEASA-N 2 2 341.455 0.541 20 30 ECEDLP C[N@@H+]1CCO[C@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000329131033 546015857 /nfs/dbraw/zinc/01/58/57/546015857.db2.gz XNWSYUHWRTUUTD-OAHLLOKOSA-N 2 2 340.468 0.466 20 30 ECEDLP C[N@H+]1CCO[C@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000329131033 546015863 /nfs/dbraw/zinc/01/58/63/546015863.db2.gz XNWSYUHWRTUUTD-OAHLLOKOSA-N 2 2 340.468 0.466 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)CC1 ZINC000748814224 579329059 /nfs/dbraw/zinc/32/90/59/579329059.db2.gz WTEKKYDXVUAHDF-KRWDZBQOSA-N 2 2 341.459 0.742 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)CC1 ZINC000748814224 579329060 /nfs/dbraw/zinc/32/90/60/579329060.db2.gz WTEKKYDXVUAHDF-KRWDZBQOSA-N 2 2 341.459 0.742 20 30 ECEDLP C=CC[NH+]1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000735425679 578383986 /nfs/dbraw/zinc/38/39/86/578383986.db2.gz DKYCUNVPENCGIU-GFCCVEGCSA-N 2 2 343.439 0.345 20 30 ECEDLP Cc1cc(C=NNC2=[NH+]C[C@H](C)N2)c(C)n1CC[NH+]1CCOCC1 ZINC000779806081 579321095 /nfs/dbraw/zinc/32/10/95/579321095.db2.gz ZVHFOPLOBSDGRS-ZDUSSCGKSA-N 2 2 332.452 0.708 20 30 ECEDLP C[NH+]1CCN([NH+]=Cc2c(N3CCOCC3)nc3ccccn32)CC1 ZINC000741810924 579778127 /nfs/dbraw/zinc/77/81/27/579778127.db2.gz NDLXACOCUMECOE-UHFFFAOYSA-N 2 2 328.420 0.752 20 30 ECEDLP C=CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903722285 586801548 /nfs/dbraw/zinc/80/15/48/586801548.db2.gz KDCPLWWHFAVUAF-CABCVRRESA-N 2 2 328.478 0.820 20 30 ECEDLP C=CC[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903722285 586801551 /nfs/dbraw/zinc/80/15/51/586801551.db2.gz KDCPLWWHFAVUAF-CABCVRRESA-N 2 2 328.478 0.820 20 30 ECEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000801570984 586999866 /nfs/dbraw/zinc/99/98/66/586999866.db2.gz TUGDPORSEJMCBV-QGZVFWFLSA-N 2 2 327.428 0.747 20 30 ECEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000884404835 590820974 /nfs/dbraw/zinc/82/09/74/590820974.db2.gz YHPDIJARGGNLEA-OWCLPIDISA-N 2 2 349.406 0.834 20 30 ECEDLP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC2)C1 ZINC000941465268 610333970 /nfs/dbraw/zinc/33/39/70/610333970.db2.gz ODEBVLATCATCBC-MRXNPFEDSA-N 2 2 341.459 0.297 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408360 610722548 /nfs/dbraw/zinc/72/25/48/610722548.db2.gz CEAQNXUZDCLATR-ROUUACIJSA-N 2 2 344.503 0.713 20 30 ECEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408360 610722549 /nfs/dbraw/zinc/72/25/49/610722549.db2.gz CEAQNXUZDCLATR-ROUUACIJSA-N 2 2 344.503 0.713 20 30 ECEDLP