smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)n2c1 ZINC000123826900 138321701 /nfs/dbraw/zinc/32/17/01/138321701.db2.gz SKSUSFMZHOIIFX-INIZCTEOSA-N 2 1 339.443 1.796 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000374314066 250259831 /nfs/dbraw/zinc/25/98/31/250259831.db2.gz VXPNWARKLFPEET-MOPGFXCFSA-N 2 1 325.456 1.546 20 30 EDEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000424176261 252154367 /nfs/dbraw/zinc/15/43/67/252154367.db2.gz RRNLDPZIJLADKA-ROUUACIJSA-N 2 1 344.459 1.415 20 30 EDEDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000367169605 154029053 /nfs/dbraw/zinc/02/90/53/154029053.db2.gz BDTZZEJVKQMYEL-LJQANCHMSA-N 2 1 342.487 1.896 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN(C)C(=O)OC(C)(C)C ZINC000170905543 442286847 /nfs/dbraw/zinc/28/68/47/442286847.db2.gz VGBCHCQJQXILFW-AWEZNQCLSA-N 2 1 341.500 1.632 20 30 EDEDMP CC(C)c1cccc(NC(=[NH2+])NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000170912760 442288250 /nfs/dbraw/zinc/28/82/50/442288250.db2.gz WWMVPCCUMCDQQD-UHFFFAOYSA-N 2 1 331.464 1.701 20 30 EDEDMP COc1cc(C#N)ccc1OCCN1CCC([N@@H+](C)CCO)CC1 ZINC000265800110 442926029 /nfs/dbraw/zinc/92/60/29/442926029.db2.gz BUZVQPAUSGDSNZ-UHFFFAOYSA-N 2 1 333.432 1.334 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc2cc(OC)ccc2n1C ZINC000184657959 443056380 /nfs/dbraw/zinc/05/63/80/443056380.db2.gz HCCZPZMGOHCNNP-CYBMUJFWSA-N 2 1 344.463 1.471 20 30 EDEDMP CC1CCN(C(=[NH2+])NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000264085901 443248405 /nfs/dbraw/zinc/24/84/05/443248405.db2.gz JUTCGYDSHPCJBW-UHFFFAOYSA-N 2 1 345.495 1.035 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1OCC1CC1 ZINC000267464614 443467181 /nfs/dbraw/zinc/46/71/81/443467181.db2.gz WBMPYCBZQBTMNB-UHFFFAOYSA-N 2 1 346.475 1.602 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCOc2ccccc21 ZINC000267471570 443469022 /nfs/dbraw/zinc/46/90/22/443469022.db2.gz XYQOXFWLJDBBIZ-HNNXBMFYSA-N 2 1 332.448 1.179 20 30 EDEDMP CCOC(=O)N[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)CC(C)C ZINC000303888301 444237575 /nfs/dbraw/zinc/23/75/75/444237575.db2.gz OWAPZCKJUKSDKF-CABCVRRESA-N 2 1 341.500 1.536 20 30 EDEDMP C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000330600811 445055394 /nfs/dbraw/zinc/05/53/94/445055394.db2.gz FZHUQMVHTNIKOX-GOEBONIOSA-N 2 1 326.485 1.162 20 30 EDEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000364351623 445912239 /nfs/dbraw/zinc/91/22/39/445912239.db2.gz AZBOUQGHWYTOAR-MRXNPFEDSA-N 2 1 329.448 1.886 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000491265651 447976572 /nfs/dbraw/zinc/97/65/72/447976572.db2.gz MFFXXTURPWCNSF-AZUAARDMSA-N 2 1 329.488 1.993 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000491265651 447976576 /nfs/dbraw/zinc/97/65/76/447976576.db2.gz MFFXXTURPWCNSF-AZUAARDMSA-N 2 1 329.488 1.993 20 30 EDEDMP N#CCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000571994163 448255105 /nfs/dbraw/zinc/25/51/05/448255105.db2.gz KXQSIEHHUFASEN-GOSISDBHSA-N 2 1 329.444 1.709 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000566108609 448390580 /nfs/dbraw/zinc/39/05/80/448390580.db2.gz WTWIPGIGOBRTAW-QGZVFWFLSA-N 2 1 349.431 1.965 20 30 EDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@](C)(C#N)COC)CC2)CC1 ZINC000572615300 448424361 /nfs/dbraw/zinc/42/43/61/448424361.db2.gz WRNOGBQNXLEIEP-SFHVURJKSA-N 2 1 336.480 1.228 20 30 EDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579228309 448745201 /nfs/dbraw/zinc/74/52/01/448745201.db2.gz HZQPILKNWNFKQH-RBUKOAKNSA-N 2 1 330.476 1.304 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000519538714 448781240 /nfs/dbraw/zinc/78/12/40/448781240.db2.gz IZLIKDHJSQQVBR-SOLBZPMBSA-N 2 1 325.497 1.087 20 30 EDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCC#N)CCC#N)CC2)CC1 ZINC000521895736 449025236 /nfs/dbraw/zinc/02/52/36/449025236.db2.gz GDDVNXWYRSCOFH-UHFFFAOYSA-N 2 1 345.491 1.839 20 30 EDEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000602087518 449333853 /nfs/dbraw/zinc/33/38/53/449333853.db2.gz IGOWUVCKFNRBOF-SFHVURJKSA-N 2 1 328.460 1.790 20 30 EDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000594425437 449509040 /nfs/dbraw/zinc/50/90/40/449509040.db2.gz IYYOVDIJEFUANR-MRXNPFEDSA-N 2 1 336.480 1.549 20 30 EDEDMP Cc1nsc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C#N ZINC000596902489 449712213 /nfs/dbraw/zinc/71/22/13/449712213.db2.gz VLISRSIMXDKZAF-NSHDSACASA-N 2 1 338.481 1.717 20 30 EDEDMP Cc1nsc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C#N ZINC000596902489 449712218 /nfs/dbraw/zinc/71/22/18/449712218.db2.gz VLISRSIMXDKZAF-NSHDSACASA-N 2 1 338.481 1.717 20 30 EDEDMP N#CC1(NC(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000602847265 449854339 /nfs/dbraw/zinc/85/43/39/449854339.db2.gz VFUSPFPFIQRQTB-UHFFFAOYSA-N 2 1 341.459 1.936 20 30 EDEDMP N#CC1(NC(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000602847265 449854344 /nfs/dbraw/zinc/85/43/44/449854344.db2.gz VFUSPFPFIQRQTB-UHFFFAOYSA-N 2 1 341.459 1.936 20 30 EDEDMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609284202 449997622 /nfs/dbraw/zinc/99/76/22/449997622.db2.gz KFBLOPRHJXBUIF-SFHVURJKSA-N 2 1 331.460 1.908 20 30 EDEDMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609284202 449997628 /nfs/dbraw/zinc/99/76/28/449997628.db2.gz KFBLOPRHJXBUIF-SFHVURJKSA-N 2 1 331.460 1.908 20 30 EDEDMP C[C@H](C(=O)NC1(C#N)CCN(C)CC1)N1CCc2ccccc2C1 ZINC000609548093 450048789 /nfs/dbraw/zinc/04/87/89/450048789.db2.gz PCUJBTWUUDNTGG-OAHLLOKOSA-N 2 1 326.444 1.537 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000900818987 592136700 /nfs/dbraw/zinc/13/67/00/592136700.db2.gz PVWLFJSKLLUPLY-HKUYNNGSSA-N 2 1 345.487 1.900 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000900818987 592136702 /nfs/dbraw/zinc/13/67/02/592136702.db2.gz PVWLFJSKLLUPLY-HKUYNNGSSA-N 2 1 345.487 1.900 20 30 EDEDMP CO[C@H](CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C)C1CC1 ZINC000912506549 593101392 /nfs/dbraw/zinc/10/13/92/593101392.db2.gz PWKZBMWBPFRFPI-MRXNPFEDSA-N 2 1 340.512 1.467 20 30 EDEDMP COCC[N@H+]1CCC[C@@H]1CNC(NC[C@@H]1CCCO1)=[NH+]C(C)(C)C ZINC000912508970 593101460 /nfs/dbraw/zinc/10/14/60/593101460.db2.gz UGKURBJWXGJHRV-CVEARBPZSA-N 2 1 340.512 1.610 20 30 EDEDMP CC(=NNCCC[NH+]1CCOCC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814923886 593607162 /nfs/dbraw/zinc/60/71/62/593607162.db2.gz QJFGVAXOMDHRFH-UHFFFAOYSA-N 2 1 330.476 1.411 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000819024771 593734504 /nfs/dbraw/zinc/73/45/04/593734504.db2.gz VCLLXSFZJAYJPR-MRXNPFEDSA-N 2 1 341.496 1.892 20 30 EDEDMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000852868266 595587402 /nfs/dbraw/zinc/58/74/02/595587402.db2.gz BPYDJEZCLDHXDD-FUHWJXTLSA-N 2 1 335.492 1.243 20 30 EDEDMP CN(C)c1ccc(C#N)cc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000865451598 596579096 /nfs/dbraw/zinc/57/90/96/596579096.db2.gz SQMKEAFEIVKFAJ-UHFFFAOYSA-N 2 1 343.519 1.987 20 30 EDEDMP C#CCN(C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914074732 695069851 /nfs/dbraw/zinc/06/98/51/695069851.db2.gz LJLFODAYDCXOPX-DLBZAZTESA-N 2 1 334.508 1.846 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000921320864 697549381 /nfs/dbraw/zinc/54/93/81/697549381.db2.gz USUGYUZELQIZCY-UHFFFAOYSA-N 2 1 346.450 1.654 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943515117 698429108 /nfs/dbraw/zinc/42/91/08/698429108.db2.gz GLUZIJIZLOSYQG-FUHWJXTLSA-N 2 1 347.507 1.851 20 30 EDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943772208 698877552 /nfs/dbraw/zinc/87/75/52/698877552.db2.gz QYEYYVRYHUFXHL-WMLDXEAASA-N 2 1 325.416 1.894 20 30 EDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943772208 698877557 /nfs/dbraw/zinc/87/75/57/698877557.db2.gz QYEYYVRYHUFXHL-WMLDXEAASA-N 2 1 325.416 1.894 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000941677119 701615803 /nfs/dbraw/zinc/61/58/03/701615803.db2.gz LIBHAAMIUKXKDG-IBGZPJMESA-N 2 1 348.535 1.511 20 30 EDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000940795884 700914977 /nfs/dbraw/zinc/91/49/77/700914977.db2.gz WJSMXVCHAYPEOZ-QZTJIDSGSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C(C)(C)C1 ZINC000940795884 700914978 /nfs/dbraw/zinc/91/49/78/700914978.db2.gz WJSMXVCHAYPEOZ-QZTJIDSGSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C(C)(C)C1 ZINC000940795884 700914979 /nfs/dbraw/zinc/91/49/79/700914979.db2.gz WJSMXVCHAYPEOZ-QZTJIDSGSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#CC)CC2(C)C)CC1 ZINC000941239122 701429506 /nfs/dbraw/zinc/42/95/06/701429506.db2.gz ITGWYMWQNDKRME-GOSISDBHSA-N 2 1 329.488 1.572 20 30 EDEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941436790 701540137 /nfs/dbraw/zinc/54/01/37/701540137.db2.gz GPKGXZJBXYNCTR-SFHVURJKSA-N 2 1 346.519 1.101 20 30 EDEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941436790 701540138 /nfs/dbraw/zinc/54/01/38/701540138.db2.gz GPKGXZJBXYNCTR-SFHVURJKSA-N 2 1 346.519 1.101 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)C1 ZINC000941456893 701543125 /nfs/dbraw/zinc/54/31/25/701543125.db2.gz VJHBERKTJMCJSB-FUHWJXTLSA-N 2 1 332.492 1.018 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)C1 ZINC000941456893 701543126 /nfs/dbraw/zinc/54/31/26/701543126.db2.gz VJHBERKTJMCJSB-FUHWJXTLSA-N 2 1 332.492 1.018 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944045812 702003017 /nfs/dbraw/zinc/00/30/17/702003017.db2.gz FGRJIAUQUOXMJI-LPHOPBHVSA-N 2 1 331.504 1.958 20 30 EDEDMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031977790 702037258 /nfs/dbraw/zinc/03/72/58/702037258.db2.gz IKQWQUJOIBHEQY-LPHOPBHVSA-N 2 1 325.456 1.284 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031977790 702037264 /nfs/dbraw/zinc/03/72/64/702037264.db2.gz IKQWQUJOIBHEQY-LPHOPBHVSA-N 2 1 325.456 1.284 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC000996650346 702940232 /nfs/dbraw/zinc/94/02/32/702940232.db2.gz WEJVEVZTERHIGR-KGLIPLIRSA-N 2 1 329.872 1.286 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC000996650346 702940235 /nfs/dbraw/zinc/94/02/35/702940235.db2.gz WEJVEVZTERHIGR-KGLIPLIRSA-N 2 1 329.872 1.286 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996684277 702982057 /nfs/dbraw/zinc/98/20/57/702982057.db2.gz HLBOHBIAFPYYFI-SFHVURJKSA-N 2 1 326.444 1.260 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996684277 702982060 /nfs/dbraw/zinc/98/20/60/702982060.db2.gz HLBOHBIAFPYYFI-SFHVURJKSA-N 2 1 326.444 1.260 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nocc2C)CC1 ZINC000996685396 702983186 /nfs/dbraw/zinc/98/31/86/702983186.db2.gz PBIOMZRNYUDZTO-KRWDZBQOSA-N 2 1 330.432 1.161 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nocc2C)CC1 ZINC000996685396 702983188 /nfs/dbraw/zinc/98/31/88/702983188.db2.gz PBIOMZRNYUDZTO-KRWDZBQOSA-N 2 1 330.432 1.161 20 30 EDEDMP C#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000996782590 703077599 /nfs/dbraw/zinc/07/75/99/703077599.db2.gz MVJMKZFKDUUENQ-CTWPCTMYSA-N 2 1 346.519 1.149 20 30 EDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942718221 703232144 /nfs/dbraw/zinc/23/21/44/703232144.db2.gz DBQSUIICOPHZBN-VQIMIIECSA-N 2 1 327.472 1.864 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCC1 ZINC001032453717 703631125 /nfs/dbraw/zinc/63/11/25/703631125.db2.gz LFDMGJSBJCKRKH-FHWLQOOXSA-N 2 1 329.488 1.949 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCC1 ZINC001032453717 703631126 /nfs/dbraw/zinc/63/11/26/703631126.db2.gz LFDMGJSBJCKRKH-FHWLQOOXSA-N 2 1 329.488 1.949 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001032453717 703631127 /nfs/dbraw/zinc/63/11/27/703631127.db2.gz LFDMGJSBJCKRKH-FHWLQOOXSA-N 2 1 329.488 1.949 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001032453717 703631128 /nfs/dbraw/zinc/63/11/28/703631128.db2.gz LFDMGJSBJCKRKH-FHWLQOOXSA-N 2 1 329.488 1.949 20 30 EDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597721 704293031 /nfs/dbraw/zinc/29/30/31/704293031.db2.gz HSYNSECKIMGERI-FCGDIQPGSA-N 2 1 347.503 1.596 20 30 EDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597721 704293033 /nfs/dbraw/zinc/29/30/33/704293033.db2.gz HSYNSECKIMGERI-FCGDIQPGSA-N 2 1 347.503 1.596 20 30 EDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597721 704293034 /nfs/dbraw/zinc/29/30/34/704293034.db2.gz HSYNSECKIMGERI-FCGDIQPGSA-N 2 1 347.503 1.596 20 30 EDEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001004465275 704457124 /nfs/dbraw/zinc/45/71/24/704457124.db2.gz CAYZFHSJSZYZCF-NZSAHSFTSA-N 2 1 349.519 1.985 20 30 EDEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001004465275 704457125 /nfs/dbraw/zinc/45/71/25/704457125.db2.gz CAYZFHSJSZYZCF-NZSAHSFTSA-N 2 1 349.519 1.985 20 30 EDEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004465275 704457126 /nfs/dbraw/zinc/45/71/26/704457126.db2.gz CAYZFHSJSZYZCF-NZSAHSFTSA-N 2 1 349.519 1.985 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004465275 704457127 /nfs/dbraw/zinc/45/71/27/704457127.db2.gz CAYZFHSJSZYZCF-NZSAHSFTSA-N 2 1 349.519 1.985 20 30 EDEDMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998550389 705986374 /nfs/dbraw/zinc/98/63/74/705986374.db2.gz LYZIJHFBPJKOLV-SEEARECTSA-N 2 1 332.473 1.793 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000998718009 706149942 /nfs/dbraw/zinc/14/99/42/706149942.db2.gz AFVHLHGPFDHATE-FUHWJXTLSA-N 2 1 344.434 1.872 20 30 EDEDMP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998724427 706155680 /nfs/dbraw/zinc/15/56/80/706155680.db2.gz UCOCCWBMIZFZMG-OLZOCXBDSA-N 2 1 330.270 1.570 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998725159 706159757 /nfs/dbraw/zinc/15/97/57/706159757.db2.gz VMQAWZGSGXBKTF-BBRMVZONSA-N 2 1 332.473 1.795 20 30 EDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999353878 706842789 /nfs/dbraw/zinc/84/27/89/706842789.db2.gz OAQSADWQOFKMTN-FUHWJXTLSA-N 2 1 335.492 1.787 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncccc2C)C1 ZINC000999392133 706905257 /nfs/dbraw/zinc/90/52/57/706905257.db2.gz QBYCQRVZMIAACO-HKUYNNGSSA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncccc2C)C1 ZINC000999392133 706905259 /nfs/dbraw/zinc/90/52/59/706905259.db2.gz QBYCQRVZMIAACO-HKUYNNGSSA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CC[C@@H]2C1 ZINC000946740155 707329071 /nfs/dbraw/zinc/32/90/71/707329071.db2.gz RICNANXANRIRGS-KSZLIROESA-N 2 1 340.471 1.558 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)CC[C@@H]2C1 ZINC000946740155 707329074 /nfs/dbraw/zinc/32/90/74/707329074.db2.gz RICNANXANRIRGS-KSZLIROESA-N 2 1 340.471 1.558 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033277688 707343567 /nfs/dbraw/zinc/34/35/67/707343567.db2.gz GKSZDZQWRABHGV-ISXWCOSWSA-N 2 1 333.476 1.349 20 30 EDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001757247 708280910 /nfs/dbraw/zinc/28/09/10/708280910.db2.gz PNJPBGWCPIAJTK-GOSISDBHSA-N 2 1 337.508 1.890 20 30 EDEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394732 709931470 /nfs/dbraw/zinc/93/14/70/709931470.db2.gz QGRBUPWFFPBWFK-IRXDYDNUSA-N 2 1 328.460 1.748 20 30 EDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394732 709931476 /nfs/dbraw/zinc/93/14/76/709931476.db2.gz QGRBUPWFFPBWFK-IRXDYDNUSA-N 2 1 328.460 1.748 20 30 EDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001004522485 711921390 /nfs/dbraw/zinc/92/13/90/711921390.db2.gz NVCRKYFHIHBDKB-RTBURBONSA-N 2 1 347.503 1.432 20 30 EDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001004522485 711921392 /nfs/dbraw/zinc/92/13/92/711921392.db2.gz NVCRKYFHIHBDKB-RTBURBONSA-N 2 1 347.503 1.432 20 30 EDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004522485 711921393 /nfs/dbraw/zinc/92/13/93/711921393.db2.gz NVCRKYFHIHBDKB-RTBURBONSA-N 2 1 347.503 1.432 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004522485 711921394 /nfs/dbraw/zinc/92/13/94/711921394.db2.gz NVCRKYFHIHBDKB-RTBURBONSA-N 2 1 347.503 1.432 20 30 EDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nccn43)CC[C@@H]2C1 ZINC000946623150 711921763 /nfs/dbraw/zinc/92/17/63/711921763.db2.gz DZRSRPSSTPQYTE-FGTMMUONSA-N 2 1 340.471 1.954 20 30 EDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623150 711921765 /nfs/dbraw/zinc/92/17/65/711921765.db2.gz DZRSRPSSTPQYTE-FGTMMUONSA-N 2 1 340.471 1.954 20 30 EDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623150 711921767 /nfs/dbraw/zinc/92/17/67/711921767.db2.gz DZRSRPSSTPQYTE-FGTMMUONSA-N 2 1 340.471 1.954 20 30 EDEDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000245520116 139077740 /nfs/dbraw/zinc/07/77/40/139077740.db2.gz JIUWLSJKORTSCO-WOJBJXKFSA-N 2 1 342.487 1.694 20 30 EDEDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000245520116 139077741 /nfs/dbraw/zinc/07/77/41/139077741.db2.gz JIUWLSJKORTSCO-WOJBJXKFSA-N 2 1 342.487 1.694 20 30 EDEDMP C[NH+](CC#CC[N@H+](C)C[C@H]1CCCC[C@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000341904127 250002696 /nfs/dbraw/zinc/00/26/96/250002696.db2.gz QJRRUABCZIHIBT-FGYAAKKASA-N 2 1 336.520 1.956 20 30 EDEDMP C[NH+](CC#CC[N@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@H]1CCCC[C@H]1O ZINC000341904127 250002697 /nfs/dbraw/zinc/00/26/97/250002697.db2.gz QJRRUABCZIHIBT-FGYAAKKASA-N 2 1 336.520 1.956 20 30 EDEDMP C[NH+](CC#CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@H]1CCCC[C@H]1O ZINC000341904127 250002700 /nfs/dbraw/zinc/00/27/00/250002700.db2.gz QJRRUABCZIHIBT-FGYAAKKASA-N 2 1 336.520 1.956 20 30 EDEDMP C[C@H](C[NH3+])CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418475045 251373992 /nfs/dbraw/zinc/37/39/92/251373992.db2.gz QGQLRTLMDXHMEZ-OAHLLOKOSA-N 2 1 329.448 1.370 20 30 EDEDMP COC[C@H](C)NC(=[NH2+])NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000104162854 285339916 /nfs/dbraw/zinc/33/99/16/285339916.db2.gz NSMJOJMNZGGUAF-HRCADAONSA-N 2 1 348.491 1.735 20 30 EDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000360928131 162300029 /nfs/dbraw/zinc/30/00/29/162300029.db2.gz RCNBWKJIQCPYQB-IZBJGVDFSA-N 2 1 341.455 1.714 20 30 EDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000360928131 162300035 /nfs/dbraw/zinc/30/00/35/162300035.db2.gz RCNBWKJIQCPYQB-IZBJGVDFSA-N 2 1 341.455 1.714 20 30 EDEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000360928131 162300038 /nfs/dbraw/zinc/30/00/38/162300038.db2.gz RCNBWKJIQCPYQB-IZBJGVDFSA-N 2 1 341.455 1.714 20 30 EDEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000360928131 162300042 /nfs/dbraw/zinc/30/00/42/162300042.db2.gz RCNBWKJIQCPYQB-IZBJGVDFSA-N 2 1 341.455 1.714 20 30 EDEDMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CC#CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000341880621 288305099 /nfs/dbraw/zinc/30/50/99/288305099.db2.gz FVBWDFBZFFQOFG-IYWMVGAKSA-N 2 1 330.520 1.327 20 30 EDEDMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC#CCN1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000341880621 288305100 /nfs/dbraw/zinc/30/51/00/288305100.db2.gz FVBWDFBZFFQOFG-IYWMVGAKSA-N 2 1 330.520 1.327 20 30 EDEDMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC#CCN1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000341880621 288305101 /nfs/dbraw/zinc/30/51/01/288305101.db2.gz FVBWDFBZFFQOFG-IYWMVGAKSA-N 2 1 330.520 1.327 20 30 EDEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000365391784 290219310 /nfs/dbraw/zinc/21/93/10/290219310.db2.gz MQSVYRCNEARWEQ-MRXNPFEDSA-N 2 1 329.444 1.778 20 30 EDEDMP C[C@](C#N)(NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000173959934 441870383 /nfs/dbraw/zinc/87/03/83/441870383.db2.gz FEEMDWAVXNJPDZ-LJQANCHMSA-N 2 1 348.491 1.372 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)N(C)Cc1ccccc1 ZINC000170913630 442287770 /nfs/dbraw/zinc/28/77/70/442287770.db2.gz WRPNUAGTUAFRNT-INIZCTEOSA-N 2 1 331.464 1.034 20 30 EDEDMP Cc1oc2ccccc2c1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000184824599 443082509 /nfs/dbraw/zinc/08/25/09/443082509.db2.gz OIODEJCSPODKPO-UHFFFAOYSA-N 2 1 330.432 1.868 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(C)OCCc2sccc21 ZINC000262349564 443191093 /nfs/dbraw/zinc/19/10/93/443191093.db2.gz YPGZDHHWOQSSLM-GUYCJALGSA-N 2 1 336.505 1.925 20 30 EDEDMP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NC[C@H]1CC[N@@H+](C)C1 ZINC000262502246 443198499 /nfs/dbraw/zinc/19/84/99/443198499.db2.gz KTEDTDMSDXDEEN-SECBINFHSA-N 2 1 335.399 1.779 20 30 EDEDMP C=CC[N@@H+](CCOC)[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000191130042 443246632 /nfs/dbraw/zinc/24/66/32/443246632.db2.gz RYVRIWHEOSTSIG-INIZCTEOSA-N 2 1 332.448 1.253 20 30 EDEDMP C=CC[N@H+](CCOC)[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000191130042 443246635 /nfs/dbraw/zinc/24/66/35/443246635.db2.gz RYVRIWHEOSTSIG-INIZCTEOSA-N 2 1 332.448 1.253 20 30 EDEDMP COC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264091686 443248740 /nfs/dbraw/zinc/24/87/40/443248740.db2.gz LDCUJPMGVWMSPT-AEFFLSMTSA-N 2 1 347.507 1.304 20 30 EDEDMP COC[C@@H](C)NC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000264091686 443248745 /nfs/dbraw/zinc/24/87/45/443248745.db2.gz LDCUJPMGVWMSPT-AEFFLSMTSA-N 2 1 347.507 1.304 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](n3cc[nH+]c3CC)C2)CC1 ZINC000264275874 443258383 /nfs/dbraw/zinc/25/83/83/443258383.db2.gz CGCRLLVOZUZAIS-QGZVFWFLSA-N 2 1 328.460 1.954 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1OCC(F)F ZINC000270643894 443477667 /nfs/dbraw/zinc/47/76/67/443477667.db2.gz YZNYHYSGDJNBFN-ZDUSSCGKSA-N 2 1 341.406 1.614 20 30 EDEDMP CCCNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267438501 443457573 /nfs/dbraw/zinc/45/75/73/443457573.db2.gz OLVGXGYNCHQHKA-INIZCTEOSA-N 2 1 331.464 1.198 20 30 EDEDMP CCCNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267438504 443457721 /nfs/dbraw/zinc/45/77/21/443457721.db2.gz OLVGXGYNCHQHKA-MRXNPFEDSA-N 2 1 331.464 1.198 20 30 EDEDMP CC1(c2ccccc2)CC(NC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000267469484 443468144 /nfs/dbraw/zinc/46/81/44/443468144.db2.gz XLPQEMWHUJNZIQ-UHFFFAOYSA-N 2 1 330.476 1.733 20 30 EDEDMP C[N@@H+](CCN1CCN(CCOCCC#N)CC1)Cc1ccccc1 ZINC000293001718 443899173 /nfs/dbraw/zinc/89/91/73/443899173.db2.gz GTRLHQXPYCGYHF-UHFFFAOYSA-N 2 1 330.476 1.666 20 30 EDEDMP C[N@@H+](CCN1CC[NH+](CCOCCC#N)CC1)Cc1ccccc1 ZINC000293001718 443899177 /nfs/dbraw/zinc/89/91/77/443899177.db2.gz GTRLHQXPYCGYHF-UHFFFAOYSA-N 2 1 330.476 1.666 20 30 EDEDMP CCN1CCOC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000329487438 444600609 /nfs/dbraw/zinc/60/06/09/444600609.db2.gz XUBIGSSFKFFIAK-ZWKOTPCHSA-N 2 1 347.459 1.430 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330233790 444900023 /nfs/dbraw/zinc/90/00/23/444900023.db2.gz SHNBGHYJQYFTMX-BRWVUGGUSA-N 2 1 338.496 1.352 20 30 EDEDMP C[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)cc1F ZINC000358566656 445654541 /nfs/dbraw/zinc/65/45/41/445654541.db2.gz BJATXPVWENLIQC-UKRRQHHQSA-N 2 1 332.423 1.935 20 30 EDEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000364351622 445913338 /nfs/dbraw/zinc/91/33/38/445913338.db2.gz AZBOUQGHWYTOAR-INIZCTEOSA-N 2 1 329.448 1.886 20 30 EDEDMP OCC[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421020003 446991130 /nfs/dbraw/zinc/99/11/30/446991130.db2.gz QPZULBPHBCVMSO-PMACEKPBSA-N 2 1 336.520 1.959 20 30 EDEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000602048036 449299510 /nfs/dbraw/zinc/29/95/10/449299510.db2.gz UQULMPNSHRTATO-IBGZPJMESA-N 2 1 340.471 1.934 20 30 EDEDMP C[NH+]1CC[C@@H](CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000602048036 449299515 /nfs/dbraw/zinc/29/95/15/449299515.db2.gz UQULMPNSHRTATO-IBGZPJMESA-N 2 1 340.471 1.934 20 30 EDEDMP C[NH+]1CC[C@@H](CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000602048036 449299520 /nfs/dbraw/zinc/29/95/20/449299520.db2.gz UQULMPNSHRTATO-IBGZPJMESA-N 2 1 340.471 1.934 20 30 EDEDMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600717348 449514647 /nfs/dbraw/zinc/51/46/47/449514647.db2.gz KJXITHGEMMMSRS-IBGZPJMESA-N 2 1 342.487 1.578 20 30 EDEDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600722555 449518388 /nfs/dbraw/zinc/51/83/88/449518388.db2.gz HDGSXYZXOMBVDJ-KRWDZBQOSA-N 2 1 328.416 1.873 20 30 EDEDMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594443333 449520755 /nfs/dbraw/zinc/52/07/55/449520755.db2.gz DGHHWTQXILXVRO-CVEARBPZSA-N 2 1 330.432 1.579 20 30 EDEDMP CO[C@H]1C[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)[N@H+](C)C1 ZINC000329048860 486140862 /nfs/dbraw/zinc/14/08/62/486140862.db2.gz KFHVYSZWAFCPOU-SQNIBIBYSA-N 2 1 347.459 1.081 20 30 EDEDMP CO[C@H]1C[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)[N@@H+](C)C1 ZINC000329048860 486140870 /nfs/dbraw/zinc/14/08/70/486140870.db2.gz KFHVYSZWAFCPOU-SQNIBIBYSA-N 2 1 347.459 1.081 20 30 EDEDMP CO[C@H]1C[C@@H](C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[NH+](C)C1 ZINC000329048860 486140876 /nfs/dbraw/zinc/14/08/76/486140876.db2.gz KFHVYSZWAFCPOU-SQNIBIBYSA-N 2 1 347.459 1.081 20 30 EDEDMP CO[C@H]1C[C@@H](C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[NH+](C)C1 ZINC000329048860 486140881 /nfs/dbraw/zinc/14/08/81/486140881.db2.gz KFHVYSZWAFCPOU-SQNIBIBYSA-N 2 1 347.459 1.081 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)N1CCCC1 ZINC000104155002 529074203 /nfs/dbraw/zinc/07/42/03/529074203.db2.gz KLBZHTOATXEMRB-CVEARBPZSA-N 2 1 333.480 1.805 20 30 EDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000104155002 529074208 /nfs/dbraw/zinc/07/42/08/529074208.db2.gz KLBZHTOATXEMRB-CVEARBPZSA-N 3 1 333.480 1.805 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000104155002 529074213 /nfs/dbraw/zinc/07/42/13/529074213.db2.gz KLBZHTOATXEMRB-CVEARBPZSA-N 3 1 333.480 1.805 20 30 EDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2cn3c(n2)CCCC3)C1 ZINC000328800063 546508559 /nfs/dbraw/zinc/50/85/59/546508559.db2.gz YCUAASRYTWDRRA-MRXNPFEDSA-N 2 1 349.479 1.580 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000730105547 578614858 /nfs/dbraw/zinc/61/48/58/578614858.db2.gz KLVUJESRXWDWPO-SFHVURJKSA-N 2 1 329.444 1.341 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245566 591015089 /nfs/dbraw/zinc/01/50/89/591015089.db2.gz GQKBALPONPNJHB-RBUKOAKNSA-N 2 1 342.487 1.569 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245566 591015091 /nfs/dbraw/zinc/01/50/91/591015091.db2.gz GQKBALPONPNJHB-RBUKOAKNSA-N 2 1 342.487 1.569 20 30 EDEDMP CC(C)C[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C(=O)NCC[NH+](C)C ZINC000902921982 592081566 /nfs/dbraw/zinc/08/15/66/592081566.db2.gz HBHNNOLCUXNKNQ-YOEHRIQHSA-N 2 1 331.464 1.696 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000900667090 592086034 /nfs/dbraw/zinc/08/60/34/592086034.db2.gz LUJIBZZDFMSSMD-OALUTQOASA-N 2 1 325.456 1.893 20 30 EDEDMP C#CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CSC1 ZINC000912365735 593090423 /nfs/dbraw/zinc/09/04/23/593090423.db2.gz WMOKMCNVJPJUOY-UHFFFAOYSA-N 2 1 349.544 1.760 20 30 EDEDMP C[C@H](c1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1)[NH+]1CCOCC1 ZINC000841115797 594853103 /nfs/dbraw/zinc/85/31/03/594853103.db2.gz WDGWPTVTMMXNQM-FRFSOERESA-N 2 1 343.431 1.313 20 30 EDEDMP CCc1ccc(C#CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000855346430 595680723 /nfs/dbraw/zinc/68/07/23/595680723.db2.gz BNAKTXKQQQWWSR-KRWDZBQOSA-N 2 1 329.488 1.989 20 30 EDEDMP CCc1ccc(C#CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000855346430 595680726 /nfs/dbraw/zinc/68/07/26/595680726.db2.gz BNAKTXKQQQWWSR-KRWDZBQOSA-N 2 1 329.488 1.989 20 30 EDEDMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000859216165 596006353 /nfs/dbraw/zinc/00/63/53/596006353.db2.gz YLLDBLYFQMVCHQ-IBGZPJMESA-N 2 1 328.460 1.988 20 30 EDEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000859216165 596006359 /nfs/dbraw/zinc/00/63/59/596006359.db2.gz YLLDBLYFQMVCHQ-IBGZPJMESA-N 2 1 328.460 1.988 20 30 EDEDMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876738074 597314951 /nfs/dbraw/zinc/31/49/51/597314951.db2.gz YTAVXAVUFUHVFV-CLCXKQKWSA-N 2 1 340.471 1.982 20 30 EDEDMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876738074 597314956 /nfs/dbraw/zinc/31/49/56/597314956.db2.gz YTAVXAVUFUHVFV-CLCXKQKWSA-N 2 1 340.471 1.982 20 30 EDEDMP C=CCC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@H]1CCCO1 ZINC000883189548 597681079 /nfs/dbraw/zinc/68/10/79/597681079.db2.gz JXBGTNNJWBDHFR-CEXWTWQISA-N 2 1 337.508 1.496 20 30 EDEDMP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879124746 597827144 /nfs/dbraw/zinc/82/71/44/597827144.db2.gz BQVIDNCYAXBTSI-MRXNPFEDSA-N 2 1 338.496 1.285 20 30 EDEDMP C[N@@H+](CCCOc1ccc(C#N)cc1)CCCN1CC[NH+](C)CC1 ZINC000129815547 598021656 /nfs/dbraw/zinc/02/16/56/598021656.db2.gz UJTLGYMVLKNBOT-UHFFFAOYSA-N 2 1 330.476 1.896 20 30 EDEDMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884197227 598024322 /nfs/dbraw/zinc/02/43/22/598024322.db2.gz OATHKLBNQIICRX-TVRKMHQQSA-N 2 1 332.492 1.705 20 30 EDEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@H]21 ZINC000992842965 695402014 /nfs/dbraw/zinc/40/20/14/695402014.db2.gz OJTUARGWFZDTIG-KFKAGJAMSA-N 2 1 349.438 1.731 20 30 EDEDMP C[NH+]=C(NCCN1CCc2sccc2C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083131427 700463712 /nfs/dbraw/zinc/46/37/12/700463712.db2.gz PBCSRPLYKHFMFJ-OAHLLOKOSA-N 2 1 347.532 1.508 20 30 EDEDMP C[NH+]=C(NCCN1CCc2sccc2C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083131427 700463714 /nfs/dbraw/zinc/46/37/14/700463714.db2.gz PBCSRPLYKHFMFJ-OAHLLOKOSA-N 2 1 347.532 1.508 20 30 EDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940986067 701040252 /nfs/dbraw/zinc/04/02/52/701040252.db2.gz HBULRZLOKVWCFB-DOTOQJQBSA-N 2 1 328.460 1.604 20 30 EDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940986067 701040253 /nfs/dbraw/zinc/04/02/53/701040253.db2.gz HBULRZLOKVWCFB-DOTOQJQBSA-N 2 1 328.460 1.604 20 30 EDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000995891799 702190251 /nfs/dbraw/zinc/19/02/51/702190251.db2.gz DKEAYBMECYTVIT-DLBZAZTESA-N 2 1 335.492 1.642 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000996683250 702981089 /nfs/dbraw/zinc/98/10/89/702981089.db2.gz BJHJFBMKWKURLJ-MSOLQXFVSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000996683250 702981090 /nfs/dbraw/zinc/98/10/90/702981090.db2.gz BJHJFBMKWKURLJ-MSOLQXFVSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@H](C)OC)CC1 ZINC000997150136 703418781 /nfs/dbraw/zinc/41/87/81/703418781.db2.gz VBWMQMYRAWMZBA-JZXOWHBKSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@H](C)OC)CC1 ZINC000997150136 703418783 /nfs/dbraw/zinc/41/87/83/703418783.db2.gz VBWMQMYRAWMZBA-JZXOWHBKSA-N 2 1 335.492 1.336 20 30 EDEDMP C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995552128 703958635 /nfs/dbraw/zinc/95/86/35/703958635.db2.gz PXMHULQKVKCGRF-OLZOCXBDSA-N 2 1 344.297 1.816 20 30 EDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946590660 704197585 /nfs/dbraw/zinc/19/75/85/704197585.db2.gz GGEHCGPDMVZAJW-CEXWTWQISA-N 2 1 329.488 1.522 20 30 EDEDMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000998552897 705990589 /nfs/dbraw/zinc/99/05/89/705990589.db2.gz UPORMFWGOVXXFY-HTWSVDAQSA-N 2 1 344.434 1.871 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999764464 707318801 /nfs/dbraw/zinc/31/88/01/707318801.db2.gz KMNLTMDLNHEYHO-KRIMKBQASA-N 2 1 339.867 1.183 20 30 EDEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033955210 709136409 /nfs/dbraw/zinc/13/64/09/709136409.db2.gz WTGVDWFMVORMFU-LJQANCHMSA-N 2 1 327.472 1.960 20 30 EDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001004523649 711924482 /nfs/dbraw/zinc/92/44/82/711924482.db2.gz SXAMAQWKYJEJME-RTBURBONSA-N 2 1 349.519 1.985 20 30 EDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001004523649 711924483 /nfs/dbraw/zinc/92/44/83/711924483.db2.gz SXAMAQWKYJEJME-RTBURBONSA-N 2 1 349.519 1.985 20 30 EDEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004523649 711924484 /nfs/dbraw/zinc/92/44/84/711924484.db2.gz SXAMAQWKYJEJME-RTBURBONSA-N 2 1 349.519 1.985 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004523649 711924486 /nfs/dbraw/zinc/92/44/86/711924486.db2.gz SXAMAQWKYJEJME-RTBURBONSA-N 2 1 349.519 1.985 20 30 EDEDMP C[C@@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000329809587 539466061 /nfs/dbraw/zinc/46/60/61/539466061.db2.gz QDMOJPOONLREMH-NVXWUHKLSA-N 2 1 348.495 1.325 20 30 EDEDMP C[C@@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3cnn(C)c3)CC2)CC[N@H+]1C ZINC000329809587 539466063 /nfs/dbraw/zinc/46/60/63/539466063.db2.gz QDMOJPOONLREMH-NVXWUHKLSA-N 2 1 348.495 1.325 20 30 EDEDMP C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)CC[NH+]1C ZINC000329809587 539466068 /nfs/dbraw/zinc/46/60/68/539466068.db2.gz QDMOJPOONLREMH-NVXWUHKLSA-N 2 1 348.495 1.325 20 30 EDEDMP C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)CC[NH+]1C ZINC000329809587 539466071 /nfs/dbraw/zinc/46/60/71/539466071.db2.gz QDMOJPOONLREMH-NVXWUHKLSA-N 2 1 348.495 1.325 20 30 EDEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000274847473 201271587 /nfs/dbraw/zinc/27/15/87/201271587.db2.gz OCAJLCYVXDRFTN-ZWKOTPCHSA-N 2 1 337.508 1.914 20 30 EDEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000274847473 201271591 /nfs/dbraw/zinc/27/15/91/201271591.db2.gz OCAJLCYVXDRFTN-ZWKOTPCHSA-N 2 1 337.508 1.914 20 30 EDEDMP N#Cc1ccc(OCC[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000069857262 203057668 /nfs/dbraw/zinc/05/76/68/203057668.db2.gz KBMNVLOGJIDWJQ-GOSISDBHSA-N 2 1 329.444 1.981 20 30 EDEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000245427696 139074079 /nfs/dbraw/zinc/07/40/79/139074079.db2.gz MBZDMVQTGRWEMY-ZWKOTPCHSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000245427696 139074080 /nfs/dbraw/zinc/07/40/80/139074080.db2.gz MBZDMVQTGRWEMY-ZWKOTPCHSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000245427696 139074081 /nfs/dbraw/zinc/07/40/81/139074081.db2.gz MBZDMVQTGRWEMY-ZWKOTPCHSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000245427696 139074082 /nfs/dbraw/zinc/07/40/82/139074082.db2.gz MBZDMVQTGRWEMY-ZWKOTPCHSA-N 2 1 331.460 1.962 20 30 EDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374319317 250259629 /nfs/dbraw/zinc/25/96/29/250259629.db2.gz XKFKWWIHXKDINE-AWEZNQCLSA-N 2 1 334.464 1.195 20 30 EDEDMP N#CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000424135361 252137901 /nfs/dbraw/zinc/13/79/01/252137901.db2.gz MEOPXEAXZHIDAY-KRWDZBQOSA-N 2 1 332.423 1.881 20 30 EDEDMP N#CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000424135361 252137906 /nfs/dbraw/zinc/13/79/06/252137906.db2.gz MEOPXEAXZHIDAY-KRWDZBQOSA-N 2 1 332.423 1.881 20 30 EDEDMP C#CCN1CCN(C(=O)CN2CCC[C@@H]2c2ccccc2OC)CC1 ZINC000490759927 255105314 /nfs/dbraw/zinc/10/53/14/255105314.db2.gz IGHGIRIBBUUWBK-GOSISDBHSA-N 2 1 341.455 1.610 20 30 EDEDMP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[N@@H+](C)C1 ZINC000346412230 143202008 /nfs/dbraw/zinc/20/20/08/143202008.db2.gz JADVNVUAALNUQH-ROUUACIJSA-N 2 1 344.459 1.168 20 30 EDEDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000378300209 158133469 /nfs/dbraw/zinc/13/34/69/158133469.db2.gz VXPBAWUPQMNHMG-IBGZPJMESA-N 2 1 342.487 1.896 20 30 EDEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377832424 279214570 /nfs/dbraw/zinc/21/45/70/279214570.db2.gz RUURKIIXIUADIN-ROUUACIJSA-N 2 1 349.523 1.095 20 30 EDEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377832424 279214571 /nfs/dbraw/zinc/21/45/71/279214571.db2.gz RUURKIIXIUADIN-ROUUACIJSA-N 2 1 349.523 1.095 20 30 EDEDMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000130671426 442353264 /nfs/dbraw/zinc/35/32/64/442353264.db2.gz BMNYBOVUCJJVOA-INIZCTEOSA-N 2 1 347.507 1.846 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc(F)c(Cl)cc1F ZINC000278572577 443364602 /nfs/dbraw/zinc/36/46/02/443364602.db2.gz BCJIIESAYJMKRX-UHFFFAOYSA-N 2 1 346.809 1.745 20 30 EDEDMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000267391170 443440487 /nfs/dbraw/zinc/44/04/87/443440487.db2.gz HKUYBODYXGFVJR-GOSISDBHSA-N 2 1 337.427 1.844 20 30 EDEDMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000267391170 443440491 /nfs/dbraw/zinc/44/04/91/443440491.db2.gz HKUYBODYXGFVJR-GOSISDBHSA-N 2 1 337.427 1.844 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000270579603 443476273 /nfs/dbraw/zinc/47/62/73/443476273.db2.gz PSFWVCBVQHXMMQ-WFASDCNBSA-N 2 1 342.846 1.901 20 30 EDEDMP Cc1ccccc1O[C@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267436304 443456554 /nfs/dbraw/zinc/45/65/54/443456554.db2.gz NYVJVDKUSRMWMR-MRXNPFEDSA-N 2 1 334.464 1.389 20 30 EDEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)NCc1cccc(C(F)(F)F)c1 ZINC000275551648 443631799 /nfs/dbraw/zinc/63/17/99/443631799.db2.gz GGENAZNHXHJAIG-UHFFFAOYSA-N 2 1 344.381 1.832 20 30 EDEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)NCc1cccc(C(F)(F)F)c1 ZINC000275551648 443631801 /nfs/dbraw/zinc/63/18/01/443631801.db2.gz GGENAZNHXHJAIG-UHFFFAOYSA-N 2 1 344.381 1.832 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCc2sccc2C1 ZINC000296322613 444220100 /nfs/dbraw/zinc/22/01/00/444220100.db2.gz LBSIQZDXZDJIBS-UHFFFAOYSA-N 2 1 334.489 1.361 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCc2sccc2C1 ZINC000296322613 444220101 /nfs/dbraw/zinc/22/01/01/444220101.db2.gz LBSIQZDXZDJIBS-UHFFFAOYSA-N 2 1 334.489 1.361 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000296322613 444220102 /nfs/dbraw/zinc/22/01/02/444220102.db2.gz LBSIQZDXZDJIBS-UHFFFAOYSA-N 2 1 334.489 1.361 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000296322613 444220103 /nfs/dbraw/zinc/22/01/03/444220103.db2.gz LBSIQZDXZDJIBS-UHFFFAOYSA-N 2 1 334.489 1.361 20 30 EDEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000303867962 444237746 /nfs/dbraw/zinc/23/77/46/444237746.db2.gz DFORMEVNTQVAKC-SFHVURJKSA-N 2 1 332.492 1.882 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN(C)C(=O)OC(C)(C)C ZINC000303976432 444238381 /nfs/dbraw/zinc/23/83/81/444238381.db2.gz KFEGKNGGTNYGDI-CYBMUJFWSA-N 2 1 327.473 1.242 20 30 EDEDMP CC(C)C[NH+]1CCC(NC(=O)N2CCC([N@@H+](C)CCO)CC2)CC1 ZINC000331132271 444408301 /nfs/dbraw/zinc/40/83/01/444408301.db2.gz TURPPYBQMJFZDZ-UHFFFAOYSA-N 2 1 340.512 1.409 20 30 EDEDMP CN(C)c1[nH+]cc(CNC(=O)N2CCCC23CC[NH+](C)CC3)n1C ZINC000329099120 444472039 /nfs/dbraw/zinc/47/20/39/444472039.db2.gz ZAXLGYDHVYXULY-UHFFFAOYSA-N 2 1 334.468 1.460 20 30 EDEDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000347539808 445242238 /nfs/dbraw/zinc/24/22/38/445242238.db2.gz UFPHNHXEJAEVIK-KRWDZBQOSA-N 2 1 331.464 1.306 20 30 EDEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000364030369 445891087 /nfs/dbraw/zinc/89/10/87/445891087.db2.gz CYGLDTUYVMFRSX-MRXNPFEDSA-N 2 1 328.460 1.158 20 30 EDEDMP CC[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000413818684 447256117 /nfs/dbraw/zinc/25/61/17/447256117.db2.gz OZVFROUXKBJFGE-GOSISDBHSA-N 2 1 343.475 1.726 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(CC#N)CC1 ZINC000431206959 447793745 /nfs/dbraw/zinc/79/37/45/447793745.db2.gz LWIYZZMYJMSWME-INIZCTEOSA-N 2 1 335.496 1.738 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000487238966 447828536 /nfs/dbraw/zinc/82/85/36/447828536.db2.gz IECQLRSFTREJBP-WMZOPIPTSA-N 2 1 340.471 1.859 20 30 EDEDMP CN(CCC#N)C[C@H](O)CNc1ccc2c(c1)N(C)CC[N@H+](C)C2 ZINC000576746277 448130945 /nfs/dbraw/zinc/13/09/45/448130945.db2.gz FIPKOMKAZHIIHP-QGZVFWFLSA-N 2 1 331.464 1.186 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(C#N)cc1 ZINC000596125585 449376250 /nfs/dbraw/zinc/37/62/50/449376250.db2.gz CBBYJLBBVAHDQH-HNNXBMFYSA-N 2 1 331.464 1.629 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(C#N)cc1 ZINC000596125585 449376256 /nfs/dbraw/zinc/37/62/56/449376256.db2.gz CBBYJLBBVAHDQH-HNNXBMFYSA-N 2 1 331.464 1.629 20 30 EDEDMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594443334 449520924 /nfs/dbraw/zinc/52/09/24/449520924.db2.gz DGHHWTQXILXVRO-HOTGVXAUSA-N 2 1 330.432 1.579 20 30 EDEDMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc2)CC1 ZINC000598715983 449559917 /nfs/dbraw/zinc/55/99/17/449559917.db2.gz XAWZMVGGVRTLEB-IBGZPJMESA-N 2 1 344.503 1.824 20 30 EDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844785 449851619 /nfs/dbraw/zinc/85/16/19/449851619.db2.gz FWAGWBOSWWWNPG-GOSISDBHSA-N 2 1 329.448 1.648 20 30 EDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844785 449851627 /nfs/dbraw/zinc/85/16/27/449851627.db2.gz FWAGWBOSWWWNPG-GOSISDBHSA-N 2 1 329.448 1.648 20 30 EDEDMP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609159004 449970949 /nfs/dbraw/zinc/97/09/49/449970949.db2.gz DWFUCHYZZTVPCV-GOSISDBHSA-N 2 1 326.444 1.544 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609159004 449970952 /nfs/dbraw/zinc/97/09/52/449970952.db2.gz DWFUCHYZZTVPCV-GOSISDBHSA-N 2 1 326.444 1.544 20 30 EDEDMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609159004 449970955 /nfs/dbraw/zinc/97/09/55/449970955.db2.gz DWFUCHYZZTVPCV-GOSISDBHSA-N 2 1 326.444 1.544 20 30 EDEDMP C[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609159004 449970956 /nfs/dbraw/zinc/97/09/56/449970956.db2.gz DWFUCHYZZTVPCV-GOSISDBHSA-N 2 1 326.444 1.544 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107372199 527635258 /nfs/dbraw/zinc/63/52/58/527635258.db2.gz OEBKPCMWXUYYJJ-ROUUACIJSA-N 2 1 334.508 1.287 20 30 EDEDMP C#CCNC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000729926668 578602089 /nfs/dbraw/zinc/60/20/89/578602089.db2.gz CAUPXGRZNKQETN-LJQANCHMSA-N 2 1 343.471 1.113 20 30 EDEDMP C[C@@H](C#N)OCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000801920278 581088054 /nfs/dbraw/zinc/08/80/54/581088054.db2.gz SLJXIEIVXJFULP-SFHVURJKSA-N 2 1 330.476 1.665 20 30 EDEDMP C[C@@H](C#N)OCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000801920278 581088055 /nfs/dbraw/zinc/08/80/55/581088055.db2.gz SLJXIEIVXJFULP-SFHVURJKSA-N 2 1 330.476 1.665 20 30 EDEDMP COc1ccc2ncc(C#N)c(NCC[NH+]3CCC([NH3+])CC3)c2c1 ZINC000905707275 592618357 /nfs/dbraw/zinc/61/83/57/592618357.db2.gz UQNCUINJZPMDNH-UHFFFAOYSA-N 2 1 325.416 1.372 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000836486103 594968570 /nfs/dbraw/zinc/96/85/70/594968570.db2.gz AUIVJVLLURTKCX-UHFFFAOYSA-N 2 1 342.487 1.777 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000836486103 594968571 /nfs/dbraw/zinc/96/85/71/594968571.db2.gz AUIVJVLLURTKCX-UHFFFAOYSA-N 2 1 342.487 1.777 20 30 EDEDMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000848410130 595375048 /nfs/dbraw/zinc/37/50/48/595375048.db2.gz JYDIUKLGOZDNSV-HNNXBMFYSA-N 2 1 326.404 1.603 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852884207 595597941 /nfs/dbraw/zinc/59/79/41/595597941.db2.gz GSSVUPYAKXYBFK-VQIMIIECSA-N 2 1 325.456 1.626 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1csc(-c2ccco2)n1 ZINC000123606876 596573273 /nfs/dbraw/zinc/57/32/73/596573273.db2.gz KHAFRLKMGWQTEF-UHFFFAOYSA-N 2 1 349.460 1.530 20 30 EDEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867979634 596643251 /nfs/dbraw/zinc/64/32/51/596643251.db2.gz LFPGHNXYYXVSQB-JEBQAFNWSA-N 2 1 326.444 1.544 20 30 EDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000876716930 597302558 /nfs/dbraw/zinc/30/25/58/597302558.db2.gz QRAVZUAZUSKHCZ-HUUCEWRRSA-N 2 1 331.888 1.710 20 30 EDEDMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876762312 597328640 /nfs/dbraw/zinc/32/86/40/597328640.db2.gz FSORQBHFKYOIFN-APWZRJJASA-N 2 1 340.471 1.839 20 30 EDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000876785318 597339298 /nfs/dbraw/zinc/33/92/98/597339298.db2.gz UTWHLEHRNTVGDJ-HNNXBMFYSA-N 2 1 342.915 1.523 20 30 EDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000884189161 598020904 /nfs/dbraw/zinc/02/09/04/598020904.db2.gz XOOFZVDXIXXKFV-FDYSRKEFSA-N 2 1 338.455 1.300 20 30 EDEDMP C[N@@H+](CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Cc1ccccc1 ZINC000884199729 598025667 /nfs/dbraw/zinc/02/56/67/598025667.db2.gz IDIQOJUKBMNQHZ-HFCFLWKCSA-N 2 1 326.444 1.374 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940158171 700289827 /nfs/dbraw/zinc/28/98/27/700289827.db2.gz SSUJBZNUAKVLLG-SJORKVTESA-N 2 1 333.476 1.091 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940158171 700289830 /nfs/dbraw/zinc/28/98/30/700289830.db2.gz SSUJBZNUAKVLLG-SJORKVTESA-N 2 1 333.476 1.091 20 30 EDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000940795886 700914939 /nfs/dbraw/zinc/91/49/39/700914939.db2.gz WJSMXVCHAYPEOZ-ZWKOTPCHSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C(C)(C)C1 ZINC000940795886 700914940 /nfs/dbraw/zinc/91/49/40/700914940.db2.gz WJSMXVCHAYPEOZ-ZWKOTPCHSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C(C)(C)C1 ZINC000940795886 700914941 /nfs/dbraw/zinc/91/49/41/700914941.db2.gz WJSMXVCHAYPEOZ-ZWKOTPCHSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3c(C)noc3C)C2)CC1 ZINC001032204660 701990980 /nfs/dbraw/zinc/99/09/80/701990980.db2.gz BLQTZXXGBBPEBN-UHFFFAOYSA-N 2 1 344.459 1.185 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000995920326 702241653 /nfs/dbraw/zinc/24/16/53/702241653.db2.gz FCNRTEQPVSFXNL-ROUUACIJSA-N 2 1 340.471 1.506 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000995920326 702241655 /nfs/dbraw/zinc/24/16/55/702241655.db2.gz FCNRTEQPVSFXNL-ROUUACIJSA-N 2 1 340.471 1.506 20 30 EDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996069691 702480580 /nfs/dbraw/zinc/48/05/80/702480580.db2.gz KUCXKSZQRLDUKM-YJTLQXIOSA-N 2 1 333.476 1.252 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942445947 702941825 /nfs/dbraw/zinc/94/18/25/702941825.db2.gz YRHZFWQWIJRMGW-NVXWUHKLSA-N 2 1 337.427 1.731 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2ncccn2)CC1 ZINC000996684406 702982238 /nfs/dbraw/zinc/98/22/38/702982238.db2.gz JMHSDJZATMLUOM-WBVHZDCISA-N 2 1 341.459 1.216 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2ncccn2)CC1 ZINC000996684406 702982242 /nfs/dbraw/zinc/98/22/42/702982242.db2.gz JMHSDJZATMLUOM-WBVHZDCISA-N 2 1 341.459 1.216 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000942837062 703350223 /nfs/dbraw/zinc/35/02/23/703350223.db2.gz GDDUMAKNPMEPOL-DOTOQJQBSA-N 2 1 344.459 1.734 20 30 EDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000942837062 703350226 /nfs/dbraw/zinc/35/02/26/703350226.db2.gz GDDUMAKNPMEPOL-DOTOQJQBSA-N 2 1 344.459 1.734 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033090637 704173140 /nfs/dbraw/zinc/17/31/40/704173140.db2.gz HTXQZDQYGIQWDM-OTWHNJEPSA-N 2 1 347.503 1.289 20 30 EDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997690483 704563049 /nfs/dbraw/zinc/56/30/49/704563049.db2.gz BHXVFVJEPPVVCO-GBJJWRMUSA-N 2 1 347.503 1.642 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000998007463 705172433 /nfs/dbraw/zinc/17/24/33/705172433.db2.gz OHKUADIKTCENCO-QGZVFWFLSA-N 2 1 345.491 1.395 20 30 EDEDMP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998101791 705344311 /nfs/dbraw/zinc/34/43/11/705344311.db2.gz KFZNABGMOXEUME-MSOLQXFVSA-N 2 1 337.508 1.985 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998101791 705344315 /nfs/dbraw/zinc/34/43/15/705344315.db2.gz KFZNABGMOXEUME-MSOLQXFVSA-N 2 1 337.508 1.985 20 30 EDEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000998101791 705344319 /nfs/dbraw/zinc/34/43/19/705344319.db2.gz KFZNABGMOXEUME-MSOLQXFVSA-N 2 1 337.508 1.985 20 30 EDEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000998101791 705344323 /nfs/dbraw/zinc/34/43/23/705344323.db2.gz KFZNABGMOXEUME-MSOLQXFVSA-N 2 1 337.508 1.985 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000998718005 706149542 /nfs/dbraw/zinc/14/95/42/706149542.db2.gz AFVHLHGPFDHATE-AEFFLSMTSA-N 2 1 344.434 1.872 20 30 EDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728539 707253082 /nfs/dbraw/zinc/25/30/82/707253082.db2.gz FYFIUELNNMTVDE-OTWHNJEPSA-N 2 1 331.504 1.912 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728539 707253087 /nfs/dbraw/zinc/25/30/87/707253087.db2.gz FYFIUELNNMTVDE-OTWHNJEPSA-N 2 1 331.504 1.912 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728539 707253090 /nfs/dbraw/zinc/25/30/90/707253090.db2.gz FYFIUELNNMTVDE-OTWHNJEPSA-N 2 1 331.504 1.912 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033661583 708474653 /nfs/dbraw/zinc/47/46/53/708474653.db2.gz LSKTWGUUDXMUQV-ROUUACIJSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033661583 708474656 /nfs/dbraw/zinc/47/46/56/708474656.db2.gz LSKTWGUUDXMUQV-ROUUACIJSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033661583 708474657 /nfs/dbraw/zinc/47/46/57/708474657.db2.gz LSKTWGUUDXMUQV-ROUUACIJSA-N 2 1 326.444 1.543 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001034043096 709294019 /nfs/dbraw/zinc/29/40/19/709294019.db2.gz SROBPRDJOPDQOI-CABCVRRESA-N 2 1 346.500 1.994 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001034043096 709294021 /nfs/dbraw/zinc/29/40/21/709294021.db2.gz SROBPRDJOPDQOI-CABCVRRESA-N 2 1 346.500 1.994 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001034043096 709294024 /nfs/dbraw/zinc/29/40/24/709294024.db2.gz SROBPRDJOPDQOI-CABCVRRESA-N 2 1 346.500 1.994 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001034043096 709294028 /nfs/dbraw/zinc/29/40/28/709294028.db2.gz SROBPRDJOPDQOI-CABCVRRESA-N 2 1 346.500 1.994 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C[C@@H](C)OC)C2)CC1 ZINC001034046686 709299738 /nfs/dbraw/zinc/29/97/38/709299738.db2.gz UGTSQDANWXMOLU-AEFFLSMTSA-N 2 1 335.492 1.289 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cccnc2)CC1 ZINC001005517948 709439616 /nfs/dbraw/zinc/43/96/16/709439616.db2.gz IFTLPCFJBNVOGE-IBGZPJMESA-N 2 1 340.471 1.602 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cccnc2)CC1 ZINC001005517948 709439618 /nfs/dbraw/zinc/43/96/18/709439618.db2.gz IFTLPCFJBNVOGE-IBGZPJMESA-N 2 1 340.471 1.602 20 30 EDEDMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001003626960 710457198 /nfs/dbraw/zinc/45/71/98/710457198.db2.gz YLMDFQTXWQZGFQ-MRXNPFEDSA-N 2 1 340.471 1.981 20 30 EDEDMP C=CCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000922391858 711456700 /nfs/dbraw/zinc/45/67/00/711456700.db2.gz BGAROOCCISIPFX-YRXWBPOGSA-N 2 1 347.507 1.814 20 30 EDEDMP C=CCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](CC)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000922391858 711456703 /nfs/dbraw/zinc/45/67/03/711456703.db2.gz BGAROOCCISIPFX-YRXWBPOGSA-N 2 1 347.507 1.814 20 30 EDEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)N1CCc2ccccc21 ZINC000264065627 249330136 /nfs/dbraw/zinc/33/01/36/249330136.db2.gz BBGXDSUQNDBSTQ-MRXNPFEDSA-N 2 1 345.491 1.064 20 30 EDEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362688445 250183344 /nfs/dbraw/zinc/18/33/44/250183344.db2.gz ZOKVYYLFUCYELP-KRWDZBQOSA-N 2 1 329.444 1.648 20 30 EDEDMP CN(CCC#N)C(=O)CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374779390 250272060 /nfs/dbraw/zinc/27/20/60/250272060.db2.gz LDHXONGYYMMZPB-UHFFFAOYSA-N 2 1 343.475 1.992 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@@H+](C[C@H]2CCCO2)C2CCCC2)CC1 ZINC000490760828 255105145 /nfs/dbraw/zinc/10/51/45/255105145.db2.gz PJBDHWCCTRJIGP-GOSISDBHSA-N 2 1 333.476 1.187 20 30 EDEDMP CN1CCC([N@H+]2CC[C@H](NC(=O)COc3ccccc3C#N)C2)CC1 ZINC000364204854 153173072 /nfs/dbraw/zinc/17/30/72/153173072.db2.gz BXOGZVAHBXUGMW-INIZCTEOSA-N 2 1 342.443 1.222 20 30 EDEDMP C[NH+]1CCC(N2CC[C@H](NC(=O)COc3ccccc3C#N)C2)CC1 ZINC000364204854 153173076 /nfs/dbraw/zinc/17/30/76/153173076.db2.gz BXOGZVAHBXUGMW-INIZCTEOSA-N 2 1 342.443 1.222 20 30 EDEDMP C[N@H+]1CCC[C@@H](CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000521031219 267335596 /nfs/dbraw/zinc/33/55/96/267335596.db2.gz WERAOJSGLNIQNL-HNNXBMFYSA-N 2 1 335.473 1.653 20 30 EDEDMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1(C)C ZINC000374241571 290044471 /nfs/dbraw/zinc/04/44/71/290044471.db2.gz NZWRVKHKQUXPSH-XDNAFOTISA-N 2 1 334.508 1.842 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378431803 447427268 /nfs/dbraw/zinc/42/72/68/447427268.db2.gz OUHIXTSCTMBQEH-MOPGFXCFSA-N 2 1 348.535 1.535 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000122003799 441826785 /nfs/dbraw/zinc/82/67/85/441826785.db2.gz FEWAUWRKKLUXOM-UHFFFAOYSA-N 2 1 328.460 1.546 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc2c(c1)OCCO2 ZINC000170905849 442286746 /nfs/dbraw/zinc/28/67/46/442286746.db2.gz BSGRZOSEMFESGO-OAHLLOKOSA-N 2 1 332.448 1.389 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179738399 442496560 /nfs/dbraw/zinc/49/65/60/442496560.db2.gz YPTQWZNDIKSVPP-GOSISDBHSA-N 3 1 344.507 1.687 20 30 EDEDMP C[NH+](C)C[C@](C)(O)C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182066139 442733000 /nfs/dbraw/zinc/73/30/00/442733000.db2.gz OVBDVIBUSXRHFH-LJQANCHMSA-N 2 1 330.476 1.425 20 30 EDEDMP C=CCCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000268886633 443137331 /nfs/dbraw/zinc/13/73/31/443137331.db2.gz SXDDGWKXFUZKQI-UHFFFAOYSA-N 2 1 338.477 1.089 20 30 EDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190535541 443130556 /nfs/dbraw/zinc/13/05/56/443130556.db2.gz WZZRMAJPIXLEQD-NVXWUHKLSA-N 2 1 334.464 1.217 20 30 EDEDMP CC1(C)C[N@@H+](C2(CNC(=[NH2+])N3CCOCC3)CCCCC2)CCO1 ZINC000262547821 443199551 /nfs/dbraw/zinc/19/95/51/443199551.db2.gz WCGUCWPLVKZCQL-UHFFFAOYSA-N 2 1 338.496 1.447 20 30 EDEDMP CC1(C)C[N@H+](C2(CNC(=[NH2+])N3CCOCC3)CCCCC2)CCO1 ZINC000262547821 443199553 /nfs/dbraw/zinc/19/95/53/443199553.db2.gz WCGUCWPLVKZCQL-UHFFFAOYSA-N 2 1 338.496 1.447 20 30 EDEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000262845880 443214846 /nfs/dbraw/zinc/21/48/46/443214846.db2.gz VTLJWRJKZKFNCJ-NSHDSACASA-N 2 1 345.369 1.558 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNC(=O)c1occc1C ZINC000267395158 443442827 /nfs/dbraw/zinc/44/28/27/443442827.db2.gz DVQMKEJGEZJURB-CQSZACIVSA-N 2 1 335.452 1.097 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(F)c(F)c1 ZINC000267447653 443460667 /nfs/dbraw/zinc/46/06/67/443460667.db2.gz QMHMADKSFFJFFS-LBPRGKRZSA-N 2 1 326.391 1.732 20 30 EDEDMP Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000280004646 443654879 /nfs/dbraw/zinc/65/48/79/443654879.db2.gz TWGZFMIAKSCWGX-KBPBESRZSA-N 2 1 331.395 1.929 20 30 EDEDMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])N[C@@H](C)COC)[C@@H]1c1ccccc1 ZINC000284976034 443804892 /nfs/dbraw/zinc/80/48/92/443804892.db2.gz GLAGSPCRCYWUFY-XIRDDKMYSA-N 2 1 334.464 1.388 20 30 EDEDMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])N[C@@H](C)COC)[C@@H]1c1ccccc1 ZINC000284976034 443804897 /nfs/dbraw/zinc/80/48/97/443804897.db2.gz GLAGSPCRCYWUFY-XIRDDKMYSA-N 2 1 334.464 1.388 20 30 EDEDMP C[NH+](C)CCCN(CCC#N)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294745433 444140929 /nfs/dbraw/zinc/14/09/29/444140929.db2.gz ORQHLAAKYBDRMX-UHFFFAOYSA-N 2 1 326.404 1.575 20 30 EDEDMP C=C(C)C[NH+]1CCC(Nc2nc(N[C@@H]3CCCOC3)cc[nH+]2)CC1 ZINC000333145586 444642072 /nfs/dbraw/zinc/64/20/72/444642072.db2.gz LDWSIAVEZJCYNO-MRXNPFEDSA-N 2 1 331.464 2.520 20 30 EDEDMP C(#CCN1CC[N@H+]2CCCC[C@@H]2C1)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000341902599 445062781 /nfs/dbraw/zinc/06/27/81/445062781.db2.gz AAJBSZOAAWBIMX-WOJBJXKFSA-N 2 1 330.520 1.330 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000362549524 445434014 /nfs/dbraw/zinc/43/40/14/445434014.db2.gz BZIXIYKIXIUHLK-QAPCUYQASA-N 2 1 328.460 1.646 20 30 EDEDMP Cn1ccnc1CN1C[C@@H](F)C[C@@H]1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000354935963 445434856 /nfs/dbraw/zinc/43/48/56/445434856.db2.gz TWGZFMIAKSCWGX-UONOGXRCSA-N 2 1 331.395 1.929 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1 ZINC000371288521 446746601 /nfs/dbraw/zinc/74/66/01/446746601.db2.gz ZBZHGKWSCDBRGU-IRXDYDNUSA-N 2 1 336.480 1.189 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)CC1 ZINC000371288521 446746607 /nfs/dbraw/zinc/74/66/07/446746607.db2.gz ZBZHGKWSCDBRGU-IRXDYDNUSA-N 2 1 336.480 1.189 20 30 EDEDMP C(#CC[N@H+]1CCC[C@@]2(CCOC2)C1)C[NH+]1CCC[C@]2(CCOC2)C1 ZINC000451912357 447781616 /nfs/dbraw/zinc/78/16/16/447781616.db2.gz SQJMQUMKXGXWFX-BGYRXZFFSA-N 2 1 332.488 1.995 20 30 EDEDMP C(#CC[N@@H+]1CCC[C@]2(CCOC2)C1)C[NH+]1CCC[C@@]2(CCOC2)C1 ZINC000451912357 447781620 /nfs/dbraw/zinc/78/16/20/447781620.db2.gz SQJMQUMKXGXWFX-BGYRXZFFSA-N 2 1 332.488 1.995 20 30 EDEDMP C(#CC[N@H+]1CCC[C@]2(CCOC2)C1)C[NH+]1CCC[C@@]2(CCOC2)C1 ZINC000451912357 447781623 /nfs/dbraw/zinc/78/16/23/447781623.db2.gz SQJMQUMKXGXWFX-BGYRXZFFSA-N 2 1 332.488 1.995 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000491304782 447987486 /nfs/dbraw/zinc/98/74/86/447987486.db2.gz HAAIJMLHMSPAEV-CYBMUJFWSA-N 2 1 340.265 1.544 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000491304782 447987492 /nfs/dbraw/zinc/98/74/92/447987492.db2.gz HAAIJMLHMSPAEV-CYBMUJFWSA-N 2 1 340.265 1.544 20 30 EDEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CCCO1 ZINC000577502886 448315430 /nfs/dbraw/zinc/31/54/30/448315430.db2.gz IISBDVZTFSUCBD-AEFFLSMTSA-N 2 1 347.459 1.388 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC/C=C/C[NH3+])CC2)cc1 ZINC000591360893 448345586 /nfs/dbraw/zinc/34/55/86/448345586.db2.gz HDPOTHVCVWZJAP-OWOJBTEDSA-N 2 1 327.432 1.290 20 30 EDEDMP Cc1ccc(NCCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)[nH+]c1 ZINC000583626626 448454111 /nfs/dbraw/zinc/45/41/11/448454111.db2.gz ZDAGWCDSRITQJS-QGZVFWFLSA-N 2 1 340.427 2.093 20 30 EDEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000568367552 448861330 /nfs/dbraw/zinc/86/13/30/448861330.db2.gz NQPCCCCKEJZZGC-FQEVSTJZSA-N 2 1 344.503 1.489 20 30 EDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604290970 449202313 /nfs/dbraw/zinc/20/23/13/449202313.db2.gz ZNIZPPKFUKINBQ-GOSISDBHSA-N 2 1 343.475 1.726 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000596361962 449482684 /nfs/dbraw/zinc/48/26/84/449482684.db2.gz WGWNDOGBEPQEKC-LBPRGKRZSA-N 2 1 334.424 1.733 20 30 EDEDMP C[NH+]1CCN(c2ncc(C[NH2+]CCc3ccc(C#N)cc3)cn2)CC1 ZINC000594954145 449819815 /nfs/dbraw/zinc/81/98/15/449819815.db2.gz CFOJTEVQPVFTBP-UHFFFAOYSA-N 2 1 336.443 1.432 20 30 EDEDMP C=CC[C@]1(C(=O)NC[C@H](C(CC)CC)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662673920 453390844 /nfs/dbraw/zinc/39/08/44/453390844.db2.gz SPAOJGIXPGACKK-IEBWSBKVSA-N 2 1 337.508 1.938 20 30 EDEDMP CCCCOc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264093914 535327425 /nfs/dbraw/zinc/32/74/25/535327425.db2.gz MABAPJSERQRPHE-UHFFFAOYSA-N 2 1 348.491 1.992 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267387344 535548602 /nfs/dbraw/zinc/54/86/02/535548602.db2.gz CAIIMUXVFSWPHX-MRXNPFEDSA-N 3 1 335.471 1.776 20 30 EDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)c(CN(C)C)c1 ZINC000267387344 535548605 /nfs/dbraw/zinc/54/86/05/535548605.db2.gz CAIIMUXVFSWPHX-MRXNPFEDSA-N 2 1 335.471 1.776 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)c(CN(C)C)c1 ZINC000267387344 535548609 /nfs/dbraw/zinc/54/86/09/535548609.db2.gz CAIIMUXVFSWPHX-MRXNPFEDSA-N 2 1 335.471 1.776 20 30 EDEDMP C[C@@H](C#N)OCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000796381775 580952680 /nfs/dbraw/zinc/95/26/80/580952680.db2.gz GBINCRGCRGIFGS-ICSRJNTNSA-N 2 1 342.487 1.807 20 30 EDEDMP C[C@@H](C#N)OCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000796381775 580952681 /nfs/dbraw/zinc/95/26/81/580952681.db2.gz GBINCRGCRGIFGS-ICSRJNTNSA-N 2 1 342.487 1.807 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000900326858 591990889 /nfs/dbraw/zinc/99/08/89/591990889.db2.gz QSMPRATXAUTWGX-QGZVFWFLSA-N 2 1 344.459 1.583 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000900326858 591990892 /nfs/dbraw/zinc/99/08/92/591990892.db2.gz QSMPRATXAUTWGX-QGZVFWFLSA-N 2 1 344.459 1.583 20 30 EDEDMP CCC[N@H+]1CCC[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000906471418 592830289 /nfs/dbraw/zinc/83/02/89/592830289.db2.gz JEASJNFPIOEYCM-QGZVFWFLSA-N 2 1 336.480 1.183 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000912394581 593092564 /nfs/dbraw/zinc/09/25/64/593092564.db2.gz UEHFYORDFZUBMA-SFHVURJKSA-N 2 1 331.460 1.377 20 30 EDEDMP C[N@@H+](Cc1ccccc1)C[C@H](O)CNCCNc1ccc(C#N)cn1 ZINC000818952507 593730037 /nfs/dbraw/zinc/73/00/37/593730037.db2.gz OBTDCPPRUIWDHQ-GOSISDBHSA-N 2 1 339.443 1.448 20 30 EDEDMP C[N@H+](Cc1ccccc1)C[C@H](O)CNCCNc1ccc(C#N)cn1 ZINC000818952507 593730038 /nfs/dbraw/zinc/73/00/38/593730038.db2.gz OBTDCPPRUIWDHQ-GOSISDBHSA-N 2 1 339.443 1.448 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000819022669 593734351 /nfs/dbraw/zinc/73/43/51/593734351.db2.gz UWXVWGJIAKEEPB-OAHLLOKOSA-N 2 1 327.469 1.502 20 30 EDEDMP C[C@H](c1ccc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1)[NH+]1CCOCC1 ZINC000841115798 594853217 /nfs/dbraw/zinc/85/32/17/594853217.db2.gz WDGWPTVTMMXNQM-KMFMINBZSA-N 2 1 343.431 1.313 20 30 EDEDMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000844370959 595332388 /nfs/dbraw/zinc/33/23/88/595332388.db2.gz LINZWMPESRFRKX-FQEVSTJZSA-N 2 1 344.503 1.940 20 30 EDEDMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C#CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000852862643 595583119 /nfs/dbraw/zinc/58/31/19/595583119.db2.gz IBYWFMLFBDYRDT-JFIYKMOQSA-N 2 1 333.476 1.090 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000852894419 595602761 /nfs/dbraw/zinc/60/27/61/595602761.db2.gz VWXAZBIOAPHDFL-VQTJNVASSA-N 2 1 337.467 1.722 20 30 EDEDMP CN(C)c1ccc(C#N)cc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000865552888 596609060 /nfs/dbraw/zinc/60/90/60/596609060.db2.gz REAGHORPMFGUNI-UHFFFAOYSA-N 2 1 329.492 1.740 20 30 EDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000876879326 597366805 /nfs/dbraw/zinc/36/68/05/597366805.db2.gz QFTUHRHBXKZIQL-GJZGRUSLSA-N 2 1 328.888 1.085 20 30 EDEDMP C[C@@]1(O)CC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@](C)(O)C3)c2)C1 ZINC000878166590 597583547 /nfs/dbraw/zinc/58/35/47/597583547.db2.gz ZFFYNSJTZJJJEC-KDURUIRLSA-N 2 1 329.444 1.472 20 30 EDEDMP C[C@@]1(O)CC[N@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@](C)(O)C3)c2)C1 ZINC000878166590 597583548 /nfs/dbraw/zinc/58/35/48/597583548.db2.gz ZFFYNSJTZJJJEC-KDURUIRLSA-N 2 1 329.444 1.472 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000917874089 697096690 /nfs/dbraw/zinc/09/66/90/697096690.db2.gz VPWZNMDJACAORA-QGZVFWFLSA-N 2 1 342.487 1.904 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC000941634877 701601436 /nfs/dbraw/zinc/60/14/36/701601436.db2.gz LXWANPYPHBLZQL-UHFFFAOYSA-N 2 1 346.519 1.123 20 30 EDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973468 701015800 /nfs/dbraw/zinc/01/58/00/701015800.db2.gz VJVOMWFSWNWCHQ-IRXDYDNUSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973468 701015801 /nfs/dbraw/zinc/01/58/01/701015801.db2.gz VJVOMWFSWNWCHQ-IRXDYDNUSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973468 701015802 /nfs/dbraw/zinc/01/58/02/701015802.db2.gz VJVOMWFSWNWCHQ-IRXDYDNUSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973468 701015803 /nfs/dbraw/zinc/01/58/03/701015803.db2.gz VJVOMWFSWNWCHQ-IRXDYDNUSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C(C)(C)C1 ZINC000941239820 701429814 /nfs/dbraw/zinc/42/98/14/701429814.db2.gz VEZLHUQINJPTEI-SFHVURJKSA-N 2 1 329.488 1.572 20 30 EDEDMP C#CCN1CC[NH+](C2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000996789008 703081603 /nfs/dbraw/zinc/08/16/03/703081603.db2.gz JCPIGAZCJNCNJL-VIQWUECVSA-N 2 1 346.519 1.149 20 30 EDEDMP C=CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000995266836 703183793 /nfs/dbraw/zinc/18/37/93/703183793.db2.gz IXQLBCDZYOFOBJ-RTBURBONSA-N 2 1 342.487 1.870 20 30 EDEDMP C=CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000995266836 703183794 /nfs/dbraw/zinc/18/37/94/703183794.db2.gz IXQLBCDZYOFOBJ-RTBURBONSA-N 2 1 342.487 1.870 20 30 EDEDMP C=CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000995266836 703183796 /nfs/dbraw/zinc/18/37/96/703183796.db2.gz IXQLBCDZYOFOBJ-RTBURBONSA-N 2 1 342.487 1.870 20 30 EDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408879 703438084 /nfs/dbraw/zinc/43/80/84/703438084.db2.gz MACREHHLQMVFEA-OKYOBFRVSA-N 2 1 347.503 1.595 20 30 EDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032474934 703696186 /nfs/dbraw/zinc/69/61/86/703696186.db2.gz BCQIRELUYRXVRE-IRXDYDNUSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001033085334 704148903 /nfs/dbraw/zinc/14/89/03/704148903.db2.gz SLKBHGNRRWJVBS-BRWVUGGUSA-N 2 1 328.460 1.873 20 30 EDEDMP C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001033085334 704148907 /nfs/dbraw/zinc/14/89/07/704148907.db2.gz SLKBHGNRRWJVBS-BRWVUGGUSA-N 2 1 328.460 1.873 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033093446 704170939 /nfs/dbraw/zinc/17/09/39/704170939.db2.gz UJBMBKATYWQMCH-QRVBRYPASA-N 2 1 347.503 1.289 20 30 EDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000997747154 704643791 /nfs/dbraw/zinc/64/37/91/704643791.db2.gz FCOMPRUYXQXPHL-HNNXBMFYSA-N 2 1 344.459 1.734 20 30 EDEDMP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999986228 707657485 /nfs/dbraw/zinc/65/74/85/707657485.db2.gz GAEAQXWRMBWSQJ-HYVNUMGLSA-N 2 1 346.479 1.057 20 30 EDEDMP C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999986228 707657488 /nfs/dbraw/zinc/65/74/88/707657488.db2.gz GAEAQXWRMBWSQJ-HYVNUMGLSA-N 2 1 346.479 1.057 20 30 EDEDMP C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999986228 707657491 /nfs/dbraw/zinc/65/74/91/707657491.db2.gz GAEAQXWRMBWSQJ-HYVNUMGLSA-N 2 1 346.479 1.057 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCC(F)(F)F)C2)CC1 ZINC001033688622 708495868 /nfs/dbraw/zinc/49/58/68/708495868.db2.gz SBBPHXRLYDFKHL-OAHLLOKOSA-N 2 1 345.409 1.817 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033837801 708867297 /nfs/dbraw/zinc/86/72/97/708867297.db2.gz OTZLMVACFVHWIE-MRXNPFEDSA-N 2 1 331.464 1.004 20 30 EDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033837801 708867300 /nfs/dbraw/zinc/86/73/00/708867300.db2.gz OTZLMVACFVHWIE-MRXNPFEDSA-N 2 1 331.464 1.004 20 30 EDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034208298 709557487 /nfs/dbraw/zinc/55/74/87/709557487.db2.gz ATGCMDDYANUPMI-QRVBRYPASA-N 2 1 347.503 1.337 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001034653754 710328915 /nfs/dbraw/zinc/32/89/15/710328915.db2.gz RILWIKMZRMGNFB-KLHDSHLOSA-N 2 1 341.883 1.619 20 30 EDEDMP CC1(C)CC[N@@H+](CC(=O)N2CCC([C@H]3CCCN3CC#N)CC2)C1 ZINC001004543698 711954866 /nfs/dbraw/zinc/95/48/66/711954866.db2.gz QRJCMEISCYFASS-QGZVFWFLSA-N 2 1 332.492 1.945 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(C)C)C[C@H]2CC1 ZINC000946627681 711972762 /nfs/dbraw/zinc/97/27/62/711972762.db2.gz ABZXHVDRHUIALE-OTWHNJEPSA-N 2 1 331.504 1.910 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(C)C)C[C@H]2CC1 ZINC000946627681 711972764 /nfs/dbraw/zinc/97/27/64/711972764.db2.gz ABZXHVDRHUIALE-OTWHNJEPSA-N 2 1 331.504 1.910 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(C)C)C[C@H]2CC1 ZINC000946627681 711972765 /nfs/dbraw/zinc/97/27/65/711972765.db2.gz ABZXHVDRHUIALE-OTWHNJEPSA-N 2 1 331.504 1.910 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(C)C)C[C@H]2CC1 ZINC000946627681 711972766 /nfs/dbraw/zinc/97/27/66/711972766.db2.gz ABZXHVDRHUIALE-OTWHNJEPSA-N 2 1 331.504 1.910 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ncc(C#N)cc1C ZINC000559397685 306254767 /nfs/dbraw/zinc/25/47/67/306254767.db2.gz VHQNLKDGKBRSEB-QGZVFWFLSA-N 2 1 343.475 1.750 20 30 EDEDMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000347049687 250052207 /nfs/dbraw/zinc/05/22/07/250052207.db2.gz IGUJULSQDMJUBR-UHFFFAOYSA-N 2 1 336.480 1.372 20 30 EDEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000424176263 252154500 /nfs/dbraw/zinc/15/45/00/252154500.db2.gz RRNLDPZIJLADKA-ZWKOTPCHSA-N 2 1 344.459 1.415 20 30 EDEDMP C[NH+](C)C/C=C\C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000491643222 255136832 /nfs/dbraw/zinc/13/68/32/255136832.db2.gz NYNLYCVGQINNME-HYXAFXHYSA-N 2 1 326.444 1.710 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)nc1 ZINC000115354773 276370978 /nfs/dbraw/zinc/37/09/78/276370978.db2.gz XBQYRVAETJMGKJ-QGZVFWFLSA-N 2 1 329.448 1.441 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000057169550 441095357 /nfs/dbraw/zinc/09/53/57/441095357.db2.gz BUQCDZKTXWFMCI-OAHLLOKOSA-N 2 1 345.512 1.956 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000057169550 441095359 /nfs/dbraw/zinc/09/53/59/441095359.db2.gz BUQCDZKTXWFMCI-OAHLLOKOSA-N 2 1 345.512 1.956 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC000072015462 441202943 /nfs/dbraw/zinc/20/29/43/441202943.db2.gz GVBXQGMCHICATM-LJQANCHMSA-N 2 1 349.519 1.585 20 30 EDEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083034786 441348107 /nfs/dbraw/zinc/34/81/07/441348107.db2.gz AVZXYMCRMWDEKF-QGZVFWFLSA-N 2 1 345.491 1.442 20 30 EDEDMP CN1CCC[N@H+](CCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083034786 441348113 /nfs/dbraw/zinc/34/81/13/441348113.db2.gz AVZXYMCRMWDEKF-QGZVFWFLSA-N 2 1 345.491 1.442 20 30 EDEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083034786 441348118 /nfs/dbraw/zinc/34/81/18/441348118.db2.gz AVZXYMCRMWDEKF-QGZVFWFLSA-N 2 1 345.491 1.442 20 30 EDEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090064907 441618369 /nfs/dbraw/zinc/61/83/69/441618369.db2.gz XEDFIBSJXPVNPU-QZTJIDSGSA-N 2 1 330.476 1.947 20 30 EDEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])Nc2cccc3c2CCCC3)CC1 ZINC000178421676 442432384 /nfs/dbraw/zinc/43/23/84/442432384.db2.gz WJUXPDGCCSFJHQ-UHFFFAOYSA-N 2 1 343.475 1.456 20 30 EDEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)Nc1ccccn1 ZINC000180453711 442604687 /nfs/dbraw/zinc/60/46/87/442604687.db2.gz HUNYJOOEJLIWCH-INIZCTEOSA-N 2 1 325.416 1.575 20 30 EDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190535521 443130573 /nfs/dbraw/zinc/13/05/73/443130573.db2.gz WZZRMAJPIXLEQD-DOTOQJQBSA-N 2 1 334.464 1.217 20 30 EDEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261934335 443174695 /nfs/dbraw/zinc/17/46/95/443174695.db2.gz CDTOYTMBZHVBBE-HOTGVXAUSA-N 2 1 331.464 1.594 20 30 EDEDMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262770464 443211688 /nfs/dbraw/zinc/21/16/88/443211688.db2.gz HKUMDNCJDKJXKL-MRXNPFEDSA-N 2 1 345.495 1.034 20 30 EDEDMP CCc1cccc(NC(=[NH2+])NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000264164739 443253995 /nfs/dbraw/zinc/25/39/95/443253995.db2.gz BXWDUVCKWPRVOF-QGZVFWFLSA-N 2 1 345.491 1.918 20 30 EDEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000267430401 443454909 /nfs/dbraw/zinc/45/49/09/443454909.db2.gz MLIBRBMAPSOCFQ-HNNXBMFYSA-N 2 1 334.464 1.983 20 30 EDEDMP COc1ccc(C[C@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000270396517 443469470 /nfs/dbraw/zinc/46/94/70/443469470.db2.gz DGJQIZIEQOHCKF-INIZCTEOSA-N 2 1 348.491 1.500 20 30 EDEDMP C[N@H+]1CC[C@@]2(CCN(CC(=O)N(CCC#N)c3ccccc3)C2)C1 ZINC000292233954 443784902 /nfs/dbraw/zinc/78/49/02/443784902.db2.gz WCKUTMFNGAWHPV-LJQANCHMSA-N 2 1 326.444 1.961 20 30 EDEDMP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000289328036 444109098 /nfs/dbraw/zinc/10/90/98/444109098.db2.gz DFDAFBKATKUSSB-UHFFFAOYSA-N 2 1 330.432 1.995 20 30 EDEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289399813 444130348 /nfs/dbraw/zinc/13/03/48/444130348.db2.gz KWJLCZSJGPWMQL-INIZCTEOSA-N 2 1 345.491 1.701 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000297315831 444281840 /nfs/dbraw/zinc/28/18/40/444281840.db2.gz IMUPKMKLZXREOD-UHFFFAOYSA-N 2 1 348.466 1.854 20 30 EDEDMP C[N@@H+](CCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)C1CC1 ZINC000580064737 322003449 /nfs/dbraw/zinc/00/34/49/322003449.db2.gz RYXUZXVUCRUPNF-UHFFFAOYSA-N 2 1 336.461 1.191 20 30 EDEDMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329513775 444610534 /nfs/dbraw/zinc/61/05/34/444610534.db2.gz YCKYIFMDDFZTGU-OAGGEKHMSA-N 2 1 331.464 1.918 20 30 EDEDMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)C1 ZINC000330353841 444949144 /nfs/dbraw/zinc/94/91/44/444949144.db2.gz OXMNIDCLKBOIEB-INMHGKMJSA-N 2 1 349.479 1.876 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000364547090 445930678 /nfs/dbraw/zinc/93/06/78/445930678.db2.gz OVDIOYZMLKQAQX-NZSAHSFTSA-N 2 1 347.503 1.337 20 30 EDEDMP C[NH+]1CC[C@@H]2CCN(CC#CCN3CC[C@@H]4CC[N@H+](C)[C@@H]4C3)C[C@H]21 ZINC000367458760 446547963 /nfs/dbraw/zinc/54/79/63/446547963.db2.gz OCPCYKNIJUAQPQ-IYWMVGAKSA-N 2 1 330.520 1.042 20 30 EDEDMP C[NH+]1CC[C@H]2CCN(CC#CCN3CC[C@H]4CC[N@H+](C)[C@@H]4C3)C[C@H]21 ZINC000367458760 446547968 /nfs/dbraw/zinc/54/79/68/446547968.db2.gz OCPCYKNIJUAQPQ-IYWMVGAKSA-N 2 1 330.520 1.042 20 30 EDEDMP C[NH+]1CC[C@H]2CCN(CC#CCN3CC[C@H]4CC[N@@H+](C)[C@@H]4C3)C[C@H]21 ZINC000367458760 446547971 /nfs/dbraw/zinc/54/79/71/446547971.db2.gz OCPCYKNIJUAQPQ-IYWMVGAKSA-N 2 1 330.520 1.042 20 30 EDEDMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000455447484 447132114 /nfs/dbraw/zinc/13/21/14/447132114.db2.gz ZNWCKKOYEBGWDO-INIZCTEOSA-N 2 1 343.475 1.726 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458312274 447766105 /nfs/dbraw/zinc/76/61/05/447766105.db2.gz BFVNHWPCIDGZTG-KRWDZBQOSA-N 2 1 338.496 1.173 20 30 EDEDMP C=CCOCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430687539 447783600 /nfs/dbraw/zinc/78/36/00/447783600.db2.gz QWDGTICLPJRXOP-UHFFFAOYSA-N 2 1 337.508 1.844 20 30 EDEDMP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)C[C@H](C)O1 ZINC000525885520 448047936 /nfs/dbraw/zinc/04/79/36/448047936.db2.gz ASMILPGFHSTAKA-HOTGVXAUSA-N 2 1 348.491 1.370 20 30 EDEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nccc(C#N)n1 ZINC000556195507 448108922 /nfs/dbraw/zinc/10/89/22/448108922.db2.gz ZEBKGDBAZAOGMO-UHFFFAOYSA-N 2 1 342.491 1.981 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000573236651 448577579 /nfs/dbraw/zinc/57/75/79/448577579.db2.gz HSWGSHUILMYJQV-OAHLLOKOSA-N 2 1 334.416 1.395 20 30 EDEDMP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1=CC[N@H+](C)CC1 ZINC000578620074 448595199 /nfs/dbraw/zinc/59/51/99/448595199.db2.gz MMBWTEIFCMXOJR-CQSZACIVSA-N 2 1 333.457 1.572 20 30 EDEDMP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1=CC[N@@H+](C)CC1 ZINC000578620074 448595203 /nfs/dbraw/zinc/59/52/03/448595203.db2.gz MMBWTEIFCMXOJR-CQSZACIVSA-N 2 1 333.457 1.572 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000530231063 449089092 /nfs/dbraw/zinc/08/90/92/449089092.db2.gz LXHZNIQQRUYAFU-SFHVURJKSA-N 2 1 329.444 1.928 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000601968567 449251981 /nfs/dbraw/zinc/25/19/81/449251981.db2.gz ORYRGGLBRPRFND-YZGWKJHDSA-N 2 1 344.503 1.550 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000596625682 449576991 /nfs/dbraw/zinc/57/69/91/449576991.db2.gz UYPHSUCZSYWKAA-AWEZNQCLSA-N 2 1 349.454 1.769 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(C#N)c(F)c1 ZINC000596625682 449576994 /nfs/dbraw/zinc/57/69/94/449576994.db2.gz UYPHSUCZSYWKAA-AWEZNQCLSA-N 2 1 349.454 1.769 20 30 EDEDMP COc1ccc(Cl)cc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104175536 533842404 /nfs/dbraw/zinc/84/24/04/533842404.db2.gz TZNJVKDFEFCQSG-UHFFFAOYSA-N 2 1 340.855 1.475 20 30 EDEDMP CC(C)(C)n1cc(C#N)cc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000905293855 592486852 /nfs/dbraw/zinc/48/68/52/592486852.db2.gz NHVRSRAAQGGOOG-UHFFFAOYSA-N 2 1 332.452 1.659 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000838624362 593197584 /nfs/dbraw/zinc/19/75/84/593197584.db2.gz UBODCSZBWWZGPW-UHFFFAOYSA-N 2 1 332.448 1.704 20 30 EDEDMP C#C[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000820422089 593817907 /nfs/dbraw/zinc/81/79/07/593817907.db2.gz CRZOFWPXCFFSEZ-RYQLBKOJSA-N 2 1 334.508 1.987 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000836402586 594959856 /nfs/dbraw/zinc/95/98/56/594959856.db2.gz JRGUPFDWTUCSBX-IEBWSBKVSA-N 2 1 342.487 1.761 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000836402586 594959858 /nfs/dbraw/zinc/95/98/58/594959858.db2.gz JRGUPFDWTUCSBX-IEBWSBKVSA-N 2 1 342.487 1.761 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000836402586 594959860 /nfs/dbraw/zinc/95/98/60/594959860.db2.gz JRGUPFDWTUCSBX-IEBWSBKVSA-N 2 1 342.487 1.761 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000844049047 595258217 /nfs/dbraw/zinc/25/82/17/595258217.db2.gz GGRJUZQOWPQFRT-QYZOEREBSA-N 2 1 325.456 1.546 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000844049047 595258220 /nfs/dbraw/zinc/25/82/20/595258220.db2.gz GGRJUZQOWPQFRT-QYZOEREBSA-N 2 1 325.456 1.546 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000844049047 595258222 /nfs/dbraw/zinc/25/82/22/595258222.db2.gz GGRJUZQOWPQFRT-QYZOEREBSA-N 2 1 325.456 1.546 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000844049047 595258225 /nfs/dbraw/zinc/25/82/25/595258225.db2.gz GGRJUZQOWPQFRT-QYZOEREBSA-N 2 1 325.456 1.546 20 30 EDEDMP C#CCNC(=O)CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856584893 596023105 /nfs/dbraw/zinc/02/31/05/596023105.db2.gz UHJBFYFOGKVLGI-SFHVURJKSA-N 2 1 344.459 1.126 20 30 EDEDMP C#CCNC(=O)CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584893 596023108 /nfs/dbraw/zinc/02/31/08/596023108.db2.gz UHJBFYFOGKVLGI-SFHVURJKSA-N 2 1 344.459 1.126 20 30 EDEDMP C#CCNC(=O)CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584893 596023109 /nfs/dbraw/zinc/02/31/09/596023109.db2.gz UHJBFYFOGKVLGI-SFHVURJKSA-N 2 1 344.459 1.126 20 30 EDEDMP C[N@@H+](CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C1CCCC1 ZINC000876755285 597323923 /nfs/dbraw/zinc/32/39/23/597323923.db2.gz JCSNALCPXZVFPC-GOSISDBHSA-N 2 1 326.444 1.736 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993359886 696005563 /nfs/dbraw/zinc/00/55/63/696005563.db2.gz DSEQIIMKZDBIDU-CVEARBPZSA-N 2 1 333.480 1.604 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943515120 698429248 /nfs/dbraw/zinc/42/92/48/698429248.db2.gz GLUZIJIZLOSYQG-WMZOPIPTSA-N 2 1 347.507 1.851 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCCCO2)CC1 ZINC000940157907 700289392 /nfs/dbraw/zinc/28/93/92/700289392.db2.gz FGEDGURUPZSCPW-MSOLQXFVSA-N 2 1 347.503 1.624 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCCCO2)CC1 ZINC000940157907 700289394 /nfs/dbraw/zinc/28/93/94/700289394.db2.gz FGEDGURUPZSCPW-MSOLQXFVSA-N 2 1 347.503 1.624 20 30 EDEDMP C[NH+]=C(NCc1ccc(N2CCCC2)nc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083125831 700465484 /nfs/dbraw/zinc/46/54/84/700465484.db2.gz VZBDKYNWUNYERE-INIZCTEOSA-N 2 1 342.491 1.584 20 30 EDEDMP C[NH+]=C(NCc1ccc(N2CCCC2)nc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083125831 700465487 /nfs/dbraw/zinc/46/54/87/700465487.db2.gz VZBDKYNWUNYERE-INIZCTEOSA-N 2 1 342.491 1.584 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCC(F)(F)F)C2)CC1 ZINC001032207515 702198944 /nfs/dbraw/zinc/19/89/44/702198944.db2.gz VEPMMLFFURHKDQ-UHFFFAOYSA-N 2 1 331.382 1.332 20 30 EDEDMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000997007894 703265289 /nfs/dbraw/zinc/26/52/89/703265289.db2.gz ROQAMVHKSPSFEZ-INIZCTEOSA-N 2 1 340.471 1.981 20 30 EDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033092869 704169464 /nfs/dbraw/zinc/16/94/64/704169464.db2.gz RHCKRZPFSDGVHM-QRVBRYPASA-N 2 1 349.519 1.842 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nocc2C)CC1 ZINC000997832192 704750835 /nfs/dbraw/zinc/75/08/35/704750835.db2.gz OHOJMGITJHJZFD-SFHVURJKSA-N 2 1 344.459 1.409 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nocc2C)CC1 ZINC000997832192 704750836 /nfs/dbraw/zinc/75/08/36/704750836.db2.gz OHOJMGITJHJZFD-SFHVURJKSA-N 2 1 344.459 1.409 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ocnc2C)C1 ZINC000998927626 706355723 /nfs/dbraw/zinc/35/57/23/706355723.db2.gz HQFQJYYGWQEXTP-GPANFISMSA-N 2 1 330.432 1.160 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ocnc2C)C1 ZINC000998927626 706355724 /nfs/dbraw/zinc/35/57/24/706355724.db2.gz HQFQJYYGWQEXTP-GPANFISMSA-N 2 1 330.432 1.160 20 30 EDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)CC[C@@H]2C1 ZINC000946536647 707895165 /nfs/dbraw/zinc/89/51/65/707895165.db2.gz SHNIRLDXYAONOI-OWCLPIDISA-N 2 1 341.883 1.240 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033662957 708479291 /nfs/dbraw/zinc/47/92/91/708479291.db2.gz SZQXWJSOFLLVJK-ZWKOTPCHSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033662957 708479293 /nfs/dbraw/zinc/47/92/93/708479293.db2.gz SZQXWJSOFLLVJK-ZWKOTPCHSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033662957 708479296 /nfs/dbraw/zinc/47/92/96/708479296.db2.gz SZQXWJSOFLLVJK-ZWKOTPCHSA-N 2 1 326.444 1.543 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001033682820 708493937 /nfs/dbraw/zinc/49/39/37/708493937.db2.gz CZPGYDBADLQHAE-TVPLGVNVSA-N 2 1 331.504 1.910 20 30 EDEDMP C#CCN1CC[C@@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033955253 709136482 /nfs/dbraw/zinc/13/64/82/709136482.db2.gz XLCSUBAGYXYDFO-OAHLLOKOSA-N 2 1 330.432 1.440 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033983433 709192712 /nfs/dbraw/zinc/19/27/12/709192712.db2.gz QOZRMVOWQUSZJJ-KRWDZBQOSA-N 2 1 331.464 1.004 20 30 EDEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034435241 710008145 /nfs/dbraw/zinc/00/81/45/710008145.db2.gz IARUMSJFWFRQGW-QGZVFWFLSA-N 2 1 333.480 1.605 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001034538824 710211731 /nfs/dbraw/zinc/21/17/31/710211731.db2.gz RSAUQUXFWRTBBA-PKOBYXMFSA-N 2 1 347.503 1.339 20 30 EDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)CC[C@@H]2C1 ZINC000946627759 711973173 /nfs/dbraw/zinc/97/31/73/711973173.db2.gz DGFHSRUSZRMJAW-OTWHNJEPSA-N 2 1 327.472 1.278 20 30 EDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC#C)CC[C@@H]2C1 ZINC000946627759 711973175 /nfs/dbraw/zinc/97/31/75/711973175.db2.gz DGFHSRUSZRMJAW-OTWHNJEPSA-N 2 1 327.472 1.278 20 30 EDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC#C)CC[C@@H]2C1 ZINC000946627759 711973177 /nfs/dbraw/zinc/97/31/77/711973177.db2.gz DGFHSRUSZRMJAW-OTWHNJEPSA-N 2 1 327.472 1.278 20 30 EDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC#C)CC[C@@H]2C1 ZINC000946627759 711973179 /nfs/dbraw/zinc/97/31/79/711973179.db2.gz DGFHSRUSZRMJAW-OTWHNJEPSA-N 2 1 327.472 1.278 20 30 EDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004573865 712000015 /nfs/dbraw/zinc/00/00/15/712000015.db2.gz BKXWQXQJHLVYFB-SFHVURJKSA-N 2 1 335.492 1.598 20 30 EDEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004573865 712000017 /nfs/dbraw/zinc/00/00/17/712000017.db2.gz BKXWQXQJHLVYFB-SFHVURJKSA-N 2 1 335.492 1.598 20 30 EDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642722 712128562 /nfs/dbraw/zinc/12/85/62/712128562.db2.gz QSHKAPNOCGKKCG-RDGPPVDQSA-N 2 1 329.488 1.807 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642722 712128564 /nfs/dbraw/zinc/12/85/64/712128564.db2.gz QSHKAPNOCGKKCG-RDGPPVDQSA-N 2 1 329.488 1.807 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642722 712128568 /nfs/dbraw/zinc/12/85/68/712128568.db2.gz QSHKAPNOCGKKCG-RDGPPVDQSA-N 2 1 329.488 1.807 20 30 EDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)CC[C@@H]2C1 ZINC000946652457 712205009 /nfs/dbraw/zinc/20/50/09/712205009.db2.gz UOYFNMSZVFAHIC-KSZLIROESA-N 2 1 340.471 1.639 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccsc2)C1 ZINC001033161216 712263425 /nfs/dbraw/zinc/26/34/25/712263425.db2.gz KVQXOHJGSBCQJJ-SJORKVTESA-N 2 1 331.485 1.878 20 30 EDEDMP CC[N@@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC000073107970 138213722 /nfs/dbraw/zinc/21/37/22/138213722.db2.gz UZFSXFXSQGUZRQ-SFHVURJKSA-N 2 1 344.459 1.169 20 30 EDEDMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC000073107970 138213727 /nfs/dbraw/zinc/21/37/27/138213727.db2.gz UZFSXFXSQGUZRQ-SFHVURJKSA-N 2 1 344.459 1.169 20 30 EDEDMP N#Cc1cccc(OCC[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000104070315 138299503 /nfs/dbraw/zinc/29/95/03/138299503.db2.gz VRRFHMPJGKCFES-GOSISDBHSA-N 2 1 342.443 1.351 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ccc(Cl)cc1 ZINC000104156496 237057559 /nfs/dbraw/zinc/05/75/59/237057559.db2.gz ALEUZYZWHOJZKD-UHFFFAOYSA-N 2 1 340.855 1.345 20 30 EDEDMP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(C#N)cc1 ZINC000133781054 205376937 /nfs/dbraw/zinc/37/69/37/205376937.db2.gz PMDTVBVATMVXPA-HNNXBMFYSA-N 2 1 336.443 1.951 20 30 EDEDMP COc1ccc(C)cc1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264083218 249332461 /nfs/dbraw/zinc/33/24/61/249332461.db2.gz IYZQTNYFRUPOEH-UHFFFAOYSA-N 2 1 334.464 1.173 20 30 EDEDMP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418703053 251388101 /nfs/dbraw/zinc/38/81/01/251388101.db2.gz QMSXJEFHVDTLFD-GJZGRUSLSA-N 2 1 329.448 1.511 20 30 EDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000107370527 441414399 /nfs/dbraw/zinc/41/43/99/441414399.db2.gz YCBDZELDWJEHBX-SFHVURJKSA-N 2 1 328.460 1.649 20 30 EDEDMP C[NH+]=C(NCCn1cnc2ccccc21)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262025587 443180730 /nfs/dbraw/zinc/18/07/30/443180730.db2.gz ZQVYMJVUFNXRCB-YOEHRIQHSA-N 2 1 340.475 1.684 20 30 EDEDMP CCCCCCNC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264116318 443249973 /nfs/dbraw/zinc/24/99/73/443249973.db2.gz SQKURMJSXLDQPB-GOSISDBHSA-N 2 1 332.492 1.890 20 30 EDEDMP CC(C)(C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267395075 443442433 /nfs/dbraw/zinc/44/24/33/443442433.db2.gz DTCXOEURQBKDAM-INIZCTEOSA-N 2 1 345.491 1.587 20 30 EDEDMP C[N@@H+](CCOCCC#N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000293614599 444071213 /nfs/dbraw/zinc/07/12/13/444071213.db2.gz PZMWONMXYNJFPY-UHFFFAOYSA-N 2 1 330.476 1.666 20 30 EDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000289436464 444143719 /nfs/dbraw/zinc/14/37/19/444143719.db2.gz WDHQXKDDGVFMDJ-LSDHHAIUSA-N 2 1 345.447 1.361 20 30 EDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000289436464 444143724 /nfs/dbraw/zinc/14/37/24/444143724.db2.gz WDHQXKDDGVFMDJ-LSDHHAIUSA-N 2 1 345.447 1.361 20 30 EDEDMP CN(CCCN(C)CC(=O)Nc1cccc(C#N)c1)CC[NH+](C)C ZINC000289480674 444155042 /nfs/dbraw/zinc/15/50/42/444155042.db2.gz RSBXUMUCKRFJLR-UHFFFAOYSA-N 2 1 331.464 1.312 20 30 EDEDMP CN(CCC[N@H+](C)CC(=O)Nc1cccc(C#N)c1)CC[NH+](C)C ZINC000289480674 444155046 /nfs/dbraw/zinc/15/50/46/444155046.db2.gz RSBXUMUCKRFJLR-UHFFFAOYSA-N 2 1 331.464 1.312 20 30 EDEDMP CN(CCC[N@@H+](C)CC(=O)Nc1cccc(C#N)c1)CC[NH+](C)C ZINC000289480674 444155050 /nfs/dbraw/zinc/15/50/50/444155050.db2.gz RSBXUMUCKRFJLR-UHFFFAOYSA-N 2 1 331.464 1.312 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000295105108 444165936 /nfs/dbraw/zinc/16/59/36/444165936.db2.gz WPBYEVCBHRHGBT-MRXNPFEDSA-N 2 1 349.500 1.832 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000295105108 444165940 /nfs/dbraw/zinc/16/59/40/444165940.db2.gz WPBYEVCBHRHGBT-MRXNPFEDSA-N 2 1 349.500 1.832 20 30 EDEDMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329901398 444760444 /nfs/dbraw/zinc/76/04/44/444760444.db2.gz GWSOWYPPVUYFEF-HZPDHXFCSA-N 2 1 333.480 1.927 20 30 EDEDMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329901398 444760448 /nfs/dbraw/zinc/76/04/48/444760448.db2.gz GWSOWYPPVUYFEF-HZPDHXFCSA-N 2 1 333.480 1.927 20 30 EDEDMP C=CCC[C@H](O)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358869600 445822501 /nfs/dbraw/zinc/82/25/01/445822501.db2.gz FUDNNADIBNKYFT-BZSNNMDCSA-N 2 1 340.508 1.904 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000531296209 448056905 /nfs/dbraw/zinc/05/69/05/448056905.db2.gz YVGFRDXLESVVLV-FQEVSTJZSA-N 2 1 343.471 1.390 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC000562989574 448278329 /nfs/dbraw/zinc/27/83/29/448278329.db2.gz NMQUSJMHQISZBI-HOJAQTOUSA-N 2 1 344.503 1.693 20 30 EDEDMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528560115 448587360 /nfs/dbraw/zinc/58/73/60/448587360.db2.gz HXSYOYOERAPPAE-MSOLQXFVSA-N 2 1 347.459 1.341 20 30 EDEDMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528560115 448587367 /nfs/dbraw/zinc/58/73/67/448587367.db2.gz HXSYOYOERAPPAE-MSOLQXFVSA-N 2 1 347.459 1.341 20 30 EDEDMP N#Cc1cnccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000592478417 448853950 /nfs/dbraw/zinc/85/39/50/448853950.db2.gz APUAMCNAKPLWSB-WMLDXEAASA-N 2 1 327.432 1.033 20 30 EDEDMP N#Cc1cnccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000592478417 448853955 /nfs/dbraw/zinc/85/39/55/448853955.db2.gz APUAMCNAKPLWSB-WMLDXEAASA-N 2 1 327.432 1.033 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000597942307 449152802 /nfs/dbraw/zinc/15/28/02/449152802.db2.gz LJGOOHWHWBMVPQ-HOTGVXAUSA-N 2 1 346.475 1.714 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000597942307 449152804 /nfs/dbraw/zinc/15/28/04/449152804.db2.gz LJGOOHWHWBMVPQ-HOTGVXAUSA-N 2 1 346.475 1.714 20 30 EDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000595906258 449244764 /nfs/dbraw/zinc/24/47/64/449244764.db2.gz IGFLPXTVRZXJNR-QGZVFWFLSA-N 2 1 344.459 1.929 20 30 EDEDMP CC(C)C[C@H]([NH2+]Cc1cccc(F)c1C#N)C(=O)NCC[NH+](C)C ZINC000602014812 449274880 /nfs/dbraw/zinc/27/48/80/449274880.db2.gz GTBXHCVUBKOXIZ-KRWDZBQOSA-N 2 1 334.439 1.879 20 30 EDEDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000602891774 449899515 /nfs/dbraw/zinc/89/95/15/449899515.db2.gz OXJFDDAQSDACPE-SFHVURJKSA-N 2 1 330.432 1.275 20 30 EDEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000602891774 449899517 /nfs/dbraw/zinc/89/95/17/449899517.db2.gz OXJFDDAQSDACPE-SFHVURJKSA-N 2 1 330.432 1.275 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654431502 452487860 /nfs/dbraw/zinc/48/78/60/452487860.db2.gz NTBIARGHMCUXAS-OAGGEKHMSA-N 2 1 338.496 1.434 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654431502 452487864 /nfs/dbraw/zinc/48/78/64/452487864.db2.gz NTBIARGHMCUXAS-OAGGEKHMSA-N 2 1 338.496 1.434 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nn(C)cc1Br ZINC000263046875 535549953 /nfs/dbraw/zinc/54/99/53/535549953.db2.gz DBXYBSCCRSFICV-SNVBAGLBSA-N 2 1 343.273 1.071 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000730105395 578614908 /nfs/dbraw/zinc/61/49/08/578614908.db2.gz HHNYIWVMCOSVAN-SFHVURJKSA-N 2 1 326.444 1.260 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000730105395 578614910 /nfs/dbraw/zinc/61/49/10/578614910.db2.gz HHNYIWVMCOSVAN-SFHVURJKSA-N 2 1 326.444 1.260 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000730105395 578614912 /nfs/dbraw/zinc/61/49/12/578614912.db2.gz HHNYIWVMCOSVAN-SFHVURJKSA-N 2 1 326.444 1.260 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1nc(C#N)cs1 ZINC000895667009 591247271 /nfs/dbraw/zinc/24/72/71/591247271.db2.gz VTQIGJAIYPIVCL-LBPRGKRZSA-N 2 1 338.481 1.086 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1nc(C#N)cs1 ZINC000895667009 591247273 /nfs/dbraw/zinc/24/72/73/591247273.db2.gz VTQIGJAIYPIVCL-LBPRGKRZSA-N 2 1 338.481 1.086 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000900598595 592064664 /nfs/dbraw/zinc/06/46/64/592064664.db2.gz KBVCSRXACNMQDH-HNNXBMFYSA-N 2 1 337.464 1.028 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000900598595 592064666 /nfs/dbraw/zinc/06/46/66/592064666.db2.gz KBVCSRXACNMQDH-HNNXBMFYSA-N 2 1 337.464 1.028 20 30 EDEDMP N#Cc1ccnc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000905699710 592613640 /nfs/dbraw/zinc/61/36/40/592613640.db2.gz BKPXFPKIDSBJIJ-GASCZTMLSA-N 2 1 342.403 1.266 20 30 EDEDMP N#Cc1ccnc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000905699710 592613642 /nfs/dbraw/zinc/61/36/42/592613642.db2.gz BKPXFPKIDSBJIJ-GASCZTMLSA-N 2 1 342.403 1.266 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000814641565 593598943 /nfs/dbraw/zinc/59/89/43/593598943.db2.gz HZUXQWOYRSOBTQ-LJQANCHMSA-N 2 1 325.456 1.643 20 30 EDEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819042457 593735268 /nfs/dbraw/zinc/73/52/68/593735268.db2.gz INIWDYNIBSZVIH-SFHVURJKSA-N 2 1 344.459 1.124 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000836458385 594965338 /nfs/dbraw/zinc/96/53/38/594965338.db2.gz JMNOCLGTVFRBLB-IEBWSBKVSA-N 2 1 342.487 1.904 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC000836458385 594965340 /nfs/dbraw/zinc/96/53/40/594965340.db2.gz JMNOCLGTVFRBLB-IEBWSBKVSA-N 2 1 342.487 1.904 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC000836458385 594965342 /nfs/dbraw/zinc/96/53/42/594965342.db2.gz JMNOCLGTVFRBLB-IEBWSBKVSA-N 2 1 342.487 1.904 20 30 EDEDMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867982519 596643975 /nfs/dbraw/zinc/64/39/75/596643975.db2.gz RXADKYORFAUGLB-GOSISDBHSA-N 2 1 328.460 1.839 20 30 EDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000876775986 597335663 /nfs/dbraw/zinc/33/56/63/597335663.db2.gz IMOMYUXNOCPXLZ-AWEZNQCLSA-N 2 1 337.855 1.648 20 30 EDEDMP N#Cc1cc(C[NH+]2CCC[C@@H]2CO)cc(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000877998755 597568826 /nfs/dbraw/zinc/56/88/26/597568826.db2.gz DJQKKQZCDSRXDK-RTBURBONSA-N 2 1 329.444 1.472 20 30 EDEDMP C[C@@H]1C[N@H+](CCCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H](C)O1 ZINC000884196088 598023675 /nfs/dbraw/zinc/02/36/75/598023675.db2.gz HMOMKNBOHVERNW-UIEBLEIFSA-N 2 1 348.491 1.131 20 30 EDEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC000992748572 695270556 /nfs/dbraw/zinc/27/05/56/695270556.db2.gz MRZKPLTXQGGAFE-BRWVUGGUSA-N 2 1 340.471 1.612 20 30 EDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943518458 698433654 /nfs/dbraw/zinc/43/36/54/698433654.db2.gz SGMSDFMIERNDHS-NVXWUHKLSA-N 2 1 333.480 1.461 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941602822 701593333 /nfs/dbraw/zinc/59/33/33/701593333.db2.gz AGUBGXZHEAOWFO-PKOBYXMFSA-N 2 1 346.519 1.408 20 30 EDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902162 700976828 /nfs/dbraw/zinc/97/68/28/700976828.db2.gz YATMUXNUGYISKA-ASPXRTSYSA-N 2 1 347.503 1.642 20 30 EDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902162 700976829 /nfs/dbraw/zinc/97/68/29/700976829.db2.gz YATMUXNUGYISKA-ASPXRTSYSA-N 2 1 347.503 1.642 20 30 EDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902162 700976830 /nfs/dbraw/zinc/97/68/30/700976830.db2.gz YATMUXNUGYISKA-ASPXRTSYSA-N 2 1 347.503 1.642 20 30 EDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973501 701015721 /nfs/dbraw/zinc/01/57/21/701015721.db2.gz WFGROGHWFFQBTQ-IAGOWNOFSA-N 2 1 335.492 1.336 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973501 701015723 /nfs/dbraw/zinc/01/57/23/701015723.db2.gz WFGROGHWFFQBTQ-IAGOWNOFSA-N 2 1 335.492 1.336 20 30 EDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973501 701015724 /nfs/dbraw/zinc/01/57/24/701015724.db2.gz WFGROGHWFFQBTQ-IAGOWNOFSA-N 2 1 335.492 1.336 20 30 EDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973501 701015726 /nfs/dbraw/zinc/01/57/26/701015726.db2.gz WFGROGHWFFQBTQ-IAGOWNOFSA-N 2 1 335.492 1.336 20 30 EDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942055960 702503567 /nfs/dbraw/zinc/50/35/67/702503567.db2.gz DANCFMQZUQOVTO-JKSUJKDBSA-N 2 1 333.480 1.461 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)no2)CC1 ZINC000996685487 702983283 /nfs/dbraw/zinc/98/32/83/702983283.db2.gz PUUZQTAIAHXMHT-KRWDZBQOSA-N 2 1 330.432 1.161 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)no2)CC1 ZINC000996685487 702983285 /nfs/dbraw/zinc/98/32/85/702983285.db2.gz PUUZQTAIAHXMHT-KRWDZBQOSA-N 2 1 330.432 1.161 20 30 EDEDMP C=C(Br)C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000996996155 703251853 /nfs/dbraw/zinc/25/18/53/703251853.db2.gz VPEUARWPUNOIPN-CYBMUJFWSA-N 2 1 344.297 1.960 20 30 EDEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997228421 703504202 /nfs/dbraw/zinc/50/42/02/703504202.db2.gz IZEGCZUQBDBXCR-XDAPHXNSSA-N 2 1 345.487 1.090 20 30 EDEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997872154 704777436 /nfs/dbraw/zinc/77/74/36/704777436.db2.gz UJJSXBSTOXIUDF-FUHWJXTLSA-N 2 1 337.508 1.890 20 30 EDEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997872154 704777437 /nfs/dbraw/zinc/77/74/37/704777437.db2.gz UJJSXBSTOXIUDF-FUHWJXTLSA-N 2 1 337.508 1.890 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CC3)C[C@H]2C)CC1 ZINC000945179377 705211277 /nfs/dbraw/zinc/21/12/77/705211277.db2.gz HSKATWPIVFAUIB-APWZRJJASA-N 2 1 331.504 1.958 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000998271708 705651468 /nfs/dbraw/zinc/65/14/68/705651468.db2.gz HQLFXNCEDKTFMY-IBGZPJMESA-N 2 1 340.471 1.838 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC000998721656 706152956 /nfs/dbraw/zinc/15/29/56/706152956.db2.gz NFPLDCVWZRSYTI-WMZOPIPTSA-N 2 1 344.434 1.872 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000999390253 706903169 /nfs/dbraw/zinc/90/31/69/706903169.db2.gz FVLYPQDBBNPMTK-ZBFHGGJFSA-N 2 1 332.473 1.321 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000999390253 706903170 /nfs/dbraw/zinc/90/31/70/706903170.db2.gz FVLYPQDBBNPMTK-ZBFHGGJFSA-N 2 1 332.473 1.321 20 30 EDEDMP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999995173 707673612 /nfs/dbraw/zinc/67/36/12/707673612.db2.gz DRYYFTOEZVAMNR-DLBZAZTESA-N 2 1 346.479 1.202 20 30 EDEDMP C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995173 707673616 /nfs/dbraw/zinc/67/36/16/707673616.db2.gz DRYYFTOEZVAMNR-DLBZAZTESA-N 2 1 346.479 1.202 20 30 EDEDMP C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995173 707673620 /nfs/dbraw/zinc/67/36/20/707673620.db2.gz DRYYFTOEZVAMNR-DLBZAZTESA-N 2 1 346.479 1.202 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001000920758 708076793 /nfs/dbraw/zinc/07/67/93/708076793.db2.gz WNUUKXTUADDOCJ-MAUKXSAKSA-N 2 1 344.434 1.730 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001000921102 708076942 /nfs/dbraw/zinc/07/69/42/708076942.db2.gz WNUUKXTUADDOCJ-YJBOKZPZSA-N 2 1 344.434 1.730 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CN(CC)CCO3)C2)C1 ZINC001040538872 708563212 /nfs/dbraw/zinc/56/32/12/708563212.db2.gz LZBWUXVAXCWJAF-IEBWSBKVSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001040538872 708563215 /nfs/dbraw/zinc/56/32/15/708563215.db2.gz LZBWUXVAXCWJAF-IEBWSBKVSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001040538872 708563218 /nfs/dbraw/zinc/56/32/18/708563218.db2.gz LZBWUXVAXCWJAF-IEBWSBKVSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040538872 708563222 /nfs/dbraw/zinc/56/32/22/708563222.db2.gz LZBWUXVAXCWJAF-IEBWSBKVSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040538872 708563226 /nfs/dbraw/zinc/56/32/26/708563226.db2.gz LZBWUXVAXCWJAF-IEBWSBKVSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCc2cccs2)CC1 ZINC001003055552 709904523 /nfs/dbraw/zinc/90/45/23/709904523.db2.gz ISBSQCPRLAWIRJ-SFHVURJKSA-N 2 1 345.512 1.969 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCc2cccs2)CC1 ZINC001003055552 709904524 /nfs/dbraw/zinc/90/45/24/709904524.db2.gz ISBSQCPRLAWIRJ-SFHVURJKSA-N 2 1 345.512 1.969 20 30 EDEDMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003636932 710466796 /nfs/dbraw/zinc/46/67/96/710466796.db2.gz YSWJEDGJQNCCPN-PXNSSMCTSA-N 2 1 339.483 1.816 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003636932 710466798 /nfs/dbraw/zinc/46/67/98/710466798.db2.gz YSWJEDGJQNCCPN-PXNSSMCTSA-N 2 1 339.483 1.816 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004484735 711864153 /nfs/dbraw/zinc/86/41/53/711864153.db2.gz LXOBJBVBRXYFIY-SFHVURJKSA-N 2 1 328.460 1.918 20 30 EDEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004484735 711864154 /nfs/dbraw/zinc/86/41/54/711864154.db2.gz LXOBJBVBRXYFIY-SFHVURJKSA-N 2 1 328.460 1.918 20 30 EDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033143556 711952962 /nfs/dbraw/zinc/95/29/62/711952962.db2.gz HVPATKRQSYFTFE-QZTJIDSGSA-N 2 1 333.476 1.186 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033143556 711952964 /nfs/dbraw/zinc/95/29/64/711952964.db2.gz HVPATKRQSYFTFE-QZTJIDSGSA-N 2 1 333.476 1.186 20 30 EDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033143556 711952965 /nfs/dbraw/zinc/95/29/65/711952965.db2.gz HVPATKRQSYFTFE-QZTJIDSGSA-N 2 1 333.476 1.186 20 30 EDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033143556 711952967 /nfs/dbraw/zinc/95/29/67/711952967.db2.gz HVPATKRQSYFTFE-QZTJIDSGSA-N 2 1 333.476 1.186 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001004585785 712019417 /nfs/dbraw/zinc/01/94/17/712019417.db2.gz KXQYLUKOJSDKJI-IBGZPJMESA-N 2 1 347.503 1.433 20 30 EDEDMP C[C@@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000561091699 306282099 /nfs/dbraw/zinc/28/20/99/306282099.db2.gz KRRKKNNUJJNJKD-QGZVFWFLSA-N 2 1 340.471 1.934 20 30 EDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000561091699 306282100 /nfs/dbraw/zinc/28/21/00/306282100.db2.gz KRRKKNNUJJNJKD-QGZVFWFLSA-N 2 1 340.471 1.934 20 30 EDEDMP C[C@@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000561091699 306282101 /nfs/dbraw/zinc/28/21/01/306282101.db2.gz KRRKKNNUJJNJKD-QGZVFWFLSA-N 2 1 340.471 1.934 20 30 EDEDMP C[C@@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000561091699 306282102 /nfs/dbraw/zinc/28/21/02/306282102.db2.gz KRRKKNNUJJNJKD-QGZVFWFLSA-N 2 1 340.471 1.934 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000275756659 201286924 /nfs/dbraw/zinc/28/69/24/201286924.db2.gz ZHFZPPGXUNSVEZ-HNNXBMFYSA-N 2 1 331.464 1.785 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245925854 249305070 /nfs/dbraw/zinc/30/50/70/249305070.db2.gz OEBKPCMWXUYYJJ-QZTJIDSGSA-N 2 1 334.508 1.287 20 30 EDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000350225087 250058770 /nfs/dbraw/zinc/05/87/70/250058770.db2.gz USARCXCFNMLDDG-AEFFLSMTSA-N 2 1 338.496 1.474 20 30 EDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000350225087 250058774 /nfs/dbraw/zinc/05/87/74/250058774.db2.gz USARCXCFNMLDDG-AEFFLSMTSA-N 2 1 338.496 1.474 20 30 EDEDMP C#CCCCNC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371819937 250213587 /nfs/dbraw/zinc/21/35/87/250213587.db2.gz BBYRACCGRNJPQC-UHFFFAOYSA-N 2 1 334.508 1.895 20 30 EDEDMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1 ZINC000373224369 250235269 /nfs/dbraw/zinc/23/52/69/250235269.db2.gz SQJDQJUZDUCFCP-OKYOBFRVSA-N 2 1 334.508 1.843 20 30 EDEDMP C#C[C@H](C)[N@H+](C)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000491682352 255140804 /nfs/dbraw/zinc/14/08/04/255140804.db2.gz RQOFEIIBXFRMGH-INIZCTEOSA-N 2 1 341.455 1.219 20 30 EDEDMP C#C[C@H](C)[N@@H+](C)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000491682352 255140806 /nfs/dbraw/zinc/14/08/06/255140806.db2.gz RQOFEIIBXFRMGH-INIZCTEOSA-N 2 1 341.455 1.219 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1[C@@H]2c3ccccc3CC[C@H]12 ZINC000119574189 441942129 /nfs/dbraw/zinc/94/21/29/441942129.db2.gz XCELODAURDKHIO-GUDVDZBRSA-N 2 1 342.487 1.589 20 30 EDEDMP CN1CC[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)c2ccccc21 ZINC000170907748 442286865 /nfs/dbraw/zinc/28/68/65/442286865.db2.gz SOHAIEZVPXXSKL-MRXNPFEDSA-N 2 1 345.491 1.237 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1-n1cccn1 ZINC000170912247 442286968 /nfs/dbraw/zinc/28/69/68/442286968.db2.gz ASUNKYOPEVGKJC-HNNXBMFYSA-N 2 1 327.436 1.156 20 30 EDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1C#N ZINC000133232259 442409493 /nfs/dbraw/zinc/40/94/93/442409493.db2.gz BGSVJBBAJBBECF-MRXNPFEDSA-N 2 1 340.431 1.675 20 30 EDEDMP Cc1ccc([C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)N(C)C)cc1 ZINC000264120816 443249766 /nfs/dbraw/zinc/24/97/66/443249766.db2.gz UUAIGCJDPOKJRQ-SFHVURJKSA-N 2 1 347.507 1.224 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](CO)Cc1ccc(F)cc1 ZINC000264128165 443250531 /nfs/dbraw/zinc/25/05/31/443250531.db2.gz WXVSMLCAQYPNMT-NVXWUHKLSA-N 2 1 336.455 1.365 20 30 EDEDMP COC[C@H](C)NC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000264132019 443251691 /nfs/dbraw/zinc/25/16/91/443251691.db2.gz YGEMQZQIDVHIES-GJZGRUSLSA-N 2 1 334.464 1.347 20 30 EDEDMP COC[C@H](C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000264132019 443251695 /nfs/dbraw/zinc/25/16/95/443251695.db2.gz YGEMQZQIDVHIES-GJZGRUSLSA-N 2 1 334.464 1.347 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(F)c(F)c1 ZINC000267447649 443460163 /nfs/dbraw/zinc/46/01/63/443460163.db2.gz QMHMADKSFFJFFS-GFCCVEGCSA-N 2 1 326.391 1.732 20 30 EDEDMP CC(C)(C)c1csc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000267470502 443469041 /nfs/dbraw/zinc/46/90/41/443469041.db2.gz XRWPQPKMTADXES-UHFFFAOYSA-N 2 1 339.509 1.567 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1c(F)cc(F)c(F)c1F ZINC000280384192 443708124 /nfs/dbraw/zinc/70/81/24/443708124.db2.gz MEHPFHOTRBGVAX-UHFFFAOYSA-N 2 1 348.344 1.370 20 30 EDEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCN(C(=O)OCC)CC2)C1 ZINC000303882904 444237777 /nfs/dbraw/zinc/23/77/77/444237777.db2.gz LZFXORJHJFRSNP-AWEZNQCLSA-N 2 1 339.484 1.244 20 30 EDEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000325257218 444362896 /nfs/dbraw/zinc/36/28/96/444362896.db2.gz MNOVIDUPCIJRCZ-CRAIPNDOSA-N 2 1 326.444 1.638 20 30 EDEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1(O)CC[NH+](C(C)C)CC1)C2 ZINC000329560391 444629647 /nfs/dbraw/zinc/62/96/47/444629647.db2.gz ISRBBRQSXYODKC-HNNXBMFYSA-N 2 1 334.464 1.946 20 30 EDEDMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000341236348 444742754 /nfs/dbraw/zinc/74/27/54/444742754.db2.gz OGNNPGZTIYQRDQ-VQIMIIECSA-N 2 1 340.471 1.790 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000341236348 444742760 /nfs/dbraw/zinc/74/27/60/444742760.db2.gz OGNNPGZTIYQRDQ-VQIMIIECSA-N 2 1 340.471 1.790 20 30 EDEDMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000341236348 444742764 /nfs/dbraw/zinc/74/27/64/444742764.db2.gz OGNNPGZTIYQRDQ-VQIMIIECSA-N 2 1 340.471 1.790 20 30 EDEDMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000341236348 444742766 /nfs/dbraw/zinc/74/27/66/444742766.db2.gz OGNNPGZTIYQRDQ-VQIMIIECSA-N 2 1 340.471 1.790 20 30 EDEDMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000329930359 444773720 /nfs/dbraw/zinc/77/37/20/444773720.db2.gz OIQRMZZUYGALIZ-CVEARBPZSA-N 2 1 338.496 1.352 20 30 EDEDMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCn4ccnc4C3)CC2)c1 ZINC000330186321 444878239 /nfs/dbraw/zinc/87/82/39/444878239.db2.gz JSDXFINRCKSMNW-OAHLLOKOSA-N 2 1 340.431 1.638 20 30 EDEDMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)n1C ZINC000330158800 444866841 /nfs/dbraw/zinc/86/68/41/444866841.db2.gz ZYHGJHUEFSRNNL-UKRRQHHQSA-N 2 1 334.468 1.316 20 30 EDEDMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1C ZINC000330158800 444866843 /nfs/dbraw/zinc/86/68/43/444866843.db2.gz ZYHGJHUEFSRNNL-UKRRQHHQSA-N 2 1 334.468 1.316 20 30 EDEDMP C[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)cc1F ZINC000358566652 445654081 /nfs/dbraw/zinc/65/40/81/445654081.db2.gz BJATXPVWENLIQC-HIFRSBDPSA-N 2 1 332.423 1.935 20 30 EDEDMP C=CCOCCC[N@@H+]1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451523653 447736926 /nfs/dbraw/zinc/73/69/26/447736926.db2.gz ATJLQCMRPMPSEV-LJQANCHMSA-N 2 1 337.508 1.845 20 30 EDEDMP C=CCOCCC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451523653 447736930 /nfs/dbraw/zinc/73/69/30/447736930.db2.gz ATJLQCMRPMPSEV-LJQANCHMSA-N 2 1 337.508 1.845 20 30 EDEDMP C=CCOCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451523653 447736933 /nfs/dbraw/zinc/73/69/33/447736933.db2.gz ATJLQCMRPMPSEV-LJQANCHMSA-N 2 1 337.508 1.845 20 30 EDEDMP C=CCOCCC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451523653 447736937 /nfs/dbraw/zinc/73/69/37/447736937.db2.gz ATJLQCMRPMPSEV-LJQANCHMSA-N 2 1 337.508 1.845 20 30 EDEDMP C=CCOCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451523653 447736939 /nfs/dbraw/zinc/73/69/39/447736939.db2.gz ATJLQCMRPMPSEV-LJQANCHMSA-N 2 1 337.508 1.845 20 30 EDEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184025 448727311 /nfs/dbraw/zinc/72/73/11/448727311.db2.gz XMCZEOCWPGUINF-UHFFFAOYSA-N 2 1 345.443 1.742 20 30 EDEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184025 448727315 /nfs/dbraw/zinc/72/73/15/448727315.db2.gz XMCZEOCWPGUINF-UHFFFAOYSA-N 2 1 345.443 1.742 20 30 EDEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000595892775 449237140 /nfs/dbraw/zinc/23/71/40/449237140.db2.gz NETSBAIUKORYPR-SFHVURJKSA-N 2 1 326.444 1.245 20 30 EDEDMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000619622479 450286051 /nfs/dbraw/zinc/28/60/51/450286051.db2.gz DMXGHEHMEHQNNG-GOSISDBHSA-N 2 1 331.460 1.910 20 30 EDEDMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000619622479 450286052 /nfs/dbraw/zinc/28/60/52/450286052.db2.gz DMXGHEHMEHQNNG-GOSISDBHSA-N 2 1 331.460 1.910 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1csc([C@H](C)OC)n1 ZINC000267626134 535596957 /nfs/dbraw/zinc/59/69/57/535596957.db2.gz GSDGHAXXXGECNE-AAEUAGOBSA-N 2 1 325.482 1.739 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000740735781 579383165 /nfs/dbraw/zinc/38/31/65/579383165.db2.gz PGMRUSMLPUPDTG-SCTDSRPQSA-N 2 1 349.519 1.724 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000740735781 579383166 /nfs/dbraw/zinc/38/31/66/579383166.db2.gz PGMRUSMLPUPDTG-SCTDSRPQSA-N 2 1 349.519 1.724 20 30 EDEDMP Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cnn1CCC#N ZINC000898585466 591423226 /nfs/dbraw/zinc/42/32/26/591423226.db2.gz YORRISPBALKVOR-AWEZNQCLSA-N 2 1 334.468 1.107 20 30 EDEDMP Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cnn1CCC#N ZINC000898585466 591423228 /nfs/dbraw/zinc/42/32/28/591423228.db2.gz YORRISPBALKVOR-AWEZNQCLSA-N 2 1 334.468 1.107 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000900192823 591935749 /nfs/dbraw/zinc/93/57/49/591935749.db2.gz XIGOEGPRKCNUBX-UHFFFAOYSA-N 2 1 330.476 1.880 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900600525 592065264 /nfs/dbraw/zinc/06/52/64/592065264.db2.gz XDWMWBKDCPZVEQ-UHFFFAOYSA-N 2 1 336.524 1.559 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000900635578 592077736 /nfs/dbraw/zinc/07/77/36/592077736.db2.gz DQVACKMNSSZBPM-INIZCTEOSA-N 2 1 331.464 1.686 20 30 EDEDMP Cc1cc(F)cc2c1ncc(C#N)c2NCC[NH+]1CCC([NH3+])CC1 ZINC000905706601 592618099 /nfs/dbraw/zinc/61/80/99/592618099.db2.gz SUMFSHUPPZAVEV-UHFFFAOYSA-N 2 1 327.407 1.811 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000907555294 592705473 /nfs/dbraw/zinc/70/54/73/592705473.db2.gz UPBNEXCVLBZZKU-HXUWFJFHSA-N 2 1 345.487 1.590 20 30 EDEDMP CS[C@H](C)CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912506532 593101304 /nfs/dbraw/zinc/10/13/04/593101304.db2.gz PAXIXRJIEXDSQS-CQSZACIVSA-N 2 1 330.542 1.794 20 30 EDEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852862650 595583209 /nfs/dbraw/zinc/58/32/09/595583209.db2.gz ICTHLHHCZCALFB-VQIMIIECSA-N 2 1 325.456 1.941 20 30 EDEDMP C#CCNC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856598241 596028703 /nfs/dbraw/zinc/02/87/03/596028703.db2.gz SGZCPVYBRBYNPY-SFHVURJKSA-N 2 1 344.459 1.124 20 30 EDEDMP C#CCNC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856598241 596028708 /nfs/dbraw/zinc/02/87/08/596028708.db2.gz SGZCPVYBRBYNPY-SFHVURJKSA-N 2 1 344.459 1.124 20 30 EDEDMP C#CCNC(=O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598241 596028710 /nfs/dbraw/zinc/02/87/10/596028710.db2.gz SGZCPVYBRBYNPY-SFHVURJKSA-N 2 1 344.459 1.124 20 30 EDEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598241 596028714 /nfs/dbraw/zinc/02/87/14/596028714.db2.gz SGZCPVYBRBYNPY-SFHVURJKSA-N 2 1 344.459 1.124 20 30 EDEDMP C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[NH+]1CCC(C)CC1 ZINC000876741569 597316661 /nfs/dbraw/zinc/31/66/61/597316661.db2.gz OBBLTYZVABRCPL-KXBFYZLASA-N 2 1 340.471 1.982 20 30 EDEDMP C[C@@H]1[C@H](O)CC[NH+]1Cc1cc(C#N)cc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1 ZINC000878685318 597678683 /nfs/dbraw/zinc/67/86/83/597678683.db2.gz UBLCMRMLIXYFFV-TWKYDXJASA-N 2 1 329.444 1.468 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001031741292 698314157 /nfs/dbraw/zinc/31/41/57/698314157.db2.gz VOTYDMJUBKWUFJ-OALUTQOASA-N 2 1 347.503 1.073 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001031741292 698314158 /nfs/dbraw/zinc/31/41/58/698314158.db2.gz VOTYDMJUBKWUFJ-OALUTQOASA-N 2 1 347.503 1.073 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000939745984 699911765 /nfs/dbraw/zinc/91/17/65/699911765.db2.gz FQZIXAWTOKCYCN-KSSFIOAISA-N 2 1 337.427 1.700 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cscn3)[C@@H](C)C2)CC1 ZINC000939813017 699960438 /nfs/dbraw/zinc/96/04/38/699960438.db2.gz XMVCGTTXUQRMOA-YOEHRIQHSA-N 2 1 346.500 1.425 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000940158242 700290632 /nfs/dbraw/zinc/29/06/32/700290632.db2.gz WISJZRYKDHQNAI-ROUUACIJSA-N 2 1 347.503 1.481 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000940158242 700290639 /nfs/dbraw/zinc/29/06/39/700290639.db2.gz WISJZRYKDHQNAI-ROUUACIJSA-N 2 1 347.503 1.481 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901838 700976625 /nfs/dbraw/zinc/97/66/25/700976625.db2.gz QXZIHSNPFLCLRM-ZEVUXNIQSA-N 2 1 345.487 1.090 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973833 701015857 /nfs/dbraw/zinc/01/58/57/701015857.db2.gz XNQOAATVNVSAHX-IAGOWNOFSA-N 2 1 337.508 1.888 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973833 701015858 /nfs/dbraw/zinc/01/58/58/701015858.db2.gz XNQOAATVNVSAHX-IAGOWNOFSA-N 2 1 337.508 1.888 20 30 EDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973833 701015860 /nfs/dbraw/zinc/01/58/60/701015860.db2.gz XNQOAATVNVSAHX-IAGOWNOFSA-N 2 1 337.508 1.888 20 30 EDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973833 701015862 /nfs/dbraw/zinc/01/58/62/701015862.db2.gz XNQOAATVNVSAHX-IAGOWNOFSA-N 2 1 337.508 1.888 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)COC)CC2(C)C)CC1 ZINC000941236848 701427563 /nfs/dbraw/zinc/42/75/63/701427563.db2.gz BOHMDDJJEBCQIA-FUHWJXTLSA-N 2 1 349.519 1.583 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC000941410655 701527009 /nfs/dbraw/zinc/52/70/09/701527009.db2.gz LCQFGGXTKAPPJK-UHFFFAOYSA-N 2 1 348.535 1.655 20 30 EDEDMP C=C(C)CN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000996766251 703057552 /nfs/dbraw/zinc/05/75/52/703057552.db2.gz PBRUKTQEGYJXNF-ACBHZAAOSA-N 2 1 348.535 1.702 20 30 EDEDMP C=CCN1CC[NH+](C2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996795772 703080407 /nfs/dbraw/zinc/08/04/07/703080407.db2.gz RMSLHSFIYRVZAZ-LMDPOFIKSA-N 2 1 348.535 1.559 20 30 EDEDMP C#CCN1CC[NH+](C2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000996788781 703081333 /nfs/dbraw/zinc/08/13/33/703081333.db2.gz LCGIKNQPAQBKQP-VIQWUECVSA-N 2 1 346.519 1.006 20 30 EDEDMP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999512794 707011429 /nfs/dbraw/zinc/01/14/29/707011429.db2.gz RELKQGRUUVHQIQ-ZIAGYGMSSA-N 2 1 344.297 1.960 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999836754 707471902 /nfs/dbraw/zinc/47/19/02/707471902.db2.gz LFFKDIHYBWSLRP-WWDZGPRUSA-N 2 1 326.444 1.589 20 30 EDEDMP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001033419578 707827687 /nfs/dbraw/zinc/82/76/87/707827687.db2.gz KCJXREJWZISOLX-AZUAARDMSA-N 2 1 339.483 1.913 20 30 EDEDMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001033419578 707827689 /nfs/dbraw/zinc/82/76/89/707827689.db2.gz KCJXREJWZISOLX-AZUAARDMSA-N 2 1 339.483 1.913 20 30 EDEDMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001033419578 707827692 /nfs/dbraw/zinc/82/76/92/707827692.db2.gz KCJXREJWZISOLX-AZUAARDMSA-N 2 1 339.483 1.913 20 30 EDEDMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001033419578 707827694 /nfs/dbraw/zinc/82/76/94/707827694.db2.gz KCJXREJWZISOLX-AZUAARDMSA-N 2 1 339.483 1.913 20 30 EDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001142653 708106593 /nfs/dbraw/zinc/10/65/93/708106593.db2.gz AHXIEPADIFRIRK-KRWDZBQOSA-N 2 1 326.444 1.526 20 30 EDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001142653 708106594 /nfs/dbraw/zinc/10/65/94/708106594.db2.gz AHXIEPADIFRIRK-KRWDZBQOSA-N 2 1 326.444 1.526 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033662954 708479221 /nfs/dbraw/zinc/47/92/21/708479221.db2.gz SZQXWJSOFLLVJK-MSOLQXFVSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033662954 708479224 /nfs/dbraw/zinc/47/92/24/708479224.db2.gz SZQXWJSOFLLVJK-MSOLQXFVSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033662954 708479227 /nfs/dbraw/zinc/47/92/27/708479227.db2.gz SZQXWJSOFLLVJK-MSOLQXFVSA-N 2 1 326.444 1.543 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3conc3C)C2)CC1 ZINC001033683505 708495123 /nfs/dbraw/zinc/49/51/23/708495123.db2.gz HONRKOOPGRGSSR-GOSISDBHSA-N 2 1 344.459 1.361 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3conc3C)C2)CC1 ZINC001033683505 708495124 /nfs/dbraw/zinc/49/51/24/708495124.db2.gz HONRKOOPGRGSSR-GOSISDBHSA-N 2 1 344.459 1.361 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001002120190 708634090 /nfs/dbraw/zinc/63/40/90/708634090.db2.gz HXKQKRRZNZKLIL-LJQANCHMSA-N 2 1 340.471 1.838 20 30 EDEDMP C=C(Br)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002121197 708635004 /nfs/dbraw/zinc/63/50/04/708635004.db2.gz PRRWMHWOIHDGBX-CQSZACIVSA-N 2 1 344.297 1.675 20 30 EDEDMP C=C(Br)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002121197 708635006 /nfs/dbraw/zinc/63/50/06/708635006.db2.gz PRRWMHWOIHDGBX-CQSZACIVSA-N 2 1 344.297 1.675 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2conc2C)CC1 ZINC001034663647 710332929 /nfs/dbraw/zinc/33/29/29/710332929.db2.gz FWRJTRWCAOJKPZ-BZSNNMDCSA-N 2 1 344.459 1.598 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2conc2C)CC1 ZINC001034663647 710332932 /nfs/dbraw/zinc/33/29/32/710332932.db2.gz FWRJTRWCAOJKPZ-BZSNNMDCSA-N 2 1 344.459 1.598 20 30 EDEDMP C=CCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000922390926 711454553 /nfs/dbraw/zinc/45/45/53/711454553.db2.gz PIPAVKYVPKLPFF-BDXSIMOUSA-N 2 1 333.480 1.424 20 30 EDEDMP C=CCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000922390926 711454555 /nfs/dbraw/zinc/45/45/55/711454555.db2.gz PIPAVKYVPKLPFF-BDXSIMOUSA-N 2 1 333.480 1.424 20 30 EDEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000329399647 539433929 /nfs/dbraw/zinc/43/39/29/539433929.db2.gz YKZAEHPYYZBLJA-MRXNPFEDSA-N 2 1 339.528 1.390 20 30 EDEDMP N#Cc1ccc(CN2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2=O)cc1 ZINC000249067681 139184612 /nfs/dbraw/zinc/18/46/12/139184612.db2.gz PZBLPEPYUGFRKZ-QYZOEREBSA-N 2 1 338.455 1.876 20 30 EDEDMP N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2=O)cc1 ZINC000249067681 139184613 /nfs/dbraw/zinc/18/46/13/139184613.db2.gz PZBLPEPYUGFRKZ-QYZOEREBSA-N 2 1 338.455 1.876 20 30 EDEDMP N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2=O)cc1 ZINC000249067681 139184614 /nfs/dbraw/zinc/18/46/14/139184614.db2.gz PZBLPEPYUGFRKZ-QYZOEREBSA-N 2 1 338.455 1.876 20 30 EDEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CCCC#N)c2)CCO1 ZINC000424159431 252149395 /nfs/dbraw/zinc/14/93/95/252149395.db2.gz SSPJKKBLSOZNQN-MAUKXSAKSA-N 2 1 344.459 1.545 20 30 EDEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CCCC#N)c2)CCO1 ZINC000424159431 252149397 /nfs/dbraw/zinc/14/93/97/252149397.db2.gz SSPJKKBLSOZNQN-MAUKXSAKSA-N 2 1 344.459 1.545 20 30 EDEDMP CC[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000424132922 252136075 /nfs/dbraw/zinc/13/60/75/252136075.db2.gz LHERRYCZBKMTEZ-QZTJIDSGSA-N 2 1 328.460 1.961 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC3CC[NH2+]CC3)CC2)cc1 ZINC000333853802 141395138 /nfs/dbraw/zinc/39/51/38/141395138.db2.gz XVDBVWMSKICRHJ-UHFFFAOYSA-N 2 1 341.459 1.528 20 30 EDEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)c(F)c1 ZINC000346216393 143179827 /nfs/dbraw/zinc/17/98/27/143179827.db2.gz SURJWNIUHTYDAT-CZUORRHYSA-N 2 1 332.423 1.935 20 30 EDEDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)c(F)c1 ZINC000346216393 143179828 /nfs/dbraw/zinc/17/98/28/143179828.db2.gz SURJWNIUHTYDAT-CZUORRHYSA-N 2 1 332.423 1.935 20 30 EDEDMP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1Cl ZINC000153392834 442280119 /nfs/dbraw/zinc/28/01/19/442280119.db2.gz ZTGBVJBZMDTMIT-UHFFFAOYSA-N 2 1 340.855 1.475 20 30 EDEDMP CCCNc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000193062539 442709295 /nfs/dbraw/zinc/70/92/95/442709295.db2.gz QFQHFCZXPKDBKF-UHFFFAOYSA-N 2 1 333.480 1.635 20 30 EDEDMP C[NH+]=C(NC[C@H]1CCCO1)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000262426108 443194261 /nfs/dbraw/zinc/19/42/61/443194261.db2.gz RQSOUPATYLXXNQ-QGZVFWFLSA-N 2 1 330.476 1.430 20 30 EDEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)C1 ZINC000264063922 443247794 /nfs/dbraw/zinc/24/77/94/443247794.db2.gz ALCGNWJYSRKUMG-HNNXBMFYSA-N 2 1 334.464 1.492 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185735892 443247563 /nfs/dbraw/zinc/24/75/63/443247563.db2.gz NDFLHWPLAGIRDG-SOUVJXGZSA-N 2 1 336.480 1.629 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185735892 443247568 /nfs/dbraw/zinc/24/75/68/443247568.db2.gz NDFLHWPLAGIRDG-SOUVJXGZSA-N 2 1 336.480 1.629 20 30 EDEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)N(C)c1ccccc1 ZINC000264134125 443251809 /nfs/dbraw/zinc/25/18/09/443251809.db2.gz YZSGGMXHGJKLJO-INIZCTEOSA-N 2 1 333.480 1.138 20 30 EDEDMP [NH2+]=C(NCCCOCCc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000264129886 443252033 /nfs/dbraw/zinc/25/20/33/443252033.db2.gz XSFUBHDOWPDUSP-UHFFFAOYSA-N 2 1 348.491 1.262 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cc2ccccc2o1 ZINC000267409341 443447366 /nfs/dbraw/zinc/44/73/66/443447366.db2.gz HURHNJYSIALYIK-UHFFFAOYSA-N 2 1 330.432 1.602 20 30 EDEDMP CCSc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000291956814 443773320 /nfs/dbraw/zinc/77/33/20/443773320.db2.gz RAWHKLWHFPKSFC-UHFFFAOYSA-N 2 1 336.505 1.925 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000297471183 444290032 /nfs/dbraw/zinc/29/00/32/444290032.db2.gz UTPUIBYLDHERQP-GOSISDBHSA-N 2 1 330.476 1.414 20 30 EDEDMP CC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000330482408 444999313 /nfs/dbraw/zinc/99/93/13/444999313.db2.gz WWBLNMOAAYHUJK-MRXNPFEDSA-N 2 1 326.485 1.331 20 30 EDEDMP C=C(C)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(CO)o1 ZINC000352801923 445555904 /nfs/dbraw/zinc/55/59/04/445555904.db2.gz UNQAPCHSOROLOF-UHFFFAOYSA-N 2 1 335.448 1.314 20 30 EDEDMP C=C(C)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(CO)o1 ZINC000352801923 445555911 /nfs/dbraw/zinc/55/59/11/445555911.db2.gz UNQAPCHSOROLOF-UHFFFAOYSA-N 2 1 335.448 1.314 20 30 EDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369406404 446116957 /nfs/dbraw/zinc/11/69/57/446116957.db2.gz JPKJZAWLTKYYGX-GOSISDBHSA-N 2 1 334.508 1.287 20 30 EDEDMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1(C)C ZINC000374241570 446359862 /nfs/dbraw/zinc/35/98/62/446359862.db2.gz NZWRVKHKQUXPSH-TVFCKZIOSA-N 2 1 334.508 1.842 20 30 EDEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375477038 446829862 /nfs/dbraw/zinc/82/98/62/446829862.db2.gz WRTNRCCFPFVTJE-SJLPKXTDSA-N 2 1 344.459 1.671 20 30 EDEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375477038 446829872 /nfs/dbraw/zinc/82/98/72/446829872.db2.gz WRTNRCCFPFVTJE-SJLPKXTDSA-N 2 1 344.459 1.671 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419457457 447191134 /nfs/dbraw/zinc/19/11/34/447191134.db2.gz WLJQURRXYAVOPC-CVEARBPZSA-N 2 1 338.496 1.123 20 30 EDEDMP C#CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC000490900445 447906895 /nfs/dbraw/zinc/90/68/95/447906895.db2.gz VOQCEFGKCZYQKK-UHFFFAOYSA-N 2 1 327.476 1.996 20 30 EDEDMP C#CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC000490900445 447906903 /nfs/dbraw/zinc/90/69/03/447906903.db2.gz VOQCEFGKCZYQKK-UHFFFAOYSA-N 2 1 327.476 1.996 20 30 EDEDMP C#CCNC(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000491495318 448043758 /nfs/dbraw/zinc/04/37/58/448043758.db2.gz IKXMJXIZGOCVIF-RBUKOAKNSA-N 2 1 325.456 1.580 20 30 EDEDMP C#CCNC(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000491495318 448043765 /nfs/dbraw/zinc/04/37/65/448043765.db2.gz IKXMJXIZGOCVIF-RBUKOAKNSA-N 2 1 325.456 1.580 20 30 EDEDMP C#CCNC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000491495318 448043773 /nfs/dbraw/zinc/04/37/73/448043773.db2.gz IKXMJXIZGOCVIF-RBUKOAKNSA-N 2 1 325.456 1.580 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000576815945 448144710 /nfs/dbraw/zinc/14/47/10/448144710.db2.gz DFJFZKWBAHWQCU-MRXNPFEDSA-N 2 1 349.431 1.965 20 30 EDEDMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000572028569 448267595 /nfs/dbraw/zinc/26/75/95/448267595.db2.gz CMGCQXSJXZYXST-ZWKOTPCHSA-N 2 1 331.460 1.814 20 30 EDEDMP C=CC[N@H+](CCN1CC[NH2+]CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000567896526 448780872 /nfs/dbraw/zinc/78/08/72/448780872.db2.gz YJNJPPFBOUOJHY-INIZCTEOSA-N 2 1 341.463 1.117 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000520219136 448872046 /nfs/dbraw/zinc/87/20/46/448872046.db2.gz WGFDIBQHVROGKI-MRXNPFEDSA-N 2 1 348.443 1.785 20 30 EDEDMP C[C@H]1CC[N@@H+](CC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000594239558 449405798 /nfs/dbraw/zinc/40/57/98/449405798.db2.gz RNLULFYENLEQJR-INIZCTEOSA-N 2 1 328.460 1.790 20 30 EDEDMP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000598730431 449568344 /nfs/dbraw/zinc/56/83/44/449568344.db2.gz VIDUFENCWSSANH-GBESFXJTSA-N 2 1 345.487 1.760 20 30 EDEDMP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000598730431 449568352 /nfs/dbraw/zinc/56/83/52/449568352.db2.gz VIDUFENCWSSANH-GBESFXJTSA-N 2 1 345.487 1.760 20 30 EDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599335337 449901021 /nfs/dbraw/zinc/90/10/21/449901021.db2.gz SPSKBEDBXQQDHG-QGZVFWFLSA-N 2 1 328.416 1.825 20 30 EDEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000599335337 449901026 /nfs/dbraw/zinc/90/10/26/449901026.db2.gz SPSKBEDBXQQDHG-QGZVFWFLSA-N 2 1 328.416 1.825 20 30 EDEDMP C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000610162866 450150270 /nfs/dbraw/zinc/15/02/70/450150270.db2.gz JOFXZASRGOUHOB-QZTJIDSGSA-N 2 1 331.460 1.766 20 30 EDEDMP C[NH+](C[C@@H](O)COc1ccc(CC#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000610162866 450150271 /nfs/dbraw/zinc/15/02/71/450150271.db2.gz JOFXZASRGOUHOB-QZTJIDSGSA-N 2 1 331.460 1.766 20 30 EDEDMP C[NH+](C[C@@H](O)COc1ccc(CC#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000610162866 450150274 /nfs/dbraw/zinc/15/02/74/450150274.db2.gz JOFXZASRGOUHOB-QZTJIDSGSA-N 2 1 331.460 1.766 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2c(c1)OCCCO2 ZINC000104181651 529100859 /nfs/dbraw/zinc/10/08/59/529100859.db2.gz BYROJYKUKXUSPB-HNNXBMFYSA-N 2 1 332.448 1.737 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000764425831 580119652 /nfs/dbraw/zinc/11/96/52/580119652.db2.gz USGTVDNCMHNVNF-INIZCTEOSA-N 2 1 330.432 1.193 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000764425831 580119653 /nfs/dbraw/zinc/11/96/53/580119653.db2.gz USGTVDNCMHNVNF-INIZCTEOSA-N 2 1 330.432 1.193 20 30 EDEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765796025 580151490 /nfs/dbraw/zinc/15/14/90/580151490.db2.gz IKJYFECXKBTFQZ-SJLPKXTDSA-N 2 1 343.471 1.937 20 30 EDEDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OCC#N)cc1 ZINC000776157871 580409925 /nfs/dbraw/zinc/40/99/25/580409925.db2.gz UEGWHZRPONVGAT-DOTOQJQBSA-N 2 1 344.459 1.827 20 30 EDEDMP N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000905700363 592613812 /nfs/dbraw/zinc/61/38/12/592613812.db2.gz GDCWGFPBPHHABH-CALCHBBNSA-N 2 1 341.415 1.871 20 30 EDEDMP N#Cc1cccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000905702078 592615306 /nfs/dbraw/zinc/61/53/06/592615306.db2.gz TZLBNTLNDSXHMO-IYBDPMFKSA-N 2 1 341.415 1.871 20 30 EDEDMP CN(C)c1ccc(C#N)cc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000865450628 596579434 /nfs/dbraw/zinc/57/94/34/596579434.db2.gz ONKRDSVZBDECOO-INIZCTEOSA-N 2 1 343.475 1.301 20 30 EDEDMP CN(C)c1ccc(C#N)cc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000865450628 596579435 /nfs/dbraw/zinc/57/94/35/596579435.db2.gz ONKRDSVZBDECOO-INIZCTEOSA-N 2 1 343.475 1.301 20 30 EDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000876716929 597302470 /nfs/dbraw/zinc/30/24/70/597302470.db2.gz QRAVZUAZUSKHCZ-GJZGRUSLSA-N 2 1 331.888 1.710 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000939753729 699903432 /nfs/dbraw/zinc/90/34/32/699903432.db2.gz HYVWXFPRMDGVOY-RDTXWAMCSA-N 2 1 337.427 1.700 20 30 EDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032480 701074443 /nfs/dbraw/zinc/07/44/43/701074443.db2.gz HVTLNSMWJXKTAR-DOTOQJQBSA-N 2 1 328.460 1.604 20 30 EDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032480 701074447 /nfs/dbraw/zinc/07/44/47/701074447.db2.gz HVTLNSMWJXKTAR-DOTOQJQBSA-N 2 1 328.460 1.604 20 30 EDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032486 701074479 /nfs/dbraw/zinc/07/44/79/701074479.db2.gz HVTLNSMWJXKTAR-WBVHZDCISA-N 2 1 328.460 1.604 20 30 EDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032486 701074484 /nfs/dbraw/zinc/07/44/84/701074484.db2.gz HVTLNSMWJXKTAR-WBVHZDCISA-N 2 1 328.460 1.604 20 30 EDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944045813 702002548 /nfs/dbraw/zinc/00/25/48/702002548.db2.gz FGRJIAUQUOXMJI-QFBILLFUSA-N 2 1 331.504 1.958 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)on2)CC1 ZINC000996685850 702983645 /nfs/dbraw/zinc/98/36/45/702983645.db2.gz QZTONXPLEOMYKF-KRWDZBQOSA-N 2 1 330.432 1.161 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)on2)CC1 ZINC000996685850 702983646 /nfs/dbraw/zinc/98/36/46/702983646.db2.gz QZTONXPLEOMYKF-KRWDZBQOSA-N 2 1 330.432 1.161 20 30 EDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942718218 703231962 /nfs/dbraw/zinc/23/19/62/703231962.db2.gz DBQSUIICOPHZBN-LPHOPBHVSA-N 2 1 327.472 1.864 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001033095219 704181031 /nfs/dbraw/zinc/18/10/31/704181031.db2.gz UOGKWKRFFDWBGJ-PBHICJAKSA-N 2 1 331.464 1.899 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001033095219 704181034 /nfs/dbraw/zinc/18/10/34/704181034.db2.gz UOGKWKRFFDWBGJ-PBHICJAKSA-N 2 1 331.464 1.899 20 30 EDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597962 704309055 /nfs/dbraw/zinc/30/90/55/704309055.db2.gz SCUQFUNPLFROKZ-FCGDIQPGSA-N 2 1 345.487 1.043 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004456429 704449874 /nfs/dbraw/zinc/44/98/74/704449874.db2.gz GLBVQYIFBZVDJG-OALUTQOASA-N 2 1 347.503 1.169 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004456429 704449875 /nfs/dbraw/zinc/44/98/75/704449875.db2.gz GLBVQYIFBZVDJG-OALUTQOASA-N 2 1 347.503 1.169 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCCO)CC1 ZINC001004456429 704449876 /nfs/dbraw/zinc/44/98/76/704449876.db2.gz GLBVQYIFBZVDJG-OALUTQOASA-N 2 1 347.503 1.169 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCCO)CC1 ZINC001004456429 704449877 /nfs/dbraw/zinc/44/98/77/704449877.db2.gz GLBVQYIFBZVDJG-OALUTQOASA-N 2 1 347.503 1.169 20 30 EDEDMP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998557211 705996128 /nfs/dbraw/zinc/99/61/28/705996128.db2.gz RTUQDSPDKIMPIZ-BPCQOVAHSA-N 2 1 330.270 1.568 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000998722054 706153585 /nfs/dbraw/zinc/15/35/85/706153585.db2.gz NVSQBQMHZYITQN-MSOLQXFVSA-N 2 1 326.444 1.733 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000998721556 706157152 /nfs/dbraw/zinc/15/71/52/706157152.db2.gz MUGGWWQBXLUAPG-QZTJIDSGSA-N 2 1 326.444 1.733 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033580649 708261780 /nfs/dbraw/zinc/26/17/80/708261780.db2.gz GHVCKHPAWZTGTO-RBUKOAKNSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033580649 708261783 /nfs/dbraw/zinc/26/17/83/708261783.db2.gz GHVCKHPAWZTGTO-RBUKOAKNSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033580649 708261786 /nfs/dbraw/zinc/26/17/86/708261786.db2.gz GHVCKHPAWZTGTO-RBUKOAKNSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033592486 708291150 /nfs/dbraw/zinc/29/11/50/708291150.db2.gz HPSSIDVNJLUIRO-SFHVURJKSA-N 2 1 338.455 1.687 20 30 EDEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001034043557 709294952 /nfs/dbraw/zinc/29/49/52/709294952.db2.gz WJPXJNRKAOJJOJ-RBUKOAKNSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034043557 709294954 /nfs/dbraw/zinc/29/49/54/709294954.db2.gz WJPXJNRKAOJJOJ-RBUKOAKNSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034043557 709294956 /nfs/dbraw/zinc/29/49/56/709294956.db2.gz WJPXJNRKAOJJOJ-RBUKOAKNSA-N 2 1 340.471 1.933 20 30 EDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001034365051 709885822 /nfs/dbraw/zinc/88/58/22/709885822.db2.gz OFEYLKAYOMJIAT-DLBZAZTESA-N 2 1 328.460 1.748 20 30 EDEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365051 709885826 /nfs/dbraw/zinc/88/58/26/709885826.db2.gz OFEYLKAYOMJIAT-DLBZAZTESA-N 2 1 328.460 1.748 20 30 EDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001034365053 709886031 /nfs/dbraw/zinc/88/60/31/709886031.db2.gz OFEYLKAYOMJIAT-IRXDYDNUSA-N 2 1 328.460 1.748 20 30 EDEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365053 709886034 /nfs/dbraw/zinc/88/60/34/709886034.db2.gz OFEYLKAYOMJIAT-IRXDYDNUSA-N 2 1 328.460 1.748 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC001034664730 710334240 /nfs/dbraw/zinc/33/42/40/710334240.db2.gz NYVVTDLCLQCQSZ-LNLFQRSKSA-N 2 1 340.471 1.696 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC001034664730 710334242 /nfs/dbraw/zinc/33/42/42/710334242.db2.gz NYVVTDLCLQCQSZ-LNLFQRSKSA-N 2 1 340.471 1.696 20 30 EDEDMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003635265 710462558 /nfs/dbraw/zinc/46/25/58/710462558.db2.gz NRXXIZCSLRSWTB-SUMWQHHRSA-N 2 1 346.500 1.898 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003635265 710462559 /nfs/dbraw/zinc/46/25/59/710462559.db2.gz NRXXIZCSLRSWTB-SUMWQHHRSA-N 2 1 346.500 1.898 20 30 EDEDMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003636930 710466927 /nfs/dbraw/zinc/46/69/27/710466927.db2.gz YSWJEDGJQNCCPN-FXAWDEMLSA-N 2 1 339.483 1.816 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003636930 710466928 /nfs/dbraw/zinc/46/69/28/710466928.db2.gz YSWJEDGJQNCCPN-FXAWDEMLSA-N 2 1 339.483 1.816 20 30 EDEDMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC001032968654 711043753 /nfs/dbraw/zinc/04/37/53/711043753.db2.gz SFTPBANEXCQSQD-RTBURBONSA-N 2 1 343.446 1.804 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001034882367 711283232 /nfs/dbraw/zinc/28/32/32/711283232.db2.gz VZRHVLLPUXMTMP-QZTJIDSGSA-N 2 1 326.444 1.733 20 30 EDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001004616690 712076701 /nfs/dbraw/zinc/07/67/01/712076701.db2.gz NCFIGZLZCJPBIB-MJGOQNOKSA-N 2 1 349.519 1.844 20 30 EDEDMP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(C#N)cc1 ZINC000046529494 138116982 /nfs/dbraw/zinc/11/69/82/138116982.db2.gz WEGVAUNQXNJHRW-UHFFFAOYSA-N 2 1 326.444 1.733 20 30 EDEDMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(C#N)cc1 ZINC000046529494 138116984 /nfs/dbraw/zinc/11/69/84/138116984.db2.gz WEGVAUNQXNJHRW-UHFFFAOYSA-N 2 1 326.444 1.733 20 30 EDEDMP N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000424133900 252136088 /nfs/dbraw/zinc/13/60/88/252136088.db2.gz JXRPQEUHRNXNRR-KRWDZBQOSA-N 2 1 330.432 1.156 20 30 EDEDMP C#CCN1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000490947914 255111732 /nfs/dbraw/zinc/11/17/32/255111732.db2.gz BHVJFOZFWMAQHK-ZWKOTPCHSA-N 2 1 346.519 1.006 20 30 EDEDMP C#CCN1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000490947914 255111734 /nfs/dbraw/zinc/11/17/34/255111734.db2.gz BHVJFOZFWMAQHK-ZWKOTPCHSA-N 2 1 346.519 1.006 20 30 EDEDMP C#C[C@@H](C)[N@H+](C)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000491682353 255140478 /nfs/dbraw/zinc/14/04/78/255140478.db2.gz RQOFEIIBXFRMGH-MRXNPFEDSA-N 2 1 341.455 1.219 20 30 EDEDMP C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000491682353 255140480 /nfs/dbraw/zinc/14/04/80/255140480.db2.gz RQOFEIIBXFRMGH-MRXNPFEDSA-N 2 1 341.455 1.219 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000491691731 255141804 /nfs/dbraw/zinc/14/18/04/255141804.db2.gz HDIBBUWPKLDEJH-HOTGVXAUSA-N 2 1 338.496 1.129 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000491691731 255141805 /nfs/dbraw/zinc/14/18/05/255141805.db2.gz HDIBBUWPKLDEJH-HOTGVXAUSA-N 2 1 338.496 1.129 20 30 EDEDMP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414686959 447317248 /nfs/dbraw/zinc/31/72/48/447317248.db2.gz GQONKUJMCPRWDQ-INIZCTEOSA-N 2 1 346.431 1.780 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000073228550 441303403 /nfs/dbraw/zinc/30/34/03/441303403.db2.gz VDEXWVZWQNSESG-UHFFFAOYSA-N 2 1 340.471 1.774 20 30 EDEDMP C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000158483917 441739216 /nfs/dbraw/zinc/73/92/16/441739216.db2.gz XSJNVANNQZHGAW-ZBFHGGJFSA-N 2 1 332.496 1.541 20 30 EDEDMP C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262005235 443179003 /nfs/dbraw/zinc/17/90/03/443179003.db2.gz VLKKWEFKLPZRCH-MOXGXCLJSA-N 2 1 344.503 1.714 20 30 EDEDMP C=CCNC(=[NH2+])NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000264269630 443257065 /nfs/dbraw/zinc/25/70/65/443257065.db2.gz LJLVBKGXCCXCNT-UHFFFAOYSA-N 2 1 346.475 1.767 20 30 EDEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000274847468 443612826 /nfs/dbraw/zinc/61/28/26/443612826.db2.gz OCAJLCYVXDRFTN-ROUUACIJSA-N 2 1 337.508 1.914 20 30 EDEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000274847468 443612828 /nfs/dbraw/zinc/61/28/28/443612828.db2.gz OCAJLCYVXDRFTN-ROUUACIJSA-N 2 1 337.508 1.914 20 30 EDEDMP CC#CCN(C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000293357108 443993391 /nfs/dbraw/zinc/99/33/91/443993391.db2.gz ZQISNJSTWZRZID-UHFFFAOYSA-N 2 1 327.472 1.984 20 30 EDEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000299545531 444076343 /nfs/dbraw/zinc/07/63/43/444076343.db2.gz PSMCNLYXWLCDHD-GOSISDBHSA-N 2 1 326.444 1.687 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000299545531 444076345 /nfs/dbraw/zinc/07/63/45/444076345.db2.gz PSMCNLYXWLCDHD-GOSISDBHSA-N 2 1 326.444 1.687 20 30 EDEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000299545531 444076351 /nfs/dbraw/zinc/07/63/51/444076351.db2.gz PSMCNLYXWLCDHD-GOSISDBHSA-N 2 1 326.444 1.687 20 30 EDEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000299545531 444076354 /nfs/dbraw/zinc/07/63/54/444076354.db2.gz PSMCNLYXWLCDHD-GOSISDBHSA-N 2 1 326.444 1.687 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC(=O)Nc2ccccc21 ZINC000304807940 444253632 /nfs/dbraw/zinc/25/36/32/444253632.db2.gz UEWRBOJYYAVKGR-ZIAGYGMSSA-N 2 1 329.448 1.501 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N1CCc2sccc2C1 ZINC000303971450 444238159 /nfs/dbraw/zinc/23/81/59/444238159.db2.gz DTDBEHZBZTYRBG-CQSZACIVSA-N 2 1 349.504 1.021 20 30 EDEDMP C(#CC[N@H+]1CCC[C@@H]2COCC[C@@H]21)C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000341893412 445057485 /nfs/dbraw/zinc/05/74/85/445057485.db2.gz HURKQNCWBBVRIT-ZRNYENFQSA-N 2 1 332.488 1.992 20 30 EDEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367309820 446535379 /nfs/dbraw/zinc/53/53/79/446535379.db2.gz KYGHXLPUWHLENS-HZPDHXFCSA-N 2 1 332.492 1.943 20 30 EDEDMP CN(C)c1[nH+]cc(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1C ZINC000425387385 447136700 /nfs/dbraw/zinc/13/67/00/447136700.db2.gz URSUGFOKJYVRGG-UHFFFAOYSA-N 2 1 340.475 1.922 20 30 EDEDMP N#Cc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1F ZINC000421386050 447146016 /nfs/dbraw/zinc/14/60/16/447146016.db2.gz RDVYYPOUANJSEF-UHFFFAOYSA-N 2 1 332.423 1.779 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419457458 447191535 /nfs/dbraw/zinc/19/15/35/447191535.db2.gz WLJQURRXYAVOPC-HOTGVXAUSA-N 2 1 338.496 1.123 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000491475095 448037142 /nfs/dbraw/zinc/03/71/42/448037142.db2.gz SQDRLFZNMAOQLF-UHFFFAOYSA-N 2 1 336.505 1.776 20 30 EDEDMP C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000577846537 448400427 /nfs/dbraw/zinc/40/04/27/448400427.db2.gz ICFBRUUPUXGOPG-RYQLBKOJSA-N 2 1 344.459 1.413 20 30 EDEDMP C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000577846537 448400433 /nfs/dbraw/zinc/40/04/33/448400433.db2.gz ICFBRUUPUXGOPG-RYQLBKOJSA-N 2 1 344.459 1.413 20 30 EDEDMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)Nc1ccccc1C#N)CCO2 ZINC000592184253 448726475 /nfs/dbraw/zinc/72/64/75/448726475.db2.gz HPVRHCVMUDQPRE-UHFFFAOYSA-N 2 1 342.443 1.683 20 30 EDEDMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000599939211 449117835 /nfs/dbraw/zinc/11/78/35/449117835.db2.gz WPMGCXJVWPOKFS-MAUKXSAKSA-N 2 1 341.459 1.526 20 30 EDEDMP Cc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ncc1C#N ZINC000590903834 449338486 /nfs/dbraw/zinc/33/84/86/449338486.db2.gz IUSUOVLTRBFJQL-UHFFFAOYSA-N 2 1 336.399 1.661 20 30 EDEDMP C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1([NH+]2CCOCC2)CCCC1 ZINC000594439104 449518029 /nfs/dbraw/zinc/51/80/29/449518029.db2.gz NZHCDGKSBZZGLT-CVEARBPZSA-N 2 1 336.480 1.547 20 30 EDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000602545848 449665315 /nfs/dbraw/zinc/66/53/15/449665315.db2.gz QLCUCMPWWHADDV-QGZVFWFLSA-N 2 1 336.524 1.949 20 30 EDEDMP CN(C(=O)c1ccc(C#N)cn1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609559782 450051319 /nfs/dbraw/zinc/05/13/19/450051319.db2.gz OGFAUXMNQRMIIP-INIZCTEOSA-N 2 1 327.432 1.194 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638099447 451265235 /nfs/dbraw/zinc/26/52/35/451265235.db2.gz INJWUJLBVYUOTC-SFHVURJKSA-N 2 1 330.476 1.212 20 30 EDEDMP C=C(C)CN(CC)C(=O)[C@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640924535 451692648 /nfs/dbraw/zinc/69/26/48/451692648.db2.gz WBQDFENWUUAWOG-HNNXBMFYSA-N 2 1 348.495 1.229 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(-n2cccn2)c1 ZINC000104164106 529073163 /nfs/dbraw/zinc/07/31/63/529073163.db2.gz GZXCPBBLLMLGBD-OAHLLOKOSA-N 2 1 327.436 1.156 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2c(c1)CCCN2C ZINC000104181977 529073654 /nfs/dbraw/zinc/07/36/54/529073654.db2.gz GTDQPIRNQDURTC-QGZVFWFLSA-N 2 1 329.492 1.958 20 30 EDEDMP C=C(C)CN(CC)C(=O)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000779655716 580493541 /nfs/dbraw/zinc/49/35/41/580493541.db2.gz VFZVGEXOBIMHDU-CQSZACIVSA-N 2 1 326.441 1.019 20 30 EDEDMP C=C(C)CN(CC)C(=O)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000779655716 580493542 /nfs/dbraw/zinc/49/35/42/580493542.db2.gz VFZVGEXOBIMHDU-CQSZACIVSA-N 2 1 326.441 1.019 20 30 EDEDMP CCOCCC[N@@H+]1CCC(=NNCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000799491563 581029525 /nfs/dbraw/zinc/02/95/25/581029525.db2.gz JBBVUYGTHKOTJE-QGZVFWFLSA-N 2 1 340.512 1.423 20 30 EDEDMP CCOCCC[N@H+]1CCC(=NNCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000799491563 581029526 /nfs/dbraw/zinc/02/95/26/581029526.db2.gz JBBVUYGTHKOTJE-QGZVFWFLSA-N 2 1 340.512 1.423 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1 ZINC000900596076 592063925 /nfs/dbraw/zinc/06/39/25/592063925.db2.gz AMKKGCSMNIZNSA-UHFFFAOYSA-N 2 1 333.480 1.445 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1 ZINC000900596076 592063929 /nfs/dbraw/zinc/06/39/29/592063929.db2.gz AMKKGCSMNIZNSA-UHFFFAOYSA-N 2 1 333.480 1.445 20 30 EDEDMP C#C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000820086708 593789871 /nfs/dbraw/zinc/78/98/71/593789871.db2.gz JVKHYPGRSVIHBC-WMZOPIPTSA-N 2 1 330.476 1.932 20 30 EDEDMP C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000820086708 593789872 /nfs/dbraw/zinc/78/98/72/593789872.db2.gz JVKHYPGRSVIHBC-WMZOPIPTSA-N 2 1 330.476 1.932 20 30 EDEDMP C#C[C@H](CCC)NC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000820665840 593857666 /nfs/dbraw/zinc/85/76/66/593857666.db2.gz CNERQHIHHFKCNB-QGZVFWFLSA-N 2 1 334.508 1.990 20 30 EDEDMP C#C[C@H](CCC)NC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000820665840 593857669 /nfs/dbraw/zinc/85/76/69/593857669.db2.gz CNERQHIHHFKCNB-QGZVFWFLSA-N 2 1 334.508 1.990 20 30 EDEDMP C#CCC[C@@H](O)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000848035354 595308498 /nfs/dbraw/zinc/30/84/98/595308498.db2.gz SNHIUMMKBFELOE-GOSISDBHSA-N 2 1 335.492 1.073 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000845220917 595463603 /nfs/dbraw/zinc/46/36/03/595463603.db2.gz PGEBTMOZLHNDCR-FQEVSTJZSA-N 2 1 342.487 1.905 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000845220917 595463606 /nfs/dbraw/zinc/46/36/06/595463606.db2.gz PGEBTMOZLHNDCR-FQEVSTJZSA-N 2 1 342.487 1.905 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000845220917 595463608 /nfs/dbraw/zinc/46/36/08/595463608.db2.gz PGEBTMOZLHNDCR-FQEVSTJZSA-N 2 1 342.487 1.905 20 30 EDEDMP C=C(Br)CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000853502777 595771872 /nfs/dbraw/zinc/77/18/72/595771872.db2.gz JLOPAGSLNFHOJP-LBPRGKRZSA-N 2 1 335.290 1.466 20 30 EDEDMP C=C(Br)CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000853502777 595771875 /nfs/dbraw/zinc/77/18/75/595771875.db2.gz JLOPAGSLNFHOJP-LBPRGKRZSA-N 2 1 335.290 1.466 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000855733973 595811548 /nfs/dbraw/zinc/81/15/48/595811548.db2.gz CFTHLAAHPAEMTI-UXHICEINSA-N 2 1 339.483 1.859 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000855733973 595811549 /nfs/dbraw/zinc/81/15/49/595811549.db2.gz CFTHLAAHPAEMTI-UXHICEINSA-N 2 1 339.483 1.859 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCc2ccccc2)C1 ZINC000855733973 595811551 /nfs/dbraw/zinc/81/15/51/595811551.db2.gz CFTHLAAHPAEMTI-UXHICEINSA-N 2 1 339.483 1.859 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCc2ccccc2)C1 ZINC000855733973 595811553 /nfs/dbraw/zinc/81/15/53/595811553.db2.gz CFTHLAAHPAEMTI-UXHICEINSA-N 2 1 339.483 1.859 20 30 EDEDMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)N(CCC#N)CCC#N)cc1 ZINC000859212810 596005409 /nfs/dbraw/zinc/00/54/09/596005409.db2.gz ASEMBWSJMCYJLK-UHFFFAOYSA-N 2 1 341.459 1.836 20 30 EDEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)N(CCC#N)CCC#N)cc1 ZINC000859212810 596005410 /nfs/dbraw/zinc/00/54/10/596005410.db2.gz ASEMBWSJMCYJLK-UHFFFAOYSA-N 2 1 341.459 1.836 20 30 EDEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCO[C@H](C)C#N)C2)ccn1 ZINC000856584491 596020373 /nfs/dbraw/zinc/02/03/73/596020373.db2.gz KYWMKXZLUCWXCC-CRAIPNDOSA-N 2 1 332.448 1.915 20 30 EDEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCO[C@H](C)C#N)C2)ccn1 ZINC000856584491 596020378 /nfs/dbraw/zinc/02/03/78/596020378.db2.gz KYWMKXZLUCWXCC-CRAIPNDOSA-N 2 1 332.448 1.915 20 30 EDEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCO[C@H](C)C#N)C2)ccn1 ZINC000856584491 596020380 /nfs/dbraw/zinc/02/03/80/596020380.db2.gz KYWMKXZLUCWXCC-CRAIPNDOSA-N 2 1 332.448 1.915 20 30 EDEDMP CN(C)c1ccc(C#N)cc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000865457680 596580987 /nfs/dbraw/zinc/58/09/87/596580987.db2.gz NVKFMAVMGAUQMN-GOSISDBHSA-N 2 1 330.476 1.951 20 30 EDEDMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876959556 597397163 /nfs/dbraw/zinc/39/71/63/597397163.db2.gz UAXNWDAFAVNURW-DOTOQJQBSA-N 2 1 326.444 1.734 20 30 EDEDMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876959556 597397168 /nfs/dbraw/zinc/39/71/68/597397168.db2.gz UAXNWDAFAVNURW-DOTOQJQBSA-N 2 1 326.444 1.734 20 30 EDEDMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000877229144 597468935 /nfs/dbraw/zinc/46/89/35/597468935.db2.gz HXYFSALCSSHMHP-ZWKOTPCHSA-N 2 1 344.459 1.333 20 30 EDEDMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000877229144 597468938 /nfs/dbraw/zinc/46/89/38/597468938.db2.gz HXYFSALCSSHMHP-ZWKOTPCHSA-N 2 1 344.459 1.333 20 30 EDEDMP C[C@@H]1C[N@H+](CCCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H](C)O1 ZINC000884196089 598023798 /nfs/dbraw/zinc/02/37/98/598023798.db2.gz HMOMKNBOHVERNW-XAZSACEBSA-N 2 1 348.491 1.131 20 30 EDEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@@H+](C)Cc1ccccc1 ZINC000884219908 598033004 /nfs/dbraw/zinc/03/30/04/598033004.db2.gz AQEPHSREUQTBFX-SNXQWQLTSA-N 2 1 340.471 1.762 20 30 EDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993980966 696480407 /nfs/dbraw/zinc/48/04/07/696480407.db2.gz CJDQAMJGKSPWFH-FUHWJXTLSA-N 2 1 347.507 1.994 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC000940158241 700290546 /nfs/dbraw/zinc/29/05/46/700290546.db2.gz WISJZRYKDHQNAI-MSOLQXFVSA-N 2 1 347.503 1.481 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC000940158241 700290549 /nfs/dbraw/zinc/29/05/49/700290549.db2.gz WISJZRYKDHQNAI-MSOLQXFVSA-N 2 1 347.503 1.481 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cn1ccnc1 ZINC000945806324 701196178 /nfs/dbraw/zinc/19/61/78/701196178.db2.gz CORARGJWUYJLJW-QAPCUYQASA-N 2 1 337.427 1.782 20 30 EDEDMP C[C@@H]1CN(Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cn1ccnc1 ZINC000945806324 701196180 /nfs/dbraw/zinc/19/61/80/701196180.db2.gz CORARGJWUYJLJW-QAPCUYQASA-N 2 1 337.427 1.782 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H](C)COC)CC2(C)C)CC1 ZINC000941236850 701427602 /nfs/dbraw/zinc/42/76/02/701427602.db2.gz BOHMDDJJEBCQIA-WMZOPIPTSA-N 2 1 349.519 1.583 20 30 EDEDMP C=C(C)CN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996800352 703086517 /nfs/dbraw/zinc/08/65/17/703086517.db2.gz AXTKQHOGBWMSJO-VIQWUECVSA-N 2 1 348.535 1.559 20 30 EDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997227928 703503946 /nfs/dbraw/zinc/50/39/46/703503946.db2.gz BHXVFVJEPPVVCO-XDAPHXNSSA-N 2 1 347.503 1.642 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000998719636 706152138 /nfs/dbraw/zinc/15/21/38/706152138.db2.gz HDELFZAKPXHOGK-SJLPKXTDSA-N 2 1 344.434 1.872 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999390639 706903626 /nfs/dbraw/zinc/90/36/26/706903626.db2.gz GHMSKHXZMUBSOS-CVEARBPZSA-N 2 1 339.430 1.710 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999390639 706903628 /nfs/dbraw/zinc/90/36/28/706903628.db2.gz GHMSKHXZMUBSOS-CVEARBPZSA-N 2 1 339.430 1.710 20 30 EDEDMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001033421498 707835122 /nfs/dbraw/zinc/83/51/22/707835122.db2.gz YPYSGXNRMXMGBZ-LPHOPBHVSA-N 2 1 340.471 1.933 20 30 EDEDMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001033421498 707835125 /nfs/dbraw/zinc/83/51/25/707835125.db2.gz YPYSGXNRMXMGBZ-LPHOPBHVSA-N 2 1 340.471 1.933 20 30 EDEDMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001033421498 707835127 /nfs/dbraw/zinc/83/51/27/707835127.db2.gz YPYSGXNRMXMGBZ-LPHOPBHVSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033580325 708260276 /nfs/dbraw/zinc/26/02/76/708260276.db2.gz CUMAQPNOGOKCCC-VQTJNVASSA-N 2 1 339.483 1.913 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033580325 708260280 /nfs/dbraw/zinc/26/02/80/708260280.db2.gz CUMAQPNOGOKCCC-VQTJNVASSA-N 2 1 339.483 1.913 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033580325 708260283 /nfs/dbraw/zinc/26/02/83/708260283.db2.gz CUMAQPNOGOKCCC-VQTJNVASSA-N 2 1 339.483 1.913 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033580325 708260284 /nfs/dbraw/zinc/26/02/84/708260284.db2.gz CUMAQPNOGOKCCC-VQTJNVASSA-N 2 1 339.483 1.913 20 30 EDEDMP CC#CC[NH+]1CCC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001001837395 708342795 /nfs/dbraw/zinc/34/27/95/708342795.db2.gz YADWZZSTJJYQSH-UHFFFAOYSA-N 2 1 344.459 1.736 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033666779 708452328 /nfs/dbraw/zinc/45/23/28/708452328.db2.gz ZJVSCZQLHWULGF-HKUYNNGSSA-N 2 1 343.446 1.662 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033666779 708452331 /nfs/dbraw/zinc/45/23/31/708452331.db2.gz ZJVSCZQLHWULGF-HKUYNNGSSA-N 2 1 343.446 1.662 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001033666779 708452334 /nfs/dbraw/zinc/45/23/34/708452334.db2.gz ZJVSCZQLHWULGF-HKUYNNGSSA-N 2 1 343.446 1.662 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001033666779 708452337 /nfs/dbraw/zinc/45/23/37/708452337.db2.gz ZJVSCZQLHWULGF-HKUYNNGSSA-N 2 1 343.446 1.662 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033983515 709192719 /nfs/dbraw/zinc/19/27/19/709192719.db2.gz SKHQWJFCBXFVNU-KRWDZBQOSA-N 2 1 333.480 1.557 20 30 EDEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001034042082 709291639 /nfs/dbraw/zinc/29/16/39/709291639.db2.gz LEWVEEJSIJNBON-PMACEKPBSA-N 2 1 339.483 1.913 20 30 EDEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001034042082 709291642 /nfs/dbraw/zinc/29/16/42/709291642.db2.gz LEWVEEJSIJNBON-PMACEKPBSA-N 2 1 339.483 1.913 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001034042082 709291644 /nfs/dbraw/zinc/29/16/44/709291644.db2.gz LEWVEEJSIJNBON-PMACEKPBSA-N 2 1 339.483 1.913 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001034042082 709291646 /nfs/dbraw/zinc/29/16/46/709291646.db2.gz LEWVEEJSIJNBON-PMACEKPBSA-N 2 1 339.483 1.913 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ocnc2C)CC1 ZINC001034663677 710332853 /nfs/dbraw/zinc/33/28/53/710332853.db2.gz HFOCKNXHOLSGGG-ULQDDVLXSA-N 2 1 344.459 1.598 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ocnc2C)CC1 ZINC001034663677 710332856 /nfs/dbraw/zinc/33/28/56/710332856.db2.gz HFOCKNXHOLSGGG-ULQDDVLXSA-N 2 1 344.459 1.598 20 30 EDEDMP [NH2+]=C(NCCCn1cnc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000264073784 249330679 /nfs/dbraw/zinc/33/06/79/249330679.db2.gz GQLIDLQSBRPQSM-UHFFFAOYSA-N 2 1 344.463 1.053 20 30 EDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCCCn2cc[nH+]c2C)CC1 ZINC000264100219 249335549 /nfs/dbraw/zinc/33/55/49/249335549.db2.gz NWYZAXUIPRWICW-UHFFFAOYSA-N 2 1 336.440 1.107 20 30 EDEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC[C@H]21 ZINC000247943277 139156006 /nfs/dbraw/zinc/15/60/06/139156006.db2.gz GQFDSBDPFBMMKR-ZHALLVOQSA-N 2 1 329.444 1.714 20 30 EDEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC[C@H]21 ZINC000247943277 139156007 /nfs/dbraw/zinc/15/60/07/139156007.db2.gz GQFDSBDPFBMMKR-ZHALLVOQSA-N 2 1 329.444 1.714 20 30 EDEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC[C@H]21 ZINC000247943277 139156008 /nfs/dbraw/zinc/15/60/08/139156008.db2.gz GQFDSBDPFBMMKR-ZHALLVOQSA-N 2 1 329.444 1.714 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000374314070 250259314 /nfs/dbraw/zinc/25/93/14/250259314.db2.gz VXPNWARKLFPEET-RBUKOAKNSA-N 2 1 325.456 1.546 20 30 EDEDMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)C[C@H](C)O1 ZINC000424151065 252145672 /nfs/dbraw/zinc/14/56/72/252145672.db2.gz GZWPGNVJSJKBBR-HLLBOEOZSA-N 2 1 336.480 1.355 20 30 EDEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2ccc(C#N)o2)cc[nH+]1 ZINC000354926319 150035112 /nfs/dbraw/zinc/03/51/12/150035112.db2.gz QPODFDOXKKBGDS-STQMWFEESA-N 2 1 344.394 1.714 20 30 EDEDMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000357625120 151089765 /nfs/dbraw/zinc/08/97/65/151089765.db2.gz HELPSOGZZDULCI-OAHLLOKOSA-N 2 1 344.459 1.664 20 30 EDEDMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000357625120 151089766 /nfs/dbraw/zinc/08/97/66/151089766.db2.gz HELPSOGZZDULCI-OAHLLOKOSA-N 2 1 344.459 1.664 20 30 EDEDMP C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367681521 154227931 /nfs/dbraw/zinc/22/79/31/154227931.db2.gz COGWFNVFOYBQQG-KRWDZBQOSA-N 2 1 337.427 1.565 20 30 EDEDMP C[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367681521 154227934 /nfs/dbraw/zinc/22/79/34/154227934.db2.gz COGWFNVFOYBQQG-KRWDZBQOSA-N 2 1 337.427 1.565 20 30 EDEDMP COc1cc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)ccc1C ZINC000081531789 441284402 /nfs/dbraw/zinc/28/44/02/441284402.db2.gz GRFOXMZLZNAFBN-UHFFFAOYSA-N 2 1 334.464 1.173 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1-n1ccnc1 ZINC000170912446 442287397 /nfs/dbraw/zinc/28/73/97/442287397.db2.gz RBPNWIYRMGOZEJ-OAHLLOKOSA-N 2 1 327.436 1.156 20 30 EDEDMP CC(C)(O)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000187044803 442649380 /nfs/dbraw/zinc/64/93/80/442649380.db2.gz NIQBHYXIMMJSDT-UHFFFAOYSA-N 2 1 334.464 1.041 20 30 EDEDMP CCOCCCNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190537148 443130746 /nfs/dbraw/zinc/13/07/46/443130746.db2.gz IUWRKWSVSKXHOB-SFHVURJKSA-N 2 1 348.491 1.608 20 30 EDEDMP C[NH+]=C(NCC(=O)Nc1ccccc1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261824645 443170983 /nfs/dbraw/zinc/17/09/83/443170983.db2.gz UXEWPFFMFGWTNR-CZUORRHYSA-N 2 1 329.448 1.273 20 30 EDEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261945859 443175240 /nfs/dbraw/zinc/17/52/40/443175240.db2.gz FVERGKNIQKJAIZ-DOTOQJQBSA-N 2 1 343.475 1.594 20 30 EDEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262486687 443197801 /nfs/dbraw/zinc/19/78/01/443197801.db2.gz IQAISESQUGSENN-DOTOQJQBSA-N 2 1 346.475 1.771 20 30 EDEDMP C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749928 443250986 /nfs/dbraw/zinc/25/09/86/443250986.db2.gz VRIDJOWKFGZXNV-SJORKVTESA-N 2 1 345.491 1.885 20 30 EDEDMP C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749928 443250991 /nfs/dbraw/zinc/25/09/91/443250991.db2.gz VRIDJOWKFGZXNV-SJORKVTESA-N 2 1 345.491 1.885 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1-n1cccn1 ZINC000264132698 443251747 /nfs/dbraw/zinc/25/17/47/443251747.db2.gz YHNYFPSJJLVGCV-INIZCTEOSA-N 2 1 326.448 1.761 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccc(F)cc1F ZINC000267473282 443469380 /nfs/dbraw/zinc/46/93/80/443469380.db2.gz YOXNMHSTSWAPCV-SUMWQHHRSA-N 2 1 340.418 1.561 20 30 EDEDMP COc1ccc(NC(=[NH2+])NCCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000281768484 444000950 /nfs/dbraw/zinc/00/09/50/444000950.db2.gz LYZMNIZTUHXAHC-UHFFFAOYSA-N 2 1 349.479 1.456 20 30 EDEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000304761866 444252961 /nfs/dbraw/zinc/25/29/61/444252961.db2.gz VANIKMKJNZTNCU-CQSZACIVSA-N 2 1 339.484 1.196 20 30 EDEDMP N#Cc1ccc([C@H](O)CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000305719566 444275242 /nfs/dbraw/zinc/27/52/42/444275242.db2.gz JBBHAFWSJDKISH-ZWKOTPCHSA-N 2 1 342.443 1.006 20 30 EDEDMP N#Cc1ccc([C@H](O)C[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000305719566 444275245 /nfs/dbraw/zinc/27/52/45/444275245.db2.gz JBBHAFWSJDKISH-ZWKOTPCHSA-N 2 1 342.443 1.006 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000297479909 444291628 /nfs/dbraw/zinc/29/16/28/444291628.db2.gz ORIYURSTQGZWJI-UHFFFAOYSA-N 2 1 328.460 1.299 20 30 EDEDMP CN1CCN(C)[C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000330139311 444858771 /nfs/dbraw/zinc/85/87/71/444858771.db2.gz WEKXXDHKFWLOET-KRWDZBQOSA-N 2 1 337.512 1.143 20 30 EDEDMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)C1 ZINC000330353840 444949236 /nfs/dbraw/zinc/94/92/36/444949236.db2.gz OXMNIDCLKBOIEB-BFYDXBDKSA-N 2 1 349.479 1.876 20 30 EDEDMP C=CCN1CC[C@@H]([NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000337141270 444959989 /nfs/dbraw/zinc/95/99/89/444959989.db2.gz RYDBHIUAYFQMOO-SOLBZPMBSA-N 2 1 335.492 1.595 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000349903255 445717069 /nfs/dbraw/zinc/71/70/69/445717069.db2.gz LXIIAXNGHQQPJC-QGZVFWFLSA-N 2 1 338.496 1.437 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000369657189 446139461 /nfs/dbraw/zinc/13/94/61/446139461.db2.gz NAGUKZGNTJCGKR-JQHSSLGASA-N 2 1 332.492 1.763 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000487238959 447828504 /nfs/dbraw/zinc/82/85/04/447828504.db2.gz IECQLRSFTREJBP-FUHWJXTLSA-N 2 1 340.471 1.859 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000491350931 448002117 /nfs/dbraw/zinc/00/21/17/448002117.db2.gz QUZGODHCOJHXJV-LJQANCHMSA-N 2 1 342.487 1.046 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000491350931 448002120 /nfs/dbraw/zinc/00/21/20/448002120.db2.gz QUZGODHCOJHXJV-LJQANCHMSA-N 2 1 342.487 1.046 20 30 EDEDMP CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000566168883 448401396 /nfs/dbraw/zinc/40/13/96/448401396.db2.gz VYZNXMCYFRHSPN-KRWDZBQOSA-N 2 1 329.448 1.394 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000592753600 448970617 /nfs/dbraw/zinc/97/06/17/448970617.db2.gz YOEKBDUWIAPSLK-CRAIPNDOSA-N 2 1 328.460 1.789 20 30 EDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000594439449 449518105 /nfs/dbraw/zinc/51/81/05/449518105.db2.gz QOUKJXMCDWMKJC-GOSISDBHSA-N 2 1 343.475 1.336 20 30 EDEDMP N#CCCCC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000594441576 449519660 /nfs/dbraw/zinc/51/96/60/449519660.db2.gz SUYFVQPXPGKRGF-SFHVURJKSA-N 2 1 328.460 1.962 20 30 EDEDMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(c3ccc(C#N)cn3)CC2)CC1 ZINC000602908809 449913202 /nfs/dbraw/zinc/91/32/02/449913202.db2.gz UHZHVSICDDBYJR-UHFFFAOYSA-N 2 1 341.459 1.297 20 30 EDEDMP C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000610162867 450149931 /nfs/dbraw/zinc/14/99/31/450149931.db2.gz JOFXZASRGOUHOB-ROUUACIJSA-N 2 1 331.460 1.766 20 30 EDEDMP C[NH+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000610162867 450149937 /nfs/dbraw/zinc/14/99/37/450149937.db2.gz JOFXZASRGOUHOB-ROUUACIJSA-N 2 1 331.460 1.766 20 30 EDEDMP C[NH+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000610162867 450149943 /nfs/dbraw/zinc/14/99/43/450149943.db2.gz JOFXZASRGOUHOB-ROUUACIJSA-N 2 1 331.460 1.766 20 30 EDEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000584524788 485869753 /nfs/dbraw/zinc/86/97/53/485869753.db2.gz JEEBMDWXEOPMPC-YJBOKZPZSA-N 2 1 342.443 1.923 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)CC1 ZINC000780385599 580520873 /nfs/dbraw/zinc/52/08/73/580520873.db2.gz SDCLJMNMOJDGHH-KBPBESRZSA-N 2 1 331.382 1.427 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)CC1 ZINC000780385599 580520874 /nfs/dbraw/zinc/52/08/74/580520874.db2.gz SDCLJMNMOJDGHH-KBPBESRZSA-N 2 1 331.382 1.427 20 30 EDEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCCO1 ZINC000912498845 593100765 /nfs/dbraw/zinc/10/07/65/593100765.db2.gz KFEFUNHLQKHVQP-HNNXBMFYSA-N 2 1 326.485 1.221 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000839854370 593201249 /nfs/dbraw/zinc/20/12/49/593201249.db2.gz PUAVUXXAFBUYOG-MJGOQNOKSA-N 2 1 325.456 1.817 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000839854370 593201250 /nfs/dbraw/zinc/20/12/50/593201250.db2.gz PUAVUXXAFBUYOG-MJGOQNOKSA-N 2 1 325.456 1.817 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000839854370 593201251 /nfs/dbraw/zinc/20/12/51/593201251.db2.gz PUAVUXXAFBUYOG-MJGOQNOKSA-N 2 1 325.456 1.817 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000839854370 593201252 /nfs/dbraw/zinc/20/12/52/593201252.db2.gz PUAVUXXAFBUYOG-MJGOQNOKSA-N 2 1 325.456 1.817 20 30 EDEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819282865 593748322 /nfs/dbraw/zinc/74/83/22/593748322.db2.gz CJJZTFWHXUQICV-VQTJNVASSA-N 2 1 344.503 1.695 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000852858619 595579987 /nfs/dbraw/zinc/57/99/87/595579987.db2.gz FIEDMYOYUDROEI-UHFFFAOYSA-N 2 1 325.456 1.554 20 30 EDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000884241694 598040623 /nfs/dbraw/zinc/04/06/23/598040623.db2.gz XXAWHYBLRSZSSH-IPMKNSEASA-N 2 1 340.471 1.829 20 30 EDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000884241694 598040627 /nfs/dbraw/zinc/04/06/27/598040627.db2.gz XXAWHYBLRSZSSH-IPMKNSEASA-N 2 1 340.471 1.829 20 30 EDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000884241694 598040630 /nfs/dbraw/zinc/04/06/30/598040630.db2.gz XXAWHYBLRSZSSH-IPMKNSEASA-N 2 1 340.471 1.829 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000884241694 598040634 /nfs/dbraw/zinc/04/06/34/598040634.db2.gz XXAWHYBLRSZSSH-IPMKNSEASA-N 2 1 340.471 1.829 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000941596264 701587737 /nfs/dbraw/zinc/58/77/37/701587737.db2.gz ZEVCUARMPSHSKX-KRWDZBQOSA-N 2 1 334.508 1.265 20 30 EDEDMP C=CCN1CC(N2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC2)C1 ZINC000941468107 701549111 /nfs/dbraw/zinc/54/91/11/701549111.db2.gz MVGSCGUPBFCUNE-UHFFFAOYSA-N 2 1 348.535 1.654 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC2)C1 ZINC000941468107 701549112 /nfs/dbraw/zinc/54/91/12/701549112.db2.gz MVGSCGUPBFCUNE-UHFFFAOYSA-N 2 1 348.535 1.654 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC2)C1 ZINC000941468107 701549113 /nfs/dbraw/zinc/54/91/13/701549113.db2.gz MVGSCGUPBFCUNE-UHFFFAOYSA-N 2 1 348.535 1.654 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC000999189897 706631994 /nfs/dbraw/zinc/63/19/94/706631994.db2.gz ODIPYDIXZBYUOB-AYOQOUSVSA-N 2 1 340.471 1.979 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058073 702508271 /nfs/dbraw/zinc/50/82/71/702508271.db2.gz SPTPZEKBQPVQAV-DLBZAZTESA-N 2 1 347.507 1.851 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032453648 703630882 /nfs/dbraw/zinc/63/08/82/703630882.db2.gz ILBFCUITXLWKHG-FHWLQOOXSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032453648 703630884 /nfs/dbraw/zinc/63/08/84/703630884.db2.gz ILBFCUITXLWKHG-FHWLQOOXSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032453648 703630885 /nfs/dbraw/zinc/63/08/85/703630885.db2.gz ILBFCUITXLWKHG-FHWLQOOXSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCOCC1 ZINC001032453648 703630886 /nfs/dbraw/zinc/63/08/86/703630886.db2.gz ILBFCUITXLWKHG-FHWLQOOXSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597703 704292988 /nfs/dbraw/zinc/29/29/88/704292988.db2.gz HDZICFQSQMLJPP-FCGDIQPGSA-N 2 1 345.487 1.043 20 30 EDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597703 704292992 /nfs/dbraw/zinc/29/29/92/704292992.db2.gz HDZICFQSQMLJPP-FCGDIQPGSA-N 2 1 345.487 1.043 20 30 EDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597703 704292995 /nfs/dbraw/zinc/29/29/95/704292995.db2.gz HDZICFQSQMLJPP-FCGDIQPGSA-N 2 1 345.487 1.043 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CC3)C[C@@H]2C)CC1 ZINC000945179378 705211324 /nfs/dbraw/zinc/21/13/24/705211324.db2.gz HSKATWPIVFAUIB-LPHOPBHVSA-N 2 1 331.504 1.958 20 30 EDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731394 707268501 /nfs/dbraw/zinc/26/85/01/707268501.db2.gz OVXFZWFHKXYWLK-FGTMMUONSA-N 2 1 335.492 1.452 20 30 EDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731394 707268505 /nfs/dbraw/zinc/26/85/05/707268505.db2.gz OVXFZWFHKXYWLK-FGTMMUONSA-N 2 1 335.492 1.452 20 30 EDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731394 707268507 /nfs/dbraw/zinc/26/85/07/707268507.db2.gz OVXFZWFHKXYWLK-FGTMMUONSA-N 2 1 335.492 1.452 20 30 EDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731394 707268509 /nfs/dbraw/zinc/26/85/09/707268509.db2.gz OVXFZWFHKXYWLK-FGTMMUONSA-N 2 1 335.492 1.452 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCCCO2)CC1 ZINC001032800472 708081061 /nfs/dbraw/zinc/08/10/61/708081061.db2.gz KIIBXPGETDNOSX-GBESFXJTSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000921821381 708099194 /nfs/dbraw/zinc/09/91/94/708099194.db2.gz XSFNHWYXPSIJNB-KRWDZBQOSA-N 2 1 342.487 1.904 20 30 EDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033542000 708200440 /nfs/dbraw/zinc/20/04/40/708200440.db2.gz BCMMJMLNXVEIJM-QGZVFWFLSA-N 2 1 325.416 1.990 20 30 EDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033542000 708200441 /nfs/dbraw/zinc/20/04/41/708200441.db2.gz BCMMJMLNXVEIJM-QGZVFWFLSA-N 2 1 325.416 1.990 20 30 EDEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001003011186 709783178 /nfs/dbraw/zinc/78/31/78/709783178.db2.gz NBTAIOGQZMRUPE-SFHVURJKSA-N 2 1 335.492 1.787 20 30 EDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001034365054 709886136 /nfs/dbraw/zinc/88/61/36/709886136.db2.gz OFEYLKAYOMJIAT-SJORKVTESA-N 2 1 328.460 1.748 20 30 EDEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365054 709886141 /nfs/dbraw/zinc/88/61/41/709886141.db2.gz OFEYLKAYOMJIAT-SJORKVTESA-N 2 1 328.460 1.748 20 30 EDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034416422 709978464 /nfs/dbraw/zinc/97/84/64/709978464.db2.gz ZWLJNJQKMPIJBZ-ZCNNSNEGSA-N 2 1 339.483 1.936 20 30 EDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034416422 709978469 /nfs/dbraw/zinc/97/84/69/709978469.db2.gz ZWLJNJQKMPIJBZ-ZCNNSNEGSA-N 2 1 339.483 1.936 20 30 EDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034416422 709978474 /nfs/dbraw/zinc/97/84/74/709978474.db2.gz ZWLJNJQKMPIJBZ-ZCNNSNEGSA-N 2 1 339.483 1.936 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001034798660 711134491 /nfs/dbraw/zinc/13/44/91/711134491.db2.gz KJSBCMAVCYEDLM-RBSFLKMASA-N 2 1 329.872 1.477 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001034798660 711134495 /nfs/dbraw/zinc/13/44/95/711134495.db2.gz KJSBCMAVCYEDLM-RBSFLKMASA-N 2 1 329.872 1.477 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001034960365 711435359 /nfs/dbraw/zinc/43/53/59/711435359.db2.gz AEJXWNJZLOXNLI-MSOLQXFVSA-N 2 1 333.476 1.091 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001034960365 711435361 /nfs/dbraw/zinc/43/53/61/711435361.db2.gz AEJXWNJZLOXNLI-MSOLQXFVSA-N 2 1 333.476 1.091 20 30 EDEDMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C#N)cs3)C2)[C@H]1C(C)C ZINC000922392683 711457873 /nfs/dbraw/zinc/45/78/73/711457873.db2.gz GBETUFPXHRFYMP-MUIFIZLQSA-N 2 1 334.489 1.974 20 30 EDEDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C#N)cs3)C2)[C@H]1C(C)C ZINC000922392683 711457875 /nfs/dbraw/zinc/45/78/75/711457875.db2.gz GBETUFPXHRFYMP-MUIFIZLQSA-N 2 1 334.489 1.974 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033162535 712268703 /nfs/dbraw/zinc/26/87/03/712268703.db2.gz RSYBZSWWWBARPB-AEFFLSMTSA-N 2 1 345.512 1.921 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033162535 712268705 /nfs/dbraw/zinc/26/87/05/712268705.db2.gz RSYBZSWWWBARPB-AEFFLSMTSA-N 2 1 345.512 1.921 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2cccs2)C1 ZINC001033162535 712268707 /nfs/dbraw/zinc/26/87/07/712268707.db2.gz RSYBZSWWWBARPB-AEFFLSMTSA-N 2 1 345.512 1.921 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2cccs2)C1 ZINC001033162535 712268708 /nfs/dbraw/zinc/26/87/08/712268708.db2.gz RSYBZSWWWBARPB-AEFFLSMTSA-N 2 1 345.512 1.921 20 30 EDEDMP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])Nc2ccccn2)CCC[N@H+]1C ZINC000262675578 249322674 /nfs/dbraw/zinc/32/26/74/249322674.db2.gz TWFQTGSDRPSMAV-XJKSGUPXSA-N 2 1 327.436 1.625 20 30 EDEDMP CC[C@H](C)NC(=[NH2+])NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000264080766 249332366 /nfs/dbraw/zinc/33/23/66/249332366.db2.gz IKKGNWHAYJFYSK-AWEZNQCLSA-N 2 1 331.464 1.277 20 30 EDEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000424153135 252145053 /nfs/dbraw/zinc/14/50/53/252145053.db2.gz JJZUQTNTVYZNTR-ZWKOTPCHSA-N 2 1 328.460 1.688 20 30 EDEDMP C#CCN1CCC(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000490651675 255097724 /nfs/dbraw/zinc/09/77/24/255097724.db2.gz VCDTYVBBCGYGAF-UHFFFAOYSA-N 2 1 336.524 1.064 20 30 EDEDMP C[NH+](C)CCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000053955060 441549042 /nfs/dbraw/zinc/54/90/42/441549042.db2.gz FHIAQIGIESANNT-UHFFFAOYSA-N 2 1 343.475 1.727 20 30 EDEDMP COCc1ccccc1NC(=[NH2+])NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090064876 441618607 /nfs/dbraw/zinc/61/86/07/441618607.db2.gz GDCXTOCEWXKWKG-CVEARBPZSA-N 2 1 332.448 1.813 20 30 EDEDMP COCc1ccccc1NC(=[NH2+])NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090064876 441618613 /nfs/dbraw/zinc/61/86/13/441618613.db2.gz GDCXTOCEWXKWKG-CVEARBPZSA-N 2 1 332.448 1.813 20 30 EDEDMP CC[N@H+](CCO)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000186576997 442564616 /nfs/dbraw/zinc/56/46/16/442564616.db2.gz ROARQVNQWMAKTG-UHFFFAOYSA-N 2 1 330.476 1.426 20 30 EDEDMP CC[N@@H+](CCO)CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000186576997 442564621 /nfs/dbraw/zinc/56/46/21/442564621.db2.gz ROARQVNQWMAKTG-UHFFFAOYSA-N 2 1 330.476 1.426 20 30 EDEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261934339 443174168 /nfs/dbraw/zinc/17/41/68/443174168.db2.gz CDTOYTMBZHVBBE-JKSUJKDBSA-N 2 1 331.464 1.594 20 30 EDEDMP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261659037 443163133 /nfs/dbraw/zinc/16/31/33/443163133.db2.gz AMRNBKCQTKMVLQ-RHSMWYFYSA-N 2 1 340.475 1.790 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000264128162 443250990 /nfs/dbraw/zinc/25/09/90/443250990.db2.gz WXVSMLCAQYPNMT-DOTOQJQBSA-N 2 1 336.455 1.365 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1OC ZINC000264130778 443251960 /nfs/dbraw/zinc/25/19/60/443251960.db2.gz YAGLAINIVCQMOK-AWEZNQCLSA-N 2 1 335.408 1.492 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn(C)nc1-c1ccccc1 ZINC000272767957 443438170 /nfs/dbraw/zinc/43/81/70/443438170.db2.gz SGDDZUPCWVXXNJ-KRWDZBQOSA-N 2 1 340.475 1.976 20 30 EDEDMP C=C(C)CNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267406132 443446114 /nfs/dbraw/zinc/44/61/14/443446114.db2.gz HAOGIYMFILASOZ-QGZVFWFLSA-N 2 1 343.475 1.364 20 30 EDEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289475026 444154247 /nfs/dbraw/zinc/15/42/47/444154247.db2.gz RILQRRUERITHJX-UHFFFAOYSA-N 2 1 348.491 1.761 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)NC(=O)OC(C)(C)C ZINC000304675332 444251386 /nfs/dbraw/zinc/25/13/86/444251386.db2.gz CXBPAYGAUWYWAM-ZDUSSCGKSA-N 2 1 341.500 1.678 20 30 EDEDMP COC[C@H](C)NC(=[NH2+])NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000304743436 444252532 /nfs/dbraw/zinc/25/25/32/444252532.db2.gz DBMOJSYMONYNMA-LBPRGKRZSA-N 2 1 339.509 1.603 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000290614903 444301638 /nfs/dbraw/zinc/30/16/38/444301638.db2.gz JUMPARKHAZFMPV-ZIFCJYIRSA-N 2 1 330.476 1.541 20 30 EDEDMP CCn1cnnc1C1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000329139857 444482451 /nfs/dbraw/zinc/48/24/51/444482451.db2.gz JDCJKRIGJXCEJA-UHFFFAOYSA-N 2 1 348.495 1.918 20 30 EDEDMP CCN1CCOC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000329487437 444600746 /nfs/dbraw/zinc/60/07/46/444600746.db2.gz XUBIGSSFKFFIAK-QZTJIDSGSA-N 2 1 347.459 1.430 20 30 EDEDMP C=CCOCCC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000348051750 445263508 /nfs/dbraw/zinc/26/35/08/445263508.db2.gz MVVOHTGDGAHJFJ-UHFFFAOYSA-N 2 1 337.508 1.845 20 30 EDEDMP C=C(C)C[N@H+](C)CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000351093682 445988311 /nfs/dbraw/zinc/98/83/11/445988311.db2.gz BRLVUWCYTFQGDO-UHFFFAOYSA-N 2 1 331.460 1.643 20 30 EDEDMP C=C(C)CN(C)CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000351093682 445988320 /nfs/dbraw/zinc/98/83/20/445988320.db2.gz BRLVUWCYTFQGDO-UHFFFAOYSA-N 2 1 331.460 1.643 20 30 EDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(F)(F)C[NH3+] ZINC000418519405 446578895 /nfs/dbraw/zinc/57/88/95/446578895.db2.gz BGFDKEVUSRIZPA-UHFFFAOYSA-N 2 1 339.390 1.225 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000491376173 448007100 /nfs/dbraw/zinc/00/71/00/448007100.db2.gz YYJHKJYZGZILJW-UHFFFAOYSA-N 2 1 329.448 1.177 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000491376173 448007108 /nfs/dbraw/zinc/00/71/08/448007108.db2.gz YYJHKJYZGZILJW-UHFFFAOYSA-N 2 1 329.448 1.177 20 30 EDEDMP C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000577846536 448401101 /nfs/dbraw/zinc/40/11/01/448401101.db2.gz ICFBRUUPUXGOPG-JQHSSLGASA-N 2 1 344.459 1.413 20 30 EDEDMP C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000577846536 448401103 /nfs/dbraw/zinc/40/11/03/448401103.db2.gz ICFBRUUPUXGOPG-JQHSSLGASA-N 2 1 344.459 1.413 20 30 EDEDMP C[C@@H](C#N)CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000542875313 448730392 /nfs/dbraw/zinc/73/03/92/448730392.db2.gz IQUYDRVEFHNMHB-INIZCTEOSA-N 2 1 349.523 1.984 20 30 EDEDMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000602175846 449407092 /nfs/dbraw/zinc/40/70/92/449407092.db2.gz AZXFCBHHFACDGQ-SFHVURJKSA-N 2 1 340.471 1.981 20 30 EDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594437463 449517155 /nfs/dbraw/zinc/51/71/55/449517155.db2.gz JUYKRZGCQCEQCY-KSZLIROESA-N 2 1 349.523 1.415 20 30 EDEDMP C[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C)[C@H]2CCO)[C@@H]1CCO ZINC000661498481 452299209 /nfs/dbraw/zinc/29/92/09/452299209.db2.gz LTPLETAPXVGUBF-IYWMVGAKSA-N 2 1 336.520 1.956 20 30 EDEDMP C[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](C)[C@H]2CCO)[C@@H]1CCO ZINC000661498481 452299220 /nfs/dbraw/zinc/29/92/20/452299220.db2.gz LTPLETAPXVGUBF-IYWMVGAKSA-N 2 1 336.520 1.956 20 30 EDEDMP C[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](C)[C@H]2CCO)[C@@H]1CCO ZINC000661498481 452299229 /nfs/dbraw/zinc/29/92/29/452299229.db2.gz LTPLETAPXVGUBF-IYWMVGAKSA-N 2 1 336.520 1.956 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000732066216 578689138 /nfs/dbraw/zinc/68/91/38/578689138.db2.gz KUVGRCPXFJGJJZ-OTWHNJEPSA-N 2 1 346.519 1.101 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000732066216 578689139 /nfs/dbraw/zinc/68/91/39/578689139.db2.gz KUVGRCPXFJGJJZ-OTWHNJEPSA-N 2 1 346.519 1.101 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000732066216 578689140 /nfs/dbraw/zinc/68/91/40/578689140.db2.gz KUVGRCPXFJGJJZ-OTWHNJEPSA-N 2 1 346.519 1.101 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000732066216 578689141 /nfs/dbraw/zinc/68/91/41/578689141.db2.gz KUVGRCPXFJGJJZ-OTWHNJEPSA-N 2 1 346.519 1.101 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000749068775 579712123 /nfs/dbraw/zinc/71/21/23/579712123.db2.gz OQCMGMFYTKCVGK-LPHOPBHVSA-N 2 1 340.471 1.821 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000749068775 579712124 /nfs/dbraw/zinc/71/21/24/579712124.db2.gz OQCMGMFYTKCVGK-LPHOPBHVSA-N 2 1 340.471 1.821 20 30 EDEDMP C[NH+]1CCN(N=C2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000755465628 579927592 /nfs/dbraw/zinc/92/75/92/579927592.db2.gz LZYYKIQKLCAWMZ-UHFFFAOYSA-N 2 1 328.460 1.885 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000764271697 580116870 /nfs/dbraw/zinc/11/68/70/580116870.db2.gz HHARFLPGSXBANE-QGZVFWFLSA-N 2 1 330.476 1.431 20 30 EDEDMP C#C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCCO1 ZINC000775793703 580400835 /nfs/dbraw/zinc/40/08/35/580400835.db2.gz NCCXTXYAEWJYBY-RCCFBDPRSA-N 2 1 329.444 1.176 20 30 EDEDMP CCC[N@H+]1CCC[C@H](C(=O)N(CCC#N)CCN2CCOCC2)C1 ZINC000906471417 592830029 /nfs/dbraw/zinc/83/00/29/592830029.db2.gz JEASJNFPIOEYCM-KRWDZBQOSA-N 2 1 336.480 1.183 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN(CCc2ccccc2)CC1 ZINC000836488738 594968740 /nfs/dbraw/zinc/96/87/40/594968740.db2.gz ZIUYKDTZJOCYOF-UHFFFAOYSA-N 2 1 342.487 1.511 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000836488738 594968742 /nfs/dbraw/zinc/96/87/42/594968742.db2.gz ZIUYKDTZJOCYOF-UHFFFAOYSA-N 2 1 342.487 1.511 20 30 EDEDMP C#C[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H]1CCCO1 ZINC000847757528 595479914 /nfs/dbraw/zinc/47/99/14/595479914.db2.gz AJPQHGOXOBRCLH-RBUKOAKNSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000855202409 595624526 /nfs/dbraw/zinc/62/45/26/595624526.db2.gz SKQVPRIBPQGSEN-SFHVURJKSA-N 2 1 333.476 1.091 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000855202409 595624530 /nfs/dbraw/zinc/62/45/30/595624530.db2.gz SKQVPRIBPQGSEN-SFHVURJKSA-N 2 1 333.476 1.091 20 30 EDEDMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876970054 597401371 /nfs/dbraw/zinc/40/13/71/597401371.db2.gz HTFXGNIXVSEJHJ-BEFAXECRSA-N 2 1 340.471 1.982 20 30 EDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993365353 696013994 /nfs/dbraw/zinc/01/39/94/696013994.db2.gz MNGVGNRKSYSPAW-SJORKVTESA-N 2 1 347.507 1.994 20 30 EDEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941567466 701579830 /nfs/dbraw/zinc/57/98/30/701579830.db2.gz ULTJSOLPLAFHOU-UHFFFAOYSA-N 2 1 348.535 1.513 20 30 EDEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000941595861 701587447 /nfs/dbraw/zinc/58/74/47/701587447.db2.gz QEALEUQIIHCCRX-IBGZPJMESA-N 2 1 346.519 1.101 20 30 EDEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000941595861 701587448 /nfs/dbraw/zinc/58/74/48/701587448.db2.gz QEALEUQIIHCCRX-IBGZPJMESA-N 2 1 346.519 1.101 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000940461648 700664802 /nfs/dbraw/zinc/66/48/02/700664802.db2.gz GVWBWFKJFYGJFI-GOSISDBHSA-N 2 1 340.471 1.981 20 30 EDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000940795883 700914965 /nfs/dbraw/zinc/91/49/65/700914965.db2.gz WJSMXVCHAYPEOZ-MSOLQXFVSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C(C)(C)C1 ZINC000940795883 700914966 /nfs/dbraw/zinc/91/49/66/700914966.db2.gz WJSMXVCHAYPEOZ-MSOLQXFVSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C(C)(C)C1 ZINC000940795883 700914967 /nfs/dbraw/zinc/91/49/67/700914967.db2.gz WJSMXVCHAYPEOZ-MSOLQXFVSA-N 2 1 347.503 1.480 20 30 EDEDMP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cn1ccnc1 ZINC000945806325 701196211 /nfs/dbraw/zinc/19/62/11/701196211.db2.gz CORARGJWUYJLJW-YJBOKZPZSA-N 2 1 337.427 1.782 20 30 EDEDMP C[C@H]1CN(Cc2ccccc2C#N)CC[C@@H]1NC(=O)Cn1ccnc1 ZINC000945806325 701196213 /nfs/dbraw/zinc/19/62/13/701196213.db2.gz CORARGJWUYJLJW-YJBOKZPZSA-N 2 1 337.427 1.782 20 30 EDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941158427 701222687 /nfs/dbraw/zinc/22/26/87/701222687.db2.gz NTKKRWNAYVXOHV-SFHVURJKSA-N 2 1 331.504 1.958 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941437302 701540384 /nfs/dbraw/zinc/54/03/84/701540384.db2.gz YACLKNYZHKHCMC-SFHVURJKSA-N 2 1 348.535 1.654 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941437302 701540385 /nfs/dbraw/zinc/54/03/85/701540385.db2.gz YACLKNYZHKHCMC-SFHVURJKSA-N 2 1 348.535 1.654 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC000999189895 706632034 /nfs/dbraw/zinc/63/20/34/706632034.db2.gz ODIPYDIXZBYUOB-ATZDWAIDSA-N 2 1 340.471 1.979 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000995920329 702241601 /nfs/dbraw/zinc/24/16/01/702241601.db2.gz FCNRTEQPVSFXNL-ZWKOTPCHSA-N 2 1 340.471 1.506 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000995920329 702241602 /nfs/dbraw/zinc/24/16/02/702241602.db2.gz FCNRTEQPVSFXNL-ZWKOTPCHSA-N 2 1 340.471 1.506 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000995926502 702254606 /nfs/dbraw/zinc/25/46/06/702254606.db2.gz VXNRWIRCPZWECA-HOTGVXAUSA-N 2 1 346.500 1.567 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000995926502 702254613 /nfs/dbraw/zinc/25/46/13/702254613.db2.gz VXNRWIRCPZWECA-HOTGVXAUSA-N 2 1 346.500 1.567 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001033085588 704149730 /nfs/dbraw/zinc/14/97/30/704149730.db2.gz VFFUJZLADAINQH-FGTMMUONSA-N 2 1 340.471 1.710 20 30 EDEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000998009504 705179275 /nfs/dbraw/zinc/17/92/75/705179275.db2.gz YKCQZDJYWUPQAQ-KRWDZBQOSA-N 2 1 347.507 1.947 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000998271712 705651441 /nfs/dbraw/zinc/65/14/41/705651441.db2.gz HQLFXNCEDKTFMY-LJQANCHMSA-N 2 1 340.471 1.838 20 30 EDEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999144697 706558189 /nfs/dbraw/zinc/55/81/89/706558189.db2.gz GCALKTTVARXUCV-RDVIWEACSA-N 2 1 339.867 1.181 20 30 EDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690432 707123022 /nfs/dbraw/zinc/12/30/22/707123022.db2.gz QUUVIAKFORIFBV-PBIMCDDKSA-N 2 1 345.487 1.206 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999715048 707252687 /nfs/dbraw/zinc/25/26/87/707252687.db2.gz SKGBJHKENLYJOG-AWEZNQCLSA-N 2 1 343.456 1.906 20 30 EDEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999764463 707318984 /nfs/dbraw/zinc/31/89/84/707318984.db2.gz KMNLTMDLNHEYHO-GYMHETDLSA-N 2 1 339.867 1.183 20 30 EDEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999989941 707665135 /nfs/dbraw/zinc/66/51/35/707665135.db2.gz IHNBZQQLHBODMS-IRXDYDNUSA-N 2 1 346.479 1.200 20 30 EDEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999989941 707665138 /nfs/dbraw/zinc/66/51/38/707665138.db2.gz IHNBZQQLHBODMS-IRXDYDNUSA-N 2 1 346.479 1.200 20 30 EDEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999989941 707665140 /nfs/dbraw/zinc/66/51/40/707665140.db2.gz IHNBZQQLHBODMS-IRXDYDNUSA-N 2 1 346.479 1.200 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033581022 708262432 /nfs/dbraw/zinc/26/24/32/708262432.db2.gz ICBYJKLDHFGOOF-OALUTQOASA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033581022 708262435 /nfs/dbraw/zinc/26/24/35/708262435.db2.gz ICBYJKLDHFGOOF-OALUTQOASA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033581022 708262436 /nfs/dbraw/zinc/26/24/36/708262436.db2.gz ICBYJKLDHFGOOF-OALUTQOASA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664001 708445398 /nfs/dbraw/zinc/44/53/98/708445398.db2.gz BGAMIDDGMRMRCR-DOTOQJQBSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664001 708445400 /nfs/dbraw/zinc/44/54/00/708445400.db2.gz BGAMIDDGMRMRCR-DOTOQJQBSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664001 708445401 /nfs/dbraw/zinc/44/54/01/708445401.db2.gz BGAMIDDGMRMRCR-DOTOQJQBSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664001 708445403 /nfs/dbraw/zinc/44/54/03/708445403.db2.gz BGAMIDDGMRMRCR-DOTOQJQBSA-N 2 1 344.434 1.682 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001005519586 709506661 /nfs/dbraw/zinc/50/66/61/709506661.db2.gz XBXLZTPEYSDWON-HKUYNNGSSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001005519586 709506664 /nfs/dbraw/zinc/50/66/64/709506664.db2.gz XBXLZTPEYSDWON-HKUYNNGSSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001003009448 709795139 /nfs/dbraw/zinc/79/51/39/709795139.db2.gz WQPXNPBNLRJLTI-SFHVURJKSA-N 2 1 333.476 1.234 20 30 EDEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001004622749 712069146 /nfs/dbraw/zinc/06/91/46/712069146.db2.gz YZOBIIQEGWPGRR-OALUTQOASA-N 2 1 349.519 1.986 20 30 EDEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004622749 712069151 /nfs/dbraw/zinc/06/91/51/712069151.db2.gz YZOBIIQEGWPGRR-OALUTQOASA-N 2 1 349.519 1.986 20 30 EDEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001004622749 712069154 /nfs/dbraw/zinc/06/91/54/712069154.db2.gz YZOBIIQEGWPGRR-OALUTQOASA-N 2 1 349.519 1.986 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001004622749 712069155 /nfs/dbraw/zinc/06/91/55/712069155.db2.gz YZOBIIQEGWPGRR-OALUTQOASA-N 2 1 349.519 1.986 20 30 EDEDMP Cc1nc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1C#N ZINC000517651855 268073197 /nfs/dbraw/zinc/07/31/97/268073197.db2.gz IGIUIVXIEUVYRJ-UHFFFAOYSA-N 2 1 336.399 1.661 20 30 EDEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000530235133 268297779 /nfs/dbraw/zinc/29/77/79/268297779.db2.gz WQOYFDNWDSNAMF-ABHNRTSZSA-N 2 1 329.444 1.904 20 30 EDEDMP CCNC(NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)=[NH+]CC ZINC000066245646 441516105 /nfs/dbraw/zinc/51/61/05/441516105.db2.gz RBMSXLAEQWLAOR-UHFFFAOYSA-N 2 1 341.500 1.504 20 30 EDEDMP C[C@H](O)C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000122411557 441847938 /nfs/dbraw/zinc/84/79/38/441847938.db2.gz PVECXRSLISGTFB-FUHWJXTLSA-N 2 1 348.491 1.168 20 30 EDEDMP C[NH+]=C(NCc1nc(C)cs1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179080095 442566789 /nfs/dbraw/zinc/56/67/89/442566789.db2.gz JJKGMGOTRNRJFA-AWEZNQCLSA-N 2 1 337.493 1.181 20 30 EDEDMP CCNC(NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)=[NH+]CC ZINC000264118451 443249392 /nfs/dbraw/zinc/24/93/92/443249392.db2.gz QMTOMALLWWKHSZ-UHFFFAOYSA-N 2 1 331.464 1.149 20 30 EDEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])N[C@H](C)COC)CC1 ZINC000264123823 443250386 /nfs/dbraw/zinc/25/03/86/443250386.db2.gz VTLGAMZNFOXGET-MRXNPFEDSA-N 2 1 347.507 1.263 20 30 EDEDMP CC(C)CCNC(=[NH2+])NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000264143429 443252899 /nfs/dbraw/zinc/25/28/99/443252899.db2.gz XCFQSKWFZBVBGW-UHFFFAOYSA-N 2 1 345.491 1.525 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccn(-c2ccccc2)n1 ZINC000264318436 443260590 /nfs/dbraw/zinc/26/05/90/443260590.db2.gz WZNVSFNJZBGQQY-GOSISDBHSA-N 2 1 340.475 1.803 20 30 EDEDMP CC1CCN(C(=[NH2+])NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000272944565 443497571 /nfs/dbraw/zinc/49/75/71/443497571.db2.gz OCMDAOUFILBYDV-GOSISDBHSA-N 2 1 330.476 1.800 20 30 EDEDMP C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C[NH+]1CCOCC1 ZINC000304744990 444252448 /nfs/dbraw/zinc/25/24/48/444252448.db2.gz DXODPXLUEDHMBS-GDBMZVCRSA-N 2 1 332.448 1.383 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000296460195 444232027 /nfs/dbraw/zinc/23/20/27/444232027.db2.gz YZLPPOHFHLLXFM-MRXNPFEDSA-N 2 1 332.448 1.671 20 30 EDEDMP Cn1ccnc1N1CCC(NC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000328717483 444439624 /nfs/dbraw/zinc/43/96/24/444439624.db2.gz FJCKPPWSKZSJEC-AWEZNQCLSA-N 2 1 337.493 1.783 20 30 EDEDMP Cn1cc[nH+]c1N1CCC(NC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000328717483 444439629 /nfs/dbraw/zinc/43/96/29/444439629.db2.gz FJCKPPWSKZSJEC-AWEZNQCLSA-N 2 1 337.493 1.783 20 30 EDEDMP CC[N@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330222945 444894692 /nfs/dbraw/zinc/89/46/92/444894692.db2.gz AAEJYNIEHDEDBJ-SJORKVTESA-N 2 1 338.496 1.306 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000348301025 445248058 /nfs/dbraw/zinc/24/80/58/445248058.db2.gz FVVDIKMUSWFKGZ-HRCADAONSA-N 2 1 338.496 1.877 20 30 EDEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364348163 445913459 /nfs/dbraw/zinc/91/34/59/445913459.db2.gz QYRIDXPDNJQKIF-KZNAEPCWSA-N 2 1 335.492 1.666 20 30 EDEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364348163 445913462 /nfs/dbraw/zinc/91/34/62/445913462.db2.gz QYRIDXPDNJQKIF-KZNAEPCWSA-N 2 1 335.492 1.666 20 30 EDEDMP CC[NH2+][C@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418601616 446612004 /nfs/dbraw/zinc/61/20/04/446612004.db2.gz LNSGJZRZVDMZCJ-MRXNPFEDSA-N 2 1 343.475 1.774 20 30 EDEDMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)C2)nc(C)[nH+]1 ZINC000375787712 447048749 /nfs/dbraw/zinc/04/87/49/447048749.db2.gz HEWJIYPYWHUYPN-ZBFHGGJFSA-N 2 1 344.463 1.412 20 30 EDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)CC[C@H]2CCCC[N@H+]2C)c1C#N ZINC000554288831 448021341 /nfs/dbraw/zinc/02/13/41/448021341.db2.gz LOSPCILZODGOBY-CYBMUJFWSA-N 2 1 332.452 1.636 20 30 EDEDMP C[NH+]1CCC(C#N)(NC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000562782731 448268738 /nfs/dbraw/zinc/26/87/38/448268738.db2.gz MFMWLBAYPRQUKM-UHFFFAOYSA-N 2 1 326.444 1.539 20 30 EDEDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000566108132 448390727 /nfs/dbraw/zinc/39/07/27/448390727.db2.gz CVHYSSUAPPUUIS-QZTJIDSGSA-N 2 1 331.460 1.814 20 30 EDEDMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000592158449 448717441 /nfs/dbraw/zinc/71/74/41/448717441.db2.gz CJKWECNQFAKPPC-AEFFLSMTSA-N 2 1 343.475 1.334 20 30 EDEDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000595904600 449244371 /nfs/dbraw/zinc/24/43/71/449244371.db2.gz IFQWLUMUHFMZFC-PKOBYXMFSA-N 2 1 347.459 1.341 20 30 EDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000595904600 449244375 /nfs/dbraw/zinc/24/43/75/449244375.db2.gz IFQWLUMUHFMZFC-PKOBYXMFSA-N 2 1 347.459 1.341 20 30 EDEDMP C[NH+]1CCN([C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)c2cccs2)CC1 ZINC000600727622 449521262 /nfs/dbraw/zinc/52/12/62/449521262.db2.gz PAUGKANXVDDHTA-CVEARBPZSA-N 2 1 348.516 1.681 20 30 EDEDMP C=CCN(C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@@H](C)COC ZINC000664128986 452809392 /nfs/dbraw/zinc/80/93/92/452809392.db2.gz DMQZUIGFTCLNPD-HOTGVXAUSA-N 2 1 338.496 1.387 20 30 EDEDMP C=CCN(C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H](C)COC ZINC000664128986 452809394 /nfs/dbraw/zinc/80/93/94/452809394.db2.gz DMQZUIGFTCLNPD-HOTGVXAUSA-N 2 1 338.496 1.387 20 30 EDEDMP CC[NH+]=C(NCc1c(C)nn(C)c1C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000128829632 528816101 /nfs/dbraw/zinc/81/61/01/528816101.db2.gz KYDOESADJOKFCL-SWLSCSKDSA-N 2 1 332.496 1.717 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(NC(C)=O)cc1 ZINC000264092961 535597117 /nfs/dbraw/zinc/59/71/17/535597117.db2.gz LTDBJXVAXSULNV-KRWDZBQOSA-N 2 1 331.464 1.576 20 30 EDEDMP N#Cc1cnn2c1NC[C@@H](C[NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000733331036 578759871 /nfs/dbraw/zinc/75/98/71/578759871.db2.gz XVOAEVFFXKZVSQ-PBHICJAKSA-N 2 1 344.463 1.029 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000764629842 580125073 /nfs/dbraw/zinc/12/50/73/580125073.db2.gz DOYQPLWEPYOSJT-ROUUACIJSA-N 2 1 331.460 1.103 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000891921059 590689468 /nfs/dbraw/zinc/68/94/68/590689468.db2.gz IVAHMMBITHACAA-GOSISDBHSA-N 2 1 344.459 1.306 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000907566776 592712468 /nfs/dbraw/zinc/71/24/68/592712468.db2.gz JNSFBNQBFZTBLO-FUHWJXTLSA-N 2 1 347.507 1.769 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000907739378 592766640 /nfs/dbraw/zinc/76/66/40/592766640.db2.gz UPDRQZOXKSFUJT-LJQANCHMSA-N 2 1 345.487 1.902 20 30 EDEDMP CO[C@H](CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C)C(C)C ZINC000912505648 593101394 /nfs/dbraw/zinc/10/13/94/593101394.db2.gz BTKUPEZXBAJZCT-MRXNPFEDSA-N 2 1 342.528 1.713 20 30 EDEDMP C#Cc1ccccc1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000811890850 593485431 /nfs/dbraw/zinc/48/54/31/593485431.db2.gz FBVRDBYFMHAVCU-UHFFFAOYSA-N 2 1 334.423 1.996 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)/C=C/c1ccccc1C#N ZINC000855346196 595681066 /nfs/dbraw/zinc/68/10/66/595681066.db2.gz RKCGRNRAZTVXBL-OFAQMXQXSA-N 2 1 328.460 1.960 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)/C=C/c1ccccc1C#N ZINC000855346196 595681069 /nfs/dbraw/zinc/68/10/69/595681069.db2.gz RKCGRNRAZTVXBL-OFAQMXQXSA-N 2 1 328.460 1.960 20 30 EDEDMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876738083 597314699 /nfs/dbraw/zinc/31/46/99/597314699.db2.gz YTAVXAVUFUHVFV-ZRGWGRIASA-N 2 1 340.471 1.982 20 30 EDEDMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876738083 597314702 /nfs/dbraw/zinc/31/47/02/597314702.db2.gz YTAVXAVUFUHVFV-ZRGWGRIASA-N 2 1 340.471 1.982 20 30 EDEDMP C[NH+](C)CCn1cc(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cn1 ZINC000876747085 597319345 /nfs/dbraw/zinc/31/93/45/597319345.db2.gz VANOUYRRLZDHJD-QGZVFWFLSA-N 2 1 338.415 1.142 20 30 EDEDMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876955959 597396252 /nfs/dbraw/zinc/39/62/52/597396252.db2.gz CUQQDNVNTGHMFW-QAPCUYQASA-N 2 1 340.471 1.982 20 30 EDEDMP C#CCN(C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000914074053 695068767 /nfs/dbraw/zinc/06/87/67/695068767.db2.gz XKQFYZZVPNIKPZ-DLBZAZTESA-N 2 1 334.508 1.988 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001031742657 698315994 /nfs/dbraw/zinc/31/59/94/698315994.db2.gz OGXVSRHCJSJSOX-SFHVURJKSA-N 2 1 329.488 1.712 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001031742657 698315997 /nfs/dbraw/zinc/31/59/97/698315997.db2.gz OGXVSRHCJSJSOX-SFHVURJKSA-N 2 1 329.488 1.712 20 30 EDEDMP C=C(C)CN1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941531660 701572689 /nfs/dbraw/zinc/57/26/89/701572689.db2.gz CXENBDBSLNMMNT-GOSISDBHSA-N 2 1 348.535 1.513 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC000941531660 701572690 /nfs/dbraw/zinc/57/26/90/701572690.db2.gz CXENBDBSLNMMNT-GOSISDBHSA-N 2 1 348.535 1.513 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941531660 701572691 /nfs/dbraw/zinc/57/26/91/701572691.db2.gz CXENBDBSLNMMNT-GOSISDBHSA-N 2 1 348.535 1.513 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941533359 701573309 /nfs/dbraw/zinc/57/33/09/701573309.db2.gz BMBQUFMKIHGBGX-IRXDYDNUSA-N 2 1 334.508 1.121 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408884 701521354 /nfs/dbraw/zinc/52/13/54/701521354.db2.gz WVEIFZMSOMHGQN-QZTJIDSGSA-N 2 1 346.519 1.265 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408884 701521355 /nfs/dbraw/zinc/52/13/55/701521355.db2.gz WVEIFZMSOMHGQN-QZTJIDSGSA-N 2 1 346.519 1.265 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408886 701521386 /nfs/dbraw/zinc/52/13/86/701521386.db2.gz WVEIFZMSOMHGQN-ZWKOTPCHSA-N 2 1 346.519 1.265 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408886 701521388 /nfs/dbraw/zinc/52/13/88/701521388.db2.gz WVEIFZMSOMHGQN-ZWKOTPCHSA-N 2 1 346.519 1.265 20 30 EDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995898323 702203307 /nfs/dbraw/zinc/20/33/07/702203307.db2.gz SWPHRFLHYUIAID-JKSUJKDBSA-N 2 1 333.480 1.216 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1(C)C ZINC000996310357 702699731 /nfs/dbraw/zinc/69/97/31/702699731.db2.gz MKVBSEBLFKFSOI-INIZCTEOSA-N 2 1 330.432 1.344 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)C1 ZINC000996618516 702925139 /nfs/dbraw/zinc/92/51/39/702925139.db2.gz XLJZAZWHPWRRJM-ZWKOTPCHSA-N 2 1 340.471 1.837 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC(OCC)C2)CC1 ZINC000996687985 702985229 /nfs/dbraw/zinc/98/52/29/702985229.db2.gz ZZRDEHIVJJJZKF-KVZIAJEVSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC(OCC)C2)CC1 ZINC000996687985 702985230 /nfs/dbraw/zinc/98/52/30/702985230.db2.gz ZZRDEHIVJJJZKF-KVZIAJEVSA-N 2 1 347.503 1.480 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC000997300855 703544095 /nfs/dbraw/zinc/54/40/95/703544095.db2.gz YMURVIKGECWLPN-KRWDZBQOSA-N 2 1 326.444 1.591 20 30 EDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598088 704311138 /nfs/dbraw/zinc/31/11/38/704311138.db2.gz XOQGEMCKPNQXEV-FCGDIQPGSA-N 2 1 347.503 1.596 20 30 EDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598088 704311143 /nfs/dbraw/zinc/31/11/43/704311143.db2.gz XOQGEMCKPNQXEV-FCGDIQPGSA-N 2 1 347.503 1.596 20 30 EDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598088 704311146 /nfs/dbraw/zinc/31/11/46/704311146.db2.gz XOQGEMCKPNQXEV-FCGDIQPGSA-N 2 1 347.503 1.596 20 30 EDEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004383390 704362586 /nfs/dbraw/zinc/36/25/86/704362586.db2.gz YHZQPNJAAFVDQY-MSOLQXFVSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004383390 704362587 /nfs/dbraw/zinc/36/25/87/704362587.db2.gz YHZQPNJAAFVDQY-MSOLQXFVSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004383390 704362588 /nfs/dbraw/zinc/36/25/88/704362588.db2.gz YHZQPNJAAFVDQY-MSOLQXFVSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004383390 704362589 /nfs/dbraw/zinc/36/25/89/704362589.db2.gz YHZQPNJAAFVDQY-MSOLQXFVSA-N 2 1 335.492 1.596 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ocnc2C)CC1 ZINC000997832897 704752664 /nfs/dbraw/zinc/75/26/64/704752664.db2.gz ZYTUAPYOURYZTJ-KRWDZBQOSA-N 2 1 344.459 1.409 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ocnc2C)CC1 ZINC000997832897 704752667 /nfs/dbraw/zinc/75/26/67/704752667.db2.gz ZYTUAPYOURYZTJ-KRWDZBQOSA-N 2 1 344.459 1.409 20 30 EDEDMP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998102604 705341311 /nfs/dbraw/zinc/34/13/11/705341311.db2.gz NQEKBQDDGZGBOT-ROUUACIJSA-N 2 1 335.492 1.432 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998102604 705341313 /nfs/dbraw/zinc/34/13/13/705341313.db2.gz NQEKBQDDGZGBOT-ROUUACIJSA-N 2 1 335.492 1.432 20 30 EDEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000998102604 705341315 /nfs/dbraw/zinc/34/13/15/705341315.db2.gz NQEKBQDDGZGBOT-ROUUACIJSA-N 2 1 335.492 1.432 20 30 EDEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000998102604 705341317 /nfs/dbraw/zinc/34/13/17/705341317.db2.gz NQEKBQDDGZGBOT-ROUUACIJSA-N 2 1 335.492 1.432 20 30 EDEDMP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998105574 705350178 /nfs/dbraw/zinc/35/01/78/705350178.db2.gz ZGRQTDVBARKTPA-RBUKOAKNSA-N 2 1 349.519 1.822 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998105574 705350181 /nfs/dbraw/zinc/35/01/81/705350181.db2.gz ZGRQTDVBARKTPA-RBUKOAKNSA-N 2 1 349.519 1.822 20 30 EDEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000998105574 705350185 /nfs/dbraw/zinc/35/01/85/705350185.db2.gz ZGRQTDVBARKTPA-RBUKOAKNSA-N 2 1 349.519 1.822 20 30 EDEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000998105574 705350189 /nfs/dbraw/zinc/35/01/89/705350189.db2.gz ZGRQTDVBARKTPA-RBUKOAKNSA-N 2 1 349.519 1.822 20 30 EDEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C(F)(F)F ZINC000998281289 705674241 /nfs/dbraw/zinc/67/42/41/705674241.db2.gz PFKUFUKHSOQPJR-QWHCGFSZSA-N 2 1 330.354 1.747 20 30 EDEDMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000998548305 705983842 /nfs/dbraw/zinc/98/38/42/705983842.db2.gz GDSVJIKGWGFGIY-HTWSVDAQSA-N 2 1 344.434 1.871 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000998720140 706152379 /nfs/dbraw/zinc/15/23/79/706152379.db2.gz IIAMQOYNOCFIIZ-SJLPKXTDSA-N 2 1 344.434 1.872 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998725168 706160086 /nfs/dbraw/zinc/16/00/86/706160086.db2.gz VMQAWZGSGXBKTF-CZUORRHYSA-N 2 1 332.473 1.795 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccsc2)C1 ZINC000998927262 706355733 /nfs/dbraw/zinc/35/57/33/706355733.db2.gz DPUOAINOZCSJOM-JCYILVPMSA-N 2 1 331.485 1.925 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccsc2)C1 ZINC000998927262 706355735 /nfs/dbraw/zinc/35/57/35/706355735.db2.gz DPUOAINOZCSJOM-JCYILVPMSA-N 2 1 331.485 1.925 20 30 EDEDMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033391249 707767047 /nfs/dbraw/zinc/76/70/47/707767047.db2.gz PYHUZXSZDZUEDE-FQEVSTJZSA-N 2 1 339.483 1.913 20 30 EDEDMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033391249 707767052 /nfs/dbraw/zinc/76/70/52/707767052.db2.gz PYHUZXSZDZUEDE-FQEVSTJZSA-N 2 1 339.483 1.913 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033656686 708426612 /nfs/dbraw/zinc/42/66/12/708426612.db2.gz DBHPESUJPPYCDI-SFHVURJKSA-N 2 1 337.427 1.796 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033656686 708426615 /nfs/dbraw/zinc/42/66/15/708426615.db2.gz DBHPESUJPPYCDI-SFHVURJKSA-N 2 1 337.427 1.796 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)NC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC001002444828 708965229 /nfs/dbraw/zinc/96/52/29/708965229.db2.gz PONSZPMZWBGWGB-IBGZPJMESA-N 2 1 343.446 1.852 20 30 EDEDMP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC001002444828 708965232 /nfs/dbraw/zinc/96/52/32/708965232.db2.gz PONSZPMZWBGWGB-IBGZPJMESA-N 2 1 343.446 1.852 20 30 EDEDMP C#CCN(C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000922207759 710423251 /nfs/dbraw/zinc/42/32/51/710423251.db2.gz VKFJTIRTVXUBOM-SFHVURJKSA-N 2 1 332.492 1.742 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001034798659 711134470 /nfs/dbraw/zinc/13/44/70/711134470.db2.gz KJSBCMAVCYEDLM-KKUMJFAQSA-N 2 1 329.872 1.477 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001034798659 711134474 /nfs/dbraw/zinc/13/44/74/711134474.db2.gz KJSBCMAVCYEDLM-KKUMJFAQSA-N 2 1 329.872 1.477 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001034885759 711290441 /nfs/dbraw/zinc/29/04/41/711290441.db2.gz YPHAOZKZXFBMIQ-SJLPKXTDSA-N 2 1 344.434 1.872 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)[nH]c1C ZINC000448853363 285248466 /nfs/dbraw/zinc/24/84/66/285248466.db2.gz OMMJMBRXEVCZNY-MRXNPFEDSA-N 2 1 331.464 1.683 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OCCOC ZINC000264106856 285253720 /nfs/dbraw/zinc/25/37/20/285253720.db2.gz PUQYTGBLLLWNRW-MRXNPFEDSA-N 2 1 334.464 1.600 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000333740811 141370511 /nfs/dbraw/zinc/37/05/11/141370511.db2.gz XOCKGWBXEYZDGP-GOSISDBHSA-N 2 1 341.459 1.528 20 30 EDEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000305064363 270011422 /nfs/dbraw/zinc/01/14/22/270011422.db2.gz HUSAHBOKKPSSMY-MOPGFXCFSA-N 2 1 328.460 1.303 20 30 EDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000305064363 270011423 /nfs/dbraw/zinc/01/14/23/270011423.db2.gz HUSAHBOKKPSSMY-MOPGFXCFSA-N 2 1 328.460 1.303 20 30 EDEDMP C=C(C)C[N@H+](C)CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000378491564 447435133 /nfs/dbraw/zinc/43/51/33/447435133.db2.gz HCVDJJPJBYXPEW-GOSISDBHSA-N 2 1 331.460 1.512 20 30 EDEDMP C=C(C)CN(C)CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000378491564 447435137 /nfs/dbraw/zinc/43/51/37/447435137.db2.gz HCVDJJPJBYXPEW-GOSISDBHSA-N 2 1 331.460 1.512 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)CC1 ZINC000090561682 441634835 /nfs/dbraw/zinc/63/48/35/441634835.db2.gz ZBZHGKWSCDBRGU-IAGOWNOFSA-N 2 1 336.480 1.189 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)CC1 ZINC000090561682 441634839 /nfs/dbraw/zinc/63/48/39/441634839.db2.gz ZBZHGKWSCDBRGU-IAGOWNOFSA-N 2 1 336.480 1.189 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000068095306 441727944 /nfs/dbraw/zinc/72/79/44/441727944.db2.gz WPYQIDMTYLXNRO-INIZCTEOSA-N 2 1 333.476 1.043 20 30 EDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1sccc1C#N ZINC000182956968 442854509 /nfs/dbraw/zinc/85/45/09/442854509.db2.gz WSWZQUGPSAXEDH-UHFFFAOYSA-N 2 1 349.504 1.518 20 30 EDEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261945861 443175801 /nfs/dbraw/zinc/17/58/01/443175801.db2.gz FVERGKNIQKJAIZ-RDJZCZTQSA-N 2 1 343.475 1.594 20 30 EDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000267506747 443479710 /nfs/dbraw/zinc/47/97/10/443479710.db2.gz YRZDCBNYDLPSKD-QGZVFWFLSA-N 2 1 347.507 1.004 20 30 EDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000267506747 443479713 /nfs/dbraw/zinc/47/97/13/443479713.db2.gz YRZDCBNYDLPSKD-QGZVFWFLSA-N 2 1 347.507 1.004 20 30 EDEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000281407954 443903031 /nfs/dbraw/zinc/90/30/31/443903031.db2.gz QZMPLFAASBAUKW-CEXWTWQISA-N 2 1 325.456 1.837 20 30 EDEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000281407954 443903032 /nfs/dbraw/zinc/90/30/32/443903032.db2.gz QZMPLFAASBAUKW-CEXWTWQISA-N 2 1 325.456 1.837 20 30 EDEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)C1=O ZINC000281407954 443903034 /nfs/dbraw/zinc/90/30/34/443903034.db2.gz QZMPLFAASBAUKW-CEXWTWQISA-N 2 1 325.456 1.837 20 30 EDEDMP [NH2+]=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000290669445 444308551 /nfs/dbraw/zinc/30/85/51/444308551.db2.gz OVADBSMVCXQMFG-SFHVURJKSA-N 2 1 330.476 1.936 20 30 EDEDMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000329923844 444770817 /nfs/dbraw/zinc/77/08/17/444770817.db2.gz IRVHYZYSHROYJM-ZBFHGGJFSA-N 2 1 338.496 1.208 20 30 EDEDMP CN1CCN(C)[C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000330139312 444858963 /nfs/dbraw/zinc/85/89/63/444858963.db2.gz WEKXXDHKFWLOET-QGZVFWFLSA-N 2 1 337.512 1.143 20 30 EDEDMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000330181707 444876210 /nfs/dbraw/zinc/87/62/10/444876210.db2.gz GUZUKYLLTQMXJB-AKBNIOSXSA-N 2 1 338.496 1.303 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000366287364 446128993 /nfs/dbraw/zinc/12/89/93/446128993.db2.gz ICLMEMZTTGHJEI-ZWKOTPCHSA-N 2 1 333.476 1.091 20 30 EDEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000420296573 446460069 /nfs/dbraw/zinc/46/00/69/446460069.db2.gz QJLNIAUAVYKHIP-INIZCTEOSA-N 2 1 346.475 1.261 20 30 EDEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000420296573 446460075 /nfs/dbraw/zinc/46/00/75/446460075.db2.gz QJLNIAUAVYKHIP-INIZCTEOSA-N 2 1 346.475 1.261 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433334395 446555885 /nfs/dbraw/zinc/55/58/85/446555885.db2.gz HKWQSFPMFZETNN-INIZCTEOSA-N 2 1 338.496 1.437 20 30 EDEDMP C[NH+]1CCN([C@H](CNC(=O)[C@H]([NH3+])CCCC#N)c2cccs2)CC1 ZINC000566146980 448395781 /nfs/dbraw/zinc/39/57/81/448395781.db2.gz WBVOZLHOSOETAU-HUUCEWRRSA-N 2 1 349.504 1.174 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000592524188 448877297 /nfs/dbraw/zinc/87/72/97/448877297.db2.gz WTFXPDRBSCWZBU-QGZVFWFLSA-N 2 1 336.480 1.143 20 30 EDEDMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000593885997 449263740 /nfs/dbraw/zinc/26/37/40/449263740.db2.gz NGGXDENMMZKTPZ-DNVCBOLYSA-N 2 1 340.471 1.979 20 30 EDEDMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC2)CC1 ZINC000598621014 449498259 /nfs/dbraw/zinc/49/82/59/449498259.db2.gz DHUAWYGEGJIAKH-GOSISDBHSA-N 2 1 336.524 1.779 20 30 EDEDMP Cc1ccc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1C#N ZINC000599318107 449888489 /nfs/dbraw/zinc/88/84/89/449888489.db2.gz GOTHPRXAHXLWMC-GOSISDBHSA-N 2 1 326.444 1.605 20 30 EDEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000610511808 450250118 /nfs/dbraw/zinc/25/01/18/450250118.db2.gz HTYSQZPKYCOXEG-BPQIPLTHSA-N 2 1 331.460 1.907 20 30 EDEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000610511808 450250122 /nfs/dbraw/zinc/25/01/22/450250122.db2.gz HTYSQZPKYCOXEG-BPQIPLTHSA-N 2 1 331.460 1.907 20 30 EDEDMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC[NH+]1C ZINC000610511808 450250125 /nfs/dbraw/zinc/25/01/25/450250125.db2.gz HTYSQZPKYCOXEG-BPQIPLTHSA-N 2 1 331.460 1.907 20 30 EDEDMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC[NH+]1C ZINC000610511808 450250128 /nfs/dbraw/zinc/25/01/28/450250128.db2.gz HTYSQZPKYCOXEG-BPQIPLTHSA-N 2 1 331.460 1.907 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(N(C)C)Cc2ccccc2C1 ZINC000267387325 535596428 /nfs/dbraw/zinc/59/64/28/535596428.db2.gz BYPZDESYXHUXNH-SFHVURJKSA-N 2 1 343.519 1.474 20 30 EDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000267387325 535596430 /nfs/dbraw/zinc/59/64/30/535596430.db2.gz BYPZDESYXHUXNH-SFHVURJKSA-N 3 1 343.519 1.474 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000267387325 535596434 /nfs/dbraw/zinc/59/64/34/535596434.db2.gz BYPZDESYXHUXNH-SFHVURJKSA-N 3 1 343.519 1.474 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267387341 535596822 /nfs/dbraw/zinc/59/68/22/535596822.db2.gz CAIIMUXVFSWPHX-INIZCTEOSA-N 3 1 335.471 1.776 20 30 EDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)c(CN(C)C)c1 ZINC000267387341 535596828 /nfs/dbraw/zinc/59/68/28/535596828.db2.gz CAIIMUXVFSWPHX-INIZCTEOSA-N 2 1 335.471 1.776 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)c(CN(C)C)c1 ZINC000267387341 535596831 /nfs/dbraw/zinc/59/68/31/535596831.db2.gz CAIIMUXVFSWPHX-INIZCTEOSA-N 2 1 335.471 1.776 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000764232515 580116257 /nfs/dbraw/zinc/11/62/57/580116257.db2.gz LSLKFAKKZXQWDG-UHFFFAOYSA-N 2 1 344.503 1.428 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000792497445 580821298 /nfs/dbraw/zinc/82/12/98/580821298.db2.gz KDFKEBVABNDOMH-MOPGFXCFSA-N 2 1 325.456 1.722 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792497445 580821299 /nfs/dbraw/zinc/82/12/99/580821299.db2.gz KDFKEBVABNDOMH-MOPGFXCFSA-N 2 1 325.456 1.722 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000792497445 580821300 /nfs/dbraw/zinc/82/13/00/580821300.db2.gz KDFKEBVABNDOMH-MOPGFXCFSA-N 2 1 325.456 1.722 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000792497445 580821301 /nfs/dbraw/zinc/82/13/01/580821301.db2.gz KDFKEBVABNDOMH-MOPGFXCFSA-N 2 1 325.456 1.722 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000900747740 592117348 /nfs/dbraw/zinc/11/73/48/592117348.db2.gz SVPSDQPQRKBPHT-KRWDZBQOSA-N 2 1 345.491 1.216 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000901130485 592243929 /nfs/dbraw/zinc/24/39/29/592243929.db2.gz JAEMDASKVCBFND-MOPGFXCFSA-N 2 1 345.487 1.494 20 30 EDEDMP C[N@H+]1CCCN(c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000827249211 594656258 /nfs/dbraw/zinc/65/62/58/594656258.db2.gz GNXMZAWFBSWAGO-QGZVFWFLSA-N 2 1 329.448 1.788 20 30 EDEDMP C=CC[C@@]1(C(=O)NCc2cccnc2-n2cc[nH+]c2C)CCC[NH2+]1 ZINC000852861705 595583179 /nfs/dbraw/zinc/58/31/79/595583179.db2.gz HEWQLCFZDIJDQA-SFHVURJKSA-N 2 1 325.416 1.890 20 30 EDEDMP CC[NH+](Cc1cc(C#N)cc(C[N@H+](CC)[C@@H](C)CO)c1)[C@@H](C)CO ZINC000878654857 597668514 /nfs/dbraw/zinc/66/85/14/597668514.db2.gz YPCPSKUTXOAQTD-HOTGVXAUSA-N 2 1 333.476 1.964 20 30 EDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000884421696 598100769 /nfs/dbraw/zinc/10/07/69/598100769.db2.gz BNOSJPZUDZOIFN-WPZCVXBKSA-N 2 1 330.476 1.364 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993367842 696016495 /nfs/dbraw/zinc/01/64/95/696016495.db2.gz QZMMKJGDDJZVIJ-CVEARBPZSA-N 2 1 331.464 1.051 20 30 EDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993367842 696016497 /nfs/dbraw/zinc/01/64/97/696016497.db2.gz QZMMKJGDDJZVIJ-CVEARBPZSA-N 2 1 331.464 1.051 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000941595398 701587286 /nfs/dbraw/zinc/58/72/86/701587286.db2.gz IOSUOYRLUOPQMN-SFHVURJKSA-N 2 1 334.508 1.264 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000941595398 701587287 /nfs/dbraw/zinc/58/72/87/701587287.db2.gz IOSUOYRLUOPQMN-SFHVURJKSA-N 2 1 334.508 1.264 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)C1 ZINC000941636449 701601942 /nfs/dbraw/zinc/60/19/42/701601942.db2.gz MPWKDVMAJBXBNF-MSOLQXFVSA-N 2 1 348.535 1.511 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ncc(C)o3)C2)CC1 ZINC000939811832 699959824 /nfs/dbraw/zinc/95/98/24/699959824.db2.gz VCVUGCVZULJODL-WMLDXEAASA-N 2 1 344.459 1.265 20 30 EDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000940795885 700914947 /nfs/dbraw/zinc/91/49/47/700914947.db2.gz WJSMXVCHAYPEOZ-ROUUACIJSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C(C)(C)C1 ZINC000940795885 700914948 /nfs/dbraw/zinc/91/49/48/700914948.db2.gz WJSMXVCHAYPEOZ-ROUUACIJSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C(C)(C)C1 ZINC000940795885 700914949 /nfs/dbraw/zinc/91/49/49/700914949.db2.gz WJSMXVCHAYPEOZ-ROUUACIJSA-N 2 1 347.503 1.480 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408754 701521373 /nfs/dbraw/zinc/52/13/73/701521373.db2.gz RWWHMNWHUBWDLB-QZTJIDSGSA-N 2 1 346.519 1.265 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941437358 701540465 /nfs/dbraw/zinc/54/04/65/701540465.db2.gz ZBHHHTQGSCHFOJ-KRWDZBQOSA-N 2 1 334.508 1.264 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941437358 701540466 /nfs/dbraw/zinc/54/04/66/701540466.db2.gz ZBHHHTQGSCHFOJ-KRWDZBQOSA-N 2 1 334.508 1.264 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000995900417 702206520 /nfs/dbraw/zinc/20/65/20/702206520.db2.gz XZMNVZLNMFMHRU-IRXDYDNUSA-N 2 1 333.476 1.090 20 30 EDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996187479 702592513 /nfs/dbraw/zinc/59/25/13/702592513.db2.gz LXESUKOFWQHTFT-LSDHHAIUSA-N 2 1 343.899 1.675 20 30 EDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996187479 702592515 /nfs/dbraw/zinc/59/25/15/702592515.db2.gz LXESUKOFWQHTFT-LSDHHAIUSA-N 2 1 343.899 1.675 20 30 EDEDMP C=CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996802367 703088456 /nfs/dbraw/zinc/08/84/56/703088456.db2.gz MQEQZISWZKXSFX-AOCRQIFASA-N 2 1 334.508 1.169 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000997150097 703418926 /nfs/dbraw/zinc/41/89/26/703418926.db2.gz UJXHRBOXIQJPLU-AOIWGVFYSA-N 2 1 347.503 1.337 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000997150097 703418927 /nfs/dbraw/zinc/41/89/27/703418927.db2.gz UJXHRBOXIQJPLU-AOIWGVFYSA-N 2 1 347.503 1.337 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@H](C)COC)CC1 ZINC000997624196 703920978 /nfs/dbraw/zinc/92/09/78/703920978.db2.gz NMYJWGRSLLAZJS-RYRKJORJSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@H](C)COC)CC1 ZINC000997624196 703920979 /nfs/dbraw/zinc/92/09/79/703920979.db2.gz NMYJWGRSLLAZJS-RYRKJORJSA-N 2 1 335.492 1.336 20 30 EDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598091 704311373 /nfs/dbraw/zinc/31/13/73/704311373.db2.gz XOQGEMCKPNQXEV-ZSYWTGECSA-N 2 1 347.503 1.596 20 30 EDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598091 704311374 /nfs/dbraw/zinc/31/13/74/704311374.db2.gz XOQGEMCKPNQXEV-ZSYWTGECSA-N 2 1 347.503 1.596 20 30 EDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598091 704311376 /nfs/dbraw/zinc/31/13/76/704311376.db2.gz XOQGEMCKPNQXEV-ZSYWTGECSA-N 2 1 347.503 1.596 20 30 EDEDMP C=C(Br)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC000999833580 707465790 /nfs/dbraw/zinc/46/57/90/707465790.db2.gz NEECECKJRZJXIE-UHFFFAOYSA-N 2 1 341.253 1.679 20 30 EDEDMP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999996445 707676630 /nfs/dbraw/zinc/67/66/30/707676630.db2.gz JIVVCBQZGSWNDJ-IRXDYDNUSA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999996445 707676632 /nfs/dbraw/zinc/67/66/32/707676632.db2.gz JIVVCBQZGSWNDJ-IRXDYDNUSA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999996445 707676634 /nfs/dbraw/zinc/67/66/34/707676634.db2.gz JIVVCBQZGSWNDJ-IRXDYDNUSA-N 2 1 346.479 1.202 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423894 707840483 /nfs/dbraw/zinc/84/04/83/707840483.db2.gz UTUBIALFUJDOTG-IBGZPJMESA-N 2 1 327.472 1.960 20 30 EDEDMP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1C#N ZINC001016257265 708149671 /nfs/dbraw/zinc/14/96/71/708149671.db2.gz WCUGUEAZDVNJFF-DOTOQJQBSA-N 2 1 342.443 1.209 20 30 EDEDMP COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1C#N ZINC001016257265 708149676 /nfs/dbraw/zinc/14/96/76/708149676.db2.gz WCUGUEAZDVNJFF-DOTOQJQBSA-N 2 1 342.443 1.209 20 30 EDEDMP COc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1C#N ZINC001016257265 708149678 /nfs/dbraw/zinc/14/96/78/708149678.db2.gz WCUGUEAZDVNJFF-DOTOQJQBSA-N 2 1 342.443 1.209 20 30 EDEDMP COc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1C#N ZINC001016257265 708149681 /nfs/dbraw/zinc/14/96/81/708149681.db2.gz WCUGUEAZDVNJFF-DOTOQJQBSA-N 2 1 342.443 1.209 20 30 EDEDMP C[C@@]12CN(C(=O)[C@H]([NH3+])CCCC#N)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702111215 709322056 /nfs/dbraw/zinc/32/20/56/709322056.db2.gz KMDQONNKBXPXGN-NLWGTHIKSA-N 2 1 340.471 1.988 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034241251 709626881 /nfs/dbraw/zinc/62/68/81/709626881.db2.gz PPQYWWRERCOQAK-PKOBYXMFSA-N 2 1 347.503 1.624 20 30 EDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034241251 709626882 /nfs/dbraw/zinc/62/68/82/709626882.db2.gz PPQYWWRERCOQAK-PKOBYXMFSA-N 2 1 347.503 1.624 20 30 EDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034241251 709626883 /nfs/dbraw/zinc/62/68/83/709626883.db2.gz PPQYWWRERCOQAK-PKOBYXMFSA-N 2 1 347.503 1.624 20 30 EDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312270 709757766 /nfs/dbraw/zinc/75/77/66/709757766.db2.gz OMYUZTKQFGZLAA-MRXNPFEDSA-N 2 1 328.460 1.756 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312270 709757769 /nfs/dbraw/zinc/75/77/69/709757769.db2.gz OMYUZTKQFGZLAA-MRXNPFEDSA-N 2 1 328.460 1.756 20 30 EDEDMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC001004143764 711544387 /nfs/dbraw/zinc/54/43/87/711544387.db2.gz PDKUHHQRTOTIQJ-INIZCTEOSA-N 2 1 344.434 1.730 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC001004143764 711544390 /nfs/dbraw/zinc/54/43/90/711544390.db2.gz PDKUHHQRTOTIQJ-INIZCTEOSA-N 2 1 344.434 1.730 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004469054 711845125 /nfs/dbraw/zinc/84/51/25/711845125.db2.gz LLIMTPJNXFYRMX-BHIYHBOVSA-N 2 1 347.503 1.432 20 30 EDEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004469054 711845127 /nfs/dbraw/zinc/84/51/27/711845127.db2.gz LLIMTPJNXFYRMX-BHIYHBOVSA-N 2 1 347.503 1.432 20 30 EDEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001004469054 711845129 /nfs/dbraw/zinc/84/51/29/711845129.db2.gz LLIMTPJNXFYRMX-BHIYHBOVSA-N 2 1 347.503 1.432 20 30 EDEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001004469054 711845132 /nfs/dbraw/zinc/84/51/32/711845132.db2.gz LLIMTPJNXFYRMX-BHIYHBOVSA-N 2 1 347.503 1.432 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC=C)C[C@H]2CC1 ZINC000946627746 711973007 /nfs/dbraw/zinc/97/30/07/711973007.db2.gz CZONDYVVAGKUIA-OTWHNJEPSA-N 2 1 329.488 1.831 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC=C)C[C@H]2CC1 ZINC000946627746 711973009 /nfs/dbraw/zinc/97/30/09/711973009.db2.gz CZONDYVVAGKUIA-OTWHNJEPSA-N 2 1 329.488 1.831 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC=C)C[C@H]2CC1 ZINC000946627746 711973012 /nfs/dbraw/zinc/97/30/12/711973012.db2.gz CZONDYVVAGKUIA-OTWHNJEPSA-N 2 1 329.488 1.831 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC=C)C[C@H]2CC1 ZINC000946627746 711973014 /nfs/dbraw/zinc/97/30/14/711973014.db2.gz CZONDYVVAGKUIA-OTWHNJEPSA-N 2 1 329.488 1.831 20 30 EDEDMP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086502125 712361949 /nfs/dbraw/zinc/36/19/49/712361949.db2.gz GCHJBHNSGBJKJW-MRXNPFEDSA-N 3 1 349.523 1.033 20 30 EDEDMP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086502125 712361952 /nfs/dbraw/zinc/36/19/52/712361952.db2.gz GCHJBHNSGBJKJW-MRXNPFEDSA-N 3 1 349.523 1.033 20 30 EDEDMP C=CCNC(=O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377268335 250287466 /nfs/dbraw/zinc/28/74/66/250287466.db2.gz STTUXGLMGKHZQT-UHFFFAOYSA-N 2 1 336.524 1.417 20 30 EDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000528389032 268298002 /nfs/dbraw/zinc/29/80/02/268298002.db2.gz RYRXLSIJORUBTP-AEFFLSMTSA-N 2 1 329.444 1.716 20 30 EDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000528389032 268298004 /nfs/dbraw/zinc/29/80/04/268298004.db2.gz RYRXLSIJORUBTP-AEFFLSMTSA-N 2 1 329.444 1.716 20 30 EDEDMP CCNC(NCc1ccc(C[NH+]2CCN(CC)CC2)cc1)=[NH+]CC ZINC000066243414 441516042 /nfs/dbraw/zinc/51/60/42/441516042.db2.gz LXKOVZXILYEWGL-UHFFFAOYSA-N 2 1 331.508 1.899 20 30 EDEDMP C[NH+]=C(NCc1cn2ccccc2n1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261864904 443172714 /nfs/dbraw/zinc/17/27/14/443172714.db2.gz ZVNJINNVFNUABW-XJKSGUPXSA-N 2 1 326.448 1.482 20 30 EDEDMP C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261659007 443162710 /nfs/dbraw/zinc/16/27/10/443162710.db2.gz AMIGSADDHUKTRJ-LXGCGDOSSA-N 2 1 342.487 1.468 20 30 EDEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000262525601 443199963 /nfs/dbraw/zinc/19/99/63/443199963.db2.gz KTGOEHBUIGPUSK-GFCCVEGCSA-N 2 1 345.369 1.558 20 30 EDEDMP C[NH+]=C(NC[C@@](C)(O)c1ccco1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262766204 443211727 /nfs/dbraw/zinc/21/17/27/443211727.db2.gz HGNXQBSSZFXIBG-KRWWSPQJSA-N 2 1 334.464 1.667 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1c(F)cccc1F ZINC000264063485 443247129 /nfs/dbraw/zinc/24/71/29/443247129.db2.gz AGVXJLQCRSATDP-UHFFFAOYSA-N 2 1 326.391 1.134 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1Cn1ccnc1 ZINC000264055250 443247665 /nfs/dbraw/zinc/24/76/65/443247665.db2.gz APBDEAFTGPANNI-GOSISDBHSA-N 2 1 340.475 1.820 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000269406271 443305669 /nfs/dbraw/zinc/30/56/69/443305669.db2.gz FBRGBOHQSISSOI-XJKSGUPXSA-N 2 1 346.475 1.907 20 30 EDEDMP COc1ccc(CCNC(=[NH2+])NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000267205485 443378017 /nfs/dbraw/zinc/37/80/17/443378017.db2.gz RFWGSILVXIMRHE-KRWDZBQOSA-N 2 1 336.505 1.579 20 30 EDEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000274847463 443612849 /nfs/dbraw/zinc/61/28/49/443612849.db2.gz OCAJLCYVXDRFTN-QZTJIDSGSA-N 2 1 337.508 1.914 20 30 EDEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000274847463 443612850 /nfs/dbraw/zinc/61/28/50/443612850.db2.gz OCAJLCYVXDRFTN-QZTJIDSGSA-N 2 1 337.508 1.914 20 30 EDEDMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292996247 443898506 /nfs/dbraw/zinc/89/85/06/443898506.db2.gz OKQZWJFZGUYIME-HKUYNNGSSA-N 2 1 329.444 1.716 20 30 EDEDMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292996247 443898510 /nfs/dbraw/zinc/89/85/10/443898510.db2.gz OKQZWJFZGUYIME-HKUYNNGSSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292996247 443898514 /nfs/dbraw/zinc/89/85/14/443898514.db2.gz OKQZWJFZGUYIME-HKUYNNGSSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292996247 443898518 /nfs/dbraw/zinc/89/85/18/443898518.db2.gz OKQZWJFZGUYIME-HKUYNNGSSA-N 2 1 329.444 1.716 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000295105106 444165865 /nfs/dbraw/zinc/16/58/65/444165865.db2.gz WPBYEVCBHRHGBT-INIZCTEOSA-N 2 1 349.500 1.832 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000295105106 444165867 /nfs/dbraw/zinc/16/58/67/444165867.db2.gz WPBYEVCBHRHGBT-INIZCTEOSA-N 2 1 349.500 1.832 20 30 EDEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000305064369 444256850 /nfs/dbraw/zinc/25/68/50/444256850.db2.gz HUSAHBOKKPSSMY-RBUKOAKNSA-N 2 1 328.460 1.303 20 30 EDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000305064369 444256852 /nfs/dbraw/zinc/25/68/52/444256852.db2.gz HUSAHBOKKPSSMY-RBUKOAKNSA-N 2 1 328.460 1.303 20 30 EDEDMP CC[NH+]1CCN(c2ccc(C#N)c(N3CC[NH+](CC)CC3)n2)CC1 ZINC000302792664 444224834 /nfs/dbraw/zinc/22/48/34/444224834.db2.gz ZHYKRWGVHGWZDK-UHFFFAOYSA-N 2 1 328.464 1.237 20 30 EDEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000579824002 321974063 /nfs/dbraw/zinc/97/40/63/321974063.db2.gz SIGUGZBIURIUIY-YOEHRIQHSA-N 2 1 328.416 1.729 20 30 EDEDMP O=C(C[N@H+]1CCC[C@@H](n2cncn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329142860 444482725 /nfs/dbraw/zinc/48/27/25/444482725.db2.gz LQAXQXNWSZBECX-MRXNPFEDSA-N 2 1 332.452 1.498 20 30 EDEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000330015790 444811147 /nfs/dbraw/zinc/81/11/47/444811147.db2.gz OOBLSYTUBHCDQM-UHFFFAOYSA-N 2 1 328.420 1.789 20 30 EDEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000330015790 444811153 /nfs/dbraw/zinc/81/11/53/444811153.db2.gz OOBLSYTUBHCDQM-UHFFFAOYSA-N 2 1 328.420 1.789 20 30 EDEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000330250900 444907138 /nfs/dbraw/zinc/90/71/38/444907138.db2.gz NDQLMHAQENIMLE-QZTJIDSGSA-N 2 1 332.492 1.945 20 30 EDEDMP C[N@@H+](CC(=O)Nc1sccc1C#N)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366000593 445954057 /nfs/dbraw/zinc/95/40/57/445954057.db2.gz MMRFJWNXDYBROI-LBPRGKRZSA-N 2 1 329.429 1.949 20 30 EDEDMP C[N@H+](CC(=O)Nc1sccc1C#N)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366000593 445954060 /nfs/dbraw/zinc/95/40/60/445954060.db2.gz MMRFJWNXDYBROI-LBPRGKRZSA-N 2 1 329.429 1.949 20 30 EDEDMP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367309824 446535708 /nfs/dbraw/zinc/53/57/08/446535708.db2.gz KYGHXLPUWHLENS-JKSUJKDBSA-N 2 1 332.492 1.943 20 30 EDEDMP C(#CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1)C[NH+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000367465146 446550972 /nfs/dbraw/zinc/55/09/72/446550972.db2.gz YIERZEKWYSGNSR-YRPNKDGESA-N 2 1 332.488 1.992 20 30 EDEDMP C(#CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)C[NH+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000367465146 446550978 /nfs/dbraw/zinc/55/09/78/446550978.db2.gz YIERZEKWYSGNSR-YRPNKDGESA-N 2 1 332.488 1.992 20 30 EDEDMP C(#CC[N@H+]1CC[C@@H]2OCCC[C@H]2C1)C[NH+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000367465146 446550984 /nfs/dbraw/zinc/55/09/84/446550984.db2.gz YIERZEKWYSGNSR-YRPNKDGESA-N 2 1 332.488 1.992 20 30 EDEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442713690 446941486 /nfs/dbraw/zinc/94/14/86/446941486.db2.gz JLBMQUBSARRHKW-WMZOPIPTSA-N 2 1 326.444 1.856 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000491440617 448029870 /nfs/dbraw/zinc/02/98/70/448029870.db2.gz PZDCPEGRXHDYLM-GUDVDZBRSA-N 2 1 347.503 1.169 20 30 EDEDMP C#CCNC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000491495316 448043576 /nfs/dbraw/zinc/04/35/76/448043576.db2.gz IKXMJXIZGOCVIF-MOPGFXCFSA-N 2 1 325.456 1.580 20 30 EDEDMP C#CCNC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000491495316 448043579 /nfs/dbraw/zinc/04/35/79/448043579.db2.gz IKXMJXIZGOCVIF-MOPGFXCFSA-N 2 1 325.456 1.580 20 30 EDEDMP C#CCNC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000491495316 448043586 /nfs/dbraw/zinc/04/35/86/448043586.db2.gz IKXMJXIZGOCVIF-MOPGFXCFSA-N 2 1 325.456 1.580 20 30 EDEDMP OC1([C@H]2CCCC[NH+]2CC#CC[N@@H+]2CCCC[C@@H]2C2(O)CC2)CC1 ZINC000568601530 448893743 /nfs/dbraw/zinc/89/37/43/448893743.db2.gz YWJMYJJKUNQQQY-QZTJIDSGSA-N 2 1 332.488 1.749 20 30 EDEDMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593882314 449259883 /nfs/dbraw/zinc/25/98/83/449259883.db2.gz HMPHBECEAQLFGO-UHFFFAOYSA-N 2 1 328.460 1.981 20 30 EDEDMP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000595978301 449294701 /nfs/dbraw/zinc/29/47/01/449294701.db2.gz UOWNCJCGBZRIOM-SJORKVTESA-N 2 1 335.496 1.025 20 30 EDEDMP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000595978301 449294706 /nfs/dbraw/zinc/29/47/06/449294706.db2.gz UOWNCJCGBZRIOM-SJORKVTESA-N 2 1 335.496 1.025 20 30 EDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000602069833 449320654 /nfs/dbraw/zinc/32/06/54/449320654.db2.gz FGLOWLFKOSJWFQ-SFHVURJKSA-N 2 1 328.460 1.790 20 30 EDEDMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)O1 ZINC000602088631 449334799 /nfs/dbraw/zinc/33/47/99/449334799.db2.gz QOMNPFNPGOUREA-YJBOKZPZSA-N 2 1 344.459 1.168 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)O1 ZINC000602088631 449334804 /nfs/dbraw/zinc/33/48/04/449334804.db2.gz QOMNPFNPGOUREA-YJBOKZPZSA-N 2 1 344.459 1.168 20 30 EDEDMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000600746804 449531058 /nfs/dbraw/zinc/53/10/58/449531058.db2.gz XOXBGXHVRYCAOC-FHWLQOOXSA-N 2 1 343.471 1.514 20 30 EDEDMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000600746804 449531063 /nfs/dbraw/zinc/53/10/63/449531063.db2.gz XOXBGXHVRYCAOC-FHWLQOOXSA-N 2 1 343.471 1.514 20 30 EDEDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600722556 449517976 /nfs/dbraw/zinc/51/79/76/449517976.db2.gz HDGSXYZXOMBVDJ-QGZVFWFLSA-N 2 1 328.416 1.873 20 30 EDEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000602543923 449663538 /nfs/dbraw/zinc/66/35/38/449663538.db2.gz MTWXONSZYVEYNL-JKSUJKDBSA-N 2 1 336.480 1.262 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(C#N)nc1 ZINC000599248813 449830311 /nfs/dbraw/zinc/83/03/11/449830311.db2.gz APGAFHTTYSHFME-SFHVURJKSA-N 2 1 343.475 1.370 20 30 EDEDMP CC(C)CCNC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264070971 535384984 /nfs/dbraw/zinc/38/49/84/535384984.db2.gz GDKKZDASIJSKFH-UHFFFAOYSA-N 2 1 331.508 1.884 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000900729207 592110257 /nfs/dbraw/zinc/11/02/57/592110257.db2.gz CBOXOHVQOWJNLA-IAGOWNOFSA-N 2 1 325.497 1.748 20 30 EDEDMP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCc3c(CC#N)cccc3C2)cnn1C ZINC000903935375 592386398 /nfs/dbraw/zinc/38/63/98/592386398.db2.gz OQNHHJSLRJJNNF-INIZCTEOSA-N 2 1 337.471 1.970 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000907739375 592766584 /nfs/dbraw/zinc/76/65/84/592766584.db2.gz UPDRQZOXKSFUJT-IBGZPJMESA-N 2 1 345.487 1.902 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000838622756 593197074 /nfs/dbraw/zinc/19/70/74/593197074.db2.gz LDPHZYWLMGOHDK-LJQANCHMSA-N 2 1 342.487 1.857 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000838622756 593197076 /nfs/dbraw/zinc/19/70/76/593197076.db2.gz LDPHZYWLMGOHDK-LJQANCHMSA-N 2 1 342.487 1.857 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000838622756 593197077 /nfs/dbraw/zinc/19/70/77/593197077.db2.gz LDPHZYWLMGOHDK-LJQANCHMSA-N 2 1 342.487 1.857 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000836458389 594965400 /nfs/dbraw/zinc/96/54/00/594965400.db2.gz JMNOCLGTVFRBLB-PKOBYXMFSA-N 2 1 342.487 1.904 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C ZINC000836458389 594965401 /nfs/dbraw/zinc/96/54/01/594965401.db2.gz JMNOCLGTVFRBLB-PKOBYXMFSA-N 2 1 342.487 1.904 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C ZINC000836458389 594965402 /nfs/dbraw/zinc/96/54/02/594965402.db2.gz JMNOCLGTVFRBLB-PKOBYXMFSA-N 2 1 342.487 1.904 20 30 EDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000876726304 597307246 /nfs/dbraw/zinc/30/72/46/597307246.db2.gz CZUWNIWUHOPIOM-CQSZACIVSA-N 2 1 327.881 1.905 20 30 EDEDMP C=CCC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)[C@H]1CCCO1 ZINC000883189550 597681193 /nfs/dbraw/zinc/68/11/93/597681193.db2.gz JXBGTNNJWBDHFR-GBESFXJTSA-N 2 1 337.508 1.496 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852132 597754546 /nfs/dbraw/zinc/75/45/46/597754546.db2.gz XGWVAHBALBCPGC-IBGZPJMESA-N 2 1 340.471 1.152 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852132 597754549 /nfs/dbraw/zinc/75/45/49/597754549.db2.gz XGWVAHBALBCPGC-IBGZPJMESA-N 2 1 340.471 1.152 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000941471298 701549890 /nfs/dbraw/zinc/54/98/90/701549890.db2.gz WHWRPQUGIJWQBY-IBGZPJMESA-N 2 1 348.535 1.511 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941471298 701549891 /nfs/dbraw/zinc/54/98/91/701549891.db2.gz WHWRPQUGIJWQBY-IBGZPJMESA-N 2 1 348.535 1.511 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941475007 701551156 /nfs/dbraw/zinc/55/11/56/701551156.db2.gz JORJOTVCYSIQAS-UHFFFAOYSA-N 2 1 332.492 1.019 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3coc(C)n3)C2)CC1 ZINC000939808775 699957464 /nfs/dbraw/zinc/95/74/64/699957464.db2.gz GSHCGJOXWSZULH-KBXCAEBGSA-N 2 1 344.459 1.265 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940751179 700889435 /nfs/dbraw/zinc/88/94/35/700889435.db2.gz NBAABBDBQLGCMD-QGZVFWFLSA-N 2 1 345.491 1.298 20 30 EDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973500 701015669 /nfs/dbraw/zinc/01/56/69/701015669.db2.gz WFGROGHWFFQBTQ-DLBZAZTESA-N 2 1 335.492 1.336 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973500 701015671 /nfs/dbraw/zinc/01/56/71/701015671.db2.gz WFGROGHWFFQBTQ-DLBZAZTESA-N 2 1 335.492 1.336 20 30 EDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973500 701015672 /nfs/dbraw/zinc/01/56/72/701015672.db2.gz WFGROGHWFFQBTQ-DLBZAZTESA-N 2 1 335.492 1.336 20 30 EDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973500 701015674 /nfs/dbraw/zinc/01/56/74/701015674.db2.gz WFGROGHWFFQBTQ-DLBZAZTESA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941436789 701540164 /nfs/dbraw/zinc/54/01/64/701540164.db2.gz GPKGXZJBXYNCTR-GOSISDBHSA-N 2 1 346.519 1.101 20 30 EDEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941436789 701540165 /nfs/dbraw/zinc/54/01/65/701540165.db2.gz GPKGXZJBXYNCTR-GOSISDBHSA-N 2 1 346.519 1.101 20 30 EDEDMP COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032182713 702207480 /nfs/dbraw/zinc/20/74/80/702207480.db2.gz QARUTJUCCBIYNL-INIZCTEOSA-N 2 1 342.443 1.067 20 30 EDEDMP COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032182713 702207486 /nfs/dbraw/zinc/20/74/86/702207486.db2.gz QARUTJUCCBIYNL-INIZCTEOSA-N 2 1 342.443 1.067 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995962023 702328559 /nfs/dbraw/zinc/32/85/59/702328559.db2.gz YFFAHQLQNKVSEK-MCIONIFRSA-N 2 1 329.872 1.285 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995962023 702328565 /nfs/dbraw/zinc/32/85/65/702328565.db2.gz YFFAHQLQNKVSEK-MCIONIFRSA-N 2 1 329.872 1.285 20 30 EDEDMP C#CCN1CC[NH+](C2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996794599 703079189 /nfs/dbraw/zinc/07/91/89/703079189.db2.gz AUBHXDFJHSBSIG-VIQWUECVSA-N 2 1 346.519 1.006 20 30 EDEDMP C#CCN1CC[NH+](C2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000996788779 703081297 /nfs/dbraw/zinc/08/12/97/703081297.db2.gz LCGIKNQPAQBKQP-LMDPOFIKSA-N 2 1 346.519 1.006 20 30 EDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538862 704584630 /nfs/dbraw/zinc/58/46/30/704584630.db2.gz WHAXAXRJBUWKOG-ROUUACIJSA-N 2 1 325.456 1.713 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997832818 704752671 /nfs/dbraw/zinc/75/26/71/704752671.db2.gz WIJVRFWNXYNPHG-KRWDZBQOSA-N 2 1 330.432 1.100 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997832818 704752672 /nfs/dbraw/zinc/75/26/72/704752672.db2.gz WIJVRFWNXYNPHG-KRWDZBQOSA-N 2 1 330.432 1.100 20 30 EDEDMP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998102602 705341510 /nfs/dbraw/zinc/34/15/10/705341510.db2.gz NQEKBQDDGZGBOT-QZTJIDSGSA-N 2 1 335.492 1.432 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998102602 705341512 /nfs/dbraw/zinc/34/15/12/705341512.db2.gz NQEKBQDDGZGBOT-QZTJIDSGSA-N 2 1 335.492 1.432 20 30 EDEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000998102602 705341515 /nfs/dbraw/zinc/34/15/15/705341515.db2.gz NQEKBQDDGZGBOT-QZTJIDSGSA-N 2 1 335.492 1.432 20 30 EDEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000998102602 705341521 /nfs/dbraw/zinc/34/15/21/705341521.db2.gz NQEKBQDDGZGBOT-QZTJIDSGSA-N 2 1 335.492 1.432 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000998721560 706157015 /nfs/dbraw/zinc/15/70/15/706157015.db2.gz MUGGWWQBXLUAPG-ZWKOTPCHSA-N 2 1 326.444 1.733 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000948706059 707510687 /nfs/dbraw/zinc/51/06/87/707510687.db2.gz STKCFDSWIDEZII-ROUUACIJSA-N 2 1 337.508 1.985 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000948706059 707510691 /nfs/dbraw/zinc/51/06/91/707510691.db2.gz STKCFDSWIDEZII-ROUUACIJSA-N 2 1 337.508 1.985 20 30 EDEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706059 707510695 /nfs/dbraw/zinc/51/06/95/707510695.db2.gz STKCFDSWIDEZII-ROUUACIJSA-N 2 1 337.508 1.985 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706059 707510697 /nfs/dbraw/zinc/51/06/97/707510697.db2.gz STKCFDSWIDEZII-ROUUACIJSA-N 2 1 337.508 1.985 20 30 EDEDMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033391708 707724475 /nfs/dbraw/zinc/72/44/75/707724475.db2.gz WBEWVZXXJBVSIM-OAHLLOKOSA-N 2 1 346.500 1.994 20 30 EDEDMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033391708 707724478 /nfs/dbraw/zinc/72/44/78/707724478.db2.gz WBEWVZXXJBVSIM-OAHLLOKOSA-N 2 1 346.500 1.994 20 30 EDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001773238 708266024 /nfs/dbraw/zinc/26/60/24/708266024.db2.gz OMMYOKNVJJPQKH-QGZVFWFLSA-N 2 1 328.460 1.605 20 30 EDEDMP C#CC[NH+]1CCC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001001837426 708342616 /nfs/dbraw/zinc/34/26/16/708342616.db2.gz ZMEAMIPTBRNIDC-UHFFFAOYSA-N 2 1 330.432 1.345 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664006 708445434 /nfs/dbraw/zinc/44/54/34/708445434.db2.gz BGAMIDDGMRMRCR-WBVHZDCISA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664006 708445435 /nfs/dbraw/zinc/44/54/35/708445435.db2.gz BGAMIDDGMRMRCR-WBVHZDCISA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664006 708445436 /nfs/dbraw/zinc/44/54/36/708445436.db2.gz BGAMIDDGMRMRCR-WBVHZDCISA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664006 708445437 /nfs/dbraw/zinc/44/54/37/708445437.db2.gz BGAMIDDGMRMRCR-WBVHZDCISA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033662955 708479115 /nfs/dbraw/zinc/47/91/15/708479115.db2.gz SZQXWJSOFLLVJK-QZTJIDSGSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033662955 708479119 /nfs/dbraw/zinc/47/91/19/708479119.db2.gz SZQXWJSOFLLVJK-QZTJIDSGSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001033662955 708479122 /nfs/dbraw/zinc/47/91/22/708479122.db2.gz SZQXWJSOFLLVJK-QZTJIDSGSA-N 2 1 326.444 1.543 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033955589 709137538 /nfs/dbraw/zinc/13/75/38/709137538.db2.gz AIESKOVEDSTABA-IRXDYDNUSA-N 2 1 328.460 1.700 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033955589 709137540 /nfs/dbraw/zinc/13/75/40/709137540.db2.gz AIESKOVEDSTABA-IRXDYDNUSA-N 2 1 328.460 1.700 20 30 EDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034240078 709623334 /nfs/dbraw/zinc/62/33/34/709623334.db2.gz GIRSTIDDCWPGST-FUHWJXTLSA-N 2 1 335.492 1.787 20 30 EDEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034240078 709623335 /nfs/dbraw/zinc/62/33/35/709623335.db2.gz GIRSTIDDCWPGST-FUHWJXTLSA-N 2 1 335.492 1.787 20 30 EDEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034240078 709623336 /nfs/dbraw/zinc/62/33/36/709623336.db2.gz GIRSTIDDCWPGST-FUHWJXTLSA-N 2 1 335.492 1.787 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001003056845 709906809 /nfs/dbraw/zinc/90/68/09/709906809.db2.gz UMSLUIYGEKPYHV-ROUUACIJSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001003056845 709906811 /nfs/dbraw/zinc/90/68/11/709906811.db2.gz UMSLUIYGEKPYHV-ROUUACIJSA-N 2 1 333.476 1.234 20 30 EDEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001034525728 710176692 /nfs/dbraw/zinc/17/66/92/710176692.db2.gz PXOBNCYOSDLBKZ-RTBURBONSA-N 2 1 340.471 1.981 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001034525728 710176693 /nfs/dbraw/zinc/17/66/93/710176693.db2.gz PXOBNCYOSDLBKZ-RTBURBONSA-N 2 1 340.471 1.981 20 30 EDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001034525728 710176694 /nfs/dbraw/zinc/17/66/94/710176694.db2.gz PXOBNCYOSDLBKZ-RTBURBONSA-N 2 1 340.471 1.981 20 30 EDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001034525728 710176695 /nfs/dbraw/zinc/17/66/95/710176695.db2.gz PXOBNCYOSDLBKZ-RTBURBONSA-N 2 1 340.471 1.981 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001032837121 710187263 /nfs/dbraw/zinc/18/72/63/710187263.db2.gz BPDUBVNSUIUOAY-SQNIBIBYSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001034538362 710211103 /nfs/dbraw/zinc/21/11/03/710211103.db2.gz MTOAJIDLHGGYCU-WMZOPIPTSA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1 ZINC001034664243 710333728 /nfs/dbraw/zinc/33/37/28/710333728.db2.gz ZSUUKKUCKDCAEQ-ZOBUZTSGSA-N 2 1 346.500 1.758 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1 ZINC001034664243 710333730 /nfs/dbraw/zinc/33/37/30/710333730.db2.gz ZSUUKKUCKDCAEQ-ZOBUZTSGSA-N 2 1 346.500 1.758 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001034715617 710852913 /nfs/dbraw/zinc/85/29/13/710852913.db2.gz SSJZJOSLVGKXMF-JYJNAYRXSA-N 2 1 343.899 1.865 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001034715617 710852917 /nfs/dbraw/zinc/85/29/17/710852917.db2.gz SSJZJOSLVGKXMF-JYJNAYRXSA-N 2 1 343.899 1.865 20 30 EDEDMP C[N@H+]1CC[C@H](CC(=O)NC2CCN(Cc3ccccc3C#N)CC2)C1 ZINC001003972950 711128044 /nfs/dbraw/zinc/12/80/44/711128044.db2.gz CENHEZTZSFKQRN-MRXNPFEDSA-N 2 1 340.471 1.981 20 30 EDEDMP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001003972950 711128050 /nfs/dbraw/zinc/12/80/50/711128050.db2.gz CENHEZTZSFKQRN-MRXNPFEDSA-N 2 1 340.471 1.981 20 30 EDEDMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001003972950 711128055 /nfs/dbraw/zinc/12/80/55/711128055.db2.gz CENHEZTZSFKQRN-MRXNPFEDSA-N 2 1 340.471 1.981 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001034940014 711442997 /nfs/dbraw/zinc/44/29/97/711442997.db2.gz RYJYLAFPVZKQSE-ATZDWAIDSA-N 2 1 340.471 1.979 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001004616692 712076741 /nfs/dbraw/zinc/07/67/41/712076741.db2.gz NCFIGZLZCJPBIB-PKOBYXMFSA-N 2 1 349.519 1.844 20 30 EDEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004618056 712078343 /nfs/dbraw/zinc/07/83/43/712078343.db2.gz AQFHVUZDVCABEW-RTBURBONSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004618056 712078344 /nfs/dbraw/zinc/07/83/44/712078344.db2.gz AQFHVUZDVCABEW-RTBURBONSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004618056 712078346 /nfs/dbraw/zinc/07/83/46/712078346.db2.gz AQFHVUZDVCABEW-RTBURBONSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004618056 712078347 /nfs/dbraw/zinc/07/83/47/712078347.db2.gz AQFHVUZDVCABEW-RTBURBONSA-N 2 1 347.503 1.433 20 30 EDEDMP CN(CC#CCN(C)[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000341883842 282337904 /nfs/dbraw/zinc/33/79/04/282337904.db2.gz ORJQAIBKZZEJAE-WOJBJXKFSA-N 2 1 330.520 1.327 20 30 EDEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000329218310 539419951 /nfs/dbraw/zinc/41/99/51/539419951.db2.gz ADHXWDDCPIXJEE-CVEARBPZSA-N 2 1 339.528 1.246 20 30 EDEDMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000329218310 539419958 /nfs/dbraw/zinc/41/99/58/539419958.db2.gz ADHXWDDCPIXJEE-CVEARBPZSA-N 2 1 339.528 1.246 20 30 EDEDMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000329218310 539419965 /nfs/dbraw/zinc/41/99/65/539419965.db2.gz ADHXWDDCPIXJEE-CVEARBPZSA-N 2 1 339.528 1.246 20 30 EDEDMP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262783835 249323942 /nfs/dbraw/zinc/32/39/42/249323942.db2.gz LRLIQUGPIOWMNF-GJZGRUSLSA-N 2 1 328.460 1.954 20 30 EDEDMP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262783835 249323947 /nfs/dbraw/zinc/32/39/47/249323947.db2.gz LRLIQUGPIOWMNF-GJZGRUSLSA-N 2 1 328.460 1.954 20 30 EDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(C)C ZINC000343172362 250011696 /nfs/dbraw/zinc/01/16/96/250011696.db2.gz SCXSGUIUUZOEEZ-ZWKOTPCHSA-N 2 1 334.508 1.191 20 30 EDEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)N(C)CCC#N ZINC000344134383 250016430 /nfs/dbraw/zinc/01/64/30/250016430.db2.gz RIJFZVTXUKZPEP-KRWDZBQOSA-N 2 1 337.512 1.096 20 30 EDEDMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cn1 ZINC000424185481 252155815 /nfs/dbraw/zinc/15/58/15/252155815.db2.gz ZZLHQBBYDXCKJS-QGZVFWFLSA-N 2 1 346.479 1.349 20 30 EDEDMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cn1 ZINC000424185481 252155820 /nfs/dbraw/zinc/15/58/20/252155820.db2.gz ZZLHQBBYDXCKJS-QGZVFWFLSA-N 2 1 346.479 1.349 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000491677618 255139718 /nfs/dbraw/zinc/13/97/18/255139718.db2.gz QXWCWLBJWMPEBC-KRWDZBQOSA-N 2 1 328.460 1.559 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000491677618 255139720 /nfs/dbraw/zinc/13/97/20/255139720.db2.gz QXWCWLBJWMPEBC-KRWDZBQOSA-N 2 1 328.460 1.559 20 30 EDEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000271890437 140367864 /nfs/dbraw/zinc/36/78/64/140367864.db2.gz RXBWOOOVWXXXPV-FQEVSTJZSA-N 2 1 342.487 1.569 20 30 EDEDMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000357625762 151090213 /nfs/dbraw/zinc/09/02/13/151090213.db2.gz JSHRCAKKSPNWSK-HNNXBMFYSA-N 2 1 344.459 1.664 20 30 EDEDMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000357625762 151090215 /nfs/dbraw/zinc/09/02/15/151090215.db2.gz JSHRCAKKSPNWSK-HNNXBMFYSA-N 2 1 344.459 1.664 20 30 EDEDMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000357995940 151228210 /nfs/dbraw/zinc/22/82/10/151228210.db2.gz PYFGZDQHSFZTCT-HNNXBMFYSA-N 2 1 344.459 1.664 20 30 EDEDMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000357995940 151228213 /nfs/dbraw/zinc/22/82/13/151228213.db2.gz PYFGZDQHSFZTCT-HNNXBMFYSA-N 2 1 344.459 1.664 20 30 EDEDMP C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372329089 156337764 /nfs/dbraw/zinc/33/77/64/156337764.db2.gz AQMRKNCKJVUECD-FXAWDEMLSA-N 2 1 342.487 1.895 20 30 EDEDMP C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372329089 156337768 /nfs/dbraw/zinc/33/77/68/156337768.db2.gz AQMRKNCKJVUECD-FXAWDEMLSA-N 2 1 342.487 1.895 20 30 EDEDMP N#Cc1ccc(C[N@H+]2CCCN(CC[NH+]3CCCOCC3)CC2)cc1 ZINC000429727686 268218369 /nfs/dbraw/zinc/21/83/69/268218369.db2.gz XBHAOZHSCLHTDF-UHFFFAOYSA-N 2 1 342.487 1.788 20 30 EDEDMP N#Cc1ccc(C[NH+]2CCCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000429727686 268218371 /nfs/dbraw/zinc/21/83/71/268218371.db2.gz XBHAOZHSCLHTDF-UHFFFAOYSA-N 2 1 342.487 1.788 20 30 EDEDMP N#Cc1ccc(C[NH+]2CCCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000429727686 268218372 /nfs/dbraw/zinc/21/83/72/268218372.db2.gz XBHAOZHSCLHTDF-UHFFFAOYSA-N 2 1 342.487 1.788 20 30 EDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000114455101 441658826 /nfs/dbraw/zinc/65/88/26/441658826.db2.gz ASYAIJWITLVRGU-UHFFFAOYSA-N 2 1 328.460 1.979 20 30 EDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000114455101 441658829 /nfs/dbraw/zinc/65/88/29/441658829.db2.gz ASYAIJWITLVRGU-UHFFFAOYSA-N 2 1 328.460 1.979 20 30 EDEDMP Cc1[nH+]ccn1CCCN(C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000130909301 442359657 /nfs/dbraw/zinc/35/96/57/442359657.db2.gz JDLREPJJHOROLL-UHFFFAOYSA-N 2 1 346.456 1.859 20 30 EDEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000191489430 443302176 /nfs/dbraw/zinc/30/21/76/443302176.db2.gz OHCGMGXZZYLQAL-SFHVURJKSA-N 2 1 331.464 1.966 20 30 EDEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000191489430 443302177 /nfs/dbraw/zinc/30/21/77/443302177.db2.gz OHCGMGXZZYLQAL-SFHVURJKSA-N 2 1 331.464 1.966 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cc(Br)cn1 ZINC000284978906 443805875 /nfs/dbraw/zinc/80/58/75/443805875.db2.gz GPXRGHAYCQGMSS-LBPRGKRZSA-N 2 1 343.273 1.034 20 30 EDEDMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])N2CCOCC2)[C@@H]1c1ccccc1 ZINC000285210494 443896065 /nfs/dbraw/zinc/89/60/65/443896065.db2.gz WQMPIEBURPVPBY-IRXDYDNUSA-N 2 1 332.448 1.095 20 30 EDEDMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])N2CCOCC2)[C@@H]1c1ccccc1 ZINC000285210494 443896067 /nfs/dbraw/zinc/89/60/67/443896067.db2.gz WQMPIEBURPVPBY-IRXDYDNUSA-N 2 1 332.448 1.095 20 30 EDEDMP C[N@H+]1CCN(CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1(C)C ZINC000281656867 443971769 /nfs/dbraw/zinc/97/17/69/443971769.db2.gz CAXGXRKTRFMVLM-UHFFFAOYSA-N 2 1 329.492 1.928 20 30 EDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000304754917 444252718 /nfs/dbraw/zinc/25/27/18/444252718.db2.gz MILDCGYJJQIPOX-HNNXBMFYSA-N 2 1 339.484 1.386 20 30 EDEDMP Cn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000305839964 444282625 /nfs/dbraw/zinc/28/26/25/444282625.db2.gz YSAFJLLFYUJRQE-SFHVURJKSA-N 2 1 339.443 1.505 20 30 EDEDMP N#Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000325808323 444369421 /nfs/dbraw/zinc/36/94/21/444369421.db2.gz OWSBAAKBNPENLZ-ROUUACIJSA-N 2 1 326.444 1.638 20 30 EDEDMP CNC(=O)CN1CCC(NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000329772249 444711262 /nfs/dbraw/zinc/71/12/62/444711262.db2.gz KKNGIFNFGYRAGJ-SWLSCSKDSA-N 2 1 337.468 1.023 20 30 EDEDMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000329772249 444711264 /nfs/dbraw/zinc/71/12/64/444711264.db2.gz KKNGIFNFGYRAGJ-SWLSCSKDSA-N 2 1 337.468 1.023 20 30 EDEDMP C[C@H]1C[N@H+](CCOc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362701029 445507631 /nfs/dbraw/zinc/50/76/31/445507631.db2.gz DYXHRVCULTXBLF-HKUYNNGSSA-N 2 1 342.487 1.895 20 30 EDEDMP C[C@H]1C[N@@H+](CCOc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362701029 445507635 /nfs/dbraw/zinc/50/76/35/445507635.db2.gz DYXHRVCULTXBLF-HKUYNNGSSA-N 2 1 342.487 1.895 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NCC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000363647313 445862585 /nfs/dbraw/zinc/86/25/85/445862585.db2.gz UPBVAHDNQSKYBI-UHFFFAOYSA-N 2 1 333.476 1.093 20 30 EDEDMP C(#CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1)C[NH+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000367465145 446551137 /nfs/dbraw/zinc/55/11/37/446551137.db2.gz YIERZEKWYSGNSR-WTGUMLROSA-N 2 1 332.488 1.992 20 30 EDEDMP C(#CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)C[NH+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000367465145 446551140 /nfs/dbraw/zinc/55/11/40/446551140.db2.gz YIERZEKWYSGNSR-WTGUMLROSA-N 2 1 332.488 1.992 20 30 EDEDMP C(#CC[N@H+]1CC[C@H]2OCCC[C@@H]2C1)C[NH+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000367465145 446551142 /nfs/dbraw/zinc/55/11/42/446551142.db2.gz YIERZEKWYSGNSR-WTGUMLROSA-N 2 1 332.488 1.992 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433334397 446556601 /nfs/dbraw/zinc/55/66/01/446556601.db2.gz HKWQSFPMFZETNN-MRXNPFEDSA-N 2 1 338.496 1.437 20 30 EDEDMP C=CCCn1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)nn1 ZINC000424638176 446914861 /nfs/dbraw/zinc/91/48/61/446914861.db2.gz KSNHLDFTXSGKSV-MRXNPFEDSA-N 2 1 348.495 1.342 20 30 EDEDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C#N)n(C)c3)CC2)CC1 ZINC000421366066 447143571 /nfs/dbraw/zinc/14/35/71/447143571.db2.gz CGCMZVIEMTXUDZ-UHFFFAOYSA-N 2 1 329.492 1.889 20 30 EDEDMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000377492866 447162494 /nfs/dbraw/zinc/16/24/94/447162494.db2.gz XLUWKQOUIFZJFX-HOTGVXAUSA-N 2 1 329.448 1.884 20 30 EDEDMP CC(C)[C@]1(CO)CC[NH+](CC#CC[N@@H+]2CC[C@@](CO)(C(C)C)C2)C1 ZINC000377648281 447269849 /nfs/dbraw/zinc/26/98/49/447269849.db2.gz GHQDNDXUQBDDIM-WOJBJXKFSA-N 2 1 336.520 1.671 20 30 EDEDMP C=CCCCS(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000489244265 447853682 /nfs/dbraw/zinc/85/36/82/447853682.db2.gz ZJIRHZQGRBXMOB-MRXNPFEDSA-N 2 1 331.526 1.630 20 30 EDEDMP C=CCCCS(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000489244265 447853684 /nfs/dbraw/zinc/85/36/84/447853684.db2.gz ZJIRHZQGRBXMOB-MRXNPFEDSA-N 2 1 331.526 1.630 20 30 EDEDMP C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1=CC[N@H+](C)CC1 ZINC000514932423 448226877 /nfs/dbraw/zinc/22/68/77/448226877.db2.gz FEFFIISNWDHBSY-AWEZNQCLSA-N 2 1 333.457 1.572 20 30 EDEDMP C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1=CC[N@@H+](C)CC1 ZINC000514932423 448226887 /nfs/dbraw/zinc/22/68/87/448226887.db2.gz FEFFIISNWDHBSY-AWEZNQCLSA-N 2 1 333.457 1.572 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000567679114 448735197 /nfs/dbraw/zinc/73/51/97/448735197.db2.gz LFTLIJWUBHNLTB-GOSISDBHSA-N 2 1 329.444 1.732 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000567679115 448735221 /nfs/dbraw/zinc/73/52/21/448735221.db2.gz LFTLIJWUBHNLTB-SFHVURJKSA-N 2 1 329.444 1.732 20 30 EDEDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000595904598 449245073 /nfs/dbraw/zinc/24/50/73/449245073.db2.gz IFQWLUMUHFMZFC-IEBWSBKVSA-N 2 1 347.459 1.341 20 30 EDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCO1 ZINC000595904598 449245079 /nfs/dbraw/zinc/24/50/79/449245079.db2.gz IFQWLUMUHFMZFC-IEBWSBKVSA-N 2 1 347.459 1.341 20 30 EDEDMP N#CCCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000594439450 449518451 /nfs/dbraw/zinc/51/84/51/449518451.db2.gz QOUKJXMCDWMKJC-SFHVURJKSA-N 2 1 343.475 1.336 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000596701026 449613838 /nfs/dbraw/zinc/61/38/38/449613838.db2.gz SYDGAFUBOAACNS-INIZCTEOSA-N 2 1 345.491 1.972 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000596701026 449613845 /nfs/dbraw/zinc/61/38/45/449613845.db2.gz SYDGAFUBOAACNS-INIZCTEOSA-N 2 1 345.491 1.972 20 30 EDEDMP N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000610091425 450138002 /nfs/dbraw/zinc/13/80/02/450138002.db2.gz VTBDETZKFFHUDO-OALUTQOASA-N 2 1 343.471 1.910 20 30 EDEDMP N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000610091425 450138008 /nfs/dbraw/zinc/13/80/08/450138008.db2.gz VTBDETZKFFHUDO-OALUTQOASA-N 2 1 343.471 1.910 20 30 EDEDMP C=CCNC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327392 453045518 /nfs/dbraw/zinc/04/55/18/453045518.db2.gz HYIYVYRNRHOYFC-UHFFFAOYSA-N 2 1 331.464 1.358 20 30 EDEDMP C=CCNC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327392 453045527 /nfs/dbraw/zinc/04/55/27/453045527.db2.gz HYIYVYRNRHOYFC-UHFFFAOYSA-N 2 1 331.464 1.358 20 30 EDEDMP CCN(CC)C(=[NH2+])NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000104169447 527980935 /nfs/dbraw/zinc/98/09/35/527980935.db2.gz GHEHBAAQMSYFQI-UHFFFAOYSA-N 2 1 331.508 1.851 20 30 EDEDMP Cc1nn(-c2cc[nH+]cc2)cc1C=NNCCC[NH+]1CCOCC1 ZINC000799489605 581029350 /nfs/dbraw/zinc/02/93/50/581029350.db2.gz XLCRRIWDQCBPGP-UHFFFAOYSA-N 2 1 328.420 1.222 20 30 EDEDMP CCN(CCNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccc(C)c1 ZINC000104155733 590800608 /nfs/dbraw/zinc/80/06/08/590800608.db2.gz IPVIMJGRBNIHMZ-UHFFFAOYSA-N 2 1 347.507 1.448 20 30 EDEDMP C=CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c1 ZINC000903979173 592400579 /nfs/dbraw/zinc/40/05/79/592400579.db2.gz XNWAZFVYRIJRKU-FCEWJHQRSA-N 2 1 330.428 1.964 20 30 EDEDMP CC(C)(C)[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000912508506 593101358 /nfs/dbraw/zinc/10/13/58/593101358.db2.gz PMUQBPCXRRSROE-HRCADAONSA-N 2 1 338.496 1.362 20 30 EDEDMP COCC[N@H+]1CCC[C@@H]1CNC(NC[C@H]1CCCO1)=[NH+]C(C)(C)C ZINC000912508975 593101523 /nfs/dbraw/zinc/10/15/23/593101523.db2.gz UGKURBJWXGJHRV-HZPDHXFCSA-N 2 1 340.512 1.610 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849522107 595558315 /nfs/dbraw/zinc/55/83/15/595558315.db2.gz JJIROEXYIIKPLW-MSOLQXFVSA-N 2 1 345.491 1.222 20 30 EDEDMP C=CC[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CCC[NH2+]1 ZINC000852858416 595580171 /nfs/dbraw/zinc/58/01/71/595580171.db2.gz BVAJNHZDTSQAHC-GOSISDBHSA-N 2 1 325.416 1.890 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(C#N)cn1 ZINC000854010592 595951777 /nfs/dbraw/zinc/95/17/77/595951777.db2.gz RDWISMMZEHUJRK-AWEZNQCLSA-N 2 1 332.452 1.024 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(C#N)cn1 ZINC000854010592 595951780 /nfs/dbraw/zinc/95/17/80/595951780.db2.gz RDWISMMZEHUJRK-AWEZNQCLSA-N 2 1 332.452 1.024 20 30 EDEDMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876728824 597310168 /nfs/dbraw/zinc/31/01/68/597310168.db2.gz WZJVOPYQCOKNSC-CRAIPNDOSA-N 2 1 326.444 1.545 20 30 EDEDMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876777267 597336046 /nfs/dbraw/zinc/33/60/46/597336046.db2.gz OSUKWIWVLSGFSR-VQIMIIECSA-N 2 1 340.471 1.935 20 30 EDEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128029497 597730144 /nfs/dbraw/zinc/73/01/44/597730144.db2.gz IKJYFECXKBTFQZ-AEFFLSMTSA-N 2 1 343.471 1.937 20 30 EDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC[N@H+]1CCc3ccccc3C1)C2 ZINC000884189162 598020387 /nfs/dbraw/zinc/02/03/87/598020387.db2.gz XOOFZVDXIXXKFV-QPIRBTGLSA-N 2 1 338.455 1.300 20 30 EDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC[N@@H+]1CCc3sccc3C1)C2 ZINC000884200185 598026200 /nfs/dbraw/zinc/02/62/00/598026200.db2.gz WAEJRNBBNZOPHW-CSLYMUCUSA-N 2 1 344.484 1.362 20 30 EDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC[N@H+]1CCc3sccc3C1)C2 ZINC000884200185 598026203 /nfs/dbraw/zinc/02/62/03/598026203.db2.gz WAEJRNBBNZOPHW-CSLYMUCUSA-N 2 1 344.484 1.362 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993371140 696022021 /nfs/dbraw/zinc/02/20/21/696022021.db2.gz YPJUBPCKZNBFTN-HOTGVXAUSA-N 2 1 331.464 1.051 20 30 EDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000941027420 701067485 /nfs/dbraw/zinc/06/74/85/701067485.db2.gz FCBZIRMCTFZDNL-KRWDZBQOSA-N 2 1 344.459 1.734 20 30 EDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000941027420 701067488 /nfs/dbraw/zinc/06/74/88/701067488.db2.gz FCBZIRMCTFZDNL-KRWDZBQOSA-N 2 1 344.459 1.734 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001031978242 701994324 /nfs/dbraw/zinc/99/43/24/701994324.db2.gz QVSUUKOYKAZLPX-KDOFPFPSSA-N 2 1 326.444 1.304 20 30 EDEDMP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996611006 702915982 /nfs/dbraw/zinc/91/59/82/702915982.db2.gz LZBHOISUNOQYGC-QWHCGFSZSA-N 2 1 344.297 1.673 20 30 EDEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997271263 703533785 /nfs/dbraw/zinc/53/37/85/703533785.db2.gz IBJIEDZYSZIRAN-AEFFLSMTSA-N 2 1 335.492 1.336 20 30 EDEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997271263 703533786 /nfs/dbraw/zinc/53/37/86/703533786.db2.gz IBJIEDZYSZIRAN-AEFFLSMTSA-N 2 1 335.492 1.336 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000997308212 703566269 /nfs/dbraw/zinc/56/62/69/703566269.db2.gz CQAKVNZNYPEAIO-UHFFFAOYSA-N 2 1 337.427 1.844 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1 ZINC000995553827 703966110 /nfs/dbraw/zinc/96/61/10/703966110.db2.gz UGJGHKGCZSMGIS-ZWKOTPCHSA-N 2 1 340.471 1.979 20 30 EDEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001004381384 704347321 /nfs/dbraw/zinc/34/73/21/704347321.db2.gz RZDXLDWRAKJPDZ-ZWKOTPCHSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001004381384 704347324 /nfs/dbraw/zinc/34/73/24/704347324.db2.gz RZDXLDWRAKJPDZ-ZWKOTPCHSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004381384 704347325 /nfs/dbraw/zinc/34/73/25/704347325.db2.gz RZDXLDWRAKJPDZ-ZWKOTPCHSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004381384 704347328 /nfs/dbraw/zinc/34/73/28/704347328.db2.gz RZDXLDWRAKJPDZ-ZWKOTPCHSA-N 2 1 333.476 1.043 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001040455130 704653892 /nfs/dbraw/zinc/65/38/92/704653892.db2.gz ZRMDKUJXRLGELM-IBGZPJMESA-N 2 1 335.492 1.599 20 30 EDEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001040455130 704653893 /nfs/dbraw/zinc/65/38/93/704653893.db2.gz ZRMDKUJXRLGELM-IBGZPJMESA-N 2 1 335.492 1.599 20 30 EDEDMP CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998192628 705496322 /nfs/dbraw/zinc/49/63/22/705496322.db2.gz WQEOUFODHRHWMO-QZTJIDSGSA-N 2 1 335.492 1.433 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998192628 705496323 /nfs/dbraw/zinc/49/63/23/705496323.db2.gz WQEOUFODHRHWMO-QZTJIDSGSA-N 2 1 335.492 1.433 20 30 EDEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000998192628 705496327 /nfs/dbraw/zinc/49/63/27/705496327.db2.gz WQEOUFODHRHWMO-QZTJIDSGSA-N 2 1 335.492 1.433 20 30 EDEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998192628 705496329 /nfs/dbraw/zinc/49/63/29/705496329.db2.gz WQEOUFODHRHWMO-QZTJIDSGSA-N 2 1 335.492 1.433 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000998718524 706150275 /nfs/dbraw/zinc/15/02/75/706150275.db2.gz CDJJPAXAPBQWPB-ZWKOTPCHSA-N 2 1 326.444 1.733 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000999393153 706887325 /nfs/dbraw/zinc/88/73/25/706887325.db2.gz WPXCEOGZPDFMCP-HOCLYGCPSA-N 2 1 332.473 1.321 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000999393153 706887326 /nfs/dbraw/zinc/88/73/26/706887326.db2.gz WPXCEOGZPDFMCP-HOCLYGCPSA-N 2 1 332.473 1.321 20 30 EDEDMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000999409832 706919793 /nfs/dbraw/zinc/91/97/93/706919793.db2.gz TZKCPIPFQRTMLO-MNNVXMFVSA-N 2 1 340.471 1.979 20 30 EDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033254306 707241639 /nfs/dbraw/zinc/24/16/39/707241639.db2.gz BJSWFXFWLUVNFQ-MRXNPFEDSA-N 2 1 325.416 1.990 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033664083 708445267 /nfs/dbraw/zinc/44/52/67/708445267.db2.gz BYXIIXIOSJERLT-DLBZAZTESA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033664083 708445270 /nfs/dbraw/zinc/44/52/70/708445270.db2.gz BYXIIXIOSJERLT-DLBZAZTESA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033664083 708445273 /nfs/dbraw/zinc/44/52/73/708445273.db2.gz BYXIIXIOSJERLT-DLBZAZTESA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC001033664083 708445275 /nfs/dbraw/zinc/44/52/75/708445275.db2.gz BYXIIXIOSJERLT-DLBZAZTESA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033666824 708452964 /nfs/dbraw/zinc/45/29/64/708452964.db2.gz ZWWZHBVNBDGQLA-SFHVURJKSA-N 2 1 326.444 1.687 20 30 EDEDMP C=CC[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001005408403 708915873 /nfs/dbraw/zinc/91/58/73/708915873.db2.gz YOUKNRBMYDDJMF-KRWDZBQOSA-N 2 1 331.464 1.899 20 30 EDEDMP C=CC[NH+]1CCC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001005408403 708915876 /nfs/dbraw/zinc/91/58/76/708915876.db2.gz YOUKNRBMYDDJMF-KRWDZBQOSA-N 2 1 331.464 1.899 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ncccc2C)CC1 ZINC001003055419 709904477 /nfs/dbraw/zinc/90/44/77/709904477.db2.gz HLUGMXDFZXBMCH-IBGZPJMESA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ncccc2C)CC1 ZINC001003055419 709904480 /nfs/dbraw/zinc/90/44/80/709904480.db2.gz HLUGMXDFZXBMCH-IBGZPJMESA-N 2 1 340.471 1.568 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034435918 710009747 /nfs/dbraw/zinc/00/97/47/710009747.db2.gz MVQIHSWSNXSGRQ-KRWDZBQOSA-N 2 1 331.464 1.052 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033161199 712263401 /nfs/dbraw/zinc/26/34/01/712263401.db2.gz KKTGKKGRPNROFY-ROUUACIJSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001033161199 712263403 /nfs/dbraw/zinc/26/34/03/712263403.db2.gz KKTGKKGRPNROFY-ROUUACIJSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033161199 712263406 /nfs/dbraw/zinc/26/34/06/712263406.db2.gz KKTGKKGRPNROFY-ROUUACIJSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033161199 712263408 /nfs/dbraw/zinc/26/34/08/712263408.db2.gz KKTGKKGRPNROFY-ROUUACIJSA-N 2 1 333.476 1.043 20 30 EDEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000329484521 539438737 /nfs/dbraw/zinc/43/87/37/539438737.db2.gz QMUZCQQPSRIMRW-OAHLLOKOSA-N 2 1 325.501 1.000 20 30 EDEDMP C[NH+]1CCN(C(=O)c2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)CC1 ZINC000264081699 249332570 /nfs/dbraw/zinc/33/25/70/249332570.db2.gz ISIWBAGUOZTOJN-UHFFFAOYSA-N 2 1 331.464 1.277 20 30 EDEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])NCC(C)C)CC1 ZINC000264099033 249336110 /nfs/dbraw/zinc/33/61/10/249336110.db2.gz NPPKNIQVUDYADC-UHFFFAOYSA-N 2 1 331.508 1.884 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NCc2[nH+]c(C)n3c2CCCC3)CC1 ZINC000369738273 250203755 /nfs/dbraw/zinc/20/37/55/250203755.db2.gz KNCFWGNSZUELDC-UHFFFAOYSA-N 2 1 331.464 1.977 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000418405382 251365122 /nfs/dbraw/zinc/36/51/22/251365122.db2.gz RAYBOGFLFMNAQS-SFHVURJKSA-N 2 1 341.459 1.513 20 30 EDEDMP N#Cc1ncn(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000367520756 154158710 /nfs/dbraw/zinc/15/87/10/154158710.db2.gz YPDGBIDJCFHKBV-FGTMMUONSA-N 2 1 336.443 1.650 20 30 EDEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000528516588 267339678 /nfs/dbraw/zinc/33/96/78/267339678.db2.gz KUTWIMLCWNWWOE-IEBWSBKVSA-N 2 1 329.444 1.716 20 30 EDEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000528516588 267339679 /nfs/dbraw/zinc/33/96/79/267339679.db2.gz KUTWIMLCWNWWOE-IEBWSBKVSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000528516588 267339681 /nfs/dbraw/zinc/33/96/81/267339681.db2.gz KUTWIMLCWNWWOE-IEBWSBKVSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000528516588 267339683 /nfs/dbraw/zinc/33/96/83/267339683.db2.gz KUTWIMLCWNWWOE-IEBWSBKVSA-N 2 1 329.444 1.716 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378431807 447427416 /nfs/dbraw/zinc/42/74/16/447427416.db2.gz OUHIXTSCTMBQEH-RBUKOAKNSA-N 2 1 348.535 1.535 20 30 EDEDMP C[NH+]=C(NCc1nccn1C(F)F)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158407187 441734771 /nfs/dbraw/zinc/73/47/71/441734771.db2.gz JPKKJGOGFSGKRH-RYUDHWBXSA-N 2 1 328.411 1.672 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCc1ccc(OC)cc1 ZINC000092854074 441834909 /nfs/dbraw/zinc/83/49/09/441834909.db2.gz NSMFRBXTVUCCIK-INIZCTEOSA-N 2 1 334.464 1.600 20 30 EDEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])NCc2ccccc2OC)CC1 ZINC000170906972 442286780 /nfs/dbraw/zinc/28/67/80/442286780.db2.gz LYUNUZVKKIVXNK-INIZCTEOSA-N 2 1 347.507 1.373 20 30 EDEDMP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(C#N)cc1 ZINC000133781249 442433894 /nfs/dbraw/zinc/43/38/94/442433894.db2.gz PMDTVBVATMVXPA-OAHLLOKOSA-N 2 1 336.443 1.951 20 30 EDEDMP C[NH+]1CCN(c2ncccc2CNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000179864184 442513713 /nfs/dbraw/zinc/51/37/13/442513713.db2.gz IQCZNEKNSDWFKJ-UHFFFAOYSA-N 2 1 344.507 1.961 20 30 EDEDMP CCO[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000194581259 442917616 /nfs/dbraw/zinc/91/76/16/442917616.db2.gz UYVSUIKTAJSIHS-QGZVFWFLSA-N 2 1 334.464 1.391 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000190542439 443132636 /nfs/dbraw/zinc/13/26/36/443132636.db2.gz WZHZXYOYQQMCIS-ROUUACIJSA-N 2 1 346.475 1.391 20 30 EDEDMP CCOCCCNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190537130 443130717 /nfs/dbraw/zinc/13/07/17/443130717.db2.gz IUWRKWSVSKXHOB-GOSISDBHSA-N 2 1 348.491 1.608 20 30 EDEDMP C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262005246 443179344 /nfs/dbraw/zinc/17/93/44/443179344.db2.gz VLKKWEFKLPZRCH-XFQXTVEOSA-N 2 1 344.503 1.714 20 30 EDEDMP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000264311794 443260059 /nfs/dbraw/zinc/26/00/59/443260059.db2.gz VDBIGEPMYQIXID-KRWDZBQOSA-N 2 1 345.491 1.973 20 30 EDEDMP Cc1cnc([C@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)s1 ZINC000273526020 443578214 /nfs/dbraw/zinc/57/82/14/443578214.db2.gz UERLZNSJVJAIMR-GFCCVEGCSA-N 2 1 325.482 1.182 20 30 EDEDMP C[N@H+]1CCC[C@H](CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000567694176 321253536 /nfs/dbraw/zinc/25/35/36/321253536.db2.gz KHJRVDRVDAVTHA-CQSZACIVSA-N 2 1 336.461 1.048 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCNC(=O)OC(C)(C)C ZINC000305805216 444281283 /nfs/dbraw/zinc/28/12/83/444281283.db2.gz GCLGOHDPELTBML-AWEZNQCLSA-N 2 1 341.500 1.680 20 30 EDEDMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329704243 444686276 /nfs/dbraw/zinc/68/62/76/444686276.db2.gz IRLDRIXIPHMHBN-KBPBESRZSA-N 2 1 347.463 1.366 20 30 EDEDMP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329704243 444686280 /nfs/dbraw/zinc/68/62/80/444686280.db2.gz IRLDRIXIPHMHBN-KBPBESRZSA-N 2 1 347.463 1.366 20 30 EDEDMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329704243 444686284 /nfs/dbraw/zinc/68/62/84/444686284.db2.gz IRLDRIXIPHMHBN-KBPBESRZSA-N 2 1 347.463 1.366 20 30 EDEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000347222822 445234474 /nfs/dbraw/zinc/23/44/74/445234474.db2.gz UHTSLKLQHFNEIE-GOSISDBHSA-N 2 1 343.471 1.895 20 30 EDEDMP C[C@](C#N)(NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000377479077 447151656 /nfs/dbraw/zinc/15/16/56/447151656.db2.gz URRNZPMAFNLNES-LJQANCHMSA-N 2 1 348.491 1.229 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496551202 447817215 /nfs/dbraw/zinc/81/72/15/447817215.db2.gz NWZXDPKWKIBPNL-OAHLLOKOSA-N 2 1 327.469 1.454 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1CC ZINC000491782241 448121263 /nfs/dbraw/zinc/12/12/63/448121263.db2.gz IADZEFYTGDMCLG-MRXNPFEDSA-N 2 1 331.464 1.575 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1CC ZINC000491782241 448121269 /nfs/dbraw/zinc/12/12/69/448121269.db2.gz IADZEFYTGDMCLG-MRXNPFEDSA-N 2 1 331.464 1.575 20 30 EDEDMP N#CC1(CCC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)CCOCC1 ZINC000582125558 449017844 /nfs/dbraw/zinc/01/78/44/449017844.db2.gz WTZZYPVJRVECET-UHFFFAOYSA-N 2 1 335.492 1.913 20 30 EDEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCCO1 ZINC000600736346 449525860 /nfs/dbraw/zinc/52/58/60/449525860.db2.gz XUYYHCAPVJVVLB-IAGOWNOFSA-N 2 1 339.480 1.148 20 30 EDEDMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000600746815 449531225 /nfs/dbraw/zinc/53/12/25/449531225.db2.gz XOXBGXHVRYCAOC-QYZOEREBSA-N 2 1 343.471 1.514 20 30 EDEDMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000600746815 449531228 /nfs/dbraw/zinc/53/12/28/449531228.db2.gz XOXBGXHVRYCAOC-QYZOEREBSA-N 2 1 343.471 1.514 20 30 EDEDMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609284201 449997808 /nfs/dbraw/zinc/99/78/08/449997808.db2.gz KFBLOPRHJXBUIF-GOSISDBHSA-N 2 1 331.460 1.908 20 30 EDEDMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000609284201 449997814 /nfs/dbraw/zinc/99/78/14/449997814.db2.gz KFBLOPRHJXBUIF-GOSISDBHSA-N 2 1 331.460 1.908 20 30 EDEDMP N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000610091427 450138158 /nfs/dbraw/zinc/13/81/58/450138158.db2.gz VTBDETZKFFHUDO-RTBURBONSA-N 2 1 343.471 1.910 20 30 EDEDMP N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000610091427 450138163 /nfs/dbraw/zinc/13/81/63/450138163.db2.gz VTBDETZKFFHUDO-RTBURBONSA-N 2 1 343.471 1.910 20 30 EDEDMP N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000610091426 450138555 /nfs/dbraw/zinc/13/85/55/450138555.db2.gz VTBDETZKFFHUDO-RBUKOAKNSA-N 2 1 343.471 1.910 20 30 EDEDMP N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000610091426 450138564 /nfs/dbraw/zinc/13/85/64/450138564.db2.gz VTBDETZKFFHUDO-RBUKOAKNSA-N 2 1 343.471 1.910 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000730270544 578638008 /nfs/dbraw/zinc/63/80/08/578638008.db2.gz FQDUHCNQLUXPSU-GFWYJJLOSA-N 2 1 337.467 1.942 20 30 EDEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H]2CNc3c(C#N)cnn3C2)cn1 ZINC000731151107 578668692 /nfs/dbraw/zinc/66/86/92/578668692.db2.gz KSQXRPOPSUZKLX-HNNXBMFYSA-N 2 1 348.414 1.475 20 30 EDEDMP C[NH+](C)CCCNC(=S)N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000731930729 578684473 /nfs/dbraw/zinc/68/44/73/578684473.db2.gz JJWJOTMKAJZYKP-UHFFFAOYSA-N 2 1 349.504 1.273 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000900593022 592062738 /nfs/dbraw/zinc/06/27/38/592062738.db2.gz ULVWCPYHWQIEJC-SFHVURJKSA-N 2 1 331.460 1.372 20 30 EDEDMP C#CC[NH+]1CCC(Nc2ncnc3c2cnn3-c2cc[nH+]cc2)CC1 ZINC000905012125 592367554 /nfs/dbraw/zinc/36/75/54/592367554.db2.gz CCNIZRBJPJOZMT-UHFFFAOYSA-N 2 1 333.399 1.720 20 30 EDEDMP C#CCN1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000905460852 592541440 /nfs/dbraw/zinc/54/14/40/592541440.db2.gz OBCVYYGXBWSOMH-VQTJNVASSA-N 2 1 327.472 1.311 20 30 EDEDMP Cc1nnc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c(C#N)c1C ZINC000905703570 592616277 /nfs/dbraw/zinc/61/62/77/592616277.db2.gz MLTKVPGTKJEMEX-IYBDPMFKSA-N 2 1 326.448 1.370 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000844925485 595415195 /nfs/dbraw/zinc/41/51/95/595415195.db2.gz QIUKPQIJARQGKA-FQEVSTJZSA-N 2 1 339.483 1.717 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000844925485 595415197 /nfs/dbraw/zinc/41/51/97/595415197.db2.gz QIUKPQIJARQGKA-FQEVSTJZSA-N 2 1 339.483 1.717 20 30 EDEDMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000867947085 596629208 /nfs/dbraw/zinc/62/92/08/596629208.db2.gz YPWUMXWARMCYQA-SKDZVZGDSA-N 2 1 326.444 1.686 20 30 EDEDMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876728826 597309892 /nfs/dbraw/zinc/30/98/92/597309892.db2.gz WZJVOPYQCOKNSC-QAPCUYQASA-N 2 1 326.444 1.545 20 30 EDEDMP CC[N@@H+]1CCc2nc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)sc2C1 ZINC000884176785 598015472 /nfs/dbraw/zinc/01/54/72/598015472.db2.gz PTGJCCJHBJEHLY-VMBJYNEYSA-N 2 1 345.472 1.599 20 30 EDEDMP CC[N@H+]1CCc2nc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)sc2C1 ZINC000884176785 598015475 /nfs/dbraw/zinc/01/54/75/598015475.db2.gz PTGJCCJHBJEHLY-VMBJYNEYSA-N 2 1 345.472 1.599 20 30 EDEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941566707 701585381 /nfs/dbraw/zinc/58/53/81/701585381.db2.gz KMGVYOOQVZEAQU-KRWDZBQOSA-N 2 1 334.508 1.123 20 30 EDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973834 701015908 /nfs/dbraw/zinc/01/59/08/701015908.db2.gz XNQOAATVNVSAHX-IRXDYDNUSA-N 2 1 337.508 1.888 20 30 EDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973834 701015909 /nfs/dbraw/zinc/01/59/09/701015909.db2.gz XNQOAATVNVSAHX-IRXDYDNUSA-N 2 1 337.508 1.888 20 30 EDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973834 701015911 /nfs/dbraw/zinc/01/59/11/701015911.db2.gz XNQOAATVNVSAHX-IRXDYDNUSA-N 2 1 337.508 1.888 20 30 EDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973834 701015913 /nfs/dbraw/zinc/01/59/13/701015913.db2.gz XNQOAATVNVSAHX-IRXDYDNUSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)CN1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431947 701538306 /nfs/dbraw/zinc/53/83/06/701538306.db2.gz XJXFDALXWZKNFL-GOSISDBHSA-N 2 1 334.508 1.265 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000941431947 701538307 /nfs/dbraw/zinc/53/83/07/701538307.db2.gz XJXFDALXWZKNFL-GOSISDBHSA-N 2 1 334.508 1.265 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431947 701538308 /nfs/dbraw/zinc/53/83/08/701538308.db2.gz XJXFDALXWZKNFL-GOSISDBHSA-N 2 1 334.508 1.265 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(Cc2ccc(C#N)s2)C1 ZINC001031978034 701984181 /nfs/dbraw/zinc/98/41/81/701984181.db2.gz MRTKVVXDURMLRW-LRDDRELGSA-N 2 1 332.473 1.365 20 30 EDEDMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031978034 701984185 /nfs/dbraw/zinc/98/41/85/701984185.db2.gz MRTKVVXDURMLRW-LRDDRELGSA-N 2 1 332.473 1.365 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031978034 701984186 /nfs/dbraw/zinc/98/41/86/701984186.db2.gz MRTKVVXDURMLRW-LRDDRELGSA-N 2 1 332.473 1.365 20 30 EDEDMP C=CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000995266804 703183758 /nfs/dbraw/zinc/18/37/58/703183758.db2.gz IXQLBCDZYOFOBJ-MOPGFXCFSA-N 2 1 342.487 1.870 20 30 EDEDMP C=CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000995266804 703183760 /nfs/dbraw/zinc/18/37/60/703183760.db2.gz IXQLBCDZYOFOBJ-MOPGFXCFSA-N 2 1 342.487 1.870 20 30 EDEDMP C=CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000995266804 703183761 /nfs/dbraw/zinc/18/37/61/703183761.db2.gz IXQLBCDZYOFOBJ-MOPGFXCFSA-N 2 1 342.487 1.870 20 30 EDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942839359 703352972 /nfs/dbraw/zinc/35/29/72/703352972.db2.gz SHXNYMIVYSLLHO-ZBFHGGJFSA-N 2 1 330.432 1.344 20 30 EDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942839359 703352974 /nfs/dbraw/zinc/35/29/74/703352974.db2.gz SHXNYMIVYSLLHO-ZBFHGGJFSA-N 2 1 330.432 1.344 20 30 EDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000997186453 703475646 /nfs/dbraw/zinc/47/56/46/703475646.db2.gz KRNIWHOMEFFXLW-CQSZACIVSA-N 2 1 332.448 1.590 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000997308747 703566451 /nfs/dbraw/zinc/56/64/51/703566451.db2.gz HMITYPMEIPGBEI-UHFFFAOYSA-N 2 1 343.456 1.906 20 30 EDEDMP C#CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998191072 705499389 /nfs/dbraw/zinc/49/93/89/705499389.db2.gz SALVULLAGYSQTF-MSOLQXFVSA-N 2 1 335.492 1.433 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998191072 705499392 /nfs/dbraw/zinc/49/93/92/705499392.db2.gz SALVULLAGYSQTF-MSOLQXFVSA-N 2 1 335.492 1.433 20 30 EDEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000998191072 705499394 /nfs/dbraw/zinc/49/93/94/705499394.db2.gz SALVULLAGYSQTF-MSOLQXFVSA-N 2 1 335.492 1.433 20 30 EDEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998191072 705499395 /nfs/dbraw/zinc/49/93/95/705499395.db2.gz SALVULLAGYSQTF-MSOLQXFVSA-N 2 1 335.492 1.433 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncccc2C)C1 ZINC000998923906 706352280 /nfs/dbraw/zinc/35/22/80/706352280.db2.gz YPCVONXJFSIKES-TVPLGVNVSA-N 2 1 340.471 1.567 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncccc2C)C1 ZINC000998923906 706352282 /nfs/dbraw/zinc/35/22/82/706352282.db2.gz YPCVONXJFSIKES-TVPLGVNVSA-N 2 1 340.471 1.567 20 30 EDEDMP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999988416 707662419 /nfs/dbraw/zinc/66/24/19/707662419.db2.gz UWAGEYFLSOONFS-DJIMGWMZSA-N 2 1 346.479 1.057 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999988416 707662422 /nfs/dbraw/zinc/66/24/22/707662422.db2.gz UWAGEYFLSOONFS-DJIMGWMZSA-N 2 1 346.479 1.057 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999988416 707662425 /nfs/dbraw/zinc/66/24/25/707662425.db2.gz UWAGEYFLSOONFS-DJIMGWMZSA-N 2 1 346.479 1.057 20 30 EDEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999997834 707679711 /nfs/dbraw/zinc/67/97/11/707679711.db2.gz JJERTAPAGFENFO-HUUCEWRRSA-N 2 1 329.872 1.429 20 30 EDEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999997834 707679713 /nfs/dbraw/zinc/67/97/13/707679713.db2.gz JJERTAPAGFENFO-HUUCEWRRSA-N 2 1 329.872 1.429 20 30 EDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)CC[C@@H]2C1 ZINC000946536631 707895655 /nfs/dbraw/zinc/89/56/55/707895655.db2.gz RNHXMNNGWADQHG-KSZLIROESA-N 2 1 335.492 1.454 20 30 EDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536631 707895658 /nfs/dbraw/zinc/89/56/58/707895658.db2.gz RNHXMNNGWADQHG-KSZLIROESA-N 2 1 335.492 1.454 20 30 EDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536631 707895667 /nfs/dbraw/zinc/89/56/67/707895667.db2.gz RNHXMNNGWADQHG-KSZLIROESA-N 2 1 335.492 1.454 20 30 EDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536631 707895670 /nfs/dbraw/zinc/89/56/70/707895670.db2.gz RNHXMNNGWADQHG-KSZLIROESA-N 2 1 335.492 1.454 20 30 EDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536631 707895672 /nfs/dbraw/zinc/89/56/72/707895672.db2.gz RNHXMNNGWADQHG-KSZLIROESA-N 2 1 335.492 1.454 20 30 EDEDMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033592067 708290636 /nfs/dbraw/zinc/29/06/36/708290636.db2.gz FNNSXTYPBLMAES-CQSZACIVSA-N 2 1 344.484 1.748 20 30 EDEDMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033592067 708290639 /nfs/dbraw/zinc/29/06/39/708290639.db2.gz FNNSXTYPBLMAES-CQSZACIVSA-N 2 1 344.484 1.748 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC[C@H]3CCCO3)C2)CC1 ZINC001033687236 708500870 /nfs/dbraw/zinc/50/08/70/708500870.db2.gz DEOJFRWWVSBUKM-RTBURBONSA-N 2 1 347.503 1.433 20 30 EDEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001005423288 708940073 /nfs/dbraw/zinc/94/00/73/708940073.db2.gz DAAMRJBHSLUUQK-CVEARBPZSA-N 2 1 341.883 1.525 20 30 EDEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001005423288 708940074 /nfs/dbraw/zinc/94/00/74/708940074.db2.gz DAAMRJBHSLUUQK-CVEARBPZSA-N 2 1 341.883 1.525 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001002480059 709030191 /nfs/dbraw/zinc/03/01/91/709030191.db2.gz LXGZCPAYRQAUTG-SFHVURJKSA-N 2 1 326.444 1.733 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001034046712 709299658 /nfs/dbraw/zinc/29/96/58/709299658.db2.gz UTTXUXXSPIGYCY-HKUYNNGSSA-N 2 1 347.503 1.291 20 30 EDEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034318646 709767836 /nfs/dbraw/zinc/76/78/36/709767836.db2.gz CTMPRNNOIBQWKE-VIHIWDAPSA-N 2 1 333.476 1.396 20 30 EDEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034318646 709767839 /nfs/dbraw/zinc/76/78/39/709767839.db2.gz CTMPRNNOIBQWKE-VIHIWDAPSA-N 2 1 333.476 1.396 20 30 EDEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034318646 709767840 /nfs/dbraw/zinc/76/78/40/709767840.db2.gz CTMPRNNOIBQWKE-VIHIWDAPSA-N 2 1 333.476 1.396 20 30 EDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034395037 709932476 /nfs/dbraw/zinc/93/24/76/709932476.db2.gz UJQKMLGQNMMTES-IAGOWNOFSA-N 2 1 328.460 1.748 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034395037 709932478 /nfs/dbraw/zinc/93/24/78/709932478.db2.gz UJQKMLGQNMMTES-IAGOWNOFSA-N 2 1 328.460 1.748 20 30 EDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034435185 710008359 /nfs/dbraw/zinc/00/83/59/710008359.db2.gz HAJRYWBNFGCOKL-QGZVFWFLSA-N 2 1 331.464 1.052 20 30 EDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001034659992 710589638 /nfs/dbraw/zinc/58/96/38/710589638.db2.gz SNZSBMJAWBKWCD-BQFCYCMXSA-N 2 1 333.476 1.280 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)OC)C[C@H]2CC1 ZINC000946628136 711974197 /nfs/dbraw/zinc/97/41/97/711974197.db2.gz JCZCSSSTAOEUBJ-OKYOBFRVSA-N 2 1 347.503 1.289 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)OC)C[C@H]2CC1 ZINC000946628136 711974199 /nfs/dbraw/zinc/97/41/99/711974199.db2.gz JCZCSSSTAOEUBJ-OKYOBFRVSA-N 2 1 347.503 1.289 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](C)OC)C[C@H]2CC1 ZINC000946628136 711974201 /nfs/dbraw/zinc/97/42/01/711974201.db2.gz JCZCSSSTAOEUBJ-OKYOBFRVSA-N 2 1 347.503 1.289 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](C)OC)C[C@H]2CC1 ZINC000946628136 711974202 /nfs/dbraw/zinc/97/42/02/711974202.db2.gz JCZCSSSTAOEUBJ-OKYOBFRVSA-N 2 1 347.503 1.289 20 30 EDEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004622012 712068713 /nfs/dbraw/zinc/06/87/13/712068713.db2.gz VSKBZADKKXCKFP-RBUKOAKNSA-N 2 1 347.503 1.433 20 30 EDEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004622012 712068715 /nfs/dbraw/zinc/06/87/15/712068715.db2.gz VSKBZADKKXCKFP-RBUKOAKNSA-N 2 1 347.503 1.433 20 30 EDEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004622012 712068716 /nfs/dbraw/zinc/06/87/16/712068716.db2.gz VSKBZADKKXCKFP-RBUKOAKNSA-N 2 1 347.503 1.433 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004622012 712068717 /nfs/dbraw/zinc/06/87/17/712068717.db2.gz VSKBZADKKXCKFP-RBUKOAKNSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CCN(CC)CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000490922987 255108868 /nfs/dbraw/zinc/10/88/68/255108868.db2.gz IBBYGQGJHDBQBW-UHFFFAOYSA-N 2 1 343.471 1.685 20 30 EDEDMP C#CCN(CC)CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000490922987 255108870 /nfs/dbraw/zinc/10/88/70/255108870.db2.gz IBBYGQGJHDBQBW-UHFFFAOYSA-N 2 1 343.471 1.685 20 30 EDEDMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccccc3C#N)C2)C1 ZINC000528513078 267337652 /nfs/dbraw/zinc/33/76/52/267337652.db2.gz PKWDONSFXLCVIJ-MJGOQNOKSA-N 2 1 329.444 1.716 20 30 EDEDMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccccc3C#N)C2)C1 ZINC000528513078 267337655 /nfs/dbraw/zinc/33/76/55/267337655.db2.gz PKWDONSFXLCVIJ-MJGOQNOKSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)C1 ZINC000528513078 267337659 /nfs/dbraw/zinc/33/76/59/267337659.db2.gz PKWDONSFXLCVIJ-MJGOQNOKSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)C1 ZINC000528513078 267337660 /nfs/dbraw/zinc/33/76/60/267337660.db2.gz PKWDONSFXLCVIJ-MJGOQNOKSA-N 2 1 329.444 1.716 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cn1 ZINC000107583144 441420458 /nfs/dbraw/zinc/42/04/58/441420458.db2.gz MIDRUJNWIOBNFG-INIZCTEOSA-N 2 1 329.448 1.441 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000184076849 442989312 /nfs/dbraw/zinc/98/93/12/442989312.db2.gz SQCYJCUSKLPILC-XLIONFOSSA-N 2 1 339.483 1.968 20 30 EDEDMP C=CC[N@@H+](CCOC)[C@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000191130062 443246437 /nfs/dbraw/zinc/24/64/37/443246437.db2.gz RYVRIWHEOSTSIG-MRXNPFEDSA-N 2 1 332.448 1.253 20 30 EDEDMP C=CC[N@H+](CCOC)[C@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000191130062 443246439 /nfs/dbraw/zinc/24/64/39/443246439.db2.gz RYVRIWHEOSTSIG-MRXNPFEDSA-N 2 1 332.448 1.253 20 30 EDEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000264037445 443246654 /nfs/dbraw/zinc/24/66/54/443246654.db2.gz CNJPXFMQERKYRJ-KRWDZBQOSA-N 2 1 327.472 1.968 20 30 EDEDMP COC[C@@H](C)NC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000264132022 443252084 /nfs/dbraw/zinc/25/20/84/443252084.db2.gz YGEMQZQIDVHIES-HUUCEWRRSA-N 2 1 334.464 1.347 20 30 EDEDMP COC[C@@H](C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000264132022 443252087 /nfs/dbraw/zinc/25/20/87/443252087.db2.gz YGEMQZQIDVHIES-HUUCEWRRSA-N 2 1 334.464 1.347 20 30 EDEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCC1 ZINC000264137643 443252743 /nfs/dbraw/zinc/25/27/43/443252743.db2.gz VSCNKGLSSWVFPV-MRXNPFEDSA-N 2 1 332.448 1.479 20 30 EDEDMP CC(C)CNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267445340 443460047 /nfs/dbraw/zinc/46/00/47/443460047.db2.gz PXJGCSUIMUNIRT-QGZVFWFLSA-N 2 1 345.491 1.444 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](n2ccnc2CC)C1 ZINC000297457148 444288437 /nfs/dbraw/zinc/28/84/37/444288437.db2.gz KKLUKMJFPVTMSH-MRXNPFEDSA-N 2 1 331.464 1.747 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000297457148 444288439 /nfs/dbraw/zinc/28/84/39/444288439.db2.gz KKLUKMJFPVTMSH-MRXNPFEDSA-N 2 1 331.464 1.747 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000328228878 444386274 /nfs/dbraw/zinc/38/62/74/444386274.db2.gz CFFBARNYQIBWSD-HNNXBMFYSA-N 2 1 337.489 1.543 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000328228878 444386277 /nfs/dbraw/zinc/38/62/77/444386277.db2.gz CFFBARNYQIBWSD-HNNXBMFYSA-N 2 1 337.489 1.543 20 30 EDEDMP Cn1cc(CN2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cn1 ZINC000329203047 444500195 /nfs/dbraw/zinc/50/01/95/444500195.db2.gz YGYGEASOHRMORT-SJORKVTESA-N 2 1 346.479 1.079 20 30 EDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCSC[C@@H]2CCO)CC1 ZINC000329917007 444768568 /nfs/dbraw/zinc/76/85/68/444768568.db2.gz QPLJBDCTFJPSJO-HNNXBMFYSA-N 2 1 329.510 1.616 20 30 EDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCSC[C@@H]2CCO)CC1 ZINC000329917007 444768573 /nfs/dbraw/zinc/76/85/73/444768573.db2.gz QPLJBDCTFJPSJO-HNNXBMFYSA-N 2 1 329.510 1.616 20 30 EDEDMP Cn1ccnc1[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1C ZINC000329957852 444786703 /nfs/dbraw/zinc/78/67/03/444786703.db2.gz MDAXIDGDFRFLQO-GOEBONIOSA-N 2 1 346.479 1.107 20 30 EDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccccn3)C2)CC1 ZINC000330086725 444839824 /nfs/dbraw/zinc/83/98/24/444839824.db2.gz MMXPKUICCBMABC-MRXNPFEDSA-N 2 1 332.448 1.976 20 30 EDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Oc3ccccn3)C2)CC1 ZINC000330086725 444839827 /nfs/dbraw/zinc/83/98/27/444839827.db2.gz MMXPKUICCBMABC-MRXNPFEDSA-N 2 1 332.448 1.976 20 30 EDEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000330189013 444879121 /nfs/dbraw/zinc/87/91/21/444879121.db2.gz LNQMMJRLGAPEFU-MRXNPFEDSA-N 2 1 347.463 1.156 20 30 EDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(C#N)CC3(C)C)CC2)CC1 ZINC000576238864 448008325 /nfs/dbraw/zinc/00/83/25/448008325.db2.gz LFKFHAYGPTXFFY-LJQANCHMSA-N 2 1 332.492 1.991 20 30 EDEDMP CN(CCC#N)C[C@@H](O)CNc1ccc2c(c1)N(C)CC[N@H+](C)C2 ZINC000576746272 448129899 /nfs/dbraw/zinc/12/98/99/448129899.db2.gz FIPKOMKAZHIIHP-KRWDZBQOSA-N 2 1 331.464 1.186 20 30 EDEDMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000600746810 449531188 /nfs/dbraw/zinc/53/11/88/449531188.db2.gz XOXBGXHVRYCAOC-GBESFXJTSA-N 2 1 343.471 1.514 20 30 EDEDMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000600746810 449531192 /nfs/dbraw/zinc/53/11/92/449531192.db2.gz XOXBGXHVRYCAOC-GBESFXJTSA-N 2 1 343.471 1.514 20 30 EDEDMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)C1 ZINC000174776008 527756332 /nfs/dbraw/zinc/75/63/32/527756332.db2.gz FVJZWNBIZVSGFZ-HHXXYDBFSA-N 2 1 331.460 1.960 20 30 EDEDMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)C1 ZINC000174776008 527756340 /nfs/dbraw/zinc/75/63/40/527756340.db2.gz FVJZWNBIZVSGFZ-HHXXYDBFSA-N 2 1 331.460 1.960 20 30 EDEDMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)C1 ZINC000174776008 527756344 /nfs/dbraw/zinc/75/63/44/527756344.db2.gz FVJZWNBIZVSGFZ-HHXXYDBFSA-N 2 1 331.460 1.960 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(C(=O)OC)c1 ZINC000132407172 529100742 /nfs/dbraw/zinc/10/07/42/529100742.db2.gz JNNVQTGQQCBTGB-INIZCTEOSA-N 2 1 332.448 1.404 20 30 EDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)C(C)C ZINC000906675431 592257009 /nfs/dbraw/zinc/25/70/09/592257009.db2.gz XFZYNYLQWRREPX-GOSISDBHSA-N 2 1 336.524 1.295 20 30 EDEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856591895 596027290 /nfs/dbraw/zinc/02/72/90/596027290.db2.gz DAMAYPNTWHPKBA-CRAIPNDOSA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856591895 596027294 /nfs/dbraw/zinc/02/72/94/596027294.db2.gz DAMAYPNTWHPKBA-CRAIPNDOSA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591895 596027297 /nfs/dbraw/zinc/02/72/97/596027297.db2.gz DAMAYPNTWHPKBA-CRAIPNDOSA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591895 596027301 /nfs/dbraw/zinc/02/73/01/596027301.db2.gz DAMAYPNTWHPKBA-CRAIPNDOSA-N 2 1 346.475 1.677 20 30 EDEDMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3Cc4ccc(C#N)cc4C3)cn2)CC1 ZINC000865847904 596701749 /nfs/dbraw/zinc/70/17/49/596701749.db2.gz JRZYKMQWHZCFRC-LJQANCHMSA-N 2 1 348.454 1.357 20 30 EDEDMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876734040 597312446 /nfs/dbraw/zinc/31/24/46/597312446.db2.gz NVWHXIOTMRBCFP-QAPCUYQASA-N 2 1 326.444 1.592 20 30 EDEDMP C[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H](c2ccccc2)C1 ZINC000884305684 598059911 /nfs/dbraw/zinc/05/99/11/598059911.db2.gz DFEZCOBJYIQMAX-AGYKMIKPSA-N 2 1 338.455 1.641 20 30 EDEDMP C[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H](c2ccccc2)C1 ZINC000884305684 598059915 /nfs/dbraw/zinc/05/99/15/598059915.db2.gz DFEZCOBJYIQMAX-AGYKMIKPSA-N 2 1 338.455 1.641 20 30 EDEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC000992743327 695263574 /nfs/dbraw/zinc/26/35/74/695263574.db2.gz SDWGQYNSZLKDOB-FVQBIDKESA-N 2 1 330.432 1.200 20 30 EDEDMP N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001031675592 697484051 /nfs/dbraw/zinc/48/40/51/697484051.db2.gz NPANMFSFIAJBHO-QGZVFWFLSA-N 2 1 344.484 1.510 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(CC)c2)C1 ZINC001031741393 698310843 /nfs/dbraw/zinc/31/08/43/698310843.db2.gz YNEAUQQXWQEPRH-FQEVSTJZSA-N 2 1 339.483 1.895 20 30 EDEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000941595862 701587475 /nfs/dbraw/zinc/58/74/75/701587475.db2.gz QEALEUQIIHCCRX-LJQANCHMSA-N 2 1 346.519 1.101 20 30 EDEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000941595862 701587476 /nfs/dbraw/zinc/58/74/76/701587476.db2.gz QEALEUQIIHCCRX-LJQANCHMSA-N 2 1 346.519 1.101 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3cncn3C2)C(C)(C)C1 ZINC000940850437 700935272 /nfs/dbraw/zinc/93/52/72/700935272.db2.gz FJCRDURNTYVGNT-WBVHZDCISA-N 2 1 328.460 1.686 20 30 EDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971765 701014242 /nfs/dbraw/zinc/01/42/42/701014242.db2.gz BZBWLSQTLROXML-SJORKVTESA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971765 701014243 /nfs/dbraw/zinc/01/42/43/701014243.db2.gz BZBWLSQTLROXML-SJORKVTESA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971765 701014244 /nfs/dbraw/zinc/01/42/44/701014244.db2.gz BZBWLSQTLROXML-SJORKVTESA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971765 701014245 /nfs/dbraw/zinc/01/42/45/701014245.db2.gz BZBWLSQTLROXML-SJORKVTESA-N 2 1 337.508 1.888 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941436703 701539978 /nfs/dbraw/zinc/53/99/78/701539978.db2.gz CNYYSJYTUOPKJL-SFHVURJKSA-N 2 1 348.535 1.654 20 30 EDEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001032205658 702092137 /nfs/dbraw/zinc/09/21/37/702092137.db2.gz DWGXNLBFEZQERF-IBGZPJMESA-N 2 1 340.471 1.981 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995921406 702243581 /nfs/dbraw/zinc/24/35/81/702243581.db2.gz HYXGPDVNWLVPAI-HOTGVXAUSA-N 2 1 330.432 1.099 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(C)oc2C)CC1 ZINC000996687187 702984652 /nfs/dbraw/zinc/98/46/52/702984652.db2.gz VODRKJLTAHDCQD-SFHVURJKSA-N 2 1 344.459 1.470 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(C)oc2C)CC1 ZINC000996687187 702984655 /nfs/dbraw/zinc/98/46/55/702984655.db2.gz VODRKJLTAHDCQD-SFHVURJKSA-N 2 1 344.459 1.470 20 30 EDEDMP C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000996776942 703066439 /nfs/dbraw/zinc/06/64/39/703066439.db2.gz RFMBEAHCFFEKBG-LWSMDNFKSA-N 2 1 346.519 1.005 20 30 EDEDMP C#CCCN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996802915 703093189 /nfs/dbraw/zinc/09/31/89/703093189.db2.gz NNGVUIQPOTUWMK-VIQWUECVSA-N 2 1 346.519 1.006 20 30 EDEDMP C#CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000995266435 703182001 /nfs/dbraw/zinc/18/20/01/703182001.db2.gz HMYIJKZVYXRZEU-MOPGFXCFSA-N 2 1 340.471 1.317 20 30 EDEDMP C#CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000995266435 703182003 /nfs/dbraw/zinc/18/20/03/703182003.db2.gz HMYIJKZVYXRZEU-MOPGFXCFSA-N 2 1 340.471 1.317 20 30 EDEDMP C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000995266435 703182004 /nfs/dbraw/zinc/18/20/04/703182004.db2.gz HMYIJKZVYXRZEU-MOPGFXCFSA-N 2 1 340.471 1.317 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001040452184 704596244 /nfs/dbraw/zinc/59/62/44/704596244.db2.gz GVSHFXAYMNIBCJ-IBGZPJMESA-N 2 1 333.476 1.047 20 30 EDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001040452184 704596247 /nfs/dbraw/zinc/59/62/47/704596247.db2.gz GVSHFXAYMNIBCJ-IBGZPJMESA-N 2 1 333.476 1.047 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000998157795 705434008 /nfs/dbraw/zinc/43/40/08/705434008.db2.gz UJIYBQBDLXXPMK-GOSISDBHSA-N 2 1 347.507 1.947 20 30 EDEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001032641265 706199526 /nfs/dbraw/zinc/19/95/26/706199526.db2.gz GNLPPNSVMOCOAP-OKYOBFRVSA-N 2 1 325.456 1.803 20 30 EDEDMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001032641265 706199528 /nfs/dbraw/zinc/19/95/28/706199528.db2.gz GNLPPNSVMOCOAP-OKYOBFRVSA-N 2 1 325.456 1.803 20 30 EDEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001032641265 706199531 /nfs/dbraw/zinc/19/95/31/706199531.db2.gz GNLPPNSVMOCOAP-OKYOBFRVSA-N 2 1 325.456 1.803 20 30 EDEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001032641265 706199533 /nfs/dbraw/zinc/19/95/33/706199533.db2.gz GNLPPNSVMOCOAP-OKYOBFRVSA-N 2 1 325.456 1.803 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2cccs2)C1 ZINC000998927815 706356296 /nfs/dbraw/zinc/35/62/96/706356296.db2.gz JRZNCRZQEPHZIQ-HTWSVDAQSA-N 2 1 345.512 1.967 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2cccs2)C1 ZINC000998927815 706356298 /nfs/dbraw/zinc/35/62/98/706356298.db2.gz JRZNCRZQEPHZIQ-HTWSVDAQSA-N 2 1 345.512 1.967 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(CC)n2)C1 ZINC000998929314 706358006 /nfs/dbraw/zinc/35/80/06/706358006.db2.gz SPUZKLGGHSGLMT-ABHNRTSZSA-N 2 1 343.475 1.080 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(CC)n2)C1 ZINC000998929314 706358009 /nfs/dbraw/zinc/35/80/09/706358009.db2.gz SPUZKLGGHSGLMT-ABHNRTSZSA-N 2 1 343.475 1.080 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnc(C)o2)C1 ZINC000999393068 706887334 /nfs/dbraw/zinc/88/73/34/706887334.db2.gz VOJQDEZSIUNHKB-RDJZCZTQSA-N 2 1 330.432 1.161 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnc(C)o2)C1 ZINC000999393068 706887336 /nfs/dbraw/zinc/88/73/36/706887336.db2.gz VOJQDEZSIUNHKB-RDJZCZTQSA-N 2 1 330.432 1.161 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297716 707415189 /nfs/dbraw/zinc/41/51/89/707415189.db2.gz RZAVDKHSSROMHG-GOSISDBHSA-N 2 1 327.472 1.960 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000999833610 707463781 /nfs/dbraw/zinc/46/37/81/707463781.db2.gz AJIYJJLORKMAGY-ODIFPOPNSA-N 2 1 344.434 1.728 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@H]2CCCOC2)CC1 ZINC001000790396 708065826 /nfs/dbraw/zinc/06/58/26/708065826.db2.gz IZUQGDNHPZOQAP-MOPGFXCFSA-N 2 1 345.487 1.259 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC001000790396 708065827 /nfs/dbraw/zinc/06/58/27/708065827.db2.gz IZUQGDNHPZOQAP-MOPGFXCFSA-N 2 1 345.487 1.259 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001000790396 708065828 /nfs/dbraw/zinc/06/58/28/708065828.db2.gz IZUQGDNHPZOQAP-MOPGFXCFSA-N 2 1 345.487 1.259 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001000790396 708065829 /nfs/dbraw/zinc/06/58/29/708065829.db2.gz IZUQGDNHPZOQAP-MOPGFXCFSA-N 2 1 345.487 1.259 20 30 EDEDMP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033592485 708291126 /nfs/dbraw/zinc/29/11/26/708291126.db2.gz HPSSIDVNJLUIRO-GOSISDBHSA-N 2 1 338.455 1.687 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001033689438 708519404 /nfs/dbraw/zinc/51/94/04/708519404.db2.gz YSKIDDBKRLXDEC-LJQANCHMSA-N 2 1 340.471 1.460 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907166 709038496 /nfs/dbraw/zinc/03/84/96/709038496.db2.gz QSYUMQWBFUXFJL-NNVNDSJASA-N 2 1 347.503 1.739 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033907166 709038502 /nfs/dbraw/zinc/03/85/02/709038502.db2.gz QSYUMQWBFUXFJL-NNVNDSJASA-N 2 1 347.503 1.739 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033907166 709038504 /nfs/dbraw/zinc/03/85/04/709038504.db2.gz QSYUMQWBFUXFJL-NNVNDSJASA-N 2 1 347.503 1.739 20 30 EDEDMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC001004141007 711540193 /nfs/dbraw/zinc/54/01/93/711540193.db2.gz BIUKEJPFLYLFOH-INIZCTEOSA-N 2 1 344.434 1.730 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC001004141007 711540196 /nfs/dbraw/zinc/54/01/96/711540196.db2.gz BIUKEJPFLYLFOH-INIZCTEOSA-N 2 1 344.434 1.730 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001004470321 711847006 /nfs/dbraw/zinc/84/70/06/711847006.db2.gz TXPPTKUSVRYGTD-NZSAHSFTSA-N 2 1 349.519 1.985 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001004470321 711847007 /nfs/dbraw/zinc/84/70/07/711847007.db2.gz TXPPTKUSVRYGTD-NZSAHSFTSA-N 2 1 349.519 1.985 20 30 EDEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004470321 711847008 /nfs/dbraw/zinc/84/70/08/711847008.db2.gz TXPPTKUSVRYGTD-NZSAHSFTSA-N 2 1 349.519 1.985 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004470321 711847009 /nfs/dbraw/zinc/84/70/09/711847009.db2.gz TXPPTKUSVRYGTD-NZSAHSFTSA-N 2 1 349.519 1.985 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004575384 712002285 /nfs/dbraw/zinc/00/22/85/712002285.db2.gz IHHLOWWNXYXZKA-IBGZPJMESA-N 2 1 349.519 1.988 20 30 EDEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004575384 712002286 /nfs/dbraw/zinc/00/22/86/712002286.db2.gz IHHLOWWNXYXZKA-IBGZPJMESA-N 2 1 349.519 1.988 20 30 EDEDMP C[NH+]=C(NCCc1c(C)noc1C)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262786383 249323268 /nfs/dbraw/zinc/32/32/68/249323268.db2.gz MPYYBSLZUDOINX-INIZCTEOSA-N 2 1 349.479 1.063 20 30 EDEDMP COc1ccc(CCCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264082357 249332306 /nfs/dbraw/zinc/33/23/06/249332306.db2.gz HWQJSKHMQZXTPN-UHFFFAOYSA-N 2 1 334.464 1.254 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261786704 139225885 /nfs/dbraw/zinc/22/58/85/139225885.db2.gz YLAVCEIKFLCRJD-QZTJIDSGSA-N 2 1 326.444 1.638 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@@H+](CCOC)C[C@H]2CC=CCC2)CC1 ZINC000491667265 255137294 /nfs/dbraw/zinc/13/72/94/255137294.db2.gz MRTVNKBFLLOUFI-SFHVURJKSA-N 2 1 333.476 1.069 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000264079864 285284255 /nfs/dbraw/zinc/28/42/55/285284255.db2.gz GYRDWJVHUFHICW-KRWDZBQOSA-N 3 1 347.507 1.516 20 30 EDEDMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000104172489 533477676 /nfs/dbraw/zinc/47/76/76/533477676.db2.gz WOGNXJZZWAUMIN-HNNXBMFYSA-N 2 1 346.475 1.635 20 30 EDEDMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000083030587 441347362 /nfs/dbraw/zinc/34/73/62/441347362.db2.gz KIBCXBWFSMSXKB-HLLBOEOZSA-N 2 1 346.475 1.914 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccccc1Cl ZINC000154568036 442346017 /nfs/dbraw/zinc/34/60/17/442346017.db2.gz NVTTVVRRTXMXJC-DYVFJYSZSA-N 2 1 338.883 1.936 20 30 EDEDMP N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2=O)cc1 ZINC000190626649 443151555 /nfs/dbraw/zinc/15/15/55/443151555.db2.gz PZBLPEPYUGFRKZ-OTWHNJEPSA-N 2 1 338.455 1.876 20 30 EDEDMP N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2=O)cc1 ZINC000190626649 443151558 /nfs/dbraw/zinc/15/15/58/443151558.db2.gz PZBLPEPYUGFRKZ-OTWHNJEPSA-N 2 1 338.455 1.876 20 30 EDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261655952 443162952 /nfs/dbraw/zinc/16/29/52/443162952.db2.gz ADFPKOVEIJSOPV-GOEBONIOSA-N 2 1 329.452 1.547 20 30 EDEDMP [NH2+]=C(NCCCOc1ccc(F)cc1)NCCC[NH+]1CCOCC1 ZINC000264134248 443252054 /nfs/dbraw/zinc/25/20/54/443252054.db2.gz ZDSSNILYVRUTMO-UHFFFAOYSA-N 2 1 338.427 1.221 20 30 EDEDMP CC[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1cccc(C)c1 ZINC000267672630 443536072 /nfs/dbraw/zinc/53/60/72/443536072.db2.gz OHQKONXAJLPGSS-KRWDZBQOSA-N 2 1 348.491 1.779 20 30 EDEDMP CN(CCC[N@@H+](C)Cc1cnc2ccc(C#N)cn12)CC[NH+](C)C ZINC000570762337 321356213 /nfs/dbraw/zinc/35/62/13/321356213.db2.gz RRUKSFWDQLBTCU-UHFFFAOYSA-N 2 1 328.464 1.521 20 30 EDEDMP C[C@H](CNC(=O)N1CCC([N@@H+](C)CCO)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000331143477 444414964 /nfs/dbraw/zinc/41/49/64/444414964.db2.gz YJDYBNDFXRAQDA-HZPDHXFCSA-N 2 1 340.512 1.409 20 30 EDEDMP C[C@H](CNC(=O)N1CCC([NH+](C)CCO)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000331143477 444414966 /nfs/dbraw/zinc/41/49/66/444414966.db2.gz YJDYBNDFXRAQDA-HZPDHXFCSA-N 2 1 340.512 1.409 20 30 EDEDMP C[C@H](CNC(=O)N1CCC([NH+](C)CCO)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000331143477 444414971 /nfs/dbraw/zinc/41/49/71/444414971.db2.gz YJDYBNDFXRAQDA-HZPDHXFCSA-N 2 1 340.512 1.409 20 30 EDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCc2nccn2C)CC1 ZINC000329100702 444472548 /nfs/dbraw/zinc/47/25/48/444472548.db2.gz DUHPRXVGXHFGFI-IYBDPMFKSA-N 2 1 348.495 1.325 20 30 EDEDMP C[C@@H]1CC[C@@](CO)([N@@H+](C)CC#CC[NH+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000342168973 444545791 /nfs/dbraw/zinc/54/57/91/444545791.db2.gz OVNOUZSETNDTFY-WTGUMLROSA-N 2 1 336.520 1.956 20 30 EDEDMP C[C@@H]1CC[C@@](CO)([NH+](C)CC#CC[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000342168973 444545795 /nfs/dbraw/zinc/54/57/95/444545795.db2.gz OVNOUZSETNDTFY-WTGUMLROSA-N 2 1 336.520 1.956 20 30 EDEDMP C[C@@H]1CC[C@@](CO)([NH+](C)CC#CC[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000342168973 444545800 /nfs/dbraw/zinc/54/58/00/444545800.db2.gz OVNOUZSETNDTFY-WTGUMLROSA-N 2 1 336.520 1.956 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000357814285 445584474 /nfs/dbraw/zinc/58/44/74/445584474.db2.gz CADCVMBPIBDYAG-JZXOWHBKSA-N 2 1 337.508 1.887 20 30 EDEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000420296579 446459534 /nfs/dbraw/zinc/45/95/34/446459534.db2.gz QJLNIAUAVYKHIP-MRXNPFEDSA-N 2 1 346.475 1.261 20 30 EDEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000420296579 446459542 /nfs/dbraw/zinc/45/95/42/446459542.db2.gz QJLNIAUAVYKHIP-MRXNPFEDSA-N 2 1 346.475 1.261 20 30 EDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000451594722 447740409 /nfs/dbraw/zinc/74/04/09/447740409.db2.gz BTFZWDWZVHPZSA-MOPGFXCFSA-N 2 1 343.471 1.572 20 30 EDEDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000576389722 448042246 /nfs/dbraw/zinc/04/22/46/448042246.db2.gz AAPAMYCUXIGWRA-MISYRCLQSA-N 2 1 344.503 1.835 20 30 EDEDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000576389722 448042247 /nfs/dbraw/zinc/04/22/47/448042247.db2.gz AAPAMYCUXIGWRA-MISYRCLQSA-N 2 1 344.503 1.835 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@H+](C)[C@H](C)Cc2cccc(F)c2)CC1 ZINC000491805421 448133599 /nfs/dbraw/zinc/13/35/99/448133599.db2.gz OMPUBYKBWAWTQW-MRXNPFEDSA-N 2 1 331.435 1.466 20 30 EDEDMP C#CCN1CCN(C(=O)CN(C)[C@H](C)Cc2cccc(F)c2)CC1 ZINC000491805421 448133603 /nfs/dbraw/zinc/13/36/03/448133603.db2.gz OMPUBYKBWAWTQW-MRXNPFEDSA-N 2 1 331.435 1.466 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000491805355 448133645 /nfs/dbraw/zinc/13/36/45/448133645.db2.gz OECKXSSFTJOUJH-SJLPKXTDSA-N 2 1 332.492 1.600 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000491805355 448133653 /nfs/dbraw/zinc/13/36/53/448133653.db2.gz OECKXSSFTJOUJH-SJLPKXTDSA-N 2 1 332.492 1.600 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000491805355 448133660 /nfs/dbraw/zinc/13/36/60/448133660.db2.gz OECKXSSFTJOUJH-SJLPKXTDSA-N 2 1 332.492 1.600 20 30 EDEDMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000577484973 448308594 /nfs/dbraw/zinc/30/85/94/448308594.db2.gz OHKXIIBKEGQDJR-NVXWUHKLSA-N 2 1 346.450 1.711 20 30 EDEDMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000577484973 448308596 /nfs/dbraw/zinc/30/85/96/448308596.db2.gz OHKXIIBKEGQDJR-NVXWUHKLSA-N 2 1 346.450 1.711 20 30 EDEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000578885493 448663396 /nfs/dbraw/zinc/66/33/96/448663396.db2.gz CFSAMRVCZRYXCU-FUHWJXTLSA-N 2 1 343.475 1.334 20 30 EDEDMP C[C@H](C#N)CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000542875320 448730201 /nfs/dbraw/zinc/73/02/01/448730201.db2.gz IQUYDRVEFHNMHB-MRXNPFEDSA-N 2 1 349.523 1.984 20 30 EDEDMP COc1ccc2ncc(C#N)c(NCC[N@H+](C)CCC[NH+](C)C)c2c1 ZINC000596425889 449497157 /nfs/dbraw/zinc/49/71/57/449497157.db2.gz YDMNKZHISJWBDY-UHFFFAOYSA-N 2 1 341.459 1.832 20 30 EDEDMP COc1ccc2ncc(C#N)c(NCC[N@@H+](C)CCC[NH+](C)C)c2c1 ZINC000596425889 449497160 /nfs/dbraw/zinc/49/71/60/449497160.db2.gz YDMNKZHISJWBDY-UHFFFAOYSA-N 2 1 341.459 1.832 20 30 EDEDMP Cc1cc(N2CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC2)nc(C)[nH+]1 ZINC000594437720 449517089 /nfs/dbraw/zinc/51/70/89/449517089.db2.gz DTRYRTNUXCJWLM-MRXNPFEDSA-N 2 1 344.463 1.590 20 30 EDEDMP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000598703061 449554605 /nfs/dbraw/zinc/55/46/05/449554605.db2.gz BZHACFQBAIFXMW-SFHVURJKSA-N 2 1 331.460 1.909 20 30 EDEDMP COc1ccc(NC(=[NH2+])NCCN2CCC[N@@H+](C)CC2)cc1OC ZINC000104175086 533990072 /nfs/dbraw/zinc/99/00/72/533990072.db2.gz KQKKWMQICJQLMG-UHFFFAOYSA-N 2 1 335.452 1.068 20 30 EDEDMP C[C@H](C#N)OCC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000801932881 581088523 /nfs/dbraw/zinc/08/85/23/581088523.db2.gz AKZMQCUBPMAJAZ-QGZVFWFLSA-N 2 1 346.475 1.678 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000815652260 593645804 /nfs/dbraw/zinc/64/58/04/593645804.db2.gz VOPQRFPUIVAGMI-ICSRJNTNSA-N 2 1 329.488 1.821 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000815652260 593645806 /nfs/dbraw/zinc/64/58/06/593645806.db2.gz VOPQRFPUIVAGMI-ICSRJNTNSA-N 2 1 329.488 1.821 20 30 EDEDMP Cc1ccccc1C[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852854978 595577238 /nfs/dbraw/zinc/57/72/38/595577238.db2.gz DGOPEOCGBURSPF-UHFFFAOYSA-N 2 1 325.456 1.642 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000852878010 595594307 /nfs/dbraw/zinc/59/43/07/595594307.db2.gz LFAHREQAHNDFHX-KRWDZBQOSA-N 2 1 331.847 1.816 20 30 EDEDMP C#CCNC(=O)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856584892 596022185 /nfs/dbraw/zinc/02/21/85/596022185.db2.gz UHJBFYFOGKVLGI-GOSISDBHSA-N 2 1 344.459 1.126 20 30 EDEDMP C#CCNC(=O)CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584892 596022187 /nfs/dbraw/zinc/02/21/87/596022187.db2.gz UHJBFYFOGKVLGI-GOSISDBHSA-N 2 1 344.459 1.126 20 30 EDEDMP C#CCNC(=O)CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856584892 596022191 /nfs/dbraw/zinc/02/21/91/596022191.db2.gz UHJBFYFOGKVLGI-GOSISDBHSA-N 2 1 344.459 1.126 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000869515581 596547594 /nfs/dbraw/zinc/54/75/94/596547594.db2.gz DCQNOOPKDAKHSS-LJQANCHMSA-N 2 1 331.460 1.200 20 30 EDEDMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801737 597344904 /nfs/dbraw/zinc/34/49/04/597344904.db2.gz IDBCJDSAENLDOG-MKXGPGLRSA-N 2 1 340.471 1.762 20 30 EDEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)CC[C@H]21 ZINC000876900546 597377468 /nfs/dbraw/zinc/37/74/68/597377468.db2.gz KZGUFMSSQQPAKV-BHIYHBOVSA-N 2 1 338.455 1.688 20 30 EDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000876957326 597395889 /nfs/dbraw/zinc/39/58/89/597395889.db2.gz XLRYMTXGNQYLJT-OTWHNJEPSA-N 2 1 338.455 1.878 20 30 EDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000876957326 597395892 /nfs/dbraw/zinc/39/58/92/597395892.db2.gz XLRYMTXGNQYLJT-OTWHNJEPSA-N 2 1 338.455 1.878 20 30 EDEDMP CN1CCN(C(=O)C[N@@H+](C)CCCOc2ccc(C#N)cc2)CC1 ZINC000879355117 597896515 /nfs/dbraw/zinc/89/65/15/597896515.db2.gz YNWJDTFPPUEECD-UHFFFAOYSA-N 2 1 330.432 1.033 20 30 EDEDMP CN(CCCOc1ccc(C#N)cc1)CC(=O)N1CCN(C)CC1 ZINC000879355117 597896517 /nfs/dbraw/zinc/89/65/17/597896517.db2.gz YNWJDTFPPUEECD-UHFFFAOYSA-N 2 1 330.432 1.033 20 30 EDEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CCS[C@H](C(C)C)C1 ZINC000153770936 696599910 /nfs/dbraw/zinc/59/99/10/696599910.db2.gz QKYZRTPFHXAQPY-INIZCTEOSA-N 2 1 341.569 1.273 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccon2)CC1 ZINC000940158174 700289967 /nfs/dbraw/zinc/28/99/67/700289967.db2.gz SWTUJCXCLHYOFC-INIZCTEOSA-N 2 1 330.432 1.243 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccon2)CC1 ZINC000940158174 700289972 /nfs/dbraw/zinc/28/99/72/700289972.db2.gz SWTUJCXCLHYOFC-INIZCTEOSA-N 2 1 330.432 1.243 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901661 700976597 /nfs/dbraw/zinc/97/65/97/700976597.db2.gz PVPDEXXFZAVDDS-RXCRORICSA-N 2 1 345.487 1.090 20 30 EDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901661 700976598 /nfs/dbraw/zinc/97/65/98/700976598.db2.gz PVPDEXXFZAVDDS-RXCRORICSA-N 2 1 345.487 1.090 20 30 EDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901661 700976599 /nfs/dbraw/zinc/97/65/99/700976599.db2.gz PVPDEXXFZAVDDS-RXCRORICSA-N 2 1 345.487 1.090 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC000999188815 706630481 /nfs/dbraw/zinc/63/04/81/706630481.db2.gz DGHXTFPQWHUCIZ-AYOQOUSVSA-N 2 1 340.471 1.979 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2conc2C)C(C)(C)C1 ZINC000995921422 702243160 /nfs/dbraw/zinc/24/31/60/702243160.db2.gz IBSTTYYQTVIKQN-IRXDYDNUSA-N 2 1 344.459 1.407 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)C1 ZINC000996618113 702924866 /nfs/dbraw/zinc/92/48/66/702924866.db2.gz WJQCLNULAOKRDX-MSOLQXFVSA-N 2 1 340.471 1.837 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C(C)(C)C2)C1 ZINC000996617750 702924936 /nfs/dbraw/zinc/92/49/36/702924936.db2.gz WFKUXLCLMMWISN-QZTJIDSGSA-N 2 1 340.471 1.837 20 30 EDEDMP C=CCN1CC[NH+](C2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996795774 703080385 /nfs/dbraw/zinc/08/03/85/703080385.db2.gz RMSLHSFIYRVZAZ-VIQWUECVSA-N 2 1 348.535 1.559 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000997004185 703261151 /nfs/dbraw/zinc/26/11/51/703261151.db2.gz BXIFALVDUUPYMP-BEFAXECRSA-N 2 1 340.471 1.837 20 30 EDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000997123631 703381635 /nfs/dbraw/zinc/38/16/35/703381635.db2.gz ANCZIYDQHBEPMG-VQIMIIECSA-N 2 1 347.503 1.480 20 30 EDEDMP C=C(Br)C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997182647 703467930 /nfs/dbraw/zinc/46/79/30/703467930.db2.gz HRLMUFYQPLQJPY-ZDUSSCGKSA-N 2 1 344.297 1.817 20 30 EDEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997228924 703504520 /nfs/dbraw/zinc/50/45/20/703504520.db2.gz PJIDYXIAQIYBAI-XDAPHXNSSA-N 2 1 347.503 1.642 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000997607031 703905994 /nfs/dbraw/zinc/90/59/94/703905994.db2.gz OBSFGFKXYZNCQH-LJQANCHMSA-N 2 1 340.471 1.981 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000997832862 704752469 /nfs/dbraw/zinc/75/24/69/704752469.db2.gz XSFGFRAIMQZXFV-KRWDZBQOSA-N 2 1 346.500 1.569 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000997832862 704752471 /nfs/dbraw/zinc/75/24/71/704752471.db2.gz XSFGFRAIMQZXFV-KRWDZBQOSA-N 2 1 346.500 1.569 20 30 EDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CN2CCc3sccc3C2)[C@@H](C)C1 ZINC000945089089 705041732 /nfs/dbraw/zinc/04/17/32/705041732.db2.gz FIRMOMSURZIRIW-GOEBONIOSA-N 2 1 331.485 1.566 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC000998277095 705660279 /nfs/dbraw/zinc/66/02/79/705660279.db2.gz NKRHXJXQMFIQBV-KBPBESRZSA-N 2 1 345.409 1.863 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC[C@@H]3CCCO3)C2)CC1 ZINC001033687230 708500670 /nfs/dbraw/zinc/50/06/70/708500670.db2.gz DEOJFRWWVSBUKM-MOPGFXCFSA-N 2 1 347.503 1.433 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001002121979 708635779 /nfs/dbraw/zinc/63/57/79/708635779.db2.gz WZSIFRHHOMIFIV-LJQANCHMSA-N 2 1 340.471 1.838 20 30 EDEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034435153 710008036 /nfs/dbraw/zinc/00/80/36/710008036.db2.gz FZNLJLCYOPZGJD-SFHVURJKSA-N 2 1 347.507 1.995 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2coc(C)n2)CC1 ZINC001034664127 710333448 /nfs/dbraw/zinc/33/34/48/710333448.db2.gz VQSWPVOAENIYFE-BQFCYCMXSA-N 2 1 344.459 1.598 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2coc(C)n2)CC1 ZINC001034664127 710333452 /nfs/dbraw/zinc/33/34/52/710333452.db2.gz VQSWPVOAENIYFE-BQFCYCMXSA-N 2 1 344.459 1.598 20 30 EDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001034659993 710589758 /nfs/dbraw/zinc/58/97/58/710589758.db2.gz SNZSBMJAWBKWCD-JFIYKMOQSA-N 2 1 333.476 1.280 20 30 EDEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245920931 249304847 /nfs/dbraw/zinc/30/48/47/249304847.db2.gz SQKCJGZZYXCAMB-HOTGVXAUSA-N 2 1 331.464 1.683 20 30 EDEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245920931 249304851 /nfs/dbraw/zinc/30/48/51/249304851.db2.gz SQKCJGZZYXCAMB-HOTGVXAUSA-N 2 1 331.464 1.683 20 30 EDEDMP C[NH+]=C(NCCc1c[nH]c2ccccc12)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000263067019 249327272 /nfs/dbraw/zinc/32/72/72/249327272.db2.gz IRRHSJHAQDGLMC-MRXNPFEDSA-N 2 1 342.491 1.121 20 30 EDEDMP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000424153248 252145856 /nfs/dbraw/zinc/14/58/56/252145856.db2.gz JVZDZCRAQIJTLZ-KRWDZBQOSA-N 2 1 330.432 1.521 20 30 EDEDMP N#Cc1ccc(CNC(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000369598708 155104058 /nfs/dbraw/zinc/10/40/58/155104058.db2.gz BTWKZUWGJCIYOE-CEXWTWQISA-N 2 1 338.455 1.591 20 30 EDEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528399016 267302204 /nfs/dbraw/zinc/30/22/04/267302204.db2.gz XHTFTRJNEKUQJD-PKOBYXMFSA-N 2 1 343.471 1.962 20 30 EDEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528399016 267302206 /nfs/dbraw/zinc/30/22/06/267302206.db2.gz XHTFTRJNEKUQJD-PKOBYXMFSA-N 2 1 343.471 1.962 20 30 EDEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528399016 267302208 /nfs/dbraw/zinc/30/22/08/267302208.db2.gz XHTFTRJNEKUQJD-PKOBYXMFSA-N 2 1 343.471 1.962 20 30 EDEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528399016 267302210 /nfs/dbraw/zinc/30/22/10/267302210.db2.gz XHTFTRJNEKUQJD-PKOBYXMFSA-N 2 1 343.471 1.962 20 30 EDEDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528399004 267302697 /nfs/dbraw/zinc/30/26/97/267302697.db2.gz XHTFTRJNEKUQJD-HKUYNNGSSA-N 2 1 343.471 1.962 20 30 EDEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528399004 267302698 /nfs/dbraw/zinc/30/26/98/267302698.db2.gz XHTFTRJNEKUQJD-HKUYNNGSSA-N 2 1 343.471 1.962 20 30 EDEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528399004 267302699 /nfs/dbraw/zinc/30/26/99/267302699.db2.gz XHTFTRJNEKUQJD-HKUYNNGSSA-N 2 1 343.471 1.962 20 30 EDEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528399004 267302700 /nfs/dbraw/zinc/30/27/00/267302700.db2.gz XHTFTRJNEKUQJD-HKUYNNGSSA-N 2 1 343.471 1.962 20 30 EDEDMP C[N@H+]1CCC[C@H](CC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000521031220 267338308 /nfs/dbraw/zinc/33/83/08/267338308.db2.gz WERAOJSGLNIQNL-OAHLLOKOSA-N 2 1 335.473 1.653 20 30 EDEDMP CC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000124632559 441940657 /nfs/dbraw/zinc/94/06/57/441940657.db2.gz JNQDEYIYAVIOJJ-GOSISDBHSA-N 2 1 328.460 1.933 20 30 EDEDMP [NH2+]=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccccn1 ZINC000170908267 442286692 /nfs/dbraw/zinc/28/66/92/442286692.db2.gz AAVMWPDQPOXSLQ-UHFFFAOYSA-N 2 1 325.416 1.841 20 30 EDEDMP CCN1CC[NH+](Cc2ccc(CNC(NC3CC3)=[NH+]C)cc2)CC1 ZINC000264061945 443247855 /nfs/dbraw/zinc/24/78/55/443247855.db2.gz PRCDLEBWKVKNMG-UHFFFAOYSA-N 2 1 329.492 1.652 20 30 EDEDMP CCCNC(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000264109367 443248842 /nfs/dbraw/zinc/24/88/42/443248842.db2.gz QLKYOECXHKYUOB-UHFFFAOYSA-N 2 1 347.463 1.162 20 30 EDEDMP CCOC(=O)c1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000264116366 443249565 /nfs/dbraw/zinc/24/95/65/443249565.db2.gz SRSBEFKXEPRARL-INIZCTEOSA-N 2 1 332.448 1.752 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCCC2)nc1 ZINC000264142106 443252265 /nfs/dbraw/zinc/25/22/65/443252265.db2.gz WTUOHLXMGIRZCW-MRXNPFEDSA-N 2 1 330.480 1.570 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cnn(-c2ccccc2)c1 ZINC000264137477 443253043 /nfs/dbraw/zinc/25/30/43/443253043.db2.gz VOGUEGMRKPFAGG-SFHVURJKSA-N 2 1 340.475 1.803 20 30 EDEDMP CCOc1cc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)ccc1OC ZINC000267433035 443455921 /nfs/dbraw/zinc/45/59/21/443455921.db2.gz NBAZCRSVFOEZOG-OAHLLOKOSA-N 2 1 334.464 1.983 20 30 EDEDMP COCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000283595897 443669882 /nfs/dbraw/zinc/66/98/82/443669882.db2.gz QBRLUSPFMMZLPI-UHFFFAOYSA-N 2 1 344.459 1.171 20 30 EDEDMP COCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000283595897 443669885 /nfs/dbraw/zinc/66/98/85/443669885.db2.gz QBRLUSPFMMZLPI-UHFFFAOYSA-N 2 1 344.459 1.171 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1cccnc1-n1ccnc1C ZINC000296481030 444233228 /nfs/dbraw/zinc/23/32/28/444233228.db2.gz XACMAQOPCANXLS-UHFFFAOYSA-N 2 1 340.431 1.330 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000296481030 444233231 /nfs/dbraw/zinc/23/32/31/444233231.db2.gz XACMAQOPCANXLS-UHFFFAOYSA-N 2 1 340.431 1.330 20 30 EDEDMP CCCCNC(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303889136 444237893 /nfs/dbraw/zinc/23/78/93/444237893.db2.gz PHRJSVYFUWOVKI-UHFFFAOYSA-N 2 1 341.500 1.634 20 30 EDEDMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C)cn2)CC1 ZINC000329225216 444506297 /nfs/dbraw/zinc/50/62/97/444506297.db2.gz GANWZLCEIDGVQN-INIZCTEOSA-N 2 1 331.464 1.774 20 30 EDEDMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC#CC[NH+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000342153841 444538187 /nfs/dbraw/zinc/53/81/87/444538187.db2.gz CJUHZASVLZBAOR-WMDIELAYSA-N 2 1 336.520 1.952 20 30 EDEDMP C[C@@H](O)[C@H]1C[C@H](C)CC[NH+]1CC#CC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000342153841 444538193 /nfs/dbraw/zinc/53/81/93/444538193.db2.gz CJUHZASVLZBAOR-WMDIELAYSA-N 2 1 336.520 1.952 20 30 EDEDMP C[C@@H](O)[C@H]1C[C@H](C)CC[NH+]1CC#CC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000342153841 444538194 /nfs/dbraw/zinc/53/81/94/444538194.db2.gz CJUHZASVLZBAOR-WMDIELAYSA-N 2 1 336.520 1.952 20 30 EDEDMP C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@H+]1C ZINC000329748588 444700321 /nfs/dbraw/zinc/70/03/21/444700321.db2.gz FMZCVSMFIZHUII-HZPDHXFCSA-N 2 1 338.496 1.618 20 30 EDEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC000329784016 444715657 /nfs/dbraw/zinc/71/56/57/444715657.db2.gz OYRHQRXDJWYPMI-OZSLIKBDSA-N 2 1 338.496 1.303 20 30 EDEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC000329784016 444715659 /nfs/dbraw/zinc/71/56/59/444715659.db2.gz OYRHQRXDJWYPMI-OZSLIKBDSA-N 2 1 338.496 1.303 20 30 EDEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC000329784016 444715663 /nfs/dbraw/zinc/71/56/63/444715663.db2.gz OYRHQRXDJWYPMI-OZSLIKBDSA-N 2 1 338.496 1.303 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)C2([NH+]3CCN(C)CC3)CCCC2)CC1 ZINC000370016748 446175043 /nfs/dbraw/zinc/17/50/43/446175043.db2.gz IJQYZTKJHKJSBF-UHFFFAOYSA-N 2 1 346.519 1.151 20 30 EDEDMP C[NH+]1CC[C@@]2(CCN(CC#CCN3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000366512257 446244551 /nfs/dbraw/zinc/24/45/51/446244551.db2.gz AHLSMANGPXCZAF-WOJBJXKFSA-N 2 1 330.520 1.045 20 30 EDEDMP C=CCN1CC[C@@H]([N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)C1=O ZINC000420982095 446956311 /nfs/dbraw/zinc/95/63/11/446956311.db2.gz OPXQMEVAJUXSPS-GOSISDBHSA-N 2 1 334.508 1.265 20 30 EDEDMP C=CCCCS(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000489244264 447853716 /nfs/dbraw/zinc/85/37/16/447853716.db2.gz ZJIRHZQGRBXMOB-INIZCTEOSA-N 2 1 331.526 1.630 20 30 EDEDMP C=CCCCS(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000489244264 447853717 /nfs/dbraw/zinc/85/37/17/447853717.db2.gz ZJIRHZQGRBXMOB-INIZCTEOSA-N 2 1 331.526 1.630 20 30 EDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583084225 448420536 /nfs/dbraw/zinc/42/05/36/448420536.db2.gz FNMRWYVQXOYNIS-KRWDZBQOSA-N 2 1 342.447 1.534 20 30 EDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583084225 448420541 /nfs/dbraw/zinc/42/05/41/448420541.db2.gz FNMRWYVQXOYNIS-KRWDZBQOSA-N 2 1 342.447 1.534 20 30 EDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000594441228 449519146 /nfs/dbraw/zinc/51/91/46/449519146.db2.gz OZVMVYPHFARKCU-GOSISDBHSA-N 2 1 344.459 1.546 20 30 EDEDMP N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCOCC1 ZINC000599300080 449874227 /nfs/dbraw/zinc/87/42/27/449874227.db2.gz MJLUQUROFKRREZ-QZTJIDSGSA-N 2 1 335.492 1.866 20 30 EDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640924537 451692626 /nfs/dbraw/zinc/69/26/26/451692626.db2.gz WBQDFENWUUAWOG-OAHLLOKOSA-N 2 1 348.495 1.229 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccccc2)C1 ZINC000264064820 535548946 /nfs/dbraw/zinc/54/89/46/535548946.db2.gz ASFYJCOSOWCAMC-SJLPKXTDSA-N 2 1 329.492 1.902 20 30 EDEDMP C#Cc1ccc(C[NH+]2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 ZINC000895549928 591797319 /nfs/dbraw/zinc/79/73/19/591797319.db2.gz CGFRVBOTYOZLCT-UHFFFAOYSA-N 2 1 325.456 1.974 20 30 EDEDMP C[NH+](C)CCOc1cc(-c2noc([C@H]([NH3+])CCCC#N)n2)ccn1 ZINC000822863763 594112995 /nfs/dbraw/zinc/11/29/95/594112995.db2.gz TXPLCNVPSNWYRH-CYBMUJFWSA-N 2 1 330.392 1.766 20 30 EDEDMP C#CC[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000829769497 594259509 /nfs/dbraw/zinc/25/95/09/594259509.db2.gz WJIYJSVAOHSKRS-MSOLQXFVSA-N 2 1 335.492 1.195 20 30 EDEDMP C#CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000829769497 594259511 /nfs/dbraw/zinc/25/95/11/594259511.db2.gz WJIYJSVAOHSKRS-MSOLQXFVSA-N 2 1 335.492 1.195 20 30 EDEDMP C#CC[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000829769497 594259513 /nfs/dbraw/zinc/25/95/13/594259513.db2.gz WJIYJSVAOHSKRS-MSOLQXFVSA-N 2 1 335.492 1.195 20 30 EDEDMP CN(C)C(NCc1ccccc1)=[NH+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000849108137 595482974 /nfs/dbraw/zinc/48/29/74/595482974.db2.gz DWCXNUCAYZEYDB-UHFFFAOYSA-N 2 1 331.508 1.720 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(CC#N)ccn1 ZINC000871735982 596681540 /nfs/dbraw/zinc/68/15/40/596681540.db2.gz XALVOJFUNFEBIB-AWEZNQCLSA-N 2 1 332.452 1.541 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(CC#N)ccn1 ZINC000871735982 596681541 /nfs/dbraw/zinc/68/15/41/596681541.db2.gz XALVOJFUNFEBIB-AWEZNQCLSA-N 2 1 332.452 1.541 20 30 EDEDMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876739000 597315464 /nfs/dbraw/zinc/31/54/64/597315464.db2.gz BHVJGZYQEPVESS-VQIMIIECSA-N 2 1 340.471 1.982 20 30 EDEDMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876774639 597334964 /nfs/dbraw/zinc/33/49/64/597334964.db2.gz BOEUCONMILYDQN-YJBOKZPZSA-N 2 1 326.444 1.545 20 30 EDEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)CC[C@@H]21 ZINC000876900547 597376977 /nfs/dbraw/zinc/37/69/77/597376977.db2.gz KZGUFMSSQQPAKV-NEWSRXKRSA-N 2 1 338.455 1.688 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000941636450 701601961 /nfs/dbraw/zinc/60/19/61/701601961.db2.gz MPWKDVMAJBXBNF-QZTJIDSGSA-N 2 1 348.535 1.511 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091713 701135308 /nfs/dbraw/zinc/13/53/08/701135308.db2.gz YBWVTQKWPWYVOW-KRWDZBQOSA-N 2 1 345.491 1.298 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)C1 ZINC000996618513 702925244 /nfs/dbraw/zinc/92/52/44/702925244.db2.gz XLJZAZWHPWRRJM-ROUUACIJSA-N 2 1 340.471 1.837 20 30 EDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942521270 703023177 /nfs/dbraw/zinc/02/31/77/703023177.db2.gz SLEJMCAZWFWLIP-JKSUJKDBSA-N 2 1 328.460 1.612 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942521270 703023180 /nfs/dbraw/zinc/02/31/80/703023180.db2.gz SLEJMCAZWFWLIP-JKSUJKDBSA-N 2 1 328.460 1.612 20 30 EDEDMP C#CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996802914 703093080 /nfs/dbraw/zinc/09/30/80/703093080.db2.gz NNGVUIQPOTUWMK-LMDPOFIKSA-N 2 1 346.519 1.006 20 30 EDEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997437007 703665708 /nfs/dbraw/zinc/66/57/08/703665708.db2.gz UJJSXBSTOXIUDF-AEFFLSMTSA-N 2 1 337.508 1.890 20 30 EDEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997437007 703665709 /nfs/dbraw/zinc/66/57/09/703665709.db2.gz UJJSXBSTOXIUDF-AEFFLSMTSA-N 2 1 337.508 1.890 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cc(C)no3)CC2)CC1 ZINC001004207580 703966532 /nfs/dbraw/zinc/96/65/32/703966532.db2.gz GXKDJAMXRGAGJB-UHFFFAOYSA-N 2 1 344.459 1.409 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(Nc2ccccn2)CC1 ZINC000922629626 704160321 /nfs/dbraw/zinc/16/03/21/704160321.db2.gz XNPAMLQYLRTJFU-UHFFFAOYSA-N 2 1 329.448 1.623 20 30 EDEDMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)CC1 ZINC001032602552 705404196 /nfs/dbraw/zinc/40/41/96/705404196.db2.gz SRBDJJSPFDCFQJ-OALUTQOASA-N 2 1 338.455 1.685 20 30 EDEDMP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)CC1 ZINC001032602552 705404198 /nfs/dbraw/zinc/40/41/98/705404198.db2.gz SRBDJJSPFDCFQJ-OALUTQOASA-N 2 1 338.455 1.685 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000998271255 705651038 /nfs/dbraw/zinc/65/10/38/705651038.db2.gz FNGFCWZGNNVPTJ-HNNXBMFYSA-N 2 1 346.500 1.900 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000998720136 706152754 /nfs/dbraw/zinc/15/27/54/706152754.db2.gz IIAMQOYNOCFIIZ-AEFFLSMTSA-N 2 1 344.434 1.872 20 30 EDEDMP N#Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)c1 ZINC000999318372 706826333 /nfs/dbraw/zinc/82/63/33/706826333.db2.gz RXVZRZYWNRWXJD-SFHVURJKSA-N 2 1 337.427 1.995 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccnc2C)C1 ZINC000999391244 706904046 /nfs/dbraw/zinc/90/40/46/706904046.db2.gz JKVFILPUFBKNDN-OALUTQOASA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccnc2C)C1 ZINC000999391244 706904047 /nfs/dbraw/zinc/90/40/47/706904047.db2.gz JKVFILPUFBKNDN-OALUTQOASA-N 2 1 340.471 1.568 20 30 EDEDMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000999401943 706910371 /nfs/dbraw/zinc/91/03/71/706910371.db2.gz BSGROZFZZUXUAH-VNCLNFNDSA-N 2 1 340.471 1.979 20 30 EDEDMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001033420384 707830664 /nfs/dbraw/zinc/83/06/64/707830664.db2.gz OSKWVUBYUTXVGS-APWZRJJASA-N 2 1 340.471 1.933 20 30 EDEDMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001033420384 707830667 /nfs/dbraw/zinc/83/06/67/707830667.db2.gz OSKWVUBYUTXVGS-APWZRJJASA-N 2 1 340.471 1.933 20 30 EDEDMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001033420384 707830668 /nfs/dbraw/zinc/83/06/68/707830668.db2.gz OSKWVUBYUTXVGS-APWZRJJASA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033662252 708477201 /nfs/dbraw/zinc/47/72/01/708477201.db2.gz POUGNBHUSQCHEZ-QZTJIDSGSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033662252 708477203 /nfs/dbraw/zinc/47/72/03/708477203.db2.gz POUGNBHUSQCHEZ-QZTJIDSGSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033662252 708477206 /nfs/dbraw/zinc/47/72/06/708477206.db2.gz POUGNBHUSQCHEZ-QZTJIDSGSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033662252 708477208 /nfs/dbraw/zinc/47/72/08/708477208.db2.gz POUGNBHUSQCHEZ-QZTJIDSGSA-N 2 1 326.444 1.543 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCOC3CCC3)C2)CC1 ZINC001033684037 708495992 /nfs/dbraw/zinc/49/59/92/708495992.db2.gz CFODDAWIMPGFBP-GOSISDBHSA-N 2 1 347.503 1.433 20 30 EDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001005427681 708982845 /nfs/dbraw/zinc/98/28/45/708982845.db2.gz YIBHBCDQFQCKEH-ROUUACIJSA-N 2 1 335.492 1.739 20 30 EDEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033905909 709033932 /nfs/dbraw/zinc/03/39/32/709033932.db2.gz MTYKWCGZGURTCF-VIHIWDAPSA-N 2 1 333.476 1.349 20 30 EDEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033905909 709033935 /nfs/dbraw/zinc/03/39/35/709033935.db2.gz MTYKWCGZGURTCF-VIHIWDAPSA-N 2 1 333.476 1.349 20 30 EDEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033905909 709033938 /nfs/dbraw/zinc/03/39/38/709033938.db2.gz MTYKWCGZGURTCF-VIHIWDAPSA-N 2 1 333.476 1.349 20 30 EDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001005497617 709245196 /nfs/dbraw/zinc/24/51/96/709245196.db2.gz OEDHYIPIRDDFQA-GOSISDBHSA-N 2 1 335.492 1.739 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034241242 709626872 /nfs/dbraw/zinc/62/68/72/709626872.db2.gz PPQYWWRERCOQAK-HKUYNNGSSA-N 2 1 347.503 1.624 20 30 EDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034241242 709626873 /nfs/dbraw/zinc/62/68/73/709626873.db2.gz PPQYWWRERCOQAK-HKUYNNGSSA-N 2 1 347.503 1.624 20 30 EDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034241242 709626874 /nfs/dbraw/zinc/62/68/74/709626874.db2.gz PPQYWWRERCOQAK-HKUYNNGSSA-N 2 1 347.503 1.624 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003055647 709904866 /nfs/dbraw/zinc/90/48/66/709904866.db2.gz JWDNCFXWDMSCJP-MJGOQNOKSA-N 2 1 347.503 1.481 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003055647 709904869 /nfs/dbraw/zinc/90/48/69/709904869.db2.gz JWDNCFXWDMSCJP-MJGOQNOKSA-N 2 1 347.503 1.481 20 30 EDEDMP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC001003966468 711103942 /nfs/dbraw/zinc/10/39/42/711103942.db2.gz CCSRTINFQMKEHQ-LJQANCHMSA-N 2 1 339.483 1.961 20 30 EDEDMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC001003966468 711103943 /nfs/dbraw/zinc/10/39/43/711103943.db2.gz CCSRTINFQMKEHQ-LJQANCHMSA-N 2 1 339.483 1.961 20 30 EDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005741513 711315796 /nfs/dbraw/zinc/31/57/96/711315796.db2.gz MAUYDBNXGCLEHU-IPCDKGFNSA-N 2 1 347.503 1.739 20 30 EDEDMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC001004145895 711555871 /nfs/dbraw/zinc/55/58/71/711555871.db2.gz WNQUYXUMGHNGAH-OAHLLOKOSA-N 2 1 344.434 1.730 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC001004145895 711555872 /nfs/dbraw/zinc/55/58/72/711555872.db2.gz WNQUYXUMGHNGAH-OAHLLOKOSA-N 2 1 344.434 1.730 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCCc2ccccc21 ZINC000264083162 249331989 /nfs/dbraw/zinc/33/19/89/249331989.db2.gz IDKXRIZHHIMBIQ-QGZVFWFLSA-N 2 1 330.476 1.733 20 30 EDEDMP COc1ccc(CNC(=[NH2+])NCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000264098440 249334357 /nfs/dbraw/zinc/33/43/57/249334357.db2.gz NBMIVWHWKIRHKH-CQSZACIVSA-N 2 1 334.464 1.983 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171707365 442372972 /nfs/dbraw/zinc/37/29/72/442372972.db2.gz FTQRXSVBEXSXBW-IYBDPMFKSA-N 2 1 338.496 1.435 20 30 EDEDMP CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261975427 443177466 /nfs/dbraw/zinc/17/74/66/443177466.db2.gz NOYNXPIURONBFS-DOMZBBRYSA-N 2 1 346.504 1.934 20 30 EDEDMP C=CCc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(OC)c1O ZINC000262126393 443184053 /nfs/dbraw/zinc/18/40/53/443184053.db2.gz NBRNQZIUPHWJKP-QGZVFWFLSA-N 2 1 331.460 1.609 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185735931 443247663 /nfs/dbraw/zinc/24/76/63/443247663.db2.gz NDFLHWPLAGIRDG-KKUMJFAQSA-N 2 1 336.480 1.629 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185735931 443247666 /nfs/dbraw/zinc/24/76/66/443247666.db2.gz NDFLHWPLAGIRDG-KKUMJFAQSA-N 2 1 336.480 1.629 20 30 EDEDMP COC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264091701 443248429 /nfs/dbraw/zinc/24/84/29/443248429.db2.gz LDCUJPMGVWMSPT-WMZOPIPTSA-N 2 1 347.507 1.304 20 30 EDEDMP COC[C@H](C)NC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000264091701 443248436 /nfs/dbraw/zinc/24/84/36/443248436.db2.gz LDCUJPMGVWMSPT-WMZOPIPTSA-N 2 1 347.507 1.304 20 30 EDEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCCC[NH+](C)C)CC1=O ZINC000299499602 444064184 /nfs/dbraw/zinc/06/41/84/444064184.db2.gz LSCZZEGNQIQDLU-UHFFFAOYSA-N 2 1 341.459 1.988 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000295009613 444163511 /nfs/dbraw/zinc/16/35/11/444163511.db2.gz MPTOEFSOMVKKAZ-OAHLLOKOSA-N 2 1 347.459 1.966 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000295009613 444163513 /nfs/dbraw/zinc/16/35/13/444163513.db2.gz MPTOEFSOMVKKAZ-OAHLLOKOSA-N 2 1 347.459 1.966 20 30 EDEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000304464191 444249514 /nfs/dbraw/zinc/24/95/14/444249514.db2.gz AVZXYMCRMWDEKF-KRWDZBQOSA-N 2 1 345.491 1.442 20 30 EDEDMP CN1CCC[N@H+](CCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000304464191 444249516 /nfs/dbraw/zinc/24/95/16/444249516.db2.gz AVZXYMCRMWDEKF-KRWDZBQOSA-N 2 1 345.491 1.442 20 30 EDEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000304464191 444249518 /nfs/dbraw/zinc/24/95/18/444249518.db2.gz AVZXYMCRMWDEKF-KRWDZBQOSA-N 2 1 345.491 1.442 20 30 EDEDMP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000328811284 444361289 /nfs/dbraw/zinc/36/12/89/444361289.db2.gz FEJVIFJOZFJTOR-SJORKVTESA-N 2 1 337.512 1.143 20 30 EDEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000329362861 444549912 /nfs/dbraw/zinc/54/99/12/444549912.db2.gz JAKTXSZTYIXYBX-AWEZNQCLSA-N 2 1 325.501 1.045 20 30 EDEDMP CC[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC[NH+]1C[C@H](C)O ZINC000329750372 444701005 /nfs/dbraw/zinc/70/10/05/444701005.db2.gz IBTLGHPGYDKCDU-LJIGWXMPSA-N 2 1 338.496 1.160 20 30 EDEDMP CC[C@@H]1CN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC[NH+]1C[C@H](C)O ZINC000329750372 444701011 /nfs/dbraw/zinc/70/10/11/444701011.db2.gz IBTLGHPGYDKCDU-LJIGWXMPSA-N 2 1 338.496 1.160 20 30 EDEDMP C[C@H]1COCCN1CCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000337129941 444954271 /nfs/dbraw/zinc/95/42/71/444954271.db2.gz JJGVCHBFFYVSGB-KRWDZBQOSA-N 2 1 328.460 1.397 20 30 EDEDMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000330828619 445157274 /nfs/dbraw/zinc/15/72/74/445157274.db2.gz GFWFBROQJJFREX-CABCVRRESA-N 2 1 326.485 1.162 20 30 EDEDMP CC(C)(C)OC(=O)N1CCN2C(NCC[N@H+]3CC=CCC3)=[NH+]C[C@@H]2C1 ZINC000366861264 446386390 /nfs/dbraw/zinc/38/63/90/446386390.db2.gz DVWREQPQNGZSHP-OAHLLOKOSA-N 2 1 349.479 1.129 20 30 EDEDMP CC(C)(C)OC(=O)N1CCN2C(NCC[N@@H+]3CC=CCC3)=[NH+]C[C@@H]2C1 ZINC000366861264 446386394 /nfs/dbraw/zinc/38/63/94/446386394.db2.gz DVWREQPQNGZSHP-OAHLLOKOSA-N 2 1 349.479 1.129 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000491376388 448008273 /nfs/dbraw/zinc/00/82/73/448008273.db2.gz ZWIRTIRPBMKKON-HDICACEKSA-N 2 1 336.524 1.999 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000491376388 448008276 /nfs/dbraw/zinc/00/82/76/448008276.db2.gz ZWIRTIRPBMKKON-HDICACEKSA-N 2 1 336.524 1.999 20 30 EDEDMP N#Cc1cccc(NC(=O)CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595864242 449216660 /nfs/dbraw/zinc/21/66/60/449216660.db2.gz RFQVWTTUOARHRG-SFHVURJKSA-N 2 1 342.443 1.418 20 30 EDEDMP N#Cc1cccc(NC(=O)CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000595864242 449216663 /nfs/dbraw/zinc/21/66/63/449216663.db2.gz RFQVWTTUOARHRG-SFHVURJKSA-N 2 1 342.443 1.418 20 30 EDEDMP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000590604635 449216655 /nfs/dbraw/zinc/21/66/55/449216655.db2.gz LLPSWPLQRNIPAW-IBGZPJMESA-N 2 1 330.476 1.377 20 30 EDEDMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000590604635 449216659 /nfs/dbraw/zinc/21/66/59/449216659.db2.gz LLPSWPLQRNIPAW-IBGZPJMESA-N 2 1 330.476 1.377 20 30 EDEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600720917 449517000 /nfs/dbraw/zinc/51/70/00/449517000.db2.gz RNZBNMMKDWQXPL-YOEHRIQHSA-N 2 1 328.416 1.729 20 30 EDEDMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000602878390 449887104 /nfs/dbraw/zinc/88/71/04/449887104.db2.gz RCFIHHYKKARBOS-SFHVURJKSA-N 2 1 343.471 1.910 20 30 EDEDMP C=CC[C@]1(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCC[NH2+]1 ZINC000662789861 453523677 /nfs/dbraw/zinc/52/36/77/453523677.db2.gz DVVPJUIHKZXIOV-IEBWSBKVSA-N 2 1 334.508 1.313 20 30 EDEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821103 527016359 /nfs/dbraw/zinc/01/63/59/527016359.db2.gz UVVBDXPKSPPRCJ-MRXNPFEDSA-N 2 1 328.460 1.758 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@H]1c2ccccc2NC1=O ZINC000245900900 535548542 /nfs/dbraw/zinc/54/85/42/535548542.db2.gz KRWNALLYQCDZOK-HIFRSBDPSA-N 2 1 329.448 1.501 20 30 EDEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CC[NH+](C)[C@@H]3C)n2)CC[N@H+]1C ZINC000895737757 591265104 /nfs/dbraw/zinc/26/51/04/591265104.db2.gz YBJLIXBPUVOUBQ-XOUADPBQSA-N 2 1 328.464 1.962 20 30 EDEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CC[N@H+](C)[C@@H]3C)n2)CC[NH+]1C ZINC000895737757 591265106 /nfs/dbraw/zinc/26/51/06/591265106.db2.gz YBJLIXBPUVOUBQ-XOUADPBQSA-N 2 1 328.464 1.962 20 30 EDEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@H]3CC[N@@H+](C)[C@@H]3C)n2)CC[NH+]1C ZINC000895737757 591265108 /nfs/dbraw/zinc/26/51/08/591265108.db2.gz YBJLIXBPUVOUBQ-XOUADPBQSA-N 2 1 328.464 1.962 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000901067707 592211702 /nfs/dbraw/zinc/21/17/02/592211702.db2.gz NKZOXZUVVRREAU-GOSISDBHSA-N 2 1 331.460 1.030 20 30 EDEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC3(C#N)CC3)C2)[C@@H]1C(C)C ZINC000905501895 592546077 /nfs/dbraw/zinc/54/60/77/592546077.db2.gz IENXDIIFJUSBRY-ATIFRJIPSA-N 2 1 335.492 1.501 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000846444746 595234444 /nfs/dbraw/zinc/23/44/44/595234444.db2.gz WLSGQSUNJHMTQH-RTBURBONSA-N 2 1 343.471 1.606 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000852856803 595578021 /nfs/dbraw/zinc/57/80/21/595578021.db2.gz GEEUWRASXCHWKB-UHFFFAOYSA-N 2 1 325.456 1.376 20 30 EDEDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852884203 595597463 /nfs/dbraw/zinc/59/74/63/595597463.db2.gz GSSVUPYAKXYBFK-LPHOPBHVSA-N 2 1 325.456 1.626 20 30 EDEDMP C#CC[C@@H](COC)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000875922038 597036068 /nfs/dbraw/zinc/03/60/68/597036068.db2.gz AJJRNSAOFDPZIE-DLBZAZTESA-N 2 1 338.496 1.082 20 30 EDEDMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000877229141 597468981 /nfs/dbraw/zinc/46/89/81/597468981.db2.gz HXYFSALCSSHMHP-MSOLQXFVSA-N 2 1 344.459 1.333 20 30 EDEDMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000877229141 597468983 /nfs/dbraw/zinc/46/89/83/597468983.db2.gz HXYFSALCSSHMHP-MSOLQXFVSA-N 2 1 344.459 1.333 20 30 EDEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884190010 598020701 /nfs/dbraw/zinc/02/07/01/598020701.db2.gz SFYKZWLMNXXLAY-UIEBLEIFSA-N 2 1 332.492 1.610 20 30 EDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993365342 696013795 /nfs/dbraw/zinc/01/37/95/696013795.db2.gz MNGVGNRKSYSPAW-DLBZAZTESA-N 2 1 347.507 1.994 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3ccncc3)c2)[C@@H]1C ZINC000994106906 696535563 /nfs/dbraw/zinc/53/55/63/696535563.db2.gz AQNTWVDLXCCDED-YJBOKZPZSA-N 2 1 337.427 1.873 20 30 EDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000994106906 696535565 /nfs/dbraw/zinc/53/55/65/696535565.db2.gz AQNTWVDLXCCDED-YJBOKZPZSA-N 2 1 337.427 1.873 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001031740825 698312357 /nfs/dbraw/zinc/31/23/57/698312357.db2.gz KWIZUPJMCPSXND-UXHICEINSA-N 2 1 337.467 1.820 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001031740825 698312358 /nfs/dbraw/zinc/31/23/58/698312358.db2.gz KWIZUPJMCPSXND-UXHICEINSA-N 2 1 337.467 1.820 20 30 EDEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639129 701602944 /nfs/dbraw/zinc/60/29/44/701602944.db2.gz NAEJMHMBRXPSEP-KRWDZBQOSA-N 2 1 334.508 1.123 20 30 EDEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677673 701616162 /nfs/dbraw/zinc/61/61/62/701616162.db2.gz SVRNOJRBOBFNEB-HDICACEKSA-N 2 1 348.535 1.654 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001031978243 701995160 /nfs/dbraw/zinc/99/51/60/701995160.db2.gz QVSUUKOYKAZLPX-KSSFIOAISA-N 2 1 326.444 1.304 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)C1 ZINC000996618117 702924929 /nfs/dbraw/zinc/92/49/29/702924929.db2.gz WJQCLNULAOKRDX-ROUUACIJSA-N 2 1 340.471 1.837 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccn(CC)n2)CC1 ZINC000996687584 702984907 /nfs/dbraw/zinc/98/49/07/702984907.db2.gz XRUHTIIDLLFZAS-SFHVURJKSA-N 2 1 343.475 1.081 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccn(CC)n2)CC1 ZINC000996687584 702984908 /nfs/dbraw/zinc/98/49/08/702984908.db2.gz XRUHTIIDLLFZAS-SFHVURJKSA-N 2 1 343.475 1.081 20 30 EDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942521267 703023112 /nfs/dbraw/zinc/02/31/12/703023112.db2.gz SLEJMCAZWFWLIP-CVEARBPZSA-N 2 1 328.460 1.612 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942521267 703023116 /nfs/dbraw/zinc/02/31/16/703023116.db2.gz SLEJMCAZWFWLIP-CVEARBPZSA-N 2 1 328.460 1.612 20 30 EDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946590662 704197668 /nfs/dbraw/zinc/19/76/68/704197668.db2.gz GGEHCGPDMVZAJW-OTWHNJEPSA-N 2 1 329.488 1.522 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CC(C)C2)CC1 ZINC000997831755 704749994 /nfs/dbraw/zinc/74/99/94/704749994.db2.gz LNAVGEWJFQHRHU-KVZIAJEVSA-N 2 1 331.504 1.958 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CC(C)C2)CC1 ZINC000997831755 704749995 /nfs/dbraw/zinc/74/99/95/704749995.db2.gz LNAVGEWJFQHRHU-KVZIAJEVSA-N 2 1 331.504 1.958 20 30 EDEDMP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944945216 704798284 /nfs/dbraw/zinc/79/82/84/704798284.db2.gz QABVQTJNNUMJAQ-QFBILLFUSA-N 2 1 340.471 1.981 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC000998264899 705631328 /nfs/dbraw/zinc/63/13/28/705631328.db2.gz COUMYOCCDBJICI-KBPBESRZSA-N 2 1 331.382 1.473 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC000998277102 705660378 /nfs/dbraw/zinc/66/03/78/705660378.db2.gz NKRHXJXQMFIQBV-ZIAGYGMSSA-N 2 1 345.409 1.863 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000998719633 706152070 /nfs/dbraw/zinc/15/20/70/706152070.db2.gz HDELFZAKPXHOGK-AEFFLSMTSA-N 2 1 344.434 1.872 20 30 EDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000998785442 706226167 /nfs/dbraw/zinc/22/61/67/706226167.db2.gz PKUPEZZGVCLZEU-MQBCKMQZSA-N 2 1 331.464 1.945 20 30 EDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000998785442 706226170 /nfs/dbraw/zinc/22/61/70/706226170.db2.gz PKUPEZZGVCLZEU-MQBCKMQZSA-N 2 1 331.464 1.945 20 30 EDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999353884 706842726 /nfs/dbraw/zinc/84/27/26/706842726.db2.gz OAQSADWQOFKMTN-WMZOPIPTSA-N 2 1 335.492 1.787 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2c(C)noc2C)C1 ZINC000999391293 706904490 /nfs/dbraw/zinc/90/44/90/706904490.db2.gz KCDJJHGIGDMERT-WMZOPIPTSA-N 2 1 344.459 1.470 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2snnc2C)C1 ZINC000999392111 706905343 /nfs/dbraw/zinc/90/53/43/706905343.db2.gz PTZBMLLQPUDJEG-GJZGRUSLSA-N 2 1 347.488 1.025 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2snnc2C)C1 ZINC000999392111 706905345 /nfs/dbraw/zinc/90/53/45/706905345.db2.gz PTZBMLLQPUDJEG-GJZGRUSLSA-N 2 1 347.488 1.025 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCOC2)CC1 ZINC001032800534 708081008 /nfs/dbraw/zinc/08/10/08/708081008.db2.gz MEKYAWHUPUBMSX-NEWSRXKRSA-N 2 1 345.487 1.043 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)NCC2=CC[N@H+](Cc3cccc(C#N)c3)CC2)C1 ZINC001001451945 708152879 /nfs/dbraw/zinc/15/28/79/708152879.db2.gz PNDPZAJIZBLREJ-IBGZPJMESA-N 2 1 338.455 1.758 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)NCC2=CC[N@@H+](Cc3cccc(C#N)c3)CC2)C1 ZINC001001451945 708152881 /nfs/dbraw/zinc/15/28/81/708152881.db2.gz PNDPZAJIZBLREJ-IBGZPJMESA-N 2 1 338.455 1.758 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033661025 708473904 /nfs/dbraw/zinc/47/39/04/708473904.db2.gz KACYMTNVDAYSGU-RDJZCZTQSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033661025 708473906 /nfs/dbraw/zinc/47/39/06/708473906.db2.gz KACYMTNVDAYSGU-RDJZCZTQSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001033661025 708473908 /nfs/dbraw/zinc/47/39/08/708473908.db2.gz KACYMTNVDAYSGU-RDJZCZTQSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001033661025 708473909 /nfs/dbraw/zinc/47/39/09/708473909.db2.gz KACYMTNVDAYSGU-RDJZCZTQSA-N 2 1 344.434 1.682 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)CC1 ZINC001033689467 708519151 /nfs/dbraw/zinc/51/91/51/708519151.db2.gz ZJBDDDRYKQHCHL-HKUYNNGSSA-N 2 1 347.503 1.291 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907167 709038638 /nfs/dbraw/zinc/03/86/38/709038638.db2.gz QSYUMQWBFUXFJL-NRGCRIOASA-N 2 1 347.503 1.739 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033907167 709038642 /nfs/dbraw/zinc/03/86/42/709038642.db2.gz QSYUMQWBFUXFJL-NRGCRIOASA-N 2 1 347.503 1.739 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033907167 709038645 /nfs/dbraw/zinc/03/86/45/709038645.db2.gz QSYUMQWBFUXFJL-NRGCRIOASA-N 2 1 347.503 1.739 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034006047 709247195 /nfs/dbraw/zinc/24/71/95/709247195.db2.gz ZTCZKXBVQNFLRJ-SFHVURJKSA-N 2 1 337.427 1.827 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034006047 709247196 /nfs/dbraw/zinc/24/71/96/709247196.db2.gz ZTCZKXBVQNFLRJ-SFHVURJKSA-N 2 1 337.427 1.827 20 30 EDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824408 709343881 /nfs/dbraw/zinc/34/38/81/709343881.db2.gz LOJZJIXQKGVRAK-KDURUIRLSA-N 2 1 349.519 1.845 20 30 EDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824408 709343884 /nfs/dbraw/zinc/34/38/84/709343884.db2.gz LOJZJIXQKGVRAK-KDURUIRLSA-N 2 1 349.519 1.845 20 30 EDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034210678 709560837 /nfs/dbraw/zinc/56/08/37/709560837.db2.gz RYPCNCYXHIMMCJ-MRXNPFEDSA-N 2 1 331.464 1.052 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccns2)CC1 ZINC001003057355 709892918 /nfs/dbraw/zinc/89/29/18/709892918.db2.gz YHDZCSWOJIOOAO-INIZCTEOSA-N 2 1 332.473 1.321 20 30 EDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005743247 711368328 /nfs/dbraw/zinc/36/83/28/711368328.db2.gz XZTSGCNKCBIVQP-URSIVYNOSA-N 2 1 333.476 1.349 20 30 EDEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245417224 139073454 /nfs/dbraw/zinc/07/34/54/139073454.db2.gz FVJZWNBIZVSGFZ-WDYCEAGBSA-N 2 1 331.460 1.960 20 30 EDEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245417224 139073455 /nfs/dbraw/zinc/07/34/55/139073455.db2.gz FVJZWNBIZVSGFZ-WDYCEAGBSA-N 2 1 331.460 1.960 20 30 EDEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245417224 139073456 /nfs/dbraw/zinc/07/34/56/139073456.db2.gz FVJZWNBIZVSGFZ-WDYCEAGBSA-N 2 1 331.460 1.960 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000376044027 250283827 /nfs/dbraw/zinc/28/38/27/250283827.db2.gz APPXYTIXGROPDK-INIZCTEOSA-N 2 1 333.476 1.043 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374318884 250258924 /nfs/dbraw/zinc/25/89/24/250258924.db2.gz SXWIMLRQVLFMAK-GJZGRUSLSA-N 2 1 348.491 1.583 20 30 EDEDMP C[N@@H+]1CC[C@@](O)(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000358251548 151318382 /nfs/dbraw/zinc/31/83/82/151318382.db2.gz MKGMYDYCXOKUJO-LJQANCHMSA-N 2 1 328.460 1.179 20 30 EDEDMP C[N@H+]1CC[C@@](O)(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000358251548 151318384 /nfs/dbraw/zinc/31/83/84/151318384.db2.gz MKGMYDYCXOKUJO-LJQANCHMSA-N 2 1 328.460 1.179 20 30 EDEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129136215 442302574 /nfs/dbraw/zinc/30/25/74/442302574.db2.gz ZDTKZSMURIMKHY-KRWDZBQOSA-N 2 1 342.443 1.541 20 30 EDEDMP C[NH+]=C(NCC(=O)Nc1ccccc1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261824647 443170972 /nfs/dbraw/zinc/17/09/72/443170972.db2.gz UXEWPFFMFGWTNR-XJKSGUPXSA-N 2 1 329.448 1.273 20 30 EDEDMP C=CC[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000262089809 443183349 /nfs/dbraw/zinc/18/33/49/443183349.db2.gz LHUIMYNYWLALRI-UHFFFAOYSA-N 2 1 332.404 1.405 20 30 EDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000264059061 443247186 /nfs/dbraw/zinc/24/71/86/443247186.db2.gz CEXHDCQEAWEAHK-PBHICJAKSA-N 2 1 334.464 1.771 20 30 EDEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000267424107 443452596 /nfs/dbraw/zinc/45/25/96/443452596.db2.gz LCRCOTLVZARLAU-UHFFFAOYSA-N 2 1 332.492 1.882 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000280484271 443724658 /nfs/dbraw/zinc/72/46/58/443724658.db2.gz AUZSSLUSGUTPFF-JKSUJKDBSA-N 2 1 336.867 1.823 20 30 EDEDMP CC(C)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)N1CCN(C)CC1 ZINC000288679823 443953022 /nfs/dbraw/zinc/95/30/22/443953022.db2.gz IOOCWJKCFZTHON-MRXNPFEDSA-N 2 1 339.434 1.963 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000295126711 444166454 /nfs/dbraw/zinc/16/64/54/444166454.db2.gz ZJPGTMTZVRTADB-AWEZNQCLSA-N 2 1 332.404 1.857 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000295126711 444166455 /nfs/dbraw/zinc/16/64/55/444166455.db2.gz ZJPGTMTZVRTADB-AWEZNQCLSA-N 2 1 332.404 1.857 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)[NH+]1CCc2sccc2C1 ZINC000296699227 444248559 /nfs/dbraw/zinc/24/85/59/444248559.db2.gz YWTXGDIEGDHLQJ-HNNXBMFYSA-N 2 1 348.516 1.749 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)[NH+]1CCc2sccc2C1 ZINC000296699227 444248560 /nfs/dbraw/zinc/24/85/60/444248560.db2.gz YWTXGDIEGDHLQJ-HNNXBMFYSA-N 2 1 348.516 1.749 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000296699227 444248561 /nfs/dbraw/zinc/24/85/61/444248561.db2.gz YWTXGDIEGDHLQJ-HNNXBMFYSA-N 2 1 348.516 1.749 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000296699227 444248562 /nfs/dbraw/zinc/24/85/62/444248562.db2.gz YWTXGDIEGDHLQJ-HNNXBMFYSA-N 2 1 348.516 1.749 20 30 EDEDMP COC[C@@H](C)NC(=[NH2+])NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000304753886 444253152 /nfs/dbraw/zinc/25/31/52/444253152.db2.gz LMLDCKPOCBAHGA-GFCCVEGCSA-N 2 1 337.468 1.443 20 30 EDEDMP C[N@@H+](CCO)C1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000330151872 444864604 /nfs/dbraw/zinc/86/46/04/444864604.db2.gz LRQNBOXZXZHOAU-UHFFFAOYSA-N 2 1 338.496 1.163 20 30 EDEDMP N#CC1(CCC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CCOCC1 ZINC000337131224 444955322 /nfs/dbraw/zinc/95/53/22/444955322.db2.gz JRIUJNXPBXSYEM-UHFFFAOYSA-N 2 1 348.491 1.327 20 30 EDEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000364348165 445912467 /nfs/dbraw/zinc/91/24/67/445912467.db2.gz QYRIDXPDNJQKIF-RCCFBDPRSA-N 2 1 335.492 1.666 20 30 EDEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000364348165 445912473 /nfs/dbraw/zinc/91/24/73/445912473.db2.gz QYRIDXPDNJQKIF-RCCFBDPRSA-N 2 1 335.492 1.666 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000487238963 447828542 /nfs/dbraw/zinc/82/85/42/447828542.db2.gz IECQLRSFTREJBP-SJLPKXTDSA-N 2 1 340.471 1.859 20 30 EDEDMP C[NH+]1CCN([C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)c2cccs2)CC1 ZINC000566146978 448395488 /nfs/dbraw/zinc/39/54/88/448395488.db2.gz WBVOZLHOSOETAU-CABCVRRESA-N 2 1 349.504 1.174 20 30 EDEDMP N#Cc1cccc(OCCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595868565 449220609 /nfs/dbraw/zinc/22/06/09/449220609.db2.gz QHSXLCHIHKIOKZ-GOSISDBHSA-N 2 1 329.444 1.858 20 30 EDEDMP N#Cc1cccc(OCCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000595868565 449220613 /nfs/dbraw/zinc/22/06/13/449220613.db2.gz QHSXLCHIHKIOKZ-GOSISDBHSA-N 2 1 329.444 1.858 20 30 EDEDMP N#Cc1cc(Cl)ccc1-n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000600976215 449629105 /nfs/dbraw/zinc/62/91/05/449629105.db2.gz PLCCNELGIJUXMH-UHFFFAOYSA-N 2 1 330.823 1.758 20 30 EDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000602543920 449663713 /nfs/dbraw/zinc/66/37/13/449663713.db2.gz MTWXONSZYVEYNL-CVEARBPZSA-N 2 1 336.480 1.262 20 30 EDEDMP N#Cc1c(NC(=O)CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)sc2c1CCC2 ZINC000609144308 449967985 /nfs/dbraw/zinc/96/79/85/449967985.db2.gz KTPRHMFEVKRZLS-VXGBXAGGSA-N 2 1 330.457 1.588 20 30 EDEDMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCc4cc(C#N)ccc43)cn2)CC1 ZINC000618742271 450288993 /nfs/dbraw/zinc/28/89/93/450288993.db2.gz LUGNYPOZIKYRGP-IBGZPJMESA-N 2 1 348.454 1.877 20 30 EDEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821102 527024338 /nfs/dbraw/zinc/02/43/38/527024338.db2.gz UVVBDXPKSPPRCJ-INIZCTEOSA-N 2 1 328.460 1.758 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCN(C)c2ccccc21 ZINC000245899403 535596970 /nfs/dbraw/zinc/59/69/70/535596970.db2.gz JUFQIVAHQZYKAM-CVEARBPZSA-N 2 1 329.492 1.999 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000900158335 591921077 /nfs/dbraw/zinc/92/10/77/591921077.db2.gz USRBTJOYGYRFIR-UHFFFAOYSA-N 2 1 330.476 1.433 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000907570646 592715414 /nfs/dbraw/zinc/71/54/14/592715414.db2.gz LAZHLKJLSMXDIZ-SFHVURJKSA-N 2 1 330.476 1.870 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2cccs2)CC1 ZINC000836488359 594968492 /nfs/dbraw/zinc/96/84/92/594968492.db2.gz VXEOHJMFSGKEMU-UHFFFAOYSA-N 2 1 334.489 1.530 20 30 EDEDMP N#Cc1cccc(C2([NH2+]C[C@@H](O)C[NH+]3CCCC3)CCOCC2)c1 ZINC000852562591 596198158 /nfs/dbraw/zinc/19/81/58/596198158.db2.gz CDPMCWTZGIWUAW-GOSISDBHSA-N 2 1 329.444 1.610 20 30 EDEDMP C=CCOc1ccccc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254563 596855923 /nfs/dbraw/zinc/85/59/23/596855923.db2.gz HUWAGMZEVQZSDU-JZXOWHBKSA-N 2 1 343.427 1.618 20 30 EDEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)CC[C@@H]21 ZINC000876900548 597377436 /nfs/dbraw/zinc/37/74/36/597377436.db2.gz KZGUFMSSQQPAKV-NZSAHSFTSA-N 2 1 338.455 1.688 20 30 EDEDMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876955958 597396302 /nfs/dbraw/zinc/39/63/02/597396302.db2.gz CUQQDNVNTGHMFW-MAUKXSAKSA-N 2 1 340.471 1.982 20 30 EDEDMP COc1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000877746630 597552547 /nfs/dbraw/zinc/55/25/47/597552547.db2.gz UQICVHIVSFSHQJ-UHFFFAOYSA-N 2 1 328.460 1.779 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941602821 701593270 /nfs/dbraw/zinc/59/32/70/701593270.db2.gz AGUBGXZHEAOWFO-MJGOQNOKSA-N 2 1 346.519 1.408 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940158065 700289868 /nfs/dbraw/zinc/28/98/68/700289868.db2.gz NIIUSOUWOCUKLF-INIZCTEOSA-N 2 1 341.459 1.045 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940158065 700289870 /nfs/dbraw/zinc/28/98/70/700289870.db2.gz NIIUSOUWOCUKLF-INIZCTEOSA-N 2 1 341.459 1.045 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H](C)COC)CC2(C)C)CC1 ZINC000941236847 701427586 /nfs/dbraw/zinc/42/75/86/701427586.db2.gz BOHMDDJJEBCQIA-AEFFLSMTSA-N 2 1 349.519 1.583 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccs2)CC1 ZINC000996684494 702982648 /nfs/dbraw/zinc/98/26/48/702982648.db2.gz JWZHSAQTPQWKFO-HNNXBMFYSA-N 2 1 332.473 1.321 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccs2)CC1 ZINC000996684494 702982649 /nfs/dbraw/zinc/98/26/49/702982649.db2.gz JWZHSAQTPQWKFO-HNNXBMFYSA-N 2 1 332.473 1.321 20 30 EDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408730 703436156 /nfs/dbraw/zinc/43/61/56/703436156.db2.gz FASKFSMWNDCQJE-OKYOBFRVSA-N 2 1 345.487 1.042 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cc(C#N)ccc3F)CC2)C1 ZINC000997296808 703555413 /nfs/dbraw/zinc/55/54/13/703555413.db2.gz BZBVXBPELDSXNH-HNNXBMFYSA-N 2 1 344.434 1.730 20 30 EDEDMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001015997963 703746049 /nfs/dbraw/zinc/74/60/49/703746049.db2.gz JRWJXXXLWVRXQR-QAPCUYQASA-N 2 1 326.444 1.591 20 30 EDEDMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001015997963 703746051 /nfs/dbraw/zinc/74/60/51/703746051.db2.gz JRWJXXXLWVRXQR-QAPCUYQASA-N 2 1 326.444 1.591 20 30 EDEDMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001015997963 703746053 /nfs/dbraw/zinc/74/60/53/703746053.db2.gz JRWJXXXLWVRXQR-QAPCUYQASA-N 2 1 326.444 1.591 20 30 EDEDMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001015997963 703746055 /nfs/dbraw/zinc/74/60/55/703746055.db2.gz JRWJXXXLWVRXQR-QAPCUYQASA-N 2 1 326.444 1.591 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1 ZINC000995550094 703929094 /nfs/dbraw/zinc/92/90/94/703929094.db2.gz HUPOQAPXUPZEAK-ROUUACIJSA-N 2 1 340.471 1.979 20 30 EDEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997691981 704564891 /nfs/dbraw/zinc/56/48/91/704564891.db2.gz PJIDYXIAQIYBAI-GBJJWRMUSA-N 2 1 347.503 1.642 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001040475563 705580954 /nfs/dbraw/zinc/58/09/54/705580954.db2.gz RUXVJTCKLUFNOL-HXUWFJFHSA-N 2 1 347.503 1.435 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C(F)(F)F ZINC000998313816 705729452 /nfs/dbraw/zinc/72/94/52/705729452.db2.gz MUPYKIRASOOBHK-GJZGRUSLSA-N 2 1 345.409 1.721 20 30 EDEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000998828211 706258732 /nfs/dbraw/zinc/25/87/32/706258732.db2.gz SJFCJXXDGVCEHM-CZUORRHYSA-N 2 1 348.472 1.031 20 30 EDEDMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000998828211 706258735 /nfs/dbraw/zinc/25/87/35/706258735.db2.gz SJFCJXXDGVCEHM-CZUORRHYSA-N 2 1 348.472 1.031 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000999389763 706902883 /nfs/dbraw/zinc/90/28/83/706902883.db2.gz BXNUVMYMVLNWJX-UXHICEINSA-N 2 1 339.483 1.907 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000999389763 706902886 /nfs/dbraw/zinc/90/28/86/706902886.db2.gz BXNUVMYMVLNWJX-UXHICEINSA-N 2 1 339.483 1.907 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001033297036 707409871 /nfs/dbraw/zinc/40/98/71/707409871.db2.gz FNGMSONPTXWJEU-MSOLQXFVSA-N 2 1 335.492 1.596 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999964189 707629870 /nfs/dbraw/zinc/62/98/70/707629870.db2.gz VXIYXAFDCZJNRE-IAGOWNOFSA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999964189 707629874 /nfs/dbraw/zinc/62/98/74/707629874.db2.gz VXIYXAFDCZJNRE-IAGOWNOFSA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999964189 707629877 /nfs/dbraw/zinc/62/98/77/707629877.db2.gz VXIYXAFDCZJNRE-IAGOWNOFSA-N 2 1 346.479 1.202 20 30 EDEDMP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999995180 707673519 /nfs/dbraw/zinc/67/35/19/707673519.db2.gz DRYYFTOEZVAMNR-IRXDYDNUSA-N 2 1 346.479 1.202 20 30 EDEDMP C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995180 707673520 /nfs/dbraw/zinc/67/35/20/707673520.db2.gz DRYYFTOEZVAMNR-IRXDYDNUSA-N 2 1 346.479 1.202 20 30 EDEDMP C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995180 707673521 /nfs/dbraw/zinc/67/35/21/707673521.db2.gz DRYYFTOEZVAMNR-IRXDYDNUSA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033488953 707982871 /nfs/dbraw/zinc/98/28/71/707982871.db2.gz BJIRAAWXWPGXTP-QGZVFWFLSA-N 2 1 333.480 1.557 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3ccon3)CC2)CC1 ZINC001002144448 708658026 /nfs/dbraw/zinc/65/80/26/708658026.db2.gz GFOYVVDDFIWXTK-UHFFFAOYSA-N 2 1 344.459 1.348 20 30 EDEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034003060 709241306 /nfs/dbraw/zinc/24/13/06/709241306.db2.gz FLXKBAOYPLZEOC-QGZVFWFLSA-N 2 1 325.416 1.990 20 30 EDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034003060 709241307 /nfs/dbraw/zinc/24/13/07/709241307.db2.gz FLXKBAOYPLZEOC-QGZVFWFLSA-N 2 1 325.416 1.990 20 30 EDEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319528 709769027 /nfs/dbraw/zinc/76/90/27/709769027.db2.gz IKHLOMXNQIQJAQ-DHADLLTHSA-N 2 1 333.476 1.396 20 30 EDEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034319528 709769031 /nfs/dbraw/zinc/76/90/31/709769031.db2.gz IKHLOMXNQIQJAQ-DHADLLTHSA-N 2 1 333.476 1.396 20 30 EDEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034319528 709769035 /nfs/dbraw/zinc/76/90/35/709769035.db2.gz IKHLOMXNQIQJAQ-DHADLLTHSA-N 2 1 333.476 1.396 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001034538357 710211227 /nfs/dbraw/zinc/21/12/27/710211227.db2.gz MTOAJIDLHGGYCU-AEFFLSMTSA-N 2 1 335.492 1.337 20 30 EDEDMP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001003626140 710455377 /nfs/dbraw/zinc/45/53/77/710455377.db2.gz NAWZNOFJGDDQOE-MRXNPFEDSA-N 2 1 340.471 1.981 20 30 EDEDMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001003626140 710455380 /nfs/dbraw/zinc/45/53/80/710455380.db2.gz NAWZNOFJGDDQOE-MRXNPFEDSA-N 2 1 340.471 1.981 20 30 EDEDMP N#Cc1ccc(C[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)s1 ZINC001004147494 711559319 /nfs/dbraw/zinc/55/93/19/711559319.db2.gz JCVBLQADCGJIIP-UHFFFAOYSA-N 2 1 332.473 1.796 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004483965 711875385 /nfs/dbraw/zinc/87/53/85/711875385.db2.gz WKONXBXYKNIMPU-SFHVURJKSA-N 2 1 329.488 1.951 20 30 EDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033144055 711972785 /nfs/dbraw/zinc/97/27/85/711972785.db2.gz QIWLTSGDKVITQE-MSOLQXFVSA-N 2 1 335.492 1.739 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033144055 711972787 /nfs/dbraw/zinc/97/27/87/711972787.db2.gz QIWLTSGDKVITQE-MSOLQXFVSA-N 2 1 335.492 1.739 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033144055 711972788 /nfs/dbraw/zinc/97/27/88/711972788.db2.gz QIWLTSGDKVITQE-MSOLQXFVSA-N 2 1 335.492 1.739 20 30 EDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC[C@@H]2C1 ZINC000946657343 712246973 /nfs/dbraw/zinc/24/69/73/712246973.db2.gz GTUXWDDZIIIRKQ-OTWHNJEPSA-N 2 1 331.504 1.910 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657343 712246975 /nfs/dbraw/zinc/24/69/75/712246975.db2.gz GTUXWDDZIIIRKQ-OTWHNJEPSA-N 2 1 331.504 1.910 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)CC[C@@H]2C1 ZINC000946657343 712246977 /nfs/dbraw/zinc/24/69/77/712246977.db2.gz GTUXWDDZIIIRKQ-OTWHNJEPSA-N 2 1 331.504 1.910 20 30 EDEDMP COc1ccc(CNC(=[NH2+])NC[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000264072944 249330710 /nfs/dbraw/zinc/33/07/10/249330710.db2.gz DQFOJRARCKOUFN-CQSZACIVSA-N 2 1 332.448 1.592 20 30 EDEDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCCC#N ZINC000354459896 250090691 /nfs/dbraw/zinc/09/06/91/250090691.db2.gz OBLKVANQZCVZPT-INIZCTEOSA-N 2 1 344.525 1.358 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCCC#N ZINC000354459896 250090695 /nfs/dbraw/zinc/09/06/95/250090695.db2.gz OBLKVANQZCVZPT-INIZCTEOSA-N 2 1 344.525 1.358 20 30 EDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1C#N ZINC000089674792 287321978 /nfs/dbraw/zinc/32/19/78/287321978.db2.gz IPWCPUJFDKREGH-XQQFMLRXSA-N 2 1 332.452 1.633 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000418530641 268218014 /nfs/dbraw/zinc/21/80/14/268218014.db2.gz VIEMREKPMCQTDI-UHFFFAOYSA-N 2 1 341.459 1.657 20 30 EDEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CC[N@H+](C)C2)CC1=O ZINC000153979533 442314603 /nfs/dbraw/zinc/31/46/03/442314603.db2.gz RVTXZWCRTKMHCL-ZDUSSCGKSA-N 2 1 339.443 1.598 20 30 EDEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CC[N@@H+](C)C2)CC1=O ZINC000153979533 442314605 /nfs/dbraw/zinc/31/46/05/442314605.db2.gz RVTXZWCRTKMHCL-ZDUSSCGKSA-N 2 1 339.443 1.598 20 30 EDEDMP C[NH+]=C(NCc1cn2ccccc2n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261864902 443172853 /nfs/dbraw/zinc/17/28/53/443172853.db2.gz ZVNJINNVFNUABW-CZUORRHYSA-N 2 1 326.448 1.482 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000278637607 443385619 /nfs/dbraw/zinc/38/56/19/443385619.db2.gz YWBSWHYOPWNXBH-GJZGRUSLSA-N 2 1 342.846 1.901 20 30 EDEDMP CC(C)c1ccccc1OCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267476513 443471269 /nfs/dbraw/zinc/47/12/69/443471269.db2.gz ZMCKJCCYMNHGAU-UHFFFAOYSA-N 2 1 348.491 1.815 20 30 EDEDMP C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)C1=O ZINC000286755688 443724479 /nfs/dbraw/zinc/72/44/79/443724479.db2.gz LZQSXKJUTZRMOG-CGTJXYLNSA-N 2 1 345.491 1.522 20 30 EDEDMP C=CCN1CC[C@@H](N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000286755688 443724482 /nfs/dbraw/zinc/72/44/82/443724482.db2.gz LZQSXKJUTZRMOG-CGTJXYLNSA-N 2 1 345.491 1.522 20 30 EDEDMP C=CCN1CC[C@@H](N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1=O ZINC000286755688 443724484 /nfs/dbraw/zinc/72/44/84/443724484.db2.gz LZQSXKJUTZRMOG-CGTJXYLNSA-N 2 1 345.491 1.522 20 30 EDEDMP CC(C)[C@H]1CN(CC#CCN2CC[N@@H+](C)[C@@H](C(C)C)C2)CC[NH+]1C ZINC000342127295 444522653 /nfs/dbraw/zinc/52/26/53/444522653.db2.gz KLGOUDOGGGNTJP-WOJBJXKFSA-N 2 1 334.552 1.534 20 30 EDEDMP C=CCOCC[N@@H+](C)C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339109240 445036081 /nfs/dbraw/zinc/03/60/81/445036081.db2.gz MMXKJRXGQKLQQQ-HUUCEWRRSA-N 2 1 337.443 1.594 20 30 EDEDMP C=CCOCC[N@H+](C)C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339109240 445036087 /nfs/dbraw/zinc/03/60/87/445036087.db2.gz MMXKJRXGQKLQQQ-HUUCEWRRSA-N 2 1 337.443 1.594 20 30 EDEDMP C=CCC[C@@H](O)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358869601 445822560 /nfs/dbraw/zinc/82/25/60/445822560.db2.gz FUDNNADIBNKYFT-FGTMMUONSA-N 2 1 340.508 1.904 20 30 EDEDMP C=CCC[C@@H](O)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358869601 445822563 /nfs/dbraw/zinc/82/25/63/445822563.db2.gz FUDNNADIBNKYFT-FGTMMUONSA-N 2 1 340.508 1.904 20 30 EDEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369956332 446170056 /nfs/dbraw/zinc/17/00/56/446170056.db2.gz AVRBTBRGECQYIY-FGTMMUONSA-N 2 1 337.508 1.890 20 30 EDEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369956332 446170059 /nfs/dbraw/zinc/17/00/59/446170059.db2.gz AVRBTBRGECQYIY-FGTMMUONSA-N 2 1 337.508 1.890 20 30 EDEDMP CN1CCN(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)C(=O)C1 ZINC000371638247 446941374 /nfs/dbraw/zinc/94/13/74/446941374.db2.gz PNWKYSKXEIMIQB-UHFFFAOYSA-N 2 1 345.874 1.930 20 30 EDEDMP C#CCNC(=O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000491495317 448043850 /nfs/dbraw/zinc/04/38/50/448043850.db2.gz IKXMJXIZGOCVIF-OALUTQOASA-N 2 1 325.456 1.580 20 30 EDEDMP C#CCNC(=O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000491495317 448043857 /nfs/dbraw/zinc/04/38/57/448043857.db2.gz IKXMJXIZGOCVIF-OALUTQOASA-N 2 1 325.456 1.580 20 30 EDEDMP C#CCNC(=O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000491495317 448043863 /nfs/dbraw/zinc/04/38/63/448043863.db2.gz IKXMJXIZGOCVIF-OALUTQOASA-N 2 1 325.456 1.580 20 30 EDEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000591729031 448475526 /nfs/dbraw/zinc/47/55/26/448475526.db2.gz UNANOIWYZOFAAW-PMACEKPBSA-N 2 1 344.503 1.695 20 30 EDEDMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590022909 449098587 /nfs/dbraw/zinc/09/85/87/449098587.db2.gz CIVHWUBFASVOHX-PKOBYXMFSA-N 2 1 329.444 1.520 20 30 EDEDMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590022909 449098591 /nfs/dbraw/zinc/09/85/91/449098591.db2.gz CIVHWUBFASVOHX-PKOBYXMFSA-N 2 1 329.444 1.520 20 30 EDEDMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590022909 449098594 /nfs/dbraw/zinc/09/85/94/449098594.db2.gz CIVHWUBFASVOHX-PKOBYXMFSA-N 2 1 329.444 1.520 20 30 EDEDMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590022909 449098598 /nfs/dbraw/zinc/09/85/98/449098598.db2.gz CIVHWUBFASVOHX-PKOBYXMFSA-N 2 1 329.444 1.520 20 30 EDEDMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590022907 449098661 /nfs/dbraw/zinc/09/86/61/449098661.db2.gz CIVHWUBFASVOHX-MJGOQNOKSA-N 2 1 329.444 1.520 20 30 EDEDMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590022907 449098663 /nfs/dbraw/zinc/09/86/63/449098663.db2.gz CIVHWUBFASVOHX-MJGOQNOKSA-N 2 1 329.444 1.520 20 30 EDEDMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590022907 449098665 /nfs/dbraw/zinc/09/86/65/449098665.db2.gz CIVHWUBFASVOHX-MJGOQNOKSA-N 2 1 329.444 1.520 20 30 EDEDMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590022907 449098667 /nfs/dbraw/zinc/09/86/67/449098667.db2.gz CIVHWUBFASVOHX-MJGOQNOKSA-N 2 1 329.444 1.520 20 30 EDEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000594441259 449519490 /nfs/dbraw/zinc/51/94/90/449519490.db2.gz PYFYQDOPZLJEJS-MRXNPFEDSA-N 2 1 334.489 1.846 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC#Cc1ccccc1 ZINC000663548357 452254325 /nfs/dbraw/zinc/25/43/25/452254325.db2.gz PBDYJYZNNJLXOX-KRWDZBQOSA-N 2 1 330.476 1.609 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC#Cc1ccccc1 ZINC000663548357 452254331 /nfs/dbraw/zinc/25/43/31/452254331.db2.gz PBDYJYZNNJLXOX-KRWDZBQOSA-N 2 1 330.476 1.609 20 30 EDEDMP C=CCCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)nn1 ZINC000657596564 452365333 /nfs/dbraw/zinc/36/53/33/452365333.db2.gz OGKCRGZYBUCMDQ-LJQANCHMSA-N 2 1 341.459 1.711 20 30 EDEDMP C=CCCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nn1 ZINC000657596564 452365343 /nfs/dbraw/zinc/36/53/43/452365343.db2.gz OGKCRGZYBUCMDQ-LJQANCHMSA-N 2 1 341.459 1.711 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1nc2ccccc2[nH]1 ZINC000104171602 529070487 /nfs/dbraw/zinc/07/04/87/529070487.db2.gz NALFNVKLZVFWAZ-CQSZACIVSA-N 2 1 328.464 1.884 20 30 EDEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCO[C@H](C)C#N)CC2)CC1 ZINC000801921136 581087980 /nfs/dbraw/zinc/08/79/80/581087980.db2.gz YXOVQSCITPIPFD-MRXNPFEDSA-N 2 1 336.480 1.181 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000900197674 591937347 /nfs/dbraw/zinc/93/73/47/591937347.db2.gz VMNGACTXPPBOJD-SFHVURJKSA-N 2 1 344.503 1.821 20 30 EDEDMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CCc2cccc(C#N)c2)cnn1C ZINC000903937069 592387501 /nfs/dbraw/zinc/38/75/01/592387501.db2.gz AOZIMDGUCWFPIK-SFHVURJKSA-N 2 1 325.460 1.892 20 30 EDEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819282859 593748333 /nfs/dbraw/zinc/74/83/33/593748333.db2.gz CJJZTFWHXUQICV-PMACEKPBSA-N 2 1 344.503 1.695 20 30 EDEDMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876762315 597328939 /nfs/dbraw/zinc/32/89/39/597328939.db2.gz FSORQBHFKYOIFN-VQIMIIECSA-N 2 1 340.471 1.839 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993984788 696482113 /nfs/dbraw/zinc/48/21/13/696482113.db2.gz IXSCAPAOECEJRA-RDJZCZTQSA-N 2 1 333.480 1.604 20 30 EDEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001031713639 697735543 /nfs/dbraw/zinc/73/55/43/697735543.db2.gz DBKRNARELVKBBD-IBGZPJMESA-N 2 1 340.471 1.981 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940751177 700889415 /nfs/dbraw/zinc/88/94/15/700889415.db2.gz NBAABBDBQLGCMD-KRWDZBQOSA-N 2 1 345.491 1.298 20 30 EDEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001040944981 702199195 /nfs/dbraw/zinc/19/91/95/702199195.db2.gz KYZLXZIPMJLSFM-SFHVURJKSA-N 2 1 349.519 1.988 20 30 EDEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001040944981 702199198 /nfs/dbraw/zinc/19/91/98/702199198.db2.gz KYZLXZIPMJLSFM-SFHVURJKSA-N 2 1 349.519 1.988 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000942445948 702941847 /nfs/dbraw/zinc/94/18/47/702941847.db2.gz YRHZFWQWIJRMGW-RDJZCZTQSA-N 2 1 337.427 1.731 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000997004189 703261304 /nfs/dbraw/zinc/26/13/04/703261304.db2.gz BXIFALVDUUPYMP-DNVCBOLYSA-N 2 1 340.471 1.837 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=C)Cl)C[C@@H]2C)CC1 ZINC000945180115 705212399 /nfs/dbraw/zinc/21/23/99/705212399.db2.gz KPOIERMYZYHDAQ-WMLDXEAASA-N 2 1 337.895 1.911 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=C)Cl)C[C@@H]2C)CC1 ZINC000945180115 705212401 /nfs/dbraw/zinc/21/24/01/705212401.db2.gz KPOIERMYZYHDAQ-WMLDXEAASA-N 2 1 337.895 1.911 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000999125124 706549744 /nfs/dbraw/zinc/54/97/44/706549744.db2.gz GWFYCYAEAIASIQ-UHFFFAOYSA-N 2 1 337.427 1.842 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000948706057 707509519 /nfs/dbraw/zinc/50/95/19/707509519.db2.gz STKCFDSWIDEZII-MSOLQXFVSA-N 2 1 337.508 1.985 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000948706057 707509521 /nfs/dbraw/zinc/50/95/21/707509521.db2.gz STKCFDSWIDEZII-MSOLQXFVSA-N 2 1 337.508 1.985 20 30 EDEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706057 707509524 /nfs/dbraw/zinc/50/95/24/707509524.db2.gz STKCFDSWIDEZII-MSOLQXFVSA-N 2 1 337.508 1.985 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706057 707509526 /nfs/dbraw/zinc/50/95/26/707509526.db2.gz STKCFDSWIDEZII-MSOLQXFVSA-N 2 1 337.508 1.985 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3ncc(C)o3)C2)CC1 ZINC000999868786 707509937 /nfs/dbraw/zinc/50/99/37/707509937.db2.gz BQPPZOCUKNGAQO-UHFFFAOYSA-N 2 1 344.459 1.407 20 30 EDEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001016255899 708147385 /nfs/dbraw/zinc/14/73/85/708147385.db2.gz OOQUJIMJHKOWSB-AEFFLSMTSA-N 2 1 329.419 1.319 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001016255899 708147387 /nfs/dbraw/zinc/14/73/87/708147387.db2.gz OOQUJIMJHKOWSB-AEFFLSMTSA-N 2 1 329.419 1.319 20 30 EDEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001016255899 708147389 /nfs/dbraw/zinc/14/73/89/708147389.db2.gz OOQUJIMJHKOWSB-AEFFLSMTSA-N 2 1 329.419 1.319 20 30 EDEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC001016255899 708147392 /nfs/dbraw/zinc/14/73/92/708147392.db2.gz OOQUJIMJHKOWSB-AEFFLSMTSA-N 2 1 329.419 1.319 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033661586 708474828 /nfs/dbraw/zinc/47/48/28/708474828.db2.gz LSKTWGUUDXMUQV-ZWKOTPCHSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033661586 708474829 /nfs/dbraw/zinc/47/48/29/708474829.db2.gz LSKTWGUUDXMUQV-ZWKOTPCHSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033661586 708474830 /nfs/dbraw/zinc/47/48/30/708474830.db2.gz LSKTWGUUDXMUQV-ZWKOTPCHSA-N 2 1 326.444 1.543 20 30 EDEDMP C#CCC[NH+]1CCC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001001976310 708491700 /nfs/dbraw/zinc/49/17/00/708491700.db2.gz ZVCLNYSJULYFJO-UHFFFAOYSA-N 2 1 337.427 1.732 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@H](CC)OC)C2)CC1 ZINC001033686062 708500370 /nfs/dbraw/zinc/50/03/70/708500370.db2.gz ZGNVQTGMYDFIHT-ROUUACIJSA-N 2 1 335.492 1.289 20 30 EDEDMP COC(=O)C[C@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@H]1CC(=O)OC ZINC000341900541 250002030 /nfs/dbraw/zinc/00/20/30/250002030.db2.gz ASDNUZLFIMHQHF-IYBDPMFKSA-N 2 1 336.432 1.045 20 30 EDEDMP COC(=O)C[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1CC(=O)OC ZINC000341900541 250002035 /nfs/dbraw/zinc/00/20/35/250002035.db2.gz ASDNUZLFIMHQHF-IYBDPMFKSA-N 2 1 336.432 1.045 20 30 EDEDMP COC(=O)C[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1CC(=O)OC ZINC000341900541 250002039 /nfs/dbraw/zinc/00/20/39/250002039.db2.gz ASDNUZLFIMHQHF-IYBDPMFKSA-N 2 1 336.432 1.045 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)oc1C ZINC000280754908 266146750 /nfs/dbraw/zinc/14/67/50/266146750.db2.gz MSYBVFVLPCWXPP-HNNXBMFYSA-N 2 1 332.448 1.948 20 30 EDEDMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccccc3C#N)C2)C1 ZINC000528513072 267338261 /nfs/dbraw/zinc/33/82/61/267338261.db2.gz PKWDONSFXLCVIJ-HKUYNNGSSA-N 2 1 329.444 1.716 20 30 EDEDMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccccc3C#N)C2)C1 ZINC000528513072 267338262 /nfs/dbraw/zinc/33/82/62/267338262.db2.gz PKWDONSFXLCVIJ-HKUYNNGSSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)C1 ZINC000528513072 267338263 /nfs/dbraw/zinc/33/82/63/267338263.db2.gz PKWDONSFXLCVIJ-HKUYNNGSSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)C1 ZINC000528513072 267338264 /nfs/dbraw/zinc/33/82/64/267338264.db2.gz PKWDONSFXLCVIJ-HKUYNNGSSA-N 2 1 329.444 1.716 20 30 EDEDMP N#CC1(NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCCCC1 ZINC000051957130 441428677 /nfs/dbraw/zinc/42/86/77/441428677.db2.gz HRZTXVIACBNEKQ-UHFFFAOYSA-N 2 1 348.491 1.373 20 30 EDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(c2cccs2)CC1 ZINC000261932422 443174831 /nfs/dbraw/zinc/17/48/31/443174831.db2.gz BPHWEGOWUDSLIS-UHFFFAOYSA-N 2 1 332.477 1.651 20 30 EDEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261945860 443175586 /nfs/dbraw/zinc/17/55/86/443175586.db2.gz FVERGKNIQKJAIZ-NVXWUHKLSA-N 2 1 343.475 1.594 20 30 EDEDMP C[NH+]=C(NCc1ccco1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000264034838 443246021 /nfs/dbraw/zinc/24/60/21/443246021.db2.gz FVVWXROTCAPKPX-UHFFFAOYSA-N 2 1 342.443 1.977 20 30 EDEDMP CCOC(=O)c1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000264116371 443249746 /nfs/dbraw/zinc/24/97/46/443249746.db2.gz SRSBEFKXEPRARL-MRXNPFEDSA-N 2 1 332.448 1.752 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc2c(c1)OCO2 ZINC000264128433 443250427 /nfs/dbraw/zinc/25/04/27/443250427.db2.gz XCWYOIAYWVXNAN-CYBMUJFWSA-N 2 1 334.420 1.183 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000293885064 444094445 /nfs/dbraw/zinc/09/44/45/444094445.db2.gz DAPLEBKMIZSQTI-GOSISDBHSA-N 2 1 331.435 1.861 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000293885064 444094450 /nfs/dbraw/zinc/09/44/50/444094450.db2.gz DAPLEBKMIZSQTI-GOSISDBHSA-N 2 1 331.435 1.861 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000293885064 444094455 /nfs/dbraw/zinc/09/44/55/444094455.db2.gz DAPLEBKMIZSQTI-GOSISDBHSA-N 2 1 331.435 1.861 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000293885064 444094458 /nfs/dbraw/zinc/09/44/58/444094458.db2.gz DAPLEBKMIZSQTI-GOSISDBHSA-N 2 1 331.435 1.861 20 30 EDEDMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329901399 444760222 /nfs/dbraw/zinc/76/02/22/444760222.db2.gz GWSOWYPPVUYFEF-JKSUJKDBSA-N 2 1 333.480 1.927 20 30 EDEDMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329901399 444760226 /nfs/dbraw/zinc/76/02/26/444760226.db2.gz GWSOWYPPVUYFEF-JKSUJKDBSA-N 2 1 333.480 1.927 20 30 EDEDMP C=CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000347136101 445232694 /nfs/dbraw/zinc/23/26/94/445232694.db2.gz TZWRLPFUTFDKOO-GOSISDBHSA-N 2 1 343.471 1.895 20 30 EDEDMP Cc1cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000348918934 445440244 /nfs/dbraw/zinc/44/02/44/445440244.db2.gz DZURUMGOLKUJGX-UHFFFAOYSA-N 2 1 340.471 1.853 20 30 EDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000350181762 445788432 /nfs/dbraw/zinc/78/84/32/445788432.db2.gz RBJXKYVDXZUJJK-SFHVURJKSA-N 2 1 344.459 1.929 20 30 EDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000350181762 445788438 /nfs/dbraw/zinc/78/84/38/445788438.db2.gz RBJXKYVDXZUJJK-SFHVURJKSA-N 2 1 344.459 1.929 20 30 EDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000350181280 445788514 /nfs/dbraw/zinc/78/85/14/445788514.db2.gz MZUPDRDCAYXYTM-SFHVURJKSA-N 2 1 344.459 1.929 20 30 EDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000350181280 445788518 /nfs/dbraw/zinc/78/85/18/445788518.db2.gz MZUPDRDCAYXYTM-SFHVURJKSA-N 2 1 344.459 1.929 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000365527866 446241585 /nfs/dbraw/zinc/24/15/85/446241585.db2.gz NMUWEYCTJNRRSF-HXUWFJFHSA-N 2 1 343.471 1.993 20 30 EDEDMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000373529036 446249431 /nfs/dbraw/zinc/24/94/31/446249431.db2.gz KRPSMUCVNBKZTQ-UZLBHIALSA-N 2 1 342.487 1.692 20 30 EDEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000377492868 447162795 /nfs/dbraw/zinc/16/27/95/447162795.db2.gz XLUWKQOUIFZJFX-HZPDHXFCSA-N 2 1 329.448 1.884 20 30 EDEDMP C#CCNC(=O)CC[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000491568260 448059209 /nfs/dbraw/zinc/05/92/09/448059209.db2.gz PVPAVNCXABAYHS-IBGZPJMESA-N 2 1 342.487 1.094 20 30 EDEDMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000578303406 448509569 /nfs/dbraw/zinc/50/95/69/448509569.db2.gz BYWCVJKLDHWIBS-NVXWUHKLSA-N 2 1 330.480 1.897 20 30 EDEDMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000578303406 448509575 /nfs/dbraw/zinc/50/95/75/448509575.db2.gz BYWCVJKLDHWIBS-NVXWUHKLSA-N 2 1 330.480 1.897 20 30 EDEDMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000578303407 448509650 /nfs/dbraw/zinc/50/96/50/448509650.db2.gz BYWCVJKLDHWIBS-RDJZCZTQSA-N 2 1 330.480 1.897 20 30 EDEDMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000578303407 448509651 /nfs/dbraw/zinc/50/96/51/448509651.db2.gz BYWCVJKLDHWIBS-RDJZCZTQSA-N 2 1 330.480 1.897 20 30 EDEDMP N#CCN1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000601963111 449249085 /nfs/dbraw/zinc/24/90/85/449249085.db2.gz CAIHLTGDPTYNMF-IBGZPJMESA-N 2 1 328.460 1.201 20 30 EDEDMP N#CCN1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000601963111 449249087 /nfs/dbraw/zinc/24/90/87/449249087.db2.gz CAIHLTGDPTYNMF-IBGZPJMESA-N 2 1 328.460 1.201 20 30 EDEDMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595949222 449275450 /nfs/dbraw/zinc/27/54/50/449275450.db2.gz YMHJDYWVOTWMJH-MSOLQXFVSA-N 2 1 328.460 1.783 20 30 EDEDMP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000598730432 449567827 /nfs/dbraw/zinc/56/78/27/449567827.db2.gz VIDUFENCWSSANH-QYZOEREBSA-N 2 1 345.487 1.760 20 30 EDEDMP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000598730432 449567830 /nfs/dbraw/zinc/56/78/30/449567830.db2.gz VIDUFENCWSSANH-QYZOEREBSA-N 2 1 345.487 1.760 20 30 EDEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599305220 449877153 /nfs/dbraw/zinc/87/71/53/449877153.db2.gz WEVBWFAFBKHUNQ-ROUUACIJSA-N 2 1 335.492 1.721 20 30 EDEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599305220 449877161 /nfs/dbraw/zinc/87/71/61/449877161.db2.gz WEVBWFAFBKHUNQ-ROUUACIJSA-N 2 1 335.492 1.721 20 30 EDEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599305220 449877169 /nfs/dbraw/zinc/87/71/69/449877169.db2.gz WEVBWFAFBKHUNQ-ROUUACIJSA-N 2 1 335.492 1.721 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCC2CC2)nc1 ZINC000264064993 535549040 /nfs/dbraw/zinc/54/90/40/535549040.db2.gz AVLJWYHIUAYUMN-MRXNPFEDSA-N 2 1 331.464 1.759 20 30 EDEDMP C#C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000775793701 580400827 /nfs/dbraw/zinc/40/08/27/580400827.db2.gz NCCXTXYAEWJYBY-KSZLIROESA-N 2 1 329.444 1.176 20 30 EDEDMP N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[NH2+]CC[NH2+]CC1 ZINC000900369382 591998786 /nfs/dbraw/zinc/99/87/86/591998786.db2.gz HTCJYWGBSBRPJE-UHFFFAOYSA-N 2 1 347.369 1.707 20 30 EDEDMP C[C@H](NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(C#N)ccn1 ZINC000902787095 592063989 /nfs/dbraw/zinc/06/39/89/592063989.db2.gz XFUMSLOZJVFRLA-YOEHRIQHSA-N 2 1 329.448 1.547 20 30 EDEDMP C[C@H](NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(C#N)ccn1 ZINC000902787095 592063991 /nfs/dbraw/zinc/06/39/91/592063991.db2.gz XFUMSLOZJVFRLA-YOEHRIQHSA-N 2 1 329.448 1.547 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000838622755 593196906 /nfs/dbraw/zinc/19/69/06/593196906.db2.gz LDPHZYWLMGOHDK-IBGZPJMESA-N 2 1 342.487 1.857 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000838622755 593196909 /nfs/dbraw/zinc/19/69/09/593196909.db2.gz LDPHZYWLMGOHDK-IBGZPJMESA-N 2 1 342.487 1.857 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000838622755 593196912 /nfs/dbraw/zinc/19/69/12/593196912.db2.gz LDPHZYWLMGOHDK-IBGZPJMESA-N 2 1 342.487 1.857 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](c3ccccc3)C2)CC1 ZINC000814641563 593598845 /nfs/dbraw/zinc/59/88/45/593598845.db2.gz HZUXQWOYRSOBTQ-IBGZPJMESA-N 2 1 325.456 1.643 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCc1cn2c(cccc2C)n1 ZINC000826867226 594590694 /nfs/dbraw/zinc/59/06/94/594590694.db2.gz JGEGYXGQKCQMEI-UHFFFAOYSA-N 2 1 327.432 1.440 20 30 EDEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(NC1CC1)=[NH+]C ZINC000849109591 595483371 /nfs/dbraw/zinc/48/33/71/595483371.db2.gz ACAIZMCRYWYDEO-SJLPKXTDSA-N 2 1 330.476 1.851 20 30 EDEDMP CNC(NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)=[NH+]C ZINC000849110217 595483379 /nfs/dbraw/zinc/48/33/79/595483379.db2.gz WABQBDPOOAUSBJ-KRWDZBQOSA-N 2 1 330.476 1.710 20 30 EDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000876765502 597330164 /nfs/dbraw/zinc/33/01/64/597330164.db2.gz SGXUMNSGOULAAZ-VHDGCEQUSA-N 2 1 331.888 1.710 20 30 EDEDMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C#CC3CC[NH2+]CC3)C2)cc1 ZINC000877220279 597465571 /nfs/dbraw/zinc/46/55/71/597465571.db2.gz FNCRMRMFGCBEHF-IBGZPJMESA-N 2 1 325.456 1.689 20 30 EDEDMP CN(C)c1ccc(C#N)cc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000877607767 597541227 /nfs/dbraw/zinc/54/12/27/597541227.db2.gz LEGLCPSFAGMOEZ-UHFFFAOYSA-N 2 1 328.460 1.921 20 30 EDEDMP CN(C)c1ccc(C#N)cc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000877607767 597541228 /nfs/dbraw/zinc/54/12/28/597541228.db2.gz LEGLCPSFAGMOEZ-UHFFFAOYSA-N 2 1 328.460 1.921 20 30 EDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@@H+]3C[C@H](C)[C@H](O)C3)c2)C[C@@H]1O ZINC000878335272 597596381 /nfs/dbraw/zinc/59/63/81/597596381.db2.gz KCBZZDNKUMVKGO-BZUPMSHVSA-N 2 1 329.444 1.183 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)cc(C[NH+]3C[C@H](C)[C@H](O)C3)c2)C[C@@H]1O ZINC000878335272 597596382 /nfs/dbraw/zinc/59/63/82/597596382.db2.gz KCBZZDNKUMVKGO-BZUPMSHVSA-N 2 1 329.444 1.183 20 30 EDEDMP C[C@@H]1C[N@H+](Cc2cc(C#N)cc(C[NH+]3C[C@H](C)[C@H](O)C3)c2)C[C@@H]1O ZINC000878335272 597596383 /nfs/dbraw/zinc/59/63/83/597596383.db2.gz KCBZZDNKUMVKGO-BZUPMSHVSA-N 2 1 329.444 1.183 20 30 EDEDMP C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CCN1c1cc[nH+]cc1 ZINC000880259694 597885528 /nfs/dbraw/zinc/88/55/28/597885528.db2.gz ZGIPVALGFYRQIM-FUHWJXTLSA-N 2 1 344.459 1.663 20 30 EDEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@@H+](C)Cc1ccccc1 ZINC000884219909 598032947 /nfs/dbraw/zinc/03/29/47/598032947.db2.gz AQEPHSREUQTBFX-VHJHTJHASA-N 2 1 340.471 1.762 20 30 EDEDMP C[N@@H+](CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Cc1ccc(F)cc1 ZINC000884229093 598037636 /nfs/dbraw/zinc/03/76/36/598037636.db2.gz HNUFIASPNPSMMU-KOHRHEQBSA-N 2 1 344.434 1.513 20 30 EDEDMP C#CCN(C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914074734 695069537 /nfs/dbraw/zinc/06/95/37/695069537.db2.gz LJLFODAYDCXOPX-IRXDYDNUSA-N 2 1 334.508 1.846 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000914328019 695361763 /nfs/dbraw/zinc/36/17/63/695361763.db2.gz DUCCQUDSYWSABL-UHFFFAOYSA-N 2 1 346.500 1.503 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000914328019 695361765 /nfs/dbraw/zinc/36/17/65/695361765.db2.gz DUCCQUDSYWSABL-UHFFFAOYSA-N 2 1 346.500 1.503 20 30 EDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993365345 696013749 /nfs/dbraw/zinc/01/37/49/696013749.db2.gz MNGVGNRKSYSPAW-IAGOWNOFSA-N 2 1 347.507 1.994 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993990094 696484147 /nfs/dbraw/zinc/48/41/47/696484147.db2.gz QHYPNPFLSWLLGM-NVXWUHKLSA-N 2 1 331.464 1.051 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000917137710 696950368 /nfs/dbraw/zinc/95/03/68/696950368.db2.gz VKJSJGWFRZVMBV-CVEARBPZSA-N 2 1 338.521 1.516 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943773090 698850526 /nfs/dbraw/zinc/85/05/26/698850526.db2.gz YCIPLWCDLIPOKU-QAPCUYQASA-N 2 1 337.427 1.731 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943773090 698850530 /nfs/dbraw/zinc/85/05/30/698850530.db2.gz YCIPLWCDLIPOKU-QAPCUYQASA-N 2 1 337.427 1.731 20 30 EDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902163 700976786 /nfs/dbraw/zinc/97/67/86/700976786.db2.gz YATMUXNUGYISKA-MUZJZNNISA-N 2 1 347.503 1.642 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902163 700976788 /nfs/dbraw/zinc/97/67/88/700976788.db2.gz YATMUXNUGYISKA-MUZJZNNISA-N 2 1 347.503 1.642 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902163 700976790 /nfs/dbraw/zinc/97/67/90/700976790.db2.gz YATMUXNUGYISKA-MUZJZNNISA-N 2 1 347.503 1.642 20 30 EDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000941127521 701186411 /nfs/dbraw/zinc/18/64/11/701186411.db2.gz URBSTTJDBXWUDK-KRWDZBQOSA-N 2 1 337.427 1.731 20 30 EDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C(C)(C)C1 ZINC000941127521 701186413 /nfs/dbraw/zinc/18/64/13/701186413.db2.gz URBSTTJDBXWUDK-KRWDZBQOSA-N 2 1 337.427 1.731 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058075 702507909 /nfs/dbraw/zinc/50/79/09/702507909.db2.gz SPTPZEKBQPVQAV-IRXDYDNUSA-N 2 1 347.507 1.851 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncccc2C)CC1 ZINC000996687711 702984896 /nfs/dbraw/zinc/98/48/96/702984896.db2.gz YKCXKRHUFISRPD-IBGZPJMESA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncccc2C)CC1 ZINC000996687711 702984899 /nfs/dbraw/zinc/98/48/99/702984899.db2.gz YKCXKRHUFISRPD-IBGZPJMESA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cnc(C)o3)CC2)CC1 ZINC001004202260 703932439 /nfs/dbraw/zinc/93/24/39/703932439.db2.gz XULPDWKCYHSIFQ-UHFFFAOYSA-N 2 1 344.459 1.409 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=C)Cl)C[C@H]2C)CC1 ZINC000945180114 705212333 /nfs/dbraw/zinc/21/23/33/705212333.db2.gz KPOIERMYZYHDAQ-RHSMWYFYSA-N 2 1 337.895 1.911 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=C)Cl)C[C@H]2C)CC1 ZINC000945180114 705212337 /nfs/dbraw/zinc/21/23/37/705212337.db2.gz KPOIERMYZYHDAQ-RHSMWYFYSA-N 2 1 337.895 1.911 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2oc(C)nc2C)C1 ZINC000998927177 706355015 /nfs/dbraw/zinc/35/50/15/706355015.db2.gz CJSSTYXYNMYVQA-JCYILVPMSA-N 2 1 344.459 1.468 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2oc(C)nc2C)C1 ZINC000998927177 706355019 /nfs/dbraw/zinc/35/50/19/706355019.db2.gz CJSSTYXYNMYVQA-JCYILVPMSA-N 2 1 344.459 1.468 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnoc2C)C1 ZINC000998928734 706357122 /nfs/dbraw/zinc/35/71/22/706357122.db2.gz PYZPMEDTHPOCAK-JCYILVPMSA-N 2 1 330.432 1.160 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnoc2C)C1 ZINC000998928734 706357123 /nfs/dbraw/zinc/35/71/23/706357123.db2.gz PYZPMEDTHPOCAK-JCYILVPMSA-N 2 1 330.432 1.160 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000999391248 706904040 /nfs/dbraw/zinc/90/40/40/706904040.db2.gz JMJAWQCFUHBTOF-SJORKVTESA-N 2 1 331.485 1.926 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000999391248 706904041 /nfs/dbraw/zinc/90/40/41/706904041.db2.gz JMJAWQCFUHBTOF-SJORKVTESA-N 2 1 331.485 1.926 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999838349 707410233 /nfs/dbraw/zinc/41/02/33/707410233.db2.gz WJRDALFXLODWDE-HSBZDZAISA-N 2 1 332.473 1.650 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC000999836896 707472803 /nfs/dbraw/zinc/47/28/03/707472803.db2.gz MEXRCEBOBPVKHY-OOHWJJMZSA-N 2 1 344.434 1.728 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033665098 708447308 /nfs/dbraw/zinc/44/73/08/708447308.db2.gz LZJRNOFRYUTBMY-KBPBESRZSA-N 2 1 332.473 1.604 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033665098 708447309 /nfs/dbraw/zinc/44/73/09/708447309.db2.gz LZJRNOFRYUTBMY-KBPBESRZSA-N 2 1 332.473 1.604 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033665098 708447310 /nfs/dbraw/zinc/44/73/10/708447310.db2.gz LZJRNOFRYUTBMY-KBPBESRZSA-N 2 1 332.473 1.604 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033665098 708447311 /nfs/dbraw/zinc/44/73/11/708447311.db2.gz LZJRNOFRYUTBMY-KBPBESRZSA-N 2 1 332.473 1.604 20 30 EDEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034318645 709768139 /nfs/dbraw/zinc/76/81/39/709768139.db2.gz CTMPRNNOIBQWKE-ISXWCOSWSA-N 2 1 333.476 1.396 20 30 EDEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034318645 709768143 /nfs/dbraw/zinc/76/81/43/709768143.db2.gz CTMPRNNOIBQWKE-ISXWCOSWSA-N 2 1 333.476 1.396 20 30 EDEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034318645 709768148 /nfs/dbraw/zinc/76/81/48/709768148.db2.gz CTMPRNNOIBQWKE-ISXWCOSWSA-N 2 1 333.476 1.396 20 30 EDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034364237 709882686 /nfs/dbraw/zinc/88/26/86/709882686.db2.gz KAGILCNERXKCOY-IAGOWNOFSA-N 2 1 328.460 1.748 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034364237 709882691 /nfs/dbraw/zinc/88/26/91/709882691.db2.gz KAGILCNERXKCOY-IAGOWNOFSA-N 2 1 328.460 1.748 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001034523779 710171657 /nfs/dbraw/zinc/17/16/57/710171657.db2.gz BVBGHKORUNJQNI-OALUTQOASA-N 2 1 340.471 1.981 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001034523779 710171659 /nfs/dbraw/zinc/17/16/59/710171659.db2.gz BVBGHKORUNJQNI-OALUTQOASA-N 2 1 340.471 1.981 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001034523779 710171662 /nfs/dbraw/zinc/17/16/62/710171662.db2.gz BVBGHKORUNJQNI-OALUTQOASA-N 2 1 340.471 1.981 20 30 EDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005742888 711366216 /nfs/dbraw/zinc/36/62/16/711366216.db2.gz XBIKRMUYSVELDJ-URSIVYNOSA-N 2 1 333.476 1.349 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001033155132 712190427 /nfs/dbraw/zinc/19/04/27/712190427.db2.gz UOYYYUFLPGHYIU-HOTGVXAUSA-N 2 1 346.500 1.582 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2scnc2C)C1 ZINC001033155132 712190430 /nfs/dbraw/zinc/19/04/30/712190430.db2.gz UOYYYUFLPGHYIU-HOTGVXAUSA-N 2 1 346.500 1.582 20 30 EDEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000329218311 539420487 /nfs/dbraw/zinc/42/04/87/539420487.db2.gz ADHXWDDCPIXJEE-HZPDHXFCSA-N 2 1 339.528 1.246 20 30 EDEDMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000329218311 539420494 /nfs/dbraw/zinc/42/04/94/539420494.db2.gz ADHXWDDCPIXJEE-HZPDHXFCSA-N 2 1 339.528 1.246 20 30 EDEDMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000329218311 539420498 /nfs/dbraw/zinc/42/04/98/539420498.db2.gz ADHXWDDCPIXJEE-HZPDHXFCSA-N 2 1 339.528 1.246 20 30 EDEDMP CN(C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246403394 139107111 /nfs/dbraw/zinc/10/71/11/139107111.db2.gz JOCLUZAHYHBGNO-ZFWWWQNUSA-N 2 1 332.473 1.999 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375905648 250282067 /nfs/dbraw/zinc/28/20/67/250282067.db2.gz NEDPEXPEHLUICV-RTBURBONSA-N 2 1 348.535 1.676 20 30 EDEDMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)c(F)c1 ZINC000346216388 143179809 /nfs/dbraw/zinc/17/98/09/143179809.db2.gz SURJWNIUHTYDAT-BBRMVZONSA-N 2 1 332.423 1.935 20 30 EDEDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)c(F)c1 ZINC000346216388 143179810 /nfs/dbraw/zinc/17/98/10/143179810.db2.gz SURJWNIUHTYDAT-BBRMVZONSA-N 2 1 332.423 1.935 20 30 EDEDMP C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)CN1CC[NH+](C)CC1 ZINC000083032495 441347777 /nfs/dbraw/zinc/34/77/77/441347777.db2.gz MGQMURQSWQMSEI-RDJZCZTQSA-N 2 1 345.491 1.298 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000162027263 442056704 /nfs/dbraw/zinc/05/67/04/442056704.db2.gz ZCHLBZXVRZRKER-UHFFFAOYSA-N 2 1 326.444 1.384 20 30 EDEDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000181686387 442709593 /nfs/dbraw/zinc/70/95/93/442709593.db2.gz KTVWFOMWQBJEAV-HNNXBMFYSA-N 2 1 330.432 1.404 20 30 EDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000261655948 443163275 /nfs/dbraw/zinc/16/32/75/443163275.db2.gz ADFPKOVEIJSOPV-GDBMZVCRSA-N 2 1 329.452 1.547 20 30 EDEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262002211 443179041 /nfs/dbraw/zinc/17/90/41/443179041.db2.gz UTAOQRIVNRHYLJ-TZMCWYRMSA-N 2 1 334.493 1.790 20 30 EDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000264059063 443247803 /nfs/dbraw/zinc/24/78/03/443247803.db2.gz CEXHDCQEAWEAHK-WMLDXEAASA-N 2 1 334.464 1.771 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(OC(F)F)cc1 ZINC000264149669 443253088 /nfs/dbraw/zinc/25/30/88/443253088.db2.gz YYXOMTQFTOMTRM-UHFFFAOYSA-N 2 1 342.390 1.415 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000264645862 443359844 /nfs/dbraw/zinc/35/98/44/443359844.db2.gz HHFLLPANGLRORZ-QGZVFWFLSA-N 2 1 327.472 1.968 20 30 EDEDMP C[NH+]=C(NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)NC1CC1 ZINC000264798846 443430751 /nfs/dbraw/zinc/43/07/51/443430751.db2.gz XQHMLWGBGZBLHH-MRXNPFEDSA-N 2 1 343.475 1.211 20 30 EDEDMP CC(C)(C)NC(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303872527 444237589 /nfs/dbraw/zinc/23/75/89/444237589.db2.gz GKDWFDDNUIQAKS-UHFFFAOYSA-N 2 1 341.500 1.632 20 30 EDEDMP C[C@H]1COCCN1CCNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000329077413 444466183 /nfs/dbraw/zinc/46/61/83/444466183.db2.gz BDCXHDRKXHJDBZ-HNNXBMFYSA-N 2 1 349.479 1.309 20 30 EDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCOC[C@@H](C)C2)C1 ZINC000328699687 444434438 /nfs/dbraw/zinc/43/44/38/444434438.db2.gz VTFDLWVTJBIQIZ-JKSUJKDBSA-N 2 1 327.469 1.268 20 30 EDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCOC[C@H](C)C2)C1 ZINC000328699686 444434475 /nfs/dbraw/zinc/43/44/75/444434475.db2.gz VTFDLWVTJBIQIZ-HZPDHXFCSA-N 2 1 327.469 1.268 20 30 EDEDMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cn2)CC1 ZINC000329225217 444506399 /nfs/dbraw/zinc/50/63/99/444506399.db2.gz GANWZLCEIDGVQN-MRXNPFEDSA-N 2 1 331.464 1.774 20 30 EDEDMP C[C@H](O)[C@H]1C[C@H](C)CC[NH+]1CC#CC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000342153840 444538336 /nfs/dbraw/zinc/53/83/36/444538336.db2.gz CJUHZASVLZBAOR-GNVSMLMZSA-N 2 1 336.520 1.952 20 30 EDEDMP C[C@H](O)[C@H]1C[C@@H](C)CC[NH+]1CC#CC[N@@H+]1CC[C@@H](C)C[C@@H]1[C@H](C)O ZINC000342153840 444538341 /nfs/dbraw/zinc/53/83/41/444538341.db2.gz CJUHZASVLZBAOR-GNVSMLMZSA-N 2 1 336.520 1.952 20 30 EDEDMP C[C@H](O)[C@H]1C[C@@H](C)CC[NH+]1CC#CC[N@H+]1CC[C@@H](C)C[C@@H]1[C@H](C)O ZINC000342153840 444538344 /nfs/dbraw/zinc/53/83/44/444538344.db2.gz CJUHZASVLZBAOR-GNVSMLMZSA-N 2 1 336.520 1.952 20 30 EDEDMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000329993310 444802700 /nfs/dbraw/zinc/80/27/00/444802700.db2.gz YHXQGFZCAYNGOK-LSDHHAIUSA-N 2 1 338.496 1.351 20 30 EDEDMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)c1 ZINC000330137070 444858527 /nfs/dbraw/zinc/85/85/27/444858527.db2.gz NOVWXWCNVFYIBM-DOTOQJQBSA-N 2 1 343.475 1.909 20 30 EDEDMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)c1 ZINC000330137070 444858530 /nfs/dbraw/zinc/85/85/30/444858530.db2.gz NOVWXWCNVFYIBM-DOTOQJQBSA-N 2 1 343.475 1.909 20 30 EDEDMP C=CCN1CC[C@H]([NH+]2CCC(CCC[N@H+](C)CCOC)CC2)C1=O ZINC000337183510 444977139 /nfs/dbraw/zinc/97/71/39/444977139.db2.gz NQSCBYLFMIASCA-SFHVURJKSA-N 2 1 337.508 1.844 20 30 EDEDMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000330316234 444934115 /nfs/dbraw/zinc/93/41/15/444934115.db2.gz PXZRRZLXTPEELY-ZACQAIPSSA-N 2 1 336.480 1.058 20 30 EDEDMP C(#CC[N@H+]1CCC[C@H]2COCC[C@H]21)C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000341893408 445056870 /nfs/dbraw/zinc/05/68/70/445056870.db2.gz HURKQNCWBBVRIT-JVSBHGNQSA-N 2 1 332.488 1.992 20 30 EDEDMP C(#CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21)C[NH+]1CCC[C@H]2COCC[C@H]21 ZINC000341893408 445056875 /nfs/dbraw/zinc/05/68/75/445056875.db2.gz HURKQNCWBBVRIT-JVSBHGNQSA-N 2 1 332.488 1.992 20 30 EDEDMP C(#CC[N@H+]1CCC[C@@H]2COCC[C@@H]21)C[NH+]1CCC[C@H]2COCC[C@H]21 ZINC000341893408 445056880 /nfs/dbraw/zinc/05/68/80/445056880.db2.gz HURKQNCWBBVRIT-JVSBHGNQSA-N 2 1 332.488 1.992 20 30 EDEDMP C[NH+](C)[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000330892629 445184480 /nfs/dbraw/zinc/18/44/80/445184480.db2.gz KSKOJYHPMUKALR-UONOGXRCSA-N 2 1 325.457 1.174 20 30 EDEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000346910655 445227668 /nfs/dbraw/zinc/22/76/68/445227668.db2.gz CJGYWQJTJHFUPA-ZMSDIMECSA-N 2 1 333.480 1.426 20 30 EDEDMP C=CCNC(=O)[C@H](C)N(C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346910655 445227669 /nfs/dbraw/zinc/22/76/69/445227669.db2.gz CJGYWQJTJHFUPA-ZMSDIMECSA-N 2 1 333.480 1.426 20 30 EDEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cnc(C#N)cn1 ZINC000375370539 446754269 /nfs/dbraw/zinc/75/42/69/446754269.db2.gz PUSIKMZUWDYXHR-UHFFFAOYSA-N 2 1 342.491 1.981 20 30 EDEDMP C(#CC[N@H+]1CCOC[C@H]1C1CCC1)CN1CCOC[C@@H]1C1CCC1 ZINC000517140301 448543086 /nfs/dbraw/zinc/54/30/86/448543086.db2.gz NGFYXSWKMBJWSN-BGYRXZFFSA-N 2 1 332.488 1.992 20 30 EDEDMP C(#CC[N@@H+]1CCOC[C@@H]1C1CCC1)CN1CCOC[C@H]1C1CCC1 ZINC000517140301 448543090 /nfs/dbraw/zinc/54/30/90/448543090.db2.gz NGFYXSWKMBJWSN-BGYRXZFFSA-N 2 1 332.488 1.992 20 30 EDEDMP C(#CC[N@H+]1CCOC[C@@H]1C1CCC1)CN1CCOC[C@H]1C1CCC1 ZINC000517140301 448543095 /nfs/dbraw/zinc/54/30/95/448543095.db2.gz NGFYXSWKMBJWSN-BGYRXZFFSA-N 2 1 332.488 1.992 20 30 EDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000595907494 449246515 /nfs/dbraw/zinc/24/65/15/449246515.db2.gz VUGHNLNLTIWWIF-GOSISDBHSA-N 2 1 344.459 1.929 20 30 EDEDMP N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000600741608 449528422 /nfs/dbraw/zinc/52/84/22/449528422.db2.gz FSGDPCFJDNVJGQ-RBUKOAKNSA-N 2 1 343.471 1.788 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000264084132 535549792 /nfs/dbraw/zinc/54/97/92/535549792.db2.gz INDFAOMKKAAZGH-CYBMUJFWSA-N 2 1 335.408 1.492 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[S@@](=O)Cc1ccccc1 ZINC000267379666 535597154 /nfs/dbraw/zinc/59/71/54/535597154.db2.gz ARDDTZRYHJMIDC-QMHKHESXSA-N 2 1 336.505 1.324 20 30 EDEDMP C[C@H](C#N)OCC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000796277278 580949880 /nfs/dbraw/zinc/94/98/80/580949880.db2.gz WNSWHEBIHZWURQ-GOSISDBHSA-N 2 1 330.476 1.665 20 30 EDEDMP C[N@H+]1C[C@@H]2CN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@]2(C)C1 ZINC000899251535 591750480 /nfs/dbraw/zinc/75/04/80/591750480.db2.gz APAKCYMSTJDQSL-ALKREAHSSA-N 2 1 338.411 1.074 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900797157 592126440 /nfs/dbraw/zinc/12/64/40/592126440.db2.gz BFEXYJQDQAQELR-UHFFFAOYSA-N 2 1 334.508 1.006 20 30 EDEDMP C#CCOc1ccccc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000105475919 595308609 /nfs/dbraw/zinc/30/86/09/595308609.db2.gz WDDNBAAIFPYHTJ-KRWDZBQOSA-N 2 1 329.444 1.376 20 30 EDEDMP C#CCOc1ccccc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000105475919 595308612 /nfs/dbraw/zinc/30/86/12/595308612.db2.gz WDDNBAAIFPYHTJ-KRWDZBQOSA-N 2 1 329.444 1.376 20 30 EDEDMP C=CC[C@]1(C(=O)NCc2cccnc2-n2cc[nH+]c2C)CCC[NH2+]1 ZINC000852861704 595583256 /nfs/dbraw/zinc/58/32/56/595583256.db2.gz HEWQLCFZDIJDQA-GOSISDBHSA-N 2 1 325.416 1.890 20 30 EDEDMP C=CCNC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856600177 596029500 /nfs/dbraw/zinc/02/95/00/596029500.db2.gz XIOIQLSJCSSHQU-SFHVURJKSA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856600177 596029502 /nfs/dbraw/zinc/02/95/02/596029502.db2.gz XIOIQLSJCSSHQU-SFHVURJKSA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856600177 596029506 /nfs/dbraw/zinc/02/95/06/596029506.db2.gz XIOIQLSJCSSHQU-SFHVURJKSA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856600177 596029510 /nfs/dbraw/zinc/02/95/10/596029510.db2.gz XIOIQLSJCSSHQU-SFHVURJKSA-N 2 1 346.475 1.677 20 30 EDEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H](O)c3cnc[nH]3)CC2)cc1 ZINC000864659138 596299711 /nfs/dbraw/zinc/29/97/11/596299711.db2.gz CMCLGTJHURYOTL-QGZVFWFLSA-N 2 1 339.399 1.049 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](Cc3c(C)cccc3C)C2)CC1 ZINC001031435948 697104058 /nfs/dbraw/zinc/10/40/58/697104058.db2.gz MZVCQXWEZCSTDM-UHFFFAOYSA-N 2 1 339.483 1.949 20 30 EDEDMP C[C@@H]1[C@H](C(=O)NCC2CN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001031682237 697503115 /nfs/dbraw/zinc/50/31/15/697503115.db2.gz BCVAQKCMUFHZDP-MLGOLLRUSA-N 2 1 332.473 1.508 20 30 EDEDMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001031682237 697503117 /nfs/dbraw/zinc/50/31/17/697503117.db2.gz BCVAQKCMUFHZDP-MLGOLLRUSA-N 2 1 332.473 1.508 20 30 EDEDMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001031682237 697503119 /nfs/dbraw/zinc/50/31/19/697503119.db2.gz BCVAQKCMUFHZDP-MLGOLLRUSA-N 2 1 332.473 1.508 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000995913878 702272957 /nfs/dbraw/zinc/27/29/57/702272957.db2.gz BCTGEHJJIDUQJN-HOTGVXAUSA-N 2 1 346.500 1.567 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000995913878 702272962 /nfs/dbraw/zinc/27/29/62/702272962.db2.gz BCTGEHJJIDUQJN-HOTGVXAUSA-N 2 1 346.500 1.567 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)C1 ZINC000996618120 702924847 /nfs/dbraw/zinc/92/48/47/702924847.db2.gz WJQCLNULAOKRDX-ZWKOTPCHSA-N 2 1 340.471 1.837 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000997005397 703262826 /nfs/dbraw/zinc/26/28/26/703262826.db2.gz DJFYAWFPMPUIBW-CXAGYDPISA-N 2 1 346.500 1.898 20 30 EDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000997123626 703381645 /nfs/dbraw/zinc/38/16/45/703381645.db2.gz ANCZIYDQHBEPMG-APWZRJJASA-N 2 1 347.503 1.480 20 30 EDEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033091233 704165713 /nfs/dbraw/zinc/16/57/13/704165713.db2.gz KRYZPCYQHDVWAC-KSZLIROESA-N 2 1 335.492 1.452 20 30 EDEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001033095030 704175084 /nfs/dbraw/zinc/17/50/84/704175084.db2.gz OCEUWQXKAZHQIH-YOEHRIQHSA-N 2 1 331.464 1.899 20 30 EDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001033095030 704175087 /nfs/dbraw/zinc/17/50/87/704175087.db2.gz OCEUWQXKAZHQIH-YOEHRIQHSA-N 2 1 331.464 1.899 20 30 EDEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095030 704175090 /nfs/dbraw/zinc/17/50/90/704175090.db2.gz OCEUWQXKAZHQIH-YOEHRIQHSA-N 2 1 331.464 1.899 20 30 EDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095030 704175091 /nfs/dbraw/zinc/17/50/91/704175091.db2.gz OCEUWQXKAZHQIH-YOEHRIQHSA-N 2 1 331.464 1.899 20 30 EDEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033095030 704175094 /nfs/dbraw/zinc/17/50/94/704175094.db2.gz OCEUWQXKAZHQIH-YOEHRIQHSA-N 2 1 331.464 1.899 20 30 EDEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033095030 704175095 /nfs/dbraw/zinc/17/50/95/704175095.db2.gz OCEUWQXKAZHQIH-YOEHRIQHSA-N 2 1 331.464 1.899 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001004378518 704354357 /nfs/dbraw/zinc/35/43/57/704354357.db2.gz GSPATLKHITUWQN-QZTJIDSGSA-N 2 1 335.492 1.596 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001004378518 704354359 /nfs/dbraw/zinc/35/43/59/704354359.db2.gz GSPATLKHITUWQN-QZTJIDSGSA-N 2 1 335.492 1.596 20 30 EDEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004378518 704354360 /nfs/dbraw/zinc/35/43/60/704354360.db2.gz GSPATLKHITUWQN-QZTJIDSGSA-N 2 1 335.492 1.596 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004378518 704354362 /nfs/dbraw/zinc/35/43/62/704354362.db2.gz GSPATLKHITUWQN-QZTJIDSGSA-N 2 1 335.492 1.596 20 30 EDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997724048 704620215 /nfs/dbraw/zinc/62/02/15/704620215.db2.gz IBJIEDZYSZIRAN-WMZOPIPTSA-N 2 1 335.492 1.336 20 30 EDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997724048 704620217 /nfs/dbraw/zinc/62/02/17/704620217.db2.gz IBJIEDZYSZIRAN-WMZOPIPTSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CC[N@H+]1CC[C@H](NC(=O)CN2CCc3sccc3C2)[C@H](C)C1 ZINC000945089091 705041869 /nfs/dbraw/zinc/04/18/69/705041869.db2.gz FIRMOMSURZIRIW-ZBFHGGJFSA-N 2 1 331.485 1.566 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C(F)(F)F ZINC000998284845 705680250 /nfs/dbraw/zinc/68/02/50/705680250.db2.gz ZEJJCZMAZIXSJV-UONOGXRCSA-N 2 1 343.393 1.617 20 30 EDEDMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000998556535 705993125 /nfs/dbraw/zinc/99/31/25/705993125.db2.gz NMEPXIMVPCOKOZ-ABHNRTSZSA-N 2 1 326.444 1.731 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000998718011 706149550 /nfs/dbraw/zinc/14/95/50/706149550.db2.gz AFVHLHGPFDHATE-WMZOPIPTSA-N 2 1 344.434 1.872 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2conc2C)C1 ZINC000998922535 706350555 /nfs/dbraw/zinc/35/05/55/706350555.db2.gz ICYSEWSMNGQINJ-JCYILVPMSA-N 2 1 330.432 1.160 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2conc2C)C1 ZINC000998922535 706350556 /nfs/dbraw/zinc/35/05/56/706350556.db2.gz ICYSEWSMNGQINJ-JCYILVPMSA-N 2 1 330.432 1.160 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000999389780 706902842 /nfs/dbraw/zinc/90/28/42/706902842.db2.gz CHBQDQIJOIYXCM-OALUTQOASA-N 2 1 347.503 1.481 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000999389780 706902845 /nfs/dbraw/zinc/90/28/45/706902845.db2.gz CHBQDQIJOIYXCM-OALUTQOASA-N 2 1 347.503 1.481 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697528 707145543 /nfs/dbraw/zinc/14/55/43/707145543.db2.gz VXNGMLPRYUOBSF-CEXWTWQISA-N 2 1 329.488 1.664 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033255362 707244346 /nfs/dbraw/zinc/24/43/46/707244346.db2.gz KGJGMRHZUUKWPM-MRXNPFEDSA-N 2 1 325.416 1.990 20 30 EDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001832480 708358150 /nfs/dbraw/zinc/35/81/50/708358150.db2.gz GLYNJBWEIBXJMB-KRWDZBQOSA-N 2 1 328.460 1.605 20 30 EDEDMP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001002443532 708963260 /nfs/dbraw/zinc/96/32/60/708963260.db2.gz DZYVXLQECKVGKI-SFHVURJKSA-N 2 1 344.434 1.872 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001002443532 708963262 /nfs/dbraw/zinc/96/32/62/708963262.db2.gz DZYVXLQECKVGKI-SFHVURJKSA-N 2 1 344.434 1.872 20 30 EDEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001034043493 709294904 /nfs/dbraw/zinc/29/49/04/709294904.db2.gz VSZXEVIEBVSKEQ-RBUKOAKNSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001034043493 709294907 /nfs/dbraw/zinc/29/49/07/709294907.db2.gz VSZXEVIEBVSKEQ-RBUKOAKNSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001034043493 709294909 /nfs/dbraw/zinc/29/49/09/709294909.db2.gz VSZXEVIEBVSKEQ-RBUKOAKNSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001034043493 709294911 /nfs/dbraw/zinc/29/49/11/709294911.db2.gz VSZXEVIEBVSKEQ-RBUKOAKNSA-N 2 1 340.471 1.933 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001003055634 709904799 /nfs/dbraw/zinc/90/47/99/709904799.db2.gz JWDNCFXWDMSCJP-HKUYNNGSSA-N 2 1 347.503 1.481 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001003055634 709904802 /nfs/dbraw/zinc/90/48/02/709904802.db2.gz JWDNCFXWDMSCJP-HKUYNNGSSA-N 2 1 347.503 1.481 20 30 EDEDMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001032945043 710922835 /nfs/dbraw/zinc/92/28/35/710922835.db2.gz NAKVPBOYPHQUHJ-QZTJIDSGSA-N 2 1 326.444 1.685 20 30 EDEDMP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001032945043 710922840 /nfs/dbraw/zinc/92/28/40/710922840.db2.gz NAKVPBOYPHQUHJ-QZTJIDSGSA-N 2 1 326.444 1.685 20 30 EDEDMP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001032945043 710922843 /nfs/dbraw/zinc/92/28/43/710922843.db2.gz NAKVPBOYPHQUHJ-QZTJIDSGSA-N 2 1 326.444 1.685 20 30 EDEDMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001032945043 710922847 /nfs/dbraw/zinc/92/28/47/710922847.db2.gz NAKVPBOYPHQUHJ-QZTJIDSGSA-N 2 1 326.444 1.685 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001004614465 712049012 /nfs/dbraw/zinc/04/90/12/712049012.db2.gz BNYZYUMLQJTPLC-MSOLQXFVSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001004614465 712049013 /nfs/dbraw/zinc/04/90/13/712049013.db2.gz BNYZYUMLQJTPLC-MSOLQXFVSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004614465 712049014 /nfs/dbraw/zinc/04/90/14/712049014.db2.gz BNYZYUMLQJTPLC-MSOLQXFVSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001004614465 712049015 /nfs/dbraw/zinc/04/90/15/712049015.db2.gz BNYZYUMLQJTPLC-MSOLQXFVSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001004614465 712049016 /nfs/dbraw/zinc/04/90/16/712049016.db2.gz BNYZYUMLQJTPLC-MSOLQXFVSA-N 2 1 335.492 1.596 20 30 EDEDMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000331214312 283317975 /nfs/dbraw/zinc/31/79/75/283317975.db2.gz BIFILRUXOIWACH-OAHLLOKOSA-N 2 1 340.512 1.552 20 30 EDEDMP C[C@H](OCCCNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000104157770 237057749 /nfs/dbraw/zinc/05/77/49/237057749.db2.gz IYVFPLNMTBBQKS-KRWDZBQOSA-N 2 1 348.491 1.781 20 30 EDEDMP CC[N@@H+](C)Cc1cccc(CNC(NCCN2CCOCC2)=[NH+]C)c1 ZINC000264994482 249341442 /nfs/dbraw/zinc/34/14/42/249341442.db2.gz RUJNMYYHDFFUNH-UHFFFAOYSA-N 2 1 347.507 1.136 20 30 EDEDMP CN1CC[NH+]=C1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000263209079 249329390 /nfs/dbraw/zinc/32/93/90/249329390.db2.gz YSZMDZCIGVKAEA-GOSISDBHSA-N 2 1 342.487 1.806 20 30 EDEDMP C#CCN1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000490947912 255111929 /nfs/dbraw/zinc/11/19/29/255111929.db2.gz BHVJFOZFWMAQHK-ROUUACIJSA-N 2 1 346.519 1.006 20 30 EDEDMP C#CCN1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000490947912 255111931 /nfs/dbraw/zinc/11/19/31/255111931.db2.gz BHVJFOZFWMAQHK-ROUUACIJSA-N 2 1 346.519 1.006 20 30 EDEDMP C[N@H+](CCO)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000264282714 139393247 /nfs/dbraw/zinc/39/32/47/139393247.db2.gz IMHORSCWJRYNPG-UHFFFAOYSA-N 2 1 330.432 1.275 20 30 EDEDMP C[N@@H+](CCO)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000264282714 139393248 /nfs/dbraw/zinc/39/32/48/139393248.db2.gz IMHORSCWJRYNPG-UHFFFAOYSA-N 2 1 330.432 1.275 20 30 EDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000052184081 441438388 /nfs/dbraw/zinc/43/83/88/441438388.db2.gz MINAVIAPGIWYAJ-UHFFFAOYSA-N 2 1 336.480 1.442 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000172622768 442506945 /nfs/dbraw/zinc/50/69/45/442506945.db2.gz FLLDFOMGLILYGQ-UHFFFAOYSA-N 2 1 338.496 1.125 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc(Cl)s1 ZINC000264112659 443249248 /nfs/dbraw/zinc/24/92/48/443249248.db2.gz RNLNZMLTUFYISF-UHFFFAOYSA-N 2 1 330.885 1.571 20 30 EDEDMP CC(C)CNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000264103797 443248353 /nfs/dbraw/zinc/24/83/53/443248353.db2.gz OVSQQZDWYLLNBM-GOSISDBHSA-N 2 1 331.508 1.926 20 30 EDEDMP CC(C)CNC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000264103797 443248358 /nfs/dbraw/zinc/24/83/58/443248358.db2.gz OVSQQZDWYLLNBM-GOSISDBHSA-N 2 1 331.508 1.926 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCOc2ccccc21 ZINC000267471572 443468855 /nfs/dbraw/zinc/46/88/55/443468855.db2.gz XYQOXFWLJDBBIZ-OAHLLOKOSA-N 2 1 332.448 1.179 20 30 EDEDMP CSc1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000280676301 443740414 /nfs/dbraw/zinc/74/04/14/443740414.db2.gz YZGKLUDQTUDPQJ-UHFFFAOYSA-N 2 1 336.505 1.578 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000293198141 443949049 /nfs/dbraw/zinc/94/90/49/443949049.db2.gz AGCIYCVGJSNTNA-UHFFFAOYSA-N 2 1 344.459 1.066 20 30 EDEDMP C#CC[N@H+](C)CCCN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000294896690 444155646 /nfs/dbraw/zinc/15/56/46/444155646.db2.gz FIIPWEGOMKEQEU-KRWDZBQOSA-N 2 1 341.415 1.962 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000297648513 444313512 /nfs/dbraw/zinc/31/35/12/444313512.db2.gz ZQERDHRFAYPUEW-UHFFFAOYSA-N 2 1 336.505 1.776 20 30 EDEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccccc3C#N)CC[C@@H]21 ZINC000325272156 444363248 /nfs/dbraw/zinc/36/32/48/444363248.db2.gz HNCIBLZYVDAZKD-KURKYZTESA-N 2 1 329.444 1.714 20 30 EDEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3C#N)CC[C@@H]21 ZINC000325272156 444363253 /nfs/dbraw/zinc/36/32/53/444363253.db2.gz HNCIBLZYVDAZKD-KURKYZTESA-N 2 1 329.444 1.714 20 30 EDEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C#N)CC[C@@H]21 ZINC000325272156 444363255 /nfs/dbraw/zinc/36/32/55/444363255.db2.gz HNCIBLZYVDAZKD-KURKYZTESA-N 2 1 329.444 1.714 20 30 EDEDMP C[C@H](NC(=O)N1CCN(C(C)(C)C(N)=O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329292959 444523561 /nfs/dbraw/zinc/52/35/61/444523561.db2.gz JCFOMMDSIMOFHZ-ZDUSSCGKSA-N 2 1 337.468 1.482 20 30 EDEDMP CCOC1CC(CNC(=O)[C@H]2CCC[N@H+]2C)(N2CCOCC2)C1 ZINC000329897580 444757564 /nfs/dbraw/zinc/75/75/64/444757564.db2.gz LLEPIJLHVPQUSE-ISXOHVOVSA-N 2 1 325.453 1.307 20 30 EDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000364340602 445913428 /nfs/dbraw/zinc/91/34/28/445913428.db2.gz HDNKEYIOWZJJGL-DOTOQJQBSA-N 2 1 344.459 1.498 20 30 EDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000364340602 445913431 /nfs/dbraw/zinc/91/34/31/445913431.db2.gz HDNKEYIOWZJJGL-DOTOQJQBSA-N 2 1 344.459 1.498 20 30 EDEDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000356917070 446123088 /nfs/dbraw/zinc/12/30/88/446123088.db2.gz LQICMGSWINTASP-UHFFFAOYSA-N 2 1 344.459 1.623 20 30 EDEDMP C[NH+]1CC[C@]2(CCN(CC#CCN3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000366512255 446243748 /nfs/dbraw/zinc/24/37/48/446243748.db2.gz AHLSMANGPXCZAF-BGYRXZFFSA-N 2 1 330.520 1.045 20 30 EDEDMP C[NH+]1CC[C@@]2(CCN(CC#CCN3CC[C@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000366512255 446243753 /nfs/dbraw/zinc/24/37/53/446243753.db2.gz AHLSMANGPXCZAF-BGYRXZFFSA-N 2 1 330.520 1.045 20 30 EDEDMP C[NH+]1CC[C@@]2(CCN(CC#CCN3CC[C@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000366512255 446243757 /nfs/dbraw/zinc/24/37/57/446243757.db2.gz AHLSMANGPXCZAF-BGYRXZFFSA-N 2 1 330.520 1.045 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367619826 446568973 /nfs/dbraw/zinc/56/89/73/446568973.db2.gz WQBOUBHUQOCMHS-IEBWSBKVSA-N 2 1 348.535 1.676 20 30 EDEDMP C[C@@H]1C[N@H+](CC2CCN(CC(=O)NC3(C#N)CCC3)CC2)C[C@H](C)O1 ZINC000525885522 448047125 /nfs/dbraw/zinc/04/71/25/448047125.db2.gz ASMILPGFHSTAKA-IYBDPMFKSA-N 2 1 348.491 1.370 20 30 EDEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)C[C@H](C)O1 ZINC000525885522 448047131 /nfs/dbraw/zinc/04/71/31/448047131.db2.gz ASMILPGFHSTAKA-IYBDPMFKSA-N 2 1 348.491 1.370 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000491761504 448110477 /nfs/dbraw/zinc/11/04/77/448110477.db2.gz VXMGCDGGDYRMLV-UHFFFAOYSA-N 2 1 348.535 1.254 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491761504 448110483 /nfs/dbraw/zinc/11/04/83/448110483.db2.gz VXMGCDGGDYRMLV-UHFFFAOYSA-N 3 1 348.535 1.254 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491761504 448110486 /nfs/dbraw/zinc/11/04/86/448110486.db2.gz VXMGCDGGDYRMLV-UHFFFAOYSA-N 3 1 348.535 1.254 20 30 EDEDMP N#Cc1cnccc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000592478416 448854406 /nfs/dbraw/zinc/85/44/06/448854406.db2.gz APUAMCNAKPLWSB-RHSMWYFYSA-N 2 1 327.432 1.033 20 30 EDEDMP N#Cc1cnccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000592478416 448854411 /nfs/dbraw/zinc/85/44/11/448854411.db2.gz APUAMCNAKPLWSB-RHSMWYFYSA-N 2 1 327.432 1.033 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000597942289 449152848 /nfs/dbraw/zinc/15/28/48/449152848.db2.gz KMPOXVGYPJCBAJ-HNNXBMFYSA-N 2 1 345.491 1.626 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C#N)cc(N(C)C)c1 ZINC000597942289 449152850 /nfs/dbraw/zinc/15/28/50/449152850.db2.gz KMPOXVGYPJCBAJ-HNNXBMFYSA-N 2 1 345.491 1.626 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000601968565 449251510 /nfs/dbraw/zinc/25/15/10/449251510.db2.gz ORYRGGLBRPRFND-RLLQIKCJSA-N 2 1 344.503 1.550 20 30 EDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000594238941 449405907 /nfs/dbraw/zinc/40/59/07/449405907.db2.gz LHBMCQUCXVPGFD-UHFFFAOYSA-N 2 1 328.460 1.790 20 30 EDEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000594437138 449517027 /nfs/dbraw/zinc/51/70/27/449517027.db2.gz IPRRGBCQKOUHSL-CRAIPNDOSA-N 2 1 328.460 1.961 20 30 EDEDMP N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000600733629 449523744 /nfs/dbraw/zinc/52/37/44/449523744.db2.gz FGLJICJNPWRLIP-ROUUACIJSA-N 2 1 329.444 1.398 20 30 EDEDMP C=CC[C@]1(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CCC[NH2+]1 ZINC000662859759 453574766 /nfs/dbraw/zinc/57/47/66/453574766.db2.gz OIEOBRHGRCJGQT-AZUAARDMSA-N 2 1 343.471 1.568 20 30 EDEDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)C#N ZINC000777818699 580451295 /nfs/dbraw/zinc/45/12/95/580451295.db2.gz IXBWOAILGXPRMD-HNNXBMFYSA-N 2 1 344.525 1.214 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)C#N ZINC000777818699 580451296 /nfs/dbraw/zinc/45/12/96/580451296.db2.gz IXBWOAILGXPRMD-HNNXBMFYSA-N 2 1 344.525 1.214 20 30 EDEDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OCC#N)cc1 ZINC000776157882 580409888 /nfs/dbraw/zinc/40/98/88/580409888.db2.gz UEGWHZRPONVGAT-RDJZCZTQSA-N 2 1 344.459 1.827 20 30 EDEDMP CC[N@@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNC2=[NH+]C[C@@H](C)N2)c1C ZINC000779794291 580497404 /nfs/dbraw/zinc/49/74/04/580497404.db2.gz GKLJFYPHWWUREE-CXAGYDPISA-N 2 1 330.480 1.860 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNC2=[NH+]C[C@@H](C)N2)c1C ZINC000779794291 580497405 /nfs/dbraw/zinc/49/74/05/580497405.db2.gz GKLJFYPHWWUREE-CXAGYDPISA-N 2 1 330.480 1.860 20 30 EDEDMP C[C@@H](NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(C#N)ccn1 ZINC000902787092 592063609 /nfs/dbraw/zinc/06/36/09/592063609.db2.gz XFUMSLOZJVFRLA-PBHICJAKSA-N 2 1 329.448 1.547 20 30 EDEDMP C[C@@H](NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(C#N)ccn1 ZINC000902787092 592063612 /nfs/dbraw/zinc/06/36/12/592063612.db2.gz XFUMSLOZJVFRLA-PBHICJAKSA-N 2 1 329.448 1.547 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000901130489 592243670 /nfs/dbraw/zinc/24/36/70/592243670.db2.gz JAEMDASKVCBFND-RBUKOAKNSA-N 2 1 345.487 1.494 20 30 EDEDMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000852868686 595588711 /nfs/dbraw/zinc/58/87/11/595588711.db2.gz UUJNIZXPXKZQML-UHFFFAOYSA-N 2 1 328.416 1.128 20 30 EDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000876716931 597302439 /nfs/dbraw/zinc/30/24/39/597302439.db2.gz QRAVZUAZUSKHCZ-LSDHHAIUSA-N 2 1 331.888 1.710 20 30 EDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000876729593 597310004 /nfs/dbraw/zinc/31/00/04/597310004.db2.gz RPGHGTNXJRDEED-IEBWSBKVSA-N 2 1 338.455 1.832 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2scnc2C)C1 ZINC001031740955 698312891 /nfs/dbraw/zinc/31/28/91/698312891.db2.gz ONPLUZFREMESEO-INIZCTEOSA-N 2 1 346.500 1.140 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2scnc2C)C1 ZINC001031740955 698312893 /nfs/dbraw/zinc/31/28/93/698312893.db2.gz ONPLUZFREMESEO-INIZCTEOSA-N 2 1 346.500 1.140 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941674676 701614586 /nfs/dbraw/zinc/61/45/86/701614586.db2.gz GTMHPDFRISXKFG-GOSISDBHSA-N 2 1 334.508 1.265 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)C1 ZINC000939753727 699903556 /nfs/dbraw/zinc/90/35/56/699903556.db2.gz HYVWXFPRMDGVOY-KSSFIOAISA-N 2 1 337.427 1.700 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456894 701543175 /nfs/dbraw/zinc/54/31/75/701543175.db2.gz VJHBERKTJMCJSB-SJLPKXTDSA-N 2 1 332.492 1.018 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456894 701543176 /nfs/dbraw/zinc/54/31/76/701543176.db2.gz VJHBERKTJMCJSB-SJLPKXTDSA-N 2 1 332.492 1.018 20 30 EDEDMP C=CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000996763044 703055054 /nfs/dbraw/zinc/05/50/54/703055054.db2.gz AOVCNFCGBWWXLU-ABHNRTSZSA-N 2 1 334.508 1.312 20 30 EDEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997034545 703286454 /nfs/dbraw/zinc/28/64/54/703286454.db2.gz QETONIJPBVHFDJ-MOPGFXCFSA-N 2 1 325.456 1.546 20 30 EDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000942839785 703353432 /nfs/dbraw/zinc/35/34/32/703353432.db2.gz VCHRGSWLBKGFFN-GOEBONIOSA-N 2 1 332.448 1.897 20 30 EDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000942839785 703353433 /nfs/dbraw/zinc/35/34/33/703353433.db2.gz VCHRGSWLBKGFFN-GOEBONIOSA-N 2 1 332.448 1.897 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccns3)CC2)CC1 ZINC001004201014 703928078 /nfs/dbraw/zinc/92/80/78/703928078.db2.gz HSSZCDFYXWFGIY-UHFFFAOYSA-N 2 1 346.500 1.569 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1 ZINC000995550098 703929334 /nfs/dbraw/zinc/92/93/34/703929334.db2.gz HUPOQAPXUPZEAK-ZWKOTPCHSA-N 2 1 340.471 1.979 20 30 EDEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997723881 704620305 /nfs/dbraw/zinc/62/03/05/704620305.db2.gz FWCMKGIFGQCWHM-FUHWJXTLSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997723881 704620307 /nfs/dbraw/zinc/62/03/07/704620307.db2.gz FWCMKGIFGQCWHM-FUHWJXTLSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000997830852 704751076 /nfs/dbraw/zinc/75/10/76/704751076.db2.gz CLTPAGOPGDUNFM-KRWDZBQOSA-N 2 1 346.500 1.569 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000997830852 704751078 /nfs/dbraw/zinc/75/10/78/704751078.db2.gz CLTPAGOPGDUNFM-KRWDZBQOSA-N 2 1 346.500 1.569 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2conc2C)CC1 ZINC000997832806 704752588 /nfs/dbraw/zinc/75/25/88/704752588.db2.gz VNCJJZZLSZSREU-SFHVURJKSA-N 2 1 344.459 1.409 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2conc2C)CC1 ZINC000997832806 704752589 /nfs/dbraw/zinc/75/25/89/704752589.db2.gz VNCJJZZLSZSREU-SFHVURJKSA-N 2 1 344.459 1.409 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2scnc2C)C1 ZINC000998922507 706350587 /nfs/dbraw/zinc/35/05/87/706350587.db2.gz GWSBRPYPFBFGSV-GPANFISMSA-N 2 1 346.500 1.628 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2scnc2C)C1 ZINC000998922507 706350590 /nfs/dbraw/zinc/35/05/90/706350590.db2.gz GWSBRPYPFBFGSV-GPANFISMSA-N 2 1 346.500 1.628 20 30 EDEDMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000999409835 706919694 /nfs/dbraw/zinc/91/96/94/706919694.db2.gz TZKCPIPFQRTMLO-VNCLNFNDSA-N 2 1 340.471 1.979 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CC[C@@H]2C1 ZINC000946779440 707240773 /nfs/dbraw/zinc/24/07/73/707240773.db2.gz OTBWKSCAPSOOPW-KURKYZTESA-N 2 1 340.471 1.558 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)CC[C@@H]2C1 ZINC000946779440 707240775 /nfs/dbraw/zinc/24/07/75/707240775.db2.gz OTBWKSCAPSOOPW-KURKYZTESA-N 2 1 340.471 1.558 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999714893 707252786 /nfs/dbraw/zinc/25/27/86/707252786.db2.gz QVQYXBHZQNYSJW-SFHVURJKSA-N 2 1 337.427 1.844 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033661028 708473568 /nfs/dbraw/zinc/47/35/68/708473568.db2.gz KACYMTNVDAYSGU-WBVHZDCISA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033661028 708473570 /nfs/dbraw/zinc/47/35/70/708473570.db2.gz KACYMTNVDAYSGU-WBVHZDCISA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001033661028 708473573 /nfs/dbraw/zinc/47/35/73/708473573.db2.gz KACYMTNVDAYSGU-WBVHZDCISA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001033661028 708473575 /nfs/dbraw/zinc/47/35/75/708473575.db2.gz KACYMTNVDAYSGU-WBVHZDCISA-N 2 1 344.434 1.682 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001034046713 709299914 /nfs/dbraw/zinc/29/99/14/709299914.db2.gz UTTXUXXSPIGYCY-IEBWSBKVSA-N 2 1 347.503 1.291 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001034526588 710179087 /nfs/dbraw/zinc/17/90/87/710179087.db2.gz ZNGCHPPBBLODJG-RTBURBONSA-N 2 1 340.471 1.981 20 30 EDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001034526588 710179088 /nfs/dbraw/zinc/17/90/88/710179088.db2.gz ZNGCHPPBBLODJG-RTBURBONSA-N 2 1 340.471 1.981 20 30 EDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001034526588 710179089 /nfs/dbraw/zinc/17/90/89/710179089.db2.gz ZNGCHPPBBLODJG-RTBURBONSA-N 2 1 340.471 1.981 20 30 EDEDMP N#Cc1ccc(F)c(C[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001004148387 711561322 /nfs/dbraw/zinc/56/13/22/711561322.db2.gz RJRKRDHNLKTTQD-UHFFFAOYSA-N 2 1 344.434 1.874 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141878 711945157 /nfs/dbraw/zinc/94/51/57/711945157.db2.gz PHAAJBOZQNNMOG-ROUUACIJSA-N 2 1 335.492 1.739 20 30 EDEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033141878 711945158 /nfs/dbraw/zinc/94/51/58/711945158.db2.gz PHAAJBOZQNNMOG-ROUUACIJSA-N 2 1 335.492 1.739 20 30 EDEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033141878 711945159 /nfs/dbraw/zinc/94/51/59/711945159.db2.gz PHAAJBOZQNNMOG-ROUUACIJSA-N 2 1 335.492 1.739 20 30 EDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639907 712114186 /nfs/dbraw/zinc/11/41/86/712114186.db2.gz KJKOYPRVNRFOLE-ZJPYXAASSA-N 2 1 335.492 1.452 20 30 EDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639907 712114189 /nfs/dbraw/zinc/11/41/89/712114189.db2.gz KJKOYPRVNRFOLE-ZJPYXAASSA-N 2 1 335.492 1.452 20 30 EDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639907 712114192 /nfs/dbraw/zinc/11/41/92/712114192.db2.gz KJKOYPRVNRFOLE-ZJPYXAASSA-N 2 1 335.492 1.452 20 30 EDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639907 712114194 /nfs/dbraw/zinc/11/41/94/712114194.db2.gz KJKOYPRVNRFOLE-ZJPYXAASSA-N 2 1 335.492 1.452 20 30 EDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639907 712114195 /nfs/dbraw/zinc/11/41/95/712114195.db2.gz KJKOYPRVNRFOLE-ZJPYXAASSA-N 2 1 335.492 1.452 20 30 EDEDMP C[NH+]=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)NC1CC1 ZINC000103337757 530039144 /nfs/dbraw/zinc/03/91/44/530039144.db2.gz NIVMSKRNTHOPCM-UHFFFAOYSA-N 2 1 329.492 1.522 20 30 EDEDMP COc1ccc(CCNC(=[NH2+])NC[C@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000104192958 237061069 /nfs/dbraw/zinc/06/10/69/237061069.db2.gz DOYCREODRGTLPW-ZDUSSCGKSA-N 2 1 334.464 1.633 20 30 EDEDMP C[NH2+]C[C@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418383532 251363037 /nfs/dbraw/zinc/36/30/37/251363037.db2.gz JGXPGRHMJGQACJ-INIZCTEOSA-N 2 1 343.475 1.631 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000491814559 255149166 /nfs/dbraw/zinc/14/91/66/255149166.db2.gz DLJIICRQXYZCPE-UHFFFAOYSA-N 2 1 334.439 1.642 20 30 EDEDMP N#Cc1ccc(CNC(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000369598709 155104247 /nfs/dbraw/zinc/10/42/47/155104247.db2.gz BTWKZUWGJCIYOE-GUDVDZBRSA-N 2 1 338.455 1.591 20 30 EDEDMP C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372329092 156336021 /nfs/dbraw/zinc/33/60/21/156336021.db2.gz AQMRKNCKJVUECD-YLJYHZDGSA-N 2 1 342.487 1.895 20 30 EDEDMP C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372329092 156336025 /nfs/dbraw/zinc/33/60/25/156336025.db2.gz AQMRKNCKJVUECD-YLJYHZDGSA-N 2 1 342.487 1.895 20 30 EDEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000528516594 267339371 /nfs/dbraw/zinc/33/93/71/267339371.db2.gz KUTWIMLCWNWWOE-PKOBYXMFSA-N 2 1 329.444 1.716 20 30 EDEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000528516594 267339372 /nfs/dbraw/zinc/33/93/72/267339372.db2.gz KUTWIMLCWNWWOE-PKOBYXMFSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000528516594 267339375 /nfs/dbraw/zinc/33/93/75/267339375.db2.gz KUTWIMLCWNWWOE-PKOBYXMFSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000528516594 267339377 /nfs/dbraw/zinc/33/93/77/267339377.db2.gz KUTWIMLCWNWWOE-PKOBYXMFSA-N 2 1 329.444 1.716 20 30 EDEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000530236045 268297277 /nfs/dbraw/zinc/29/72/77/268297277.db2.gz MQCOSNUWEKTQIR-ROUUACIJSA-N 2 1 345.443 1.141 20 30 EDEDMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000125255402 442003366 /nfs/dbraw/zinc/00/33/66/442003366.db2.gz LIMLMYFTQWOWGZ-HNNXBMFYSA-N 2 1 339.447 1.844 20 30 EDEDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000125255402 442003371 /nfs/dbraw/zinc/00/33/71/442003371.db2.gz LIMLMYFTQWOWGZ-HNNXBMFYSA-N 2 1 339.447 1.844 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cn2cncn2)cc1 ZINC000170909280 442286643 /nfs/dbraw/zinc/28/66/43/442286643.db2.gz MDHCNBZOWZXKFQ-QGZVFWFLSA-N 2 1 341.463 1.215 20 30 EDEDMP CN1CC[NH+](Cc2ccc(CNC(=[NH2+])Nc3ccccn3)cc2)CC1 ZINC000170911273 442287320 /nfs/dbraw/zinc/28/73/20/442287320.db2.gz AKOKXWGQGGFEQC-UHFFFAOYSA-N 2 1 338.459 1.756 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000188570967 442764524 /nfs/dbraw/zinc/76/45/24/442764524.db2.gz XMRQWNOZJVDNEA-HNNXBMFYSA-N 2 1 338.496 1.123 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCCC2=O)cc1 ZINC000264054184 443246485 /nfs/dbraw/zinc/24/64/85/443246485.db2.gz ABYZWHNVNNMKCR-QGZVFWFLSA-N 2 1 343.475 1.702 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNc1ccccc1[N+](=O)[O-] ZINC000264110503 443248911 /nfs/dbraw/zinc/24/89/11/443248911.db2.gz OUNBWSRRWWCDTD-CYBMUJFWSA-N 2 1 334.424 1.395 20 30 EDEDMP COC[C@@H](C)NC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000264132016 443251671 /nfs/dbraw/zinc/25/16/71/443251671.db2.gz YGEMQZQIDVHIES-CABCVRRESA-N 2 1 334.464 1.347 20 30 EDEDMP COC[C@@H](C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000264132016 443251676 /nfs/dbraw/zinc/25/16/76/443251676.db2.gz YGEMQZQIDVHIES-CABCVRRESA-N 2 1 334.464 1.347 20 30 EDEDMP Cc1ccc(OCCCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264134145 443251841 /nfs/dbraw/zinc/25/18/41/443251841.db2.gz ZAIVREZWKHCCDY-UHFFFAOYSA-N 2 1 334.464 1.391 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(C2CC2)cc1F ZINC000292015354 443774122 /nfs/dbraw/zinc/77/41/22/443774122.db2.gz ZFGRKFVZEAXDBP-UHFFFAOYSA-N 2 1 334.439 1.830 20 30 EDEDMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292996250 443898249 /nfs/dbraw/zinc/89/82/49/443898249.db2.gz OKQZWJFZGUYIME-IEBWSBKVSA-N 2 1 329.444 1.716 20 30 EDEDMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292996250 443898255 /nfs/dbraw/zinc/89/82/55/443898255.db2.gz OKQZWJFZGUYIME-IEBWSBKVSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292996250 443898258 /nfs/dbraw/zinc/89/82/58/443898258.db2.gz OKQZWJFZGUYIME-IEBWSBKVSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292996250 443898267 /nfs/dbraw/zinc/89/82/67/443898267.db2.gz OKQZWJFZGUYIME-IEBWSBKVSA-N 2 1 329.444 1.716 20 30 EDEDMP COc1ccc(CCNC(=[NH2+])NCCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000281892573 444033844 /nfs/dbraw/zinc/03/38/44/444033844.db2.gz YIKQKKIBAVJXQX-UHFFFAOYSA-N 2 1 347.507 1.168 20 30 EDEDMP CC(C)[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000329291214 444522801 /nfs/dbraw/zinc/52/28/01/444522801.db2.gz IRLBVYMPCODXNL-QGZVFWFLSA-N 2 1 338.496 1.618 20 30 EDEDMP C(#CCN1CC[N@H+]2CCCC[C@H]2C1)CN1CC[NH+]2CCCC[C@H]2C1 ZINC000341902598 445062855 /nfs/dbraw/zinc/06/28/55/445062855.db2.gz AAJBSZOAAWBIMX-PMACEKPBSA-N 2 1 330.520 1.330 20 30 EDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)[C@H](C)C1 ZINC000360957108 445740999 /nfs/dbraw/zinc/74/09/99/445740999.db2.gz OEHLTCMXFBHFKN-IKGGRYGDSA-N 2 1 338.496 1.474 20 30 EDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)[C@H](C)C1 ZINC000360957108 445741001 /nfs/dbraw/zinc/74/10/01/445741001.db2.gz OEHLTCMXFBHFKN-IKGGRYGDSA-N 2 1 338.496 1.474 20 30 EDEDMP CN(Cc1cccc(C#N)c1)CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000497206007 447958235 /nfs/dbraw/zinc/95/82/35/447958235.db2.gz AFITWENAIHREEC-LJQANCHMSA-N 2 1 340.427 1.864 20 30 EDEDMP C#CCN1CCN(C(=O)CN[C@@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000491143914 447935698 /nfs/dbraw/zinc/93/56/98/447935698.db2.gz GYUKINQYZIXXLG-KRWDZBQOSA-N 2 1 349.862 1.131 20 30 EDEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000568603635 448893361 /nfs/dbraw/zinc/89/33/61/448893361.db2.gz FVARIALQPLZCME-IBGZPJMESA-N 2 1 330.476 1.447 20 30 EDEDMP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1 ZINC000602072997 449322999 /nfs/dbraw/zinc/32/29/99/449322999.db2.gz OBCDMEBBJIJMDT-QAPCUYQASA-N 2 1 344.459 1.168 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1 ZINC000602072997 449323007 /nfs/dbraw/zinc/32/30/07/449323007.db2.gz OBCDMEBBJIJMDT-QAPCUYQASA-N 2 1 344.459 1.168 20 30 EDEDMP C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1([NH+]2CCOCC2)CCCC1 ZINC000594439108 449517539 /nfs/dbraw/zinc/51/75/39/449517539.db2.gz NZHCDGKSBZZGLT-HZPDHXFCSA-N 2 1 336.480 1.547 20 30 EDEDMP N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000600733623 449523437 /nfs/dbraw/zinc/52/34/37/449523437.db2.gz FGLJICJNPWRLIP-MSOLQXFVSA-N 2 1 329.444 1.398 20 30 EDEDMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000602891131 449899243 /nfs/dbraw/zinc/89/92/43/449899243.db2.gz KURUSKOBEAOGEC-GOSISDBHSA-N 2 1 330.432 1.275 20 30 EDEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000602891131 449899248 /nfs/dbraw/zinc/89/92/48/449899248.db2.gz KURUSKOBEAOGEC-GOSISDBHSA-N 2 1 330.432 1.275 20 30 EDEDMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000602877692 449886019 /nfs/dbraw/zinc/88/60/19/449886019.db2.gz KFVAERAPXQSLBB-KRWDZBQOSA-N 2 1 329.444 1.716 20 30 EDEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508161 450195346 /nfs/dbraw/zinc/19/53/46/450195346.db2.gz UQGDVEWRFFUQGM-AZUAARDMSA-N 2 1 343.471 1.910 20 30 EDEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508161 450195356 /nfs/dbraw/zinc/19/53/56/450195356.db2.gz UQGDVEWRFFUQGM-AZUAARDMSA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508161 450195362 /nfs/dbraw/zinc/19/53/62/450195362.db2.gz UQGDVEWRFFUQGM-AZUAARDMSA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508161 450195368 /nfs/dbraw/zinc/19/53/68/450195368.db2.gz UQGDVEWRFFUQGM-AZUAARDMSA-N 2 1 343.471 1.910 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNC(=O)c1cccs1 ZINC000104189298 529100753 /nfs/dbraw/zinc/10/07/53/529100753.db2.gz YOGWOVJBMHTNNB-ZDUSSCGKSA-N 2 1 337.493 1.257 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CCn2cccn2)C[C@H]1CC ZINC000900766944 592118313 /nfs/dbraw/zinc/11/83/13/592118313.db2.gz XMAQRFJULBBHSU-QGZVFWFLSA-N 2 1 333.480 1.314 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CCn2cccn2)C[C@H]1CC ZINC000900766944 592118315 /nfs/dbraw/zinc/11/83/15/592118315.db2.gz XMAQRFJULBBHSU-QGZVFWFLSA-N 2 1 333.480 1.314 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000816682471 593540368 /nfs/dbraw/zinc/54/03/68/593540368.db2.gz YNFCBJXGUSKQIJ-INIZCTEOSA-N 2 1 333.476 1.043 20 30 EDEDMP C=CC[C@@]1(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CCC[NH2+]1 ZINC000852858417 595580060 /nfs/dbraw/zinc/58/00/60/595580060.db2.gz BVAJNHZDTSQAHC-SFHVURJKSA-N 2 1 325.416 1.890 20 30 EDEDMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000852868267 595587836 /nfs/dbraw/zinc/58/78/36/595587836.db2.gz BPYDJEZCLDHXDD-SJLPKXTDSA-N 2 1 335.492 1.243 20 30 EDEDMP C#CCNC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856598239 596028881 /nfs/dbraw/zinc/02/88/81/596028881.db2.gz SGZCPVYBRBYNPY-GOSISDBHSA-N 2 1 344.459 1.124 20 30 EDEDMP C#CCNC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856598239 596028885 /nfs/dbraw/zinc/02/88/85/596028885.db2.gz SGZCPVYBRBYNPY-GOSISDBHSA-N 2 1 344.459 1.124 20 30 EDEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598239 596028892 /nfs/dbraw/zinc/02/88/92/596028892.db2.gz SGZCPVYBRBYNPY-GOSISDBHSA-N 2 1 344.459 1.124 20 30 EDEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598239 596028893 /nfs/dbraw/zinc/02/88/93/596028893.db2.gz SGZCPVYBRBYNPY-GOSISDBHSA-N 2 1 344.459 1.124 20 30 EDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000876753992 597322690 /nfs/dbraw/zinc/32/26/90/597322690.db2.gz LKLIAWPOCIVOMB-PKOBYXMFSA-N 2 1 338.455 1.832 20 30 EDEDMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000877229142 597469184 /nfs/dbraw/zinc/46/91/84/597469184.db2.gz HXYFSALCSSHMHP-QZTJIDSGSA-N 2 1 344.459 1.333 20 30 EDEDMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000877229142 597469185 /nfs/dbraw/zinc/46/91/85/597469185.db2.gz HXYFSALCSSHMHP-QZTJIDSGSA-N 2 1 344.459 1.333 20 30 EDEDMP C#CCC[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878312859 597594568 /nfs/dbraw/zinc/59/45/68/597594568.db2.gz BHXUUBOXHRUYJL-HXUWFJFHSA-N 2 1 327.472 1.264 20 30 EDEDMP C#CCC1(O)CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000880481168 597942080 /nfs/dbraw/zinc/94/20/80/597942080.db2.gz NJZLSGLYJPGWEW-GOSISDBHSA-N 2 1 343.471 1.256 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1 ZINC001031741390 698315659 /nfs/dbraw/zinc/31/56/59/698315659.db2.gz YJFUQUTUKYTBPX-TVPLGVNVSA-N 2 1 331.504 1.958 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCC(C)CC2)C1 ZINC001031741390 698315661 /nfs/dbraw/zinc/31/56/61/698315661.db2.gz YJFUQUTUKYTBPX-TVPLGVNVSA-N 2 1 331.504 1.958 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)OC)CC2(C)C)CC1 ZINC000941238682 701429109 /nfs/dbraw/zinc/42/91/09/701429109.db2.gz ZWWAPRVGVKCMHV-AEFFLSMTSA-N 2 1 349.519 1.583 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408756 701521361 /nfs/dbraw/zinc/52/13/61/701521361.db2.gz RWWHMNWHUBWDLB-ZWKOTPCHSA-N 2 1 346.519 1.265 20 30 EDEDMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1C#N ZINC001032181194 702096048 /nfs/dbraw/zinc/09/60/48/702096048.db2.gz BVPMBRQRLLBBMD-MRXNPFEDSA-N 2 1 342.443 1.067 20 30 EDEDMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1C#N ZINC001032181194 702096055 /nfs/dbraw/zinc/09/60/55/702096055.db2.gz BVPMBRQRLLBBMD-MRXNPFEDSA-N 2 1 342.443 1.067 20 30 EDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000995891802 702190330 /nfs/dbraw/zinc/19/03/30/702190330.db2.gz DKEAYBMECYTVIT-IAGOWNOFSA-N 2 1 335.492 1.642 20 30 EDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942055958 702503355 /nfs/dbraw/zinc/50/33/55/702503355.db2.gz DANCFMQZUQOVTO-HZPDHXFCSA-N 2 1 333.480 1.461 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996684397 702982270 /nfs/dbraw/zinc/98/22/70/702982270.db2.gz JJMAVVXFPUGAHP-IBGZPJMESA-N 2 1 347.503 1.481 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996684397 702982273 /nfs/dbraw/zinc/98/22/73/702982273.db2.gz JJMAVVXFPUGAHP-IBGZPJMESA-N 2 1 347.503 1.481 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996686350 702992951 /nfs/dbraw/zinc/99/29/51/702992951.db2.gz SOBWLEBTVHCTMQ-KRWDZBQOSA-N 2 1 346.500 1.364 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996686350 702992952 /nfs/dbraw/zinc/99/29/52/702992952.db2.gz SOBWLEBTVHCTMQ-KRWDZBQOSA-N 2 1 346.500 1.364 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942717 704795107 /nfs/dbraw/zinc/79/51/07/704795107.db2.gz CKUGUMIBRFTKBS-APWZRJJASA-N 2 1 340.471 1.981 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000998009507 705179287 /nfs/dbraw/zinc/17/92/87/705179287.db2.gz YKCQZDJYWUPQAQ-QGZVFWFLSA-N 2 1 347.507 1.947 20 30 EDEDMP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998101799 705344229 /nfs/dbraw/zinc/34/42/29/705344229.db2.gz KFZNABGMOXEUME-QZTJIDSGSA-N 2 1 337.508 1.985 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998101799 705344231 /nfs/dbraw/zinc/34/42/31/705344231.db2.gz KFZNABGMOXEUME-QZTJIDSGSA-N 2 1 337.508 1.985 20 30 EDEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000998101799 705344234 /nfs/dbraw/zinc/34/42/34/705344234.db2.gz KFZNABGMOXEUME-QZTJIDSGSA-N 2 1 337.508 1.985 20 30 EDEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000998101799 705344237 /nfs/dbraw/zinc/34/42/37/705344237.db2.gz KFZNABGMOXEUME-QZTJIDSGSA-N 2 1 337.508 1.985 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC000998721654 706153011 /nfs/dbraw/zinc/15/30/11/706153011.db2.gz NFPLDCVWZRSYTI-SJLPKXTDSA-N 2 1 344.434 1.872 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2oc(C)nc2C)C1 ZINC000999389751 706902455 /nfs/dbraw/zinc/90/24/55/706902455.db2.gz BVKNZFDMUIULLE-SJORKVTESA-N 2 1 344.459 1.470 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2oc(C)nc2C)C1 ZINC000999389751 706902458 /nfs/dbraw/zinc/90/24/58/706902458.db2.gz BVKNZFDMUIULLE-SJORKVTESA-N 2 1 344.459 1.470 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999706618 707297350 /nfs/dbraw/zinc/29/73/50/707297350.db2.gz BWOPXZFJDNKQRF-GOSISDBHSA-N 2 1 337.427 1.844 20 30 EDEDMP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999996436 707676603 /nfs/dbraw/zinc/67/66/03/707676603.db2.gz JIVVCBQZGSWNDJ-DLBZAZTESA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999996436 707676607 /nfs/dbraw/zinc/67/66/07/707676607.db2.gz JIVVCBQZGSWNDJ-DLBZAZTESA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999996436 707676612 /nfs/dbraw/zinc/67/66/12/707676612.db2.gz JIVVCBQZGSWNDJ-DLBZAZTESA-N 2 1 346.479 1.202 20 30 EDEDMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(C#N)c2)C1 ZINC001032731097 707731824 /nfs/dbraw/zinc/73/18/24/707731824.db2.gz ZKXMSVHQVPBZJA-QYZOEREBSA-N 2 1 338.455 1.685 20 30 EDEDMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(C#N)c2)C1 ZINC001032731097 707731829 /nfs/dbraw/zinc/73/18/29/707731829.db2.gz ZKXMSVHQVPBZJA-QYZOEREBSA-N 2 1 338.455 1.685 20 30 EDEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001032731097 707731833 /nfs/dbraw/zinc/73/18/33/707731833.db2.gz ZKXMSVHQVPBZJA-QYZOEREBSA-N 2 1 338.455 1.685 20 30 EDEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001032731097 707731836 /nfs/dbraw/zinc/73/18/36/707731836.db2.gz ZKXMSVHQVPBZJA-QYZOEREBSA-N 2 1 338.455 1.685 20 30 EDEDMP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033390630 707764823 /nfs/dbraw/zinc/76/48/23/707764823.db2.gz LBUDMGWGUJFCGJ-LJQANCHMSA-N 2 1 340.471 1.933 20 30 EDEDMP C#CCC[NH+]1CCC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC001001837378 708342716 /nfs/dbraw/zinc/34/27/16/708342716.db2.gz XGDRDEQQODLPMD-UHFFFAOYSA-N 2 1 344.459 1.736 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033662254 708476930 /nfs/dbraw/zinc/47/69/30/708476930.db2.gz POUGNBHUSQCHEZ-ZWKOTPCHSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033662254 708476932 /nfs/dbraw/zinc/47/69/32/708476932.db2.gz POUGNBHUSQCHEZ-ZWKOTPCHSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033662254 708476934 /nfs/dbraw/zinc/47/69/34/708476934.db2.gz POUGNBHUSQCHEZ-ZWKOTPCHSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033662254 708476937 /nfs/dbraw/zinc/47/69/37/708476937.db2.gz POUGNBHUSQCHEZ-ZWKOTPCHSA-N 2 1 326.444 1.543 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001034885757 711290413 /nfs/dbraw/zinc/29/04/13/711290413.db2.gz YPHAOZKZXFBMIQ-AEFFLSMTSA-N 2 1 344.434 1.872 20 30 EDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621306 711907992 /nfs/dbraw/zinc/90/79/92/711907992.db2.gz TZQSONRBSCPGAO-CEXWTWQISA-N 2 1 331.504 1.768 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621306 711907994 /nfs/dbraw/zinc/90/79/94/711907994.db2.gz TZQSONRBSCPGAO-CEXWTWQISA-N 2 1 331.504 1.768 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621306 711907997 /nfs/dbraw/zinc/90/79/97/711907997.db2.gz TZQSONRBSCPGAO-CEXWTWQISA-N 2 1 331.504 1.768 20 30 EDEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004622751 712069392 /nfs/dbraw/zinc/06/93/92/712069392.db2.gz YZOBIIQEGWPGRR-RTBURBONSA-N 2 1 349.519 1.986 20 30 EDEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004622751 712069393 /nfs/dbraw/zinc/06/93/93/712069393.db2.gz YZOBIIQEGWPGRR-RTBURBONSA-N 2 1 349.519 1.986 20 30 EDEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004622751 712069395 /nfs/dbraw/zinc/06/93/95/712069395.db2.gz YZOBIIQEGWPGRR-RTBURBONSA-N 2 1 349.519 1.986 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004622751 712069397 /nfs/dbraw/zinc/06/93/97/712069397.db2.gz YZOBIIQEGWPGRR-RTBURBONSA-N 2 1 349.519 1.986 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001004619843 712080830 /nfs/dbraw/zinc/08/08/30/712080830.db2.gz MJVGQZVKUUZIRX-FQEVSTJZSA-N 2 1 341.499 1.668 20 30 EDEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])N3CCOCC3)c2)CCO1 ZINC000104180101 237057857 /nfs/dbraw/zinc/05/78/57/237057857.db2.gz PSAWHYFRBICDGK-HNNXBMFYSA-N 2 1 332.448 1.054 20 30 EDEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])N3CCOCC3)c2)CCO1 ZINC000104180101 237057868 /nfs/dbraw/zinc/05/78/68/237057868.db2.gz PSAWHYFRBICDGK-HNNXBMFYSA-N 2 1 332.448 1.054 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1c[nH]c2ccccc12 ZINC000264102157 249335326 /nfs/dbraw/zinc/33/53/26/249335326.db2.gz NDOHSSHGYDEZQN-UHFFFAOYSA-N 2 1 329.448 1.337 20 30 EDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000350216216 250058795 /nfs/dbraw/zinc/05/87/95/250058795.db2.gz PGRJDPTWGODINN-AEFFLSMTSA-N 2 1 336.480 1.228 20 30 EDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000350216216 250058799 /nfs/dbraw/zinc/05/87/99/250058799.db2.gz PGRJDPTWGODINN-AEFFLSMTSA-N 2 1 336.480 1.228 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374318885 250259783 /nfs/dbraw/zinc/25/97/83/250259783.db2.gz SXWIMLRQVLFMAK-HUUCEWRRSA-N 2 1 348.491 1.583 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000491676522 255139259 /nfs/dbraw/zinc/13/92/59/255139259.db2.gz OFFZPWKOMAKFMY-UHFFFAOYSA-N 2 1 332.492 1.394 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000491699267 255142861 /nfs/dbraw/zinc/14/28/61/255142861.db2.gz UMBDBTIRBURUME-UHFFFAOYSA-N 2 1 338.496 1.130 20 30 EDEDMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000378052997 158065628 /nfs/dbraw/zinc/06/56/28/158065628.db2.gz DXNTWBDUXXVODR-KBPBESRZSA-N 2 1 341.440 1.835 20 30 EDEDMP C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665036084 453548730 /nfs/dbraw/zinc/54/87/30/453548730.db2.gz AQGSWSXOAFXNGG-XHSDSOJGSA-N 2 1 326.485 1.291 20 30 EDEDMP C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665036084 453548735 /nfs/dbraw/zinc/54/87/35/453548735.db2.gz AQGSWSXOAFXNGG-XHSDSOJGSA-N 2 1 326.485 1.291 20 30 EDEDMP C=C(C)C[N@H+](C)CC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000378491567 447434854 /nfs/dbraw/zinc/43/48/54/447434854.db2.gz HCVDJJPJBYXPEW-SFHVURJKSA-N 2 1 331.460 1.512 20 30 EDEDMP C=C(C)CN(C)CC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000378491567 447434858 /nfs/dbraw/zinc/43/48/58/447434858.db2.gz HCVDJJPJBYXPEW-SFHVURJKSA-N 2 1 331.460 1.512 20 30 EDEDMP C#CCOc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000113332621 441602539 /nfs/dbraw/zinc/60/25/39/441602539.db2.gz XQFONEFKWZTUQT-LJQANCHMSA-N 2 1 343.471 1.731 20 30 EDEDMP C#CCOc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000113332621 441602544 /nfs/dbraw/zinc/60/25/44/441602544.db2.gz XQFONEFKWZTUQT-LJQANCHMSA-N 2 1 343.471 1.731 20 30 EDEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N(C)Cc1ccon1 ZINC000261864925 443172184 /nfs/dbraw/zinc/17/21/84/443172184.db2.gz ZVRNRWOHFHZVEM-UHFFFAOYSA-N 2 1 339.403 1.771 20 30 EDEDMP C[NH+]=C(NCC(=O)Nc1ccccc1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262023089 443179990 /nfs/dbraw/zinc/17/99/90/443179990.db2.gz ZEHTYPJOHBTOPP-HOCLYGCPSA-N 2 1 331.464 1.519 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(C)OCCc2sccc21 ZINC000262349556 443191141 /nfs/dbraw/zinc/19/11/41/443191141.db2.gz YPGZDHHWOQSSLM-CXAGYDPISA-N 2 1 336.505 1.925 20 30 EDEDMP C[NH+]1CCN(C(=O)c2ccc(CNC(=[NH2+])NC3CCCC3)cc2)CC1 ZINC000264056875 443247484 /nfs/dbraw/zinc/24/74/84/443247484.db2.gz BJQOAXNACNTSFP-UHFFFAOYSA-N 2 1 343.475 1.421 20 30 EDEDMP Cc1ccc(C(C)(C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264317481 443260251 /nfs/dbraw/zinc/26/02/51/443260251.db2.gz WNODTMXFCVTDDX-UHFFFAOYSA-N 2 1 332.492 1.899 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CC=CC2)cc1 ZINC000267414285 443449184 /nfs/dbraw/zinc/44/91/84/443449184.db2.gz IWOIJFPEVMHUMM-SFHVURJKSA-N 2 1 327.476 1.951 20 30 EDEDMP C[NH+]=C(NCCC[N@@H+](C)Cc1ccccc1)NCCN1CCOCC1 ZINC000264977778 443497799 /nfs/dbraw/zinc/49/77/99/443497799.db2.gz JDBAYNJOCRYEDA-UHFFFAOYSA-N 2 1 347.507 1.006 20 30 EDEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])N(C)C3CC3)cc2)CC1 ZINC000273321183 443567079 /nfs/dbraw/zinc/56/70/79/443567079.db2.gz GEZOUZCCAVTOPL-UHFFFAOYSA-N 2 1 329.492 1.733 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000280509537 443733894 /nfs/dbraw/zinc/73/38/94/443733894.db2.gz DPTLXRIJCLQPNL-SHTZXODSSA-N 2 1 334.439 1.698 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000294015842 444099287 /nfs/dbraw/zinc/09/92/87/444099287.db2.gz QCFYHCLMXYRTDC-UHFFFAOYSA-N 2 1 342.487 1.270 20 30 EDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCCC[N@H+]2CC)CC1 ZINC000304754919 444252723 /nfs/dbraw/zinc/25/27/23/444252723.db2.gz MILDCGYJJQIPOX-OAHLLOKOSA-N 2 1 339.484 1.386 20 30 EDEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccccc3C#N)CC[C@@H]21 ZINC000325272160 444363067 /nfs/dbraw/zinc/36/30/67/444363067.db2.gz HNCIBLZYVDAZKD-SQNIBIBYSA-N 2 1 329.444 1.714 20 30 EDEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3C#N)CC[C@@H]21 ZINC000325272160 444363073 /nfs/dbraw/zinc/36/30/73/444363073.db2.gz HNCIBLZYVDAZKD-SQNIBIBYSA-N 2 1 329.444 1.714 20 30 EDEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3C#N)CC[C@@H]21 ZINC000325272160 444363077 /nfs/dbraw/zinc/36/30/77/444363077.db2.gz HNCIBLZYVDAZKD-SQNIBIBYSA-N 2 1 329.444 1.714 20 30 EDEDMP Cn1cc(CN2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cn1 ZINC000329203046 444500616 /nfs/dbraw/zinc/50/06/16/444500616.db2.gz YGYGEASOHRMORT-IAGOWNOFSA-N 2 1 346.479 1.079 20 30 EDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346408383 445214118 /nfs/dbraw/zinc/21/41/18/445214118.db2.gz GRYAZZNYASAFII-HZPDHXFCSA-N 2 1 336.480 1.370 20 30 EDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346408383 445214119 /nfs/dbraw/zinc/21/41/19/445214119.db2.gz GRYAZZNYASAFII-HZPDHXFCSA-N 2 1 336.480 1.370 20 30 EDEDMP C=CCC[C@@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451540855 447738668 /nfs/dbraw/zinc/73/86/68/447738668.db2.gz XROZGNVZWLIOHA-RBUKOAKNSA-N 2 1 337.508 1.580 20 30 EDEDMP C=CCC[C@@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451540855 447738670 /nfs/dbraw/zinc/73/86/70/447738670.db2.gz XROZGNVZWLIOHA-RBUKOAKNSA-N 2 1 337.508 1.580 20 30 EDEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451540855 447738674 /nfs/dbraw/zinc/73/86/74/447738674.db2.gz XROZGNVZWLIOHA-RBUKOAKNSA-N 2 1 337.508 1.580 20 30 EDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451540855 447738679 /nfs/dbraw/zinc/73/86/79/447738679.db2.gz XROZGNVZWLIOHA-RBUKOAKNSA-N 2 1 337.508 1.580 20 30 EDEDMP CC(C)[NH+]1CC[C@@H](N(C)CC#CCN(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000452111987 447816648 /nfs/dbraw/zinc/81/66/48/447816648.db2.gz DNVOXNCYJIARTR-BGYRXZFFSA-N 2 1 334.552 1.819 20 30 EDEDMP CC(C)[NH+]1CC[C@H](N(C)CC#CCN(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000452111987 447816649 /nfs/dbraw/zinc/81/66/49/447816649.db2.gz DNVOXNCYJIARTR-BGYRXZFFSA-N 2 1 334.552 1.819 20 30 EDEDMP CC(C)[NH+]1CC[C@H](N(C)CC#CCN(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000452111987 447816651 /nfs/dbraw/zinc/81/66/51/447816651.db2.gz DNVOXNCYJIARTR-BGYRXZFFSA-N 2 1 334.552 1.819 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000491778962 448118293 /nfs/dbraw/zinc/11/82/93/448118293.db2.gz JPRVIASKLOCPJJ-IBGZPJMESA-N 2 1 342.487 1.763 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000491778962 448118296 /nfs/dbraw/zinc/11/82/96/448118296.db2.gz JPRVIASKLOCPJJ-IBGZPJMESA-N 2 1 342.487 1.763 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491778962 448118300 /nfs/dbraw/zinc/11/83/00/448118300.db2.gz JPRVIASKLOCPJJ-IBGZPJMESA-N 2 1 342.487 1.763 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000566108603 448390687 /nfs/dbraw/zinc/39/06/87/448390687.db2.gz WTWIPGIGOBRTAW-KRWDZBQOSA-N 2 1 349.431 1.965 20 30 EDEDMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590191654 449115646 /nfs/dbraw/zinc/11/56/46/449115646.db2.gz BRROXIXMFJNGHG-QUCCMNQESA-N 2 1 343.471 1.910 20 30 EDEDMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590191654 449115650 /nfs/dbraw/zinc/11/56/50/449115650.db2.gz BRROXIXMFJNGHG-QUCCMNQESA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590191654 449115653 /nfs/dbraw/zinc/11/56/53/449115653.db2.gz BRROXIXMFJNGHG-QUCCMNQESA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590191654 449115656 /nfs/dbraw/zinc/11/56/56/449115656.db2.gz BRROXIXMFJNGHG-QUCCMNQESA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000604546008 449250506 /nfs/dbraw/zinc/25/05/06/449250506.db2.gz BVRKDCFQICATPI-QGZVFWFLSA-N 2 1 341.459 1.398 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593883688 449261320 /nfs/dbraw/zinc/26/13/20/449261320.db2.gz RRHIBLBCLJGCSY-QGZVFWFLSA-N 2 1 326.444 1.591 20 30 EDEDMP C[NH+]1CCN(C(=O)CC[NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594032884 449332875 /nfs/dbraw/zinc/33/28/75/449332875.db2.gz CFLKAIQPNXPSMQ-UHFFFAOYSA-N 2 1 326.444 1.691 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(F)cc1)N(C)C ZINC000264077951 535596568 /nfs/dbraw/zinc/59/65/68/535596568.db2.gz GHUQJZRSZCAMIP-DLBZAZTESA-N 2 1 335.471 1.817 20 30 EDEDMP C#CCNC(=O)C[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000733997459 578792785 /nfs/dbraw/zinc/79/27/85/578792785.db2.gz XOOUGWZHXRVFBM-UHFFFAOYSA-N 2 1 343.475 1.524 20 30 EDEDMP C#CCNC(=O)C[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000733997459 578792786 /nfs/dbraw/zinc/79/27/86/578792786.db2.gz XOOUGWZHXRVFBM-UHFFFAOYSA-N 2 1 343.475 1.524 20 30 EDEDMP C[NH+]1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)cc(C#N)c1[N+](=O)[O-] ZINC000895771658 591270131 /nfs/dbraw/zinc/27/01/31/591270131.db2.gz OFQNPPYSQBICGR-GJZGRUSLSA-N 2 1 344.419 1.698 20 30 EDEDMP C[NH+]1CC[C@H]1CNc1cc(C#N)c([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C)c1 ZINC000895771658 591270134 /nfs/dbraw/zinc/27/01/34/591270134.db2.gz OFQNPPYSQBICGR-GJZGRUSLSA-N 2 1 344.419 1.698 20 30 EDEDMP C[NH+]1CC[C@H]1CNc1cc(C#N)c([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C)c1 ZINC000895771658 591270136 /nfs/dbraw/zinc/27/01/36/591270136.db2.gz OFQNPPYSQBICGR-GJZGRUSLSA-N 2 1 344.419 1.698 20 30 EDEDMP CC(C)(C)NC(NCCC[NH+]1CCOCC1)=[NH+]C[C@@H]1CCSC1 ZINC000912506161 593101337 /nfs/dbraw/zinc/10/13/37/593101337.db2.gz JQNJLBFPVFCGEP-HNNXBMFYSA-N 2 1 342.553 1.796 20 30 EDEDMP CNC(NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)=[NH+]C ZINC000849110488 595483300 /nfs/dbraw/zinc/48/33/00/595483300.db2.gz ZZSRRSKZLNYNON-UHFFFAOYSA-N 2 1 345.491 1.153 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000855346242 595680734 /nfs/dbraw/zinc/68/07/34/595680734.db2.gz SVWKNMGJXGMKAU-HNNXBMFYSA-N 2 1 345.443 1.155 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000855346242 595680739 /nfs/dbraw/zinc/68/07/39/595680739.db2.gz SVWKNMGJXGMKAU-HNNXBMFYSA-N 2 1 345.443 1.155 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000852360088 596136440 /nfs/dbraw/zinc/13/64/40/596136440.db2.gz UAARFLISGXQVBO-SFHVURJKSA-N 2 1 328.460 1.515 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000852360088 596136441 /nfs/dbraw/zinc/13/64/41/596136441.db2.gz UAARFLISGXQVBO-SFHVURJKSA-N 2 1 328.460 1.515 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000852360088 596136442 /nfs/dbraw/zinc/13/64/42/596136442.db2.gz UAARFLISGXQVBO-SFHVURJKSA-N 2 1 328.460 1.515 20 30 EDEDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000877134789 597440206 /nfs/dbraw/zinc/44/02/06/597440206.db2.gz XPJKMARRUQZOKN-FXAWDEMLSA-N 2 1 339.483 1.874 20 30 EDEDMP CC[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000154343593 696989679 /nfs/dbraw/zinc/98/96/79/696989679.db2.gz VONVXAFHTIZMNC-WOSRLPQWSA-N 2 1 326.510 1.035 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC001031742480 698322090 /nfs/dbraw/zinc/32/20/90/698322090.db2.gz GPNMJGCKCLHODV-RBUKOAKNSA-N 2 1 347.503 1.337 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCCC2)C1 ZINC001031742480 698322092 /nfs/dbraw/zinc/32/20/92/698322092.db2.gz GPNMJGCKCLHODV-RBUKOAKNSA-N 2 1 347.503 1.337 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCc2ccccc2)C1 ZINC001031742531 698322474 /nfs/dbraw/zinc/32/24/74/698322474.db2.gz JOBKOQTVRRAAOI-FQEVSTJZSA-N 2 1 339.483 1.765 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCc2ccccc2)C1 ZINC001031742531 698322477 /nfs/dbraw/zinc/32/24/77/698322477.db2.gz JOBKOQTVRRAAOI-FQEVSTJZSA-N 2 1 339.483 1.765 20 30 EDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943772920 698879761 /nfs/dbraw/zinc/87/97/61/698879761.db2.gz WAWGOEXPUVXYMW-QAPCUYQASA-N 2 1 337.427 1.731 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943772920 698879763 /nfs/dbraw/zinc/87/97/63/698879763.db2.gz WAWGOEXPUVXYMW-QAPCUYQASA-N 2 1 337.427 1.731 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000941675136 701614967 /nfs/dbraw/zinc/61/49/67/701614967.db2.gz UZHIFCDGJVECEC-SFHVURJKSA-N 2 1 334.508 1.265 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941675136 701614968 /nfs/dbraw/zinc/61/49/68/701614968.db2.gz UZHIFCDGJVECEC-SFHVURJKSA-N 2 1 334.508 1.265 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nccs2)CC1 ZINC000940158230 700290618 /nfs/dbraw/zinc/29/06/18/700290618.db2.gz VVJJQYUMEDOZDP-HNNXBMFYSA-N 2 1 346.500 1.711 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nccs2)CC1 ZINC000940158230 700290621 /nfs/dbraw/zinc/29/06/21/700290621.db2.gz VVJJQYUMEDOZDP-HNNXBMFYSA-N 2 1 346.500 1.711 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2ncccn2)CC1 ZINC000996684405 702982047 /nfs/dbraw/zinc/98/20/47/702982047.db2.gz JMHSDJZATMLUOM-RDJZCZTQSA-N 2 1 341.459 1.216 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2ncccn2)CC1 ZINC000996684405 702982050 /nfs/dbraw/zinc/98/20/50/702982050.db2.gz JMHSDJZATMLUOM-RDJZCZTQSA-N 2 1 341.459 1.216 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2oc(C)nc2C)CC1 ZINC000996685055 702982921 /nfs/dbraw/zinc/98/29/21/702982921.db2.gz MEEUUVNUDBTJBS-KRWDZBQOSA-N 2 1 344.459 1.470 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2oc(C)nc2C)CC1 ZINC000996685055 702982923 /nfs/dbraw/zinc/98/29/23/702982923.db2.gz MEEUUVNUDBTJBS-KRWDZBQOSA-N 2 1 344.459 1.470 20 30 EDEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000996933681 703203321 /nfs/dbraw/zinc/20/33/21/703203321.db2.gz YGZDKNOARPBWHS-OAHLLOKOSA-N 2 1 329.872 1.429 20 30 EDEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000996933681 703203323 /nfs/dbraw/zinc/20/33/23/703203323.db2.gz YGZDKNOARPBWHS-OAHLLOKOSA-N 2 1 329.872 1.429 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084632 704154543 /nfs/dbraw/zinc/15/45/43/704154543.db2.gz IREXXQJOBJYWIX-INIZCTEOSA-N 2 1 333.480 1.557 20 30 EDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946591565 704194906 /nfs/dbraw/zinc/19/49/06/704194906.db2.gz ZDBQFPSIUUMSIP-OTWHNJEPSA-N 2 1 329.488 1.522 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cc(C)on2)CC1 ZINC000997832813 704752616 /nfs/dbraw/zinc/75/26/16/704752616.db2.gz WBRPROIFIZJTJV-SFHVURJKSA-N 2 1 344.459 1.409 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cc(C)on2)CC1 ZINC000997832813 704752617 /nfs/dbraw/zinc/75/26/17/704752617.db2.gz WBRPROIFIZJTJV-SFHVURJKSA-N 2 1 344.459 1.409 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C(F)(F)F ZINC000998316403 705736427 /nfs/dbraw/zinc/73/64/27/705736427.db2.gz QUQPJIRAAFPCDY-OLZOCXBDSA-N 2 1 328.338 1.194 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC000998927114 706354937 /nfs/dbraw/zinc/35/49/37/706354937.db2.gz BOXZKCQZJSLFTL-GPANFISMSA-N 2 1 339.430 1.708 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC000998927114 706354939 /nfs/dbraw/zinc/35/49/39/706354939.db2.gz BOXZKCQZJSLFTL-GPANFISMSA-N 2 1 339.430 1.708 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnoc2C)C1 ZINC000999390823 706904015 /nfs/dbraw/zinc/90/40/15/706904015.db2.gz IJCORHWXRDQQKR-SJORKVTESA-N 2 1 330.432 1.161 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnoc2C)C1 ZINC000999390823 706904017 /nfs/dbraw/zinc/90/40/17/706904017.db2.gz IJCORHWXRDQQKR-SJORKVTESA-N 2 1 330.432 1.161 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999715049 707252837 /nfs/dbraw/zinc/25/28/37/707252837.db2.gz SKGBJHKENLYJOG-CQSZACIVSA-N 2 1 343.456 1.906 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999838356 707410265 /nfs/dbraw/zinc/41/02/65/707410265.db2.gz WJRDALFXLODWDE-IYXRBSQSSA-N 2 1 332.473 1.650 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706183 707507413 /nfs/dbraw/zinc/50/74/13/707507413.db2.gz WPNNOJWLMIEVAC-MSOLQXFVSA-N 2 1 335.492 1.432 20 30 EDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706183 707507417 /nfs/dbraw/zinc/50/74/17/707507417.db2.gz WPNNOJWLMIEVAC-MSOLQXFVSA-N 2 1 335.492 1.432 20 30 EDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000948706183 707507421 /nfs/dbraw/zinc/50/74/21/707507421.db2.gz WPNNOJWLMIEVAC-MSOLQXFVSA-N 2 1 335.492 1.432 20 30 EDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000948706183 707507424 /nfs/dbraw/zinc/50/74/24/707507424.db2.gz WPNNOJWLMIEVAC-MSOLQXFVSA-N 2 1 335.492 1.432 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033666781 708452511 /nfs/dbraw/zinc/45/25/11/708452511.db2.gz ZJVSCZQLHWULGF-IEBWSBKVSA-N 2 1 343.446 1.662 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001033666781 708452513 /nfs/dbraw/zinc/45/25/13/708452513.db2.gz ZJVSCZQLHWULGF-IEBWSBKVSA-N 2 1 343.446 1.662 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001033666781 708452516 /nfs/dbraw/zinc/45/25/16/708452516.db2.gz ZJVSCZQLHWULGF-IEBWSBKVSA-N 2 1 343.446 1.662 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001033666781 708452518 /nfs/dbraw/zinc/45/25/18/708452518.db2.gz ZJVSCZQLHWULGF-IEBWSBKVSA-N 2 1 343.446 1.662 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(C)no3)C2)CC1 ZINC001033688483 708507042 /nfs/dbraw/zinc/50/70/42/708507042.db2.gz QXWIEFHUJLLTFE-QGZVFWFLSA-N 2 1 344.459 1.361 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(C)no3)C2)CC1 ZINC001033688483 708507045 /nfs/dbraw/zinc/50/70/45/708507045.db2.gz QXWIEFHUJLLTFE-QGZVFWFLSA-N 2 1 344.459 1.361 20 30 EDEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033955208 709136388 /nfs/dbraw/zinc/13/63/88/709136388.db2.gz WTGVDWFMVORMFU-IBGZPJMESA-N 2 1 327.472 1.960 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@@H](CC)OC)C2)CC1 ZINC001034538555 710211708 /nfs/dbraw/zinc/21/17/08/710211708.db2.gz PIVUHGHCEJRDKW-RBUKOAKNSA-N 2 1 349.519 1.727 20 30 EDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC001005622790 710739619 /nfs/dbraw/zinc/73/96/19/710739619.db2.gz LOEVTJHCUCXTOA-HNNXBMFYSA-N 2 1 328.460 1.769 20 30 EDEDMP CN(CC#CCN(C)[C@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000341883840 282337735 /nfs/dbraw/zinc/33/77/35/282337735.db2.gz ORJQAIBKZZEJAE-BGYRXZFFSA-N 2 1 330.520 1.327 20 30 EDEDMP CN(CC#CCN(C)[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000341883840 282337739 /nfs/dbraw/zinc/33/77/39/282337739.db2.gz ORJQAIBKZZEJAE-BGYRXZFFSA-N 2 1 330.520 1.327 20 30 EDEDMP CN(CC#CCN(C)[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000341883840 282337742 /nfs/dbraw/zinc/33/77/42/282337742.db2.gz ORJQAIBKZZEJAE-BGYRXZFFSA-N 2 1 330.520 1.327 20 30 EDEDMP C[C@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000561091698 306282178 /nfs/dbraw/zinc/28/21/78/306282178.db2.gz KRRKKNNUJJNJKD-KRWDZBQOSA-N 2 1 340.471 1.934 20 30 EDEDMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000561091698 306282179 /nfs/dbraw/zinc/28/21/79/306282179.db2.gz KRRKKNNUJJNJKD-KRWDZBQOSA-N 2 1 340.471 1.934 20 30 EDEDMP C[C@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000561091698 306282180 /nfs/dbraw/zinc/28/21/80/306282180.db2.gz KRRKKNNUJJNJKD-KRWDZBQOSA-N 2 1 340.471 1.934 20 30 EDEDMP C[C@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000561091698 306282181 /nfs/dbraw/zinc/28/21/81/306282181.db2.gz KRRKKNNUJJNJKD-KRWDZBQOSA-N 2 1 340.471 1.934 20 30 EDEDMP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cn1 ZINC000424185476 252155849 /nfs/dbraw/zinc/15/58/49/252155849.db2.gz ZZLHQBBYDXCKJS-KRWDZBQOSA-N 2 1 346.479 1.349 20 30 EDEDMP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cn1 ZINC000424185476 252155856 /nfs/dbraw/zinc/15/58/56/252155856.db2.gz ZZLHQBBYDXCKJS-KRWDZBQOSA-N 2 1 346.479 1.349 20 30 EDEDMP C#CCN1CCN(C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000490947911 255111583 /nfs/dbraw/zinc/11/15/83/255111583.db2.gz BHVJFOZFWMAQHK-QZTJIDSGSA-N 2 1 346.519 1.006 20 30 EDEDMP C#CCN1CCN(C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000490947911 255111585 /nfs/dbraw/zinc/11/15/85/255111585.db2.gz BHVJFOZFWMAQHK-QZTJIDSGSA-N 2 1 346.519 1.006 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@@H+](CCOC)C[C@@H]2CC=CCC2)CC1 ZINC000491667256 255137702 /nfs/dbraw/zinc/13/77/02/255137702.db2.gz MRTVNKBFLLOUFI-GOSISDBHSA-N 2 1 333.476 1.069 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(N2CCCC2=O)c1 ZINC000170904658 442286502 /nfs/dbraw/zinc/28/65/02/442286502.db2.gz VJETVURAIPPEGV-KRWDZBQOSA-N 2 1 343.475 1.702 20 30 EDEDMP C[NH+]1CCN(c2ncccc2CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170911977 442286959 /nfs/dbraw/zinc/28/69/59/442286959.db2.gz YALZRERXFLRCLY-UHFFFAOYSA-N 2 1 325.420 1.155 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ncccc1Cl ZINC000268436497 442988441 /nfs/dbraw/zinc/98/84/41/442988441.db2.gz KIEGCTPRJISIJD-LBPRGKRZSA-N 2 1 325.844 1.502 20 30 EDEDMP C[NH+]=C(NCc1c(C)noc1C)NC[C@@]1([NH+](C)C)CCSC1 ZINC000261971921 443177632 /nfs/dbraw/zinc/17/76/32/443177632.db2.gz QLKPDLBMLNUIDO-HNNXBMFYSA-N 2 1 325.482 1.394 20 30 EDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261655955 443162770 /nfs/dbraw/zinc/16/27/70/443162770.db2.gz ADFPKOVEIJSOPV-HOCLYGCPSA-N 2 1 329.452 1.547 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000296699233 444248584 /nfs/dbraw/zinc/24/85/84/444248584.db2.gz YWTXGDIEGDHLQJ-OAHLLOKOSA-N 2 1 348.516 1.749 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000296699233 444248585 /nfs/dbraw/zinc/24/85/85/444248585.db2.gz YWTXGDIEGDHLQJ-OAHLLOKOSA-N 2 1 348.516 1.749 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000296699233 444248588 /nfs/dbraw/zinc/24/85/88/444248588.db2.gz YWTXGDIEGDHLQJ-OAHLLOKOSA-N 2 1 348.516 1.749 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000296699233 444248591 /nfs/dbraw/zinc/24/85/91/444248591.db2.gz YWTXGDIEGDHLQJ-OAHLLOKOSA-N 2 1 348.516 1.749 20 30 EDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000303896491 444237670 /nfs/dbraw/zinc/23/76/70/444237670.db2.gz QAYKLBLVYDQESR-AWEZNQCLSA-N 2 1 339.484 1.386 20 30 EDEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000330250902 444907461 /nfs/dbraw/zinc/90/74/61/444907461.db2.gz NDQLMHAQENIMLE-ZWKOTPCHSA-N 2 1 332.492 1.945 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000364547092 445931825 /nfs/dbraw/zinc/93/18/25/445931825.db2.gz OVDIOYZMLKQAQX-YTQUADARSA-N 2 1 347.503 1.337 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361943283 446091976 /nfs/dbraw/zinc/09/19/76/446091976.db2.gz ZFXFNLAWJQXXGZ-HUUCEWRRSA-N 2 1 347.463 1.871 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361943283 446091984 /nfs/dbraw/zinc/09/19/84/446091984.db2.gz ZFXFNLAWJQXXGZ-HUUCEWRRSA-N 2 1 347.463 1.871 20 30 EDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424150946 446860326 /nfs/dbraw/zinc/86/03/26/446860326.db2.gz GUHVDTNQBWDKPX-IXDOHACOSA-N 2 1 335.496 1.025 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000491805357 448133367 /nfs/dbraw/zinc/13/33/67/448133367.db2.gz OECKXSSFTJOUJH-WMZOPIPTSA-N 2 1 332.492 1.600 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000491805357 448133371 /nfs/dbraw/zinc/13/33/71/448133371.db2.gz OECKXSSFTJOUJH-WMZOPIPTSA-N 2 1 332.492 1.600 20 30 EDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(CC#N)CC3)CC2)CC1 ZINC000581319737 448972254 /nfs/dbraw/zinc/97/22/54/448972254.db2.gz JXLOIFSHIRUQBX-UHFFFAOYSA-N 2 1 332.492 1.993 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(F)cc(C#N)cc1F ZINC000597943045 449152464 /nfs/dbraw/zinc/15/24/64/449152464.db2.gz SSHVPLUZXKNEGB-LBPRGKRZSA-N 2 1 338.402 1.838 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(F)cc(C#N)cc1F ZINC000597943045 449152466 /nfs/dbraw/zinc/15/24/66/449152466.db2.gz SSHVPLUZXKNEGB-LBPRGKRZSA-N 2 1 338.402 1.838 20 30 EDEDMP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595961829 449283476 /nfs/dbraw/zinc/28/34/76/449283476.db2.gz URJZCUVKXTWKNZ-ROUUACIJSA-N 2 1 344.459 1.281 20 30 EDEDMP CN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609559257 450051643 /nfs/dbraw/zinc/05/16/43/450051643.db2.gz DTDHKRLVZKOIGW-LJQANCHMSA-N 2 1 340.471 1.728 20 30 EDEDMP C=C(C)[C@@H](CO)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000671720278 486730540 /nfs/dbraw/zinc/73/05/40/486730540.db2.gz LOXIEDLRODGQKZ-WOJBJXKFSA-N 2 1 329.488 1.816 20 30 EDEDMP C=C(C)[C@@H](CO)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000671720278 486730543 /nfs/dbraw/zinc/73/05/43/486730543.db2.gz LOXIEDLRODGQKZ-WOJBJXKFSA-N 2 1 329.488 1.816 20 30 EDEDMP N#Cc1cnn2c1NC[C@@H](C[NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000733331037 578759888 /nfs/dbraw/zinc/75/98/88/578759888.db2.gz XVOAEVFFXKZVSQ-RHSMWYFYSA-N 2 1 344.463 1.029 20 30 EDEDMP COc1ccc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)cc1C#N ZINC000779652566 580493151 /nfs/dbraw/zinc/49/31/51/580493151.db2.gz UWXPKYWJXYLMQS-MRXNPFEDSA-N 2 1 332.404 1.675 20 30 EDEDMP COc1ccc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)cc1C#N ZINC000779652566 580493152 /nfs/dbraw/zinc/49/31/52/580493152.db2.gz UWXPKYWJXYLMQS-MRXNPFEDSA-N 2 1 332.404 1.675 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000900257135 591962484 /nfs/dbraw/zinc/96/24/84/591962484.db2.gz XIJZQGJPOYGILR-UHFFFAOYSA-N 2 1 331.460 1.643 20 30 EDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903819950 592332981 /nfs/dbraw/zinc/33/29/81/592332981.db2.gz RDEBUBDNKYMOFT-QGZVFWFLSA-N 2 1 345.443 1.142 20 30 EDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903819950 592332987 /nfs/dbraw/zinc/33/29/87/592332987.db2.gz RDEBUBDNKYMOFT-QGZVFWFLSA-N 2 1 345.443 1.142 20 30 EDEDMP C=CCN1CCN(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000840018066 593373789 /nfs/dbraw/zinc/37/37/89/593373789.db2.gz KCZFRVHHCYDPGR-UHFFFAOYSA-N 2 1 336.480 1.444 20 30 EDEDMP CN(CCC#N)C[C@@H](O)CNc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000819409400 593753762 /nfs/dbraw/zinc/75/37/62/593753762.db2.gz AWWNTBUALIJHNT-IBGZPJMESA-N 2 1 345.491 1.447 20 30 EDEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000834499868 595145581 /nfs/dbraw/zinc/14/55/81/595145581.db2.gz NQFBTUBOSSTYEB-ZMSDIMECSA-N 2 1 330.407 1.265 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000852791282 595543909 /nfs/dbraw/zinc/54/39/09/595543909.db2.gz YFBNCTYMIDKHFV-UHFFFAOYSA-N 2 1 325.456 1.724 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849522108 595558321 /nfs/dbraw/zinc/55/83/21/595558321.db2.gz JJIROEXYIIKPLW-QZTJIDSGSA-N 2 1 345.491 1.222 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852884200 595597857 /nfs/dbraw/zinc/59/78/57/595597857.db2.gz GSSVUPYAKXYBFK-APWZRJJASA-N 2 1 325.456 1.626 20 30 EDEDMP C=CCNC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856600176 596030701 /nfs/dbraw/zinc/03/07/01/596030701.db2.gz XIOIQLSJCSSHQU-GOSISDBHSA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856600176 596030706 /nfs/dbraw/zinc/03/07/06/596030706.db2.gz XIOIQLSJCSSHQU-GOSISDBHSA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856600176 596030711 /nfs/dbraw/zinc/03/07/11/596030711.db2.gz XIOIQLSJCSSHQU-GOSISDBHSA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856600176 596030716 /nfs/dbraw/zinc/03/07/16/596030716.db2.gz XIOIQLSJCSSHQU-GOSISDBHSA-N 2 1 346.475 1.677 20 30 EDEDMP C[N@@H+](CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000867962007 596636061 /nfs/dbraw/zinc/63/60/61/596636061.db2.gz JNOQMMBDOFZYMK-FQEVSTJZSA-N 2 1 348.450 1.993 20 30 EDEDMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876970055 597401523 /nfs/dbraw/zinc/40/15/23/597401523.db2.gz HTFXGNIXVSEJHJ-DNVCBOLYSA-N 2 1 340.471 1.982 20 30 EDEDMP CC[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2CC)ccc1C#N ZINC000882959274 598116915 /nfs/dbraw/zinc/11/69/15/598116915.db2.gz AAVBWIQFRBOJOS-JKSUJKDBSA-N 2 1 328.464 1.965 20 30 EDEDMP CC[NH+]1CC[C@H]1CNc1ccc(C#N)c(NC[C@H]2CC[N@@H+]2CC)n1 ZINC000882959274 598116919 /nfs/dbraw/zinc/11/69/19/598116919.db2.gz AAVBWIQFRBOJOS-JKSUJKDBSA-N 2 1 328.464 1.965 20 30 EDEDMP CC[NH+]1CC[C@H]1CNc1ccc(C#N)c(NC[C@H]2CC[N@H+]2CC)n1 ZINC000882959274 598116922 /nfs/dbraw/zinc/11/69/22/598116922.db2.gz AAVBWIQFRBOJOS-JKSUJKDBSA-N 2 1 328.464 1.965 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccc(C)cc2)C1 ZINC001031741194 698313409 /nfs/dbraw/zinc/31/34/09/698313409.db2.gz RHJBGDNYRMBQHK-FQEVSTJZSA-N 2 1 339.483 1.683 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccc(C)cc2)C1 ZINC001031741194 698313411 /nfs/dbraw/zinc/31/34/11/698313411.db2.gz RHJBGDNYRMBQHK-FQEVSTJZSA-N 2 1 339.483 1.683 20 30 EDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943772919 698879708 /nfs/dbraw/zinc/87/97/08/698879708.db2.gz WAWGOEXPUVXYMW-MAUKXSAKSA-N 2 1 337.427 1.731 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943772919 698879713 /nfs/dbraw/zinc/87/97/13/698879713.db2.gz WAWGOEXPUVXYMW-MAUKXSAKSA-N 2 1 337.427 1.731 20 30 EDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000939148407 699251260 /nfs/dbraw/zinc/25/12/60/699251260.db2.gz TZMNMYGUWZAWDH-RHSMWYFYSA-N 2 1 332.448 1.897 20 30 EDEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1(C)C ZINC000995851039 702157084 /nfs/dbraw/zinc/15/70/84/702157084.db2.gz XOAJWNHYLYPWHT-JKSUJKDBSA-N 2 1 331.464 1.803 20 30 EDEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1(C)C ZINC000995851039 702157088 /nfs/dbraw/zinc/15/70/88/702157088.db2.gz XOAJWNHYLYPWHT-JKSUJKDBSA-N 2 1 331.464 1.803 20 30 EDEDMP C=C(Br)C[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000996798288 703090582 /nfs/dbraw/zinc/09/05/82/703090582.db2.gz KTBDSDHOUULMEQ-UHFFFAOYSA-N 2 1 341.253 1.681 20 30 EDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946591509 704193438 /nfs/dbraw/zinc/19/34/38/704193438.db2.gz WSBOCGYOJFLDHN-FCGDIQPGSA-N 2 1 329.488 1.664 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591509 704193439 /nfs/dbraw/zinc/19/34/39/704193439.db2.gz WSBOCGYOJFLDHN-FCGDIQPGSA-N 2 1 329.488 1.664 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591509 704193440 /nfs/dbraw/zinc/19/34/40/704193440.db2.gz WSBOCGYOJFLDHN-FCGDIQPGSA-N 2 1 329.488 1.664 20 30 EDEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004381381 704347366 /nfs/dbraw/zinc/34/73/66/704347366.db2.gz RZDXLDWRAKJPDZ-ROUUACIJSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004381381 704347368 /nfs/dbraw/zinc/34/73/68/704347368.db2.gz RZDXLDWRAKJPDZ-ROUUACIJSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004381381 704347371 /nfs/dbraw/zinc/34/73/71/704347371.db2.gz RZDXLDWRAKJPDZ-ROUUACIJSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004381381 704347374 /nfs/dbraw/zinc/34/73/74/704347374.db2.gz RZDXLDWRAKJPDZ-ROUUACIJSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000997832450 704750805 /nfs/dbraw/zinc/75/08/05/704750805.db2.gz SHBJFPANOGBQPQ-INIZCTEOSA-N 2 1 346.500 1.569 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000997832450 704750807 /nfs/dbraw/zinc/75/08/07/704750807.db2.gz SHBJFPANOGBQPQ-INIZCTEOSA-N 2 1 346.500 1.569 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942780 704795210 /nfs/dbraw/zinc/79/52/10/704795210.db2.gz DAQAUNVYBKKZMN-APWZRJJASA-N 2 1 340.471 1.981 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C(F)(F)F ZINC000998298616 705702173 /nfs/dbraw/zinc/70/21/73/705702173.db2.gz YNSVJHQOQOGTPX-UONOGXRCSA-N 2 1 345.409 1.721 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C(F)(F)F ZINC000998298616 705702178 /nfs/dbraw/zinc/70/21/78/705702178.db2.gz YNSVJHQOQOGTPX-UONOGXRCSA-N 2 1 345.409 1.721 20 30 EDEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC000998318757 705742570 /nfs/dbraw/zinc/74/25/70/705742570.db2.gz XMLAVWYBHGTNLX-QWHCGFSZSA-N 2 1 330.354 1.747 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000921660793 705884089 /nfs/dbraw/zinc/88/40/89/705884089.db2.gz CZXHXNKEWFMRLO-SFHVURJKSA-N 2 1 326.444 1.570 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000921660793 705884092 /nfs/dbraw/zinc/88/40/92/705884092.db2.gz CZXHXNKEWFMRLO-SFHVURJKSA-N 2 1 326.444 1.570 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033664895 708446926 /nfs/dbraw/zinc/44/69/26/708446926.db2.gz JWUWJQMVUYNJJL-OALUTQOASA-N 2 1 325.456 1.523 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033664895 708446927 /nfs/dbraw/zinc/44/69/27/708446927.db2.gz JWUWJQMVUYNJJL-OALUTQOASA-N 2 1 325.456 1.523 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033664895 708446928 /nfs/dbraw/zinc/44/69/28/708446928.db2.gz JWUWJQMVUYNJJL-OALUTQOASA-N 2 1 325.456 1.523 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033664895 708446929 /nfs/dbraw/zinc/44/69/29/708446929.db2.gz JWUWJQMVUYNJJL-OALUTQOASA-N 2 1 325.456 1.523 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H](CC)OC)C2)CC1 ZINC001033686061 708500332 /nfs/dbraw/zinc/50/03/32/708500332.db2.gz ZGNVQTGMYDFIHT-QZTJIDSGSA-N 2 1 335.492 1.289 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001033689437 708519351 /nfs/dbraw/zinc/51/93/51/708519351.db2.gz YSKIDDBKRLXDEC-IBGZPJMESA-N 2 1 340.471 1.460 20 30 EDEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033905911 709033894 /nfs/dbraw/zinc/03/38/94/709033894.db2.gz MTYKWCGZGURTCF-VZDIDWBNSA-N 2 1 333.476 1.349 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033905911 709033896 /nfs/dbraw/zinc/03/38/96/709033896.db2.gz MTYKWCGZGURTCF-VZDIDWBNSA-N 2 1 333.476 1.349 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033905911 709033899 /nfs/dbraw/zinc/03/38/99/709033899.db2.gz MTYKWCGZGURTCF-VZDIDWBNSA-N 2 1 333.476 1.349 20 30 EDEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034435240 710007896 /nfs/dbraw/zinc/00/78/96/710007896.db2.gz IARUMSJFWFRQGW-KRWDZBQOSA-N 2 1 333.480 1.605 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034664841 710334229 /nfs/dbraw/zinc/33/42/29/710334229.db2.gz SOXHTZUAMUTGIE-ULQDDVLXSA-N 2 1 343.475 1.035 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034664841 710334232 /nfs/dbraw/zinc/33/42/32/710334232.db2.gz SOXHTZUAMUTGIE-ULQDDVLXSA-N 2 1 343.475 1.035 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001034883983 711287057 /nfs/dbraw/zinc/28/70/57/711287057.db2.gz YNLIDVRERSCUPF-QZTJIDSGSA-N 2 1 326.444 1.733 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004576033 712003050 /nfs/dbraw/zinc/00/30/50/712003050.db2.gz KWJHUXKKLPLAIC-SFHVURJKSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004576033 712003051 /nfs/dbraw/zinc/00/30/51/712003051.db2.gz KWJHUXKKLPLAIC-SFHVURJKSA-N 2 1 333.476 1.045 20 30 EDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]2C1 ZINC000946654081 712219584 /nfs/dbraw/zinc/21/95/84/712219584.db2.gz WGLNWFIUJDLMGZ-GASCZTMLSA-N 2 1 332.448 1.706 20 30 EDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]2C1 ZINC000946654081 712219585 /nfs/dbraw/zinc/21/95/85/712219585.db2.gz WGLNWFIUJDLMGZ-GASCZTMLSA-N 2 1 332.448 1.706 20 30 EDEDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000114751238 138310513 /nfs/dbraw/zinc/31/05/13/138310513.db2.gz POOGAQCCHNYHLZ-NVXWUHKLSA-N 2 1 335.411 1.773 20 30 EDEDMP C[NH2+]C[C@@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418383534 251364397 /nfs/dbraw/zinc/36/43/97/251364397.db2.gz JGXPGRHMJGQACJ-MRXNPFEDSA-N 2 1 343.475 1.631 20 30 EDEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000424135363 252138877 /nfs/dbraw/zinc/13/88/77/252138877.db2.gz MEOPXEAXZHIDAY-QGZVFWFLSA-N 2 1 332.423 1.881 20 30 EDEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000424135363 252138875 /nfs/dbraw/zinc/13/88/75/252138875.db2.gz MEOPXEAXZHIDAY-QGZVFWFLSA-N 2 1 332.423 1.881 20 30 EDEDMP N#Cc1ncn(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)n1 ZINC000287641010 288282890 /nfs/dbraw/zinc/28/28/90/288282890.db2.gz UOVNVXSRQMOVCD-UHFFFAOYSA-N 2 1 342.422 1.586 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000159249748 441799054 /nfs/dbraw/zinc/79/90/54/441799054.db2.gz MELBIEIVGKOVEY-INIZCTEOSA-N 2 1 338.496 1.294 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(C)c2ccccc21 ZINC000170907814 442286656 /nfs/dbraw/zinc/28/66/56/442286656.db2.gz JUFQIVAHQZYKAM-JKSUJKDBSA-N 2 1 329.492 1.999 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261884774 443173417 /nfs/dbraw/zinc/17/34/17/443173417.db2.gz YZYJVZCKVIRCLZ-IMJJTQAJSA-N 2 1 330.432 1.061 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261884774 443173421 /nfs/dbraw/zinc/17/34/21/443173421.db2.gz YZYJVZCKVIRCLZ-IMJJTQAJSA-N 2 1 330.432 1.061 20 30 EDEDMP CCN1CC[NH+](Cc2ccccc2C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000262009368 443179540 /nfs/dbraw/zinc/17/95/40/443179540.db2.gz SQTXWFXZSNLUIU-UHFFFAOYSA-N 2 1 331.508 1.803 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cccc2cccnc21 ZINC000264116699 443250034 /nfs/dbraw/zinc/25/00/34/443250034.db2.gz PYOUPWPPKFQZLB-UHFFFAOYSA-N 2 1 341.459 1.404 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(-c2ccccc2)c1 ZINC000264123010 443251030 /nfs/dbraw/zinc/25/10/30/443251030.db2.gz RLYCNSGYDAOLMB-QGZVFWFLSA-N 2 1 326.448 1.761 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc2c1OCCCO2 ZINC000269306632 443275556 /nfs/dbraw/zinc/27/55/56/443275556.db2.gz UALODSVWNCSDJJ-HNNXBMFYSA-N 2 1 332.448 1.737 20 30 EDEDMP Cn1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1C#N ZINC000191332505 443279375 /nfs/dbraw/zinc/27/93/75/443279375.db2.gz SRMVGUOMNDBQJG-UHFFFAOYSA-N 2 1 343.475 1.273 20 30 EDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)c(OC)c3)C2)CC1 ZINC000282490973 443354308 /nfs/dbraw/zinc/35/43/08/443354308.db2.gz XMSUIFQPJBASJO-SFHVURJKSA-N 2 1 328.460 1.779 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000267478056 443471689 /nfs/dbraw/zinc/47/16/89/443471689.db2.gz ZYABTLNQYAFEKV-UHFFFAOYSA-N 2 1 343.475 1.189 20 30 EDEDMP Cc1csc([C@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000273507286 443576610 /nfs/dbraw/zinc/57/66/10/443576610.db2.gz QGFDXMUXDMLLIQ-GFCCVEGCSA-N 2 1 325.482 1.182 20 30 EDEDMP C[N@@H+](C[C@H](O)CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000290033026 444233461 /nfs/dbraw/zinc/23/34/61/444233461.db2.gz QJKYXLQCUGJAEH-FQEVSTJZSA-N 2 1 342.487 1.521 20 30 EDEDMP C[NH+](C[C@H](O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000290033026 444233463 /nfs/dbraw/zinc/23/34/63/444233463.db2.gz QJKYXLQCUGJAEH-FQEVSTJZSA-N 2 1 342.487 1.521 20 30 EDEDMP C[NH+](C[C@H](O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000290033026 444233465 /nfs/dbraw/zinc/23/34/65/444233465.db2.gz QJKYXLQCUGJAEH-FQEVSTJZSA-N 2 1 342.487 1.521 20 30 EDEDMP Cc1noc([C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000328945849 444416723 /nfs/dbraw/zinc/41/67/23/444416723.db2.gz AZMGAIWKBKMEOP-AWEZNQCLSA-N 2 1 335.452 1.997 20 30 EDEDMP Cc1noc([C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000328945849 444416724 /nfs/dbraw/zinc/41/67/24/444416724.db2.gz AZMGAIWKBKMEOP-AWEZNQCLSA-N 2 1 335.452 1.997 20 30 EDEDMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000331240063 444454667 /nfs/dbraw/zinc/45/46/67/444454667.db2.gz WNFLTXAWUICQOP-OAHLLOKOSA-N 2 1 340.512 1.552 20 30 EDEDMP Cc1noc([C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n1 ZINC000329068410 444464100 /nfs/dbraw/zinc/46/41/00/444464100.db2.gz XNHKNUCRFASWCB-ZDUSSCGKSA-N 2 1 333.436 1.751 20 30 EDEDMP Cc1noc([C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n1 ZINC000329068410 444464104 /nfs/dbraw/zinc/46/41/04/444464104.db2.gz XNHKNUCRFASWCB-ZDUSSCGKSA-N 2 1 333.436 1.751 20 30 EDEDMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H]3C[NH+]4CCN3CCC4)sc2C1 ZINC000329546767 444624053 /nfs/dbraw/zinc/62/40/53/444624053.db2.gz IFCMYZSSYJSMAI-CQSZACIVSA-N 2 1 349.504 1.888 20 30 EDEDMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H]3C[NH+]4CCN3CCC4)sc2C1 ZINC000329546767 444624055 /nfs/dbraw/zinc/62/40/55/444624055.db2.gz IFCMYZSSYJSMAI-CQSZACIVSA-N 2 1 349.504 1.888 20 30 EDEDMP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)sc2C1 ZINC000329546767 444624059 /nfs/dbraw/zinc/62/40/59/444624059.db2.gz IFCMYZSSYJSMAI-CQSZACIVSA-N 2 1 349.504 1.888 20 30 EDEDMP CC(C)[NH+]1CCc2nc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)sc2C1 ZINC000329546767 444624062 /nfs/dbraw/zinc/62/40/62/444624062.db2.gz IFCMYZSSYJSMAI-CQSZACIVSA-N 2 1 349.504 1.888 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@@H+]2C)CC1 ZINC000347087306 445231257 /nfs/dbraw/zinc/23/12/57/445231257.db2.gz GMFPDDKOXWTMDB-DLBZAZTESA-N 2 1 338.496 1.387 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000348301026 445248235 /nfs/dbraw/zinc/24/82/35/445248235.db2.gz FVVDIKMUSWFKGZ-JYJNAYRXSA-N 2 1 338.496 1.877 20 30 EDEDMP C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366000009 445954156 /nfs/dbraw/zinc/95/41/56/445954156.db2.gz HVEZBNKBHVGYQO-OAHLLOKOSA-N 2 1 328.420 1.033 20 30 EDEDMP C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366000009 445954161 /nfs/dbraw/zinc/95/41/61/445954161.db2.gz HVEZBNKBHVGYQO-OAHLLOKOSA-N 2 1 328.420 1.033 20 30 EDEDMP C=C[C@@](C)(CCOC)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364842783 445960828 /nfs/dbraw/zinc/96/08/28/445960828.db2.gz BATZPTPTFNJFDK-MJGOQNOKSA-N 2 1 337.508 1.842 20 30 EDEDMP C=C[C@@](C)(CCOC)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364842783 445960832 /nfs/dbraw/zinc/96/08/32/445960832.db2.gz BATZPTPTFNJFDK-MJGOQNOKSA-N 2 1 337.508 1.842 20 30 EDEDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000576389721 448042382 /nfs/dbraw/zinc/04/23/82/448042382.db2.gz AAPAMYCUXIGWRA-HOJAQTOUSA-N 2 1 344.503 1.835 20 30 EDEDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000576389721 448042383 /nfs/dbraw/zinc/04/23/83/448042383.db2.gz AAPAMYCUXIGWRA-HOJAQTOUSA-N 2 1 344.503 1.835 20 30 EDEDMP N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000591726579 448474295 /nfs/dbraw/zinc/47/42/95/448474295.db2.gz QJLNUZZHTRUKIG-RCCFBDPRSA-N 2 1 329.444 1.709 20 30 EDEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000598703060 449554536 /nfs/dbraw/zinc/55/45/36/449554536.db2.gz BZHACFQBAIFXMW-GOSISDBHSA-N 2 1 331.460 1.909 20 30 EDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594438533 449517654 /nfs/dbraw/zinc/51/76/54/449517654.db2.gz JXJSELHWEQLDPU-AWEZNQCLSA-N 3 1 330.436 1.183 20 30 EDEDMP CN(C(=O)c1ccc(C#N)cn1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609559786 450051545 /nfs/dbraw/zinc/05/15/45/450051545.db2.gz OGFAUXMNQRMIIP-MRXNPFEDSA-N 2 1 327.432 1.194 20 30 EDEDMP N#Cc1cc(Cl)ccc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603245226 450173655 /nfs/dbraw/zinc/17/36/55/450173655.db2.gz ZFZVGMVOORFQGO-UHFFFAOYSA-N 2 1 344.850 1.817 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1-n1ccnc1 ZINC000264074702 535550013 /nfs/dbraw/zinc/55/00/13/535550013.db2.gz FIHYWPPJMRNTDK-MRXNPFEDSA-N 2 1 326.448 1.761 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000751384513 579803949 /nfs/dbraw/zinc/80/39/49/579803949.db2.gz RFSRCOULBXSDQH-SFHVURJKSA-N 2 1 333.476 1.045 20 30 EDEDMP C#C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000775793700 580400870 /nfs/dbraw/zinc/40/08/70/580400870.db2.gz NCCXTXYAEWJYBY-BZSNNMDCSA-N 2 1 329.444 1.176 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CCn2cccn2)C[C@@H]1CC ZINC000900766942 592118366 /nfs/dbraw/zinc/11/83/66/592118366.db2.gz XMAQRFJULBBHSU-KRWDZBQOSA-N 2 1 333.480 1.314 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CCn2cccn2)C[C@@H]1CC ZINC000900766942 592118370 /nfs/dbraw/zinc/11/83/70/592118370.db2.gz XMAQRFJULBBHSU-KRWDZBQOSA-N 2 1 333.480 1.314 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000900818989 592136993 /nfs/dbraw/zinc/13/69/93/592136993.db2.gz PVWLFJSKLLUPLY-MJGOQNOKSA-N 2 1 345.487 1.900 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000900818989 592136995 /nfs/dbraw/zinc/13/69/95/592136995.db2.gz PVWLFJSKLLUPLY-MJGOQNOKSA-N 2 1 345.487 1.900 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000856328149 595955680 /nfs/dbraw/zinc/95/56/80/595955680.db2.gz JWCICTSKEFDEMB-GOSISDBHSA-N 2 1 330.476 1.037 20 30 EDEDMP C#C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000872215647 596839196 /nfs/dbraw/zinc/83/91/96/596839196.db2.gz DPSPBQFQRHLFPQ-VQTJNVASSA-N 2 1 328.456 1.641 20 30 EDEDMP C#C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000872215647 596839199 /nfs/dbraw/zinc/83/91/99/596839199.db2.gz DPSPBQFQRHLFPQ-VQTJNVASSA-N 2 1 328.456 1.641 20 30 EDEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876801653 597345180 /nfs/dbraw/zinc/34/51/80/597345180.db2.gz HFZKNSSUZRMDQE-KZNAEPCWSA-N 2 1 338.455 1.516 20 30 EDEDMP CN(C)c1ccc(C#N)cc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000877640628 597543383 /nfs/dbraw/zinc/54/33/83/597543383.db2.gz QKTCEZQMHKWJHC-GOSISDBHSA-N 2 1 328.460 1.655 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)CC1 ZINC000879705058 597695829 /nfs/dbraw/zinc/69/58/29/597695829.db2.gz ZDYHHLDJGYJWKP-UHFFFAOYSA-N 2 1 348.535 1.064 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993359896 696005855 /nfs/dbraw/zinc/00/58/55/696005855.db2.gz DSEQIIMKZDBIDU-JKSUJKDBSA-N 2 1 333.480 1.604 20 30 EDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993622274 696266072 /nfs/dbraw/zinc/26/60/72/696266072.db2.gz OGMWPXSJFNNUNP-HZPDHXFCSA-N 2 1 328.460 1.754 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000993622274 696266074 /nfs/dbraw/zinc/26/60/74/696266074.db2.gz OGMWPXSJFNNUNP-HZPDHXFCSA-N 2 1 328.460 1.754 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941231925 701405522 /nfs/dbraw/zinc/40/55/22/701405522.db2.gz YONHYOSSFBKNON-IAGOWNOFSA-N 2 1 337.508 1.890 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941231925 701405524 /nfs/dbraw/zinc/40/55/24/701405524.db2.gz YONHYOSSFBKNON-IAGOWNOFSA-N 2 1 337.508 1.890 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231925 701405526 /nfs/dbraw/zinc/40/55/26/701405526.db2.gz YONHYOSSFBKNON-IAGOWNOFSA-N 2 1 337.508 1.890 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231925 701405527 /nfs/dbraw/zinc/40/55/27/701405527.db2.gz YONHYOSSFBKNON-IAGOWNOFSA-N 2 1 337.508 1.890 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccon2)C(C)(C)C1 ZINC000995921410 702243387 /nfs/dbraw/zinc/24/33/87/702243387.db2.gz HYXGPDVNWLVPAI-JKSUJKDBSA-N 2 1 330.432 1.099 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996187459 702592022 /nfs/dbraw/zinc/59/20/22/702592022.db2.gz LXESUKOFWQHTFT-CABCVRRESA-N 2 1 343.899 1.675 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996187459 702592027 /nfs/dbraw/zinc/59/20/27/702592027.db2.gz LXESUKOFWQHTFT-CABCVRRESA-N 2 1 343.899 1.675 20 30 EDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032444350 703621301 /nfs/dbraw/zinc/62/13/01/703621301.db2.gz VZSBZBAGUFLXEY-BZSNNMDCSA-N 2 1 333.476 1.491 20 30 EDEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032444350 703621302 /nfs/dbraw/zinc/62/13/02/703621302.db2.gz VZSBZBAGUFLXEY-BZSNNMDCSA-N 2 1 333.476 1.491 20 30 EDEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032444350 703621304 /nfs/dbraw/zinc/62/13/04/703621304.db2.gz VZSBZBAGUFLXEY-BZSNNMDCSA-N 2 1 333.476 1.491 20 30 EDEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001032444350 703621306 /nfs/dbraw/zinc/62/13/06/703621306.db2.gz VZSBZBAGUFLXEY-BZSNNMDCSA-N 2 1 333.476 1.491 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCF)CC1 ZINC001004457341 704450568 /nfs/dbraw/zinc/45/05/68/704450568.db2.gz KCNXVWIISAXNQK-MSOLQXFVSA-N 2 1 335.467 1.757 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCF)CC1 ZINC001004457341 704450569 /nfs/dbraw/zinc/45/05/69/704450569.db2.gz KCNXVWIISAXNQK-MSOLQXFVSA-N 2 1 335.467 1.757 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCF)CC1 ZINC001004457341 704450570 /nfs/dbraw/zinc/45/05/70/704450570.db2.gz KCNXVWIISAXNQK-MSOLQXFVSA-N 2 1 335.467 1.757 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCF)CC1 ZINC001004457341 704450571 /nfs/dbraw/zinc/45/05/71/704450571.db2.gz KCNXVWIISAXNQK-MSOLQXFVSA-N 2 1 335.467 1.757 20 30 EDEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997723948 704620249 /nfs/dbraw/zinc/62/02/49/704620249.db2.gz HAJADTGEASSTDA-FUHWJXTLSA-N 2 1 337.508 1.888 20 30 EDEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997723948 704620252 /nfs/dbraw/zinc/62/02/52/704620252.db2.gz HAJADTGEASSTDA-FUHWJXTLSA-N 2 1 337.508 1.888 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC000998277099 705660408 /nfs/dbraw/zinc/66/04/08/705660408.db2.gz NKRHXJXQMFIQBV-UONOGXRCSA-N 2 1 345.409 1.863 20 30 EDEDMP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998724440 706155779 /nfs/dbraw/zinc/15/57/79/706155779.db2.gz UCOCCWBMIZFZMG-STQMWFEESA-N 2 1 330.270 1.570 20 30 EDEDMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000999689246 707244741 /nfs/dbraw/zinc/24/47/41/707244741.db2.gz QDUGDGWPMZQSPQ-VNCLNFNDSA-N 2 1 340.471 1.979 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3coc(C)n3)C2)CC1 ZINC000999870904 707513334 /nfs/dbraw/zinc/51/33/34/707513334.db2.gz PNCJPESVVWLJNU-UHFFFAOYSA-N 2 1 344.459 1.407 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCOC3CCC3)C2)CC1 ZINC001033684040 708495640 /nfs/dbraw/zinc/49/56/40/708495640.db2.gz CFODDAWIMPGFBP-SFHVURJKSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC[C@H]3CCCO3)C2)CC1 ZINC001033687234 708500818 /nfs/dbraw/zinc/50/08/18/708500818.db2.gz DEOJFRWWVSBUKM-RBUKOAKNSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCOC)C3)CC1 ZINC001040541592 708752662 /nfs/dbraw/zinc/75/26/62/708752662.db2.gz CAEPYKCXLTVTHM-HXUWFJFHSA-N 2 1 347.503 1.293 20 30 EDEDMP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001002480086 709030143 /nfs/dbraw/zinc/03/01/43/709030143.db2.gz MKGWOAUVABDROT-SFHVURJKSA-N 2 1 344.434 1.872 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001002480086 709030146 /nfs/dbraw/zinc/03/01/46/709030146.db2.gz MKGWOAUVABDROT-SFHVURJKSA-N 2 1 344.434 1.872 20 30 EDEDMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001002850871 709461602 /nfs/dbraw/zinc/46/16/02/709461602.db2.gz CGSSAIZMNRKMDE-DNVCBOLYSA-N 2 1 340.471 1.979 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001003056250 709906038 /nfs/dbraw/zinc/90/60/38/709906038.db2.gz NZXZEGNCYBVLQF-KRWDZBQOSA-N 2 1 346.500 1.364 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001003056250 709906039 /nfs/dbraw/zinc/90/60/39/709906039.db2.gz NZXZEGNCYBVLQF-KRWDZBQOSA-N 2 1 346.500 1.364 20 30 EDEDMP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC001003626497 710455823 /nfs/dbraw/zinc/45/58/23/710455823.db2.gz RDHJJAZHDINDQF-GOSISDBHSA-N 2 1 339.483 1.961 20 30 EDEDMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC001003626497 710455824 /nfs/dbraw/zinc/45/58/24/710455824.db2.gz RDHJJAZHDINDQF-GOSISDBHSA-N 2 1 339.483 1.961 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001003634334 710461995 /nfs/dbraw/zinc/46/19/95/710461995.db2.gz JPEGJNUNESSIJH-BEFAXECRSA-N 2 1 340.471 1.837 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033139642 711935827 /nfs/dbraw/zinc/93/58/27/711935827.db2.gz HLJFKGDRDPWPEH-ZWKOTPCHSA-N 2 1 333.476 1.186 20 30 EDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033139642 711935828 /nfs/dbraw/zinc/93/58/28/711935828.db2.gz HLJFKGDRDPWPEH-ZWKOTPCHSA-N 2 1 333.476 1.186 20 30 EDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033139642 711935830 /nfs/dbraw/zinc/93/58/30/711935830.db2.gz HLJFKGDRDPWPEH-ZWKOTPCHSA-N 2 1 333.476 1.186 20 30 EDEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004622750 712069194 /nfs/dbraw/zinc/06/91/94/712069194.db2.gz YZOBIIQEGWPGRR-RBUKOAKNSA-N 2 1 349.519 1.986 20 30 EDEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004622750 712069196 /nfs/dbraw/zinc/06/91/96/712069196.db2.gz YZOBIIQEGWPGRR-RBUKOAKNSA-N 2 1 349.519 1.986 20 30 EDEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004622750 712069200 /nfs/dbraw/zinc/06/92/00/712069200.db2.gz YZOBIIQEGWPGRR-RBUKOAKNSA-N 2 1 349.519 1.986 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004622750 712069202 /nfs/dbraw/zinc/06/92/02/712069202.db2.gz YZOBIIQEGWPGRR-RBUKOAKNSA-N 2 1 349.519 1.986 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033161911 712260827 /nfs/dbraw/zinc/26/08/27/712260827.db2.gz OMVAJNLXCJGIOT-OALUTQOASA-N 2 1 347.503 1.433 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033161911 712260830 /nfs/dbraw/zinc/26/08/30/712260830.db2.gz OMVAJNLXCJGIOT-OALUTQOASA-N 2 1 347.503 1.433 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033161911 712260832 /nfs/dbraw/zinc/26/08/32/712260832.db2.gz OMVAJNLXCJGIOT-OALUTQOASA-N 2 1 347.503 1.433 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033161911 712260834 /nfs/dbraw/zinc/26/08/34/712260834.db2.gz OMVAJNLXCJGIOT-OALUTQOASA-N 2 1 347.503 1.433 20 30 EDEDMP C[C@@H]1C[C@H](N(C)CC#CCN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000341890753 250003683 /nfs/dbraw/zinc/00/36/83/250003683.db2.gz MSRCDMBHQPRGPZ-UAFMIMERSA-N 2 1 334.552 1.819 20 30 EDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000350225094 250058946 /nfs/dbraw/zinc/05/89/46/250058946.db2.gz USARCXCFNMLDDG-FUHWJXTLSA-N 2 1 338.496 1.474 20 30 EDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000350225094 250058948 /nfs/dbraw/zinc/05/89/48/250058948.db2.gz USARCXCFNMLDDG-FUHWJXTLSA-N 2 1 338.496 1.474 20 30 EDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000350216218 250058959 /nfs/dbraw/zinc/05/89/59/250058959.db2.gz PGRJDPTWGODINN-FUHWJXTLSA-N 2 1 336.480 1.228 20 30 EDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000350216218 250058962 /nfs/dbraw/zinc/05/89/62/250058962.db2.gz PGRJDPTWGODINN-FUHWJXTLSA-N 2 1 336.480 1.228 20 30 EDEDMP C[NH2+][C@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418628349 267351663 /nfs/dbraw/zinc/35/16/63/267351663.db2.gz OWOCABDLENEVCL-OAHLLOKOSA-N 2 1 329.448 1.383 20 30 EDEDMP CC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)Cc2ccccc2C1 ZINC000093887455 441899278 /nfs/dbraw/zinc/89/92/78/441899278.db2.gz FIRZEYHCAKVZSI-UHFFFAOYSA-N 2 1 330.476 1.418 20 30 EDEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])NCc2ccccc2OC)CC1 ZINC000170903808 442285790 /nfs/dbraw/zinc/28/57/90/442285790.db2.gz LDZYQIWKFQQKAN-UHFFFAOYSA-N 2 1 347.507 1.517 20 30 EDEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1F ZINC000264251268 443257256 /nfs/dbraw/zinc/25/72/56/443257256.db2.gz HIDWFXZQCSGCQV-UHFFFAOYSA-N 2 1 336.455 1.730 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(N2CC=CC2)c1 ZINC000267436284 443456955 /nfs/dbraw/zinc/45/69/55/443456955.db2.gz NYODNRLSQGHHJC-UHFFFAOYSA-N 2 1 343.475 1.189 20 30 EDEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Sc1ccccc1 ZINC000267456633 443463534 /nfs/dbraw/zinc/46/35/34/443463534.db2.gz TVHAGWXVCPYFMP-HNNXBMFYSA-N 2 1 336.505 1.794 20 30 EDEDMP CN(C(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000273313223 443566041 /nfs/dbraw/zinc/56/60/41/443566041.db2.gz CQRUHERGRWIVKJ-MRXNPFEDSA-N 2 1 343.475 1.293 20 30 EDEDMP C#CC(C)(C)[N@@H+](C)CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000285997971 444172390 /nfs/dbraw/zinc/17/23/90/444172390.db2.gz GDPZNFFPMYXJJH-UHFFFAOYSA-N 2 1 343.471 1.683 20 30 EDEDMP C#CC(C)(C)[N@H+](C)CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 ZINC000285997971 444172393 /nfs/dbraw/zinc/17/23/93/444172393.db2.gz GDPZNFFPMYXJJH-UHFFFAOYSA-N 2 1 343.471 1.683 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000297473514 444290651 /nfs/dbraw/zinc/29/06/51/444290651.db2.gz LUVBUGVVPGWRDP-IBGZPJMESA-N 2 1 342.487 1.857 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000297473514 444290654 /nfs/dbraw/zinc/29/06/54/444290654.db2.gz LUVBUGVVPGWRDP-IBGZPJMESA-N 2 1 342.487 1.857 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000297473514 444290655 /nfs/dbraw/zinc/29/06/55/444290655.db2.gz LUVBUGVVPGWRDP-IBGZPJMESA-N 2 1 342.487 1.857 20 30 EDEDMP Cc1noc([C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n1 ZINC000329068409 444463782 /nfs/dbraw/zinc/46/37/82/444463782.db2.gz XNHKNUCRFASWCB-CYBMUJFWSA-N 2 1 333.436 1.751 20 30 EDEDMP Cc1noc([C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n1 ZINC000329068409 444463784 /nfs/dbraw/zinc/46/37/84/444463784.db2.gz XNHKNUCRFASWCB-CYBMUJFWSA-N 2 1 333.436 1.751 20 30 EDEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000362253564 446287614 /nfs/dbraw/zinc/28/76/14/446287614.db2.gz FNJMGTFOCJQZKP-GOSISDBHSA-N 2 1 334.508 1.146 20 30 EDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000362253564 446287620 /nfs/dbraw/zinc/28/76/20/446287620.db2.gz FNJMGTFOCJQZKP-GOSISDBHSA-N 2 1 334.508 1.146 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)c(C#N)cn1 ZINC000457516216 447585507 /nfs/dbraw/zinc/58/55/07/447585507.db2.gz CXGDMWXQMHZUAR-KRWDZBQOSA-N 2 1 343.475 1.750 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000491372360 448006206 /nfs/dbraw/zinc/00/62/06/448006206.db2.gz IXMSDIQYZXDFGY-KRWDZBQOSA-N 2 1 346.475 1.552 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000491372360 448006210 /nfs/dbraw/zinc/00/62/10/448006210.db2.gz IXMSDIQYZXDFGY-KRWDZBQOSA-N 2 1 346.475 1.552 20 30 EDEDMP COCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000562985666 448277800 /nfs/dbraw/zinc/27/78/00/448277800.db2.gz KAHPIKIDAQLKIN-GOSISDBHSA-N 2 1 347.459 1.193 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000565887522 448383052 /nfs/dbraw/zinc/38/30/52/448383052.db2.gz TXAJVIZSSWTXSI-QGZVFWFLSA-N 2 1 348.443 1.453 20 30 EDEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(C#N)cnn1C ZINC000596160416 449390393 /nfs/dbraw/zinc/39/03/93/449390393.db2.gz VOILMRDYUNNXPB-UHFFFAOYSA-N 2 1 344.507 1.924 20 30 EDEDMP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](Cc2ccccc2)C1 ZINC000594452296 449528005 /nfs/dbraw/zinc/52/80/05/449528005.db2.gz HHWGWXQXKGKGSX-ROUUACIJSA-N 2 1 328.460 1.783 20 30 EDEDMP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](Cc2ccccc2)C1 ZINC000594452296 449528010 /nfs/dbraw/zinc/52/80/10/449528010.db2.gz HHWGWXQXKGKGSX-ROUUACIJSA-N 2 1 328.460 1.783 20 30 EDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC#N)CCOC)CC2)CC1 ZINC000582855684 485835851 /nfs/dbraw/zinc/83/58/51/485835851.db2.gz YTFNTXBPJWXISI-UHFFFAOYSA-N 2 1 336.480 1.181 20 30 EDEDMP C#CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000093133148 527126087 /nfs/dbraw/zinc/12/60/87/527126087.db2.gz YFKGFGDAXCMJBY-LJQANCHMSA-N 2 1 327.472 1.910 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000730284082 578639430 /nfs/dbraw/zinc/63/94/30/578639430.db2.gz ZAMMLIFKQBHPLL-KRWDZBQOSA-N 2 1 329.444 1.341 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000730284082 578639432 /nfs/dbraw/zinc/63/94/32/578639432.db2.gz ZAMMLIFKQBHPLL-KRWDZBQOSA-N 2 1 329.444 1.341 20 30 EDEDMP C#CCCOc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000733327024 578759611 /nfs/dbraw/zinc/75/96/11/578759611.db2.gz KZVAYUYVWFZMRV-UHFFFAOYSA-N 2 1 329.444 1.342 20 30 EDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cn3ccccc3c2C#N)C1 ZINC000779655343 580493572 /nfs/dbraw/zinc/49/35/72/580493572.db2.gz UJDLJEOBKKXVQM-QGZVFWFLSA-N 2 1 341.415 1.919 20 30 EDEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cn3ccccc3c2C#N)C1 ZINC000779655343 580493573 /nfs/dbraw/zinc/49/35/73/580493573.db2.gz UJDLJEOBKKXVQM-QGZVFWFLSA-N 2 1 341.415 1.919 20 30 EDEDMP N#Cc1sccc1N1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903769140 592311120 /nfs/dbraw/zinc/31/11/20/592311120.db2.gz YNMHDKWTTUHYKO-HNNXBMFYSA-N 2 1 346.500 1.900 20 30 EDEDMP N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no1)C2 ZINC000904098933 592425100 /nfs/dbraw/zinc/42/51/00/592425100.db2.gz IVZHSQUCNKVDJB-DEWJTKQSSA-N 2 1 329.404 1.212 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](c3ccccc3C)C2)CC1 ZINC000825179742 594142717 /nfs/dbraw/zinc/14/27/17/594142717.db2.gz CTSUWLVZGJSFNV-LJQANCHMSA-N 2 1 325.456 1.813 20 30 EDEDMP C#CC[C@H](CCOC)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000863781636 596684363 /nfs/dbraw/zinc/68/43/63/596684363.db2.gz PASOAWDGBYIPJV-GOSISDBHSA-N 2 1 349.519 1.727 20 30 EDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000884363172 598081416 /nfs/dbraw/zinc/08/14/16/598081416.db2.gz YCEFKVVUFJJQDS-OAHLLOKOSA-N 2 1 338.521 1.211 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000884363172 598081420 /nfs/dbraw/zinc/08/14/20/598081420.db2.gz YCEFKVVUFJJQDS-OAHLLOKOSA-N 2 1 338.521 1.211 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000917137712 696950349 /nfs/dbraw/zinc/95/03/49/696950349.db2.gz VKJSJGWFRZVMBV-HZPDHXFCSA-N 2 1 338.521 1.516 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941676650 701615469 /nfs/dbraw/zinc/61/54/69/701615469.db2.gz CPHHAKXRDYIQBT-CALCHBBNSA-N 2 1 334.508 1.264 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941676650 701615470 /nfs/dbraw/zinc/61/54/70/701615470.db2.gz CPHHAKXRDYIQBT-CALCHBBNSA-N 2 1 334.508 1.264 20 30 EDEDMP C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC001031947886 701504218 /nfs/dbraw/zinc/50/42/18/701504218.db2.gz NGBZFBOOMRKDEH-UHFFFAOYSA-N 2 1 326.444 1.448 20 30 EDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995898301 702203423 /nfs/dbraw/zinc/20/34/23/702203423.db2.gz SWPHRFLHYUIAID-HOTGVXAUSA-N 2 1 333.480 1.216 20 30 EDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996069687 702480635 /nfs/dbraw/zinc/48/06/35/702480635.db2.gz KUCXKSZQRLDUKM-BWRBCVJASA-N 2 1 333.476 1.252 20 30 EDEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC000997187958 703477642 /nfs/dbraw/zinc/47/76/42/703477642.db2.gz XZYMKJOCUGLHOF-SFHVURJKSA-N 2 1 340.471 1.981 20 30 EDEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997271224 703533709 /nfs/dbraw/zinc/53/37/09/703533709.db2.gz HAJADTGEASSTDA-AEFFLSMTSA-N 2 1 337.508 1.888 20 30 EDEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997271224 703533711 /nfs/dbraw/zinc/53/37/11/703533711.db2.gz HAJADTGEASSTDA-AEFFLSMTSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995552124 703958992 /nfs/dbraw/zinc/95/89/92/703958992.db2.gz PXMHULQKVKCGRF-CHWSQXEVSA-N 2 1 344.297 1.816 20 30 EDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597723 704293181 /nfs/dbraw/zinc/29/31/81/704293181.db2.gz HSYNSECKIMGERI-RDGPPVDQSA-N 2 1 347.503 1.596 20 30 EDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597723 704293182 /nfs/dbraw/zinc/29/31/82/704293182.db2.gz HSYNSECKIMGERI-RDGPPVDQSA-N 2 1 347.503 1.596 20 30 EDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597723 704293184 /nfs/dbraw/zinc/29/31/84/704293184.db2.gz HSYNSECKIMGERI-RDGPPVDQSA-N 2 1 347.503 1.596 20 30 EDEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001004381378 704347267 /nfs/dbraw/zinc/34/72/67/704347267.db2.gz RZDXLDWRAKJPDZ-QZTJIDSGSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001004381378 704347270 /nfs/dbraw/zinc/34/72/70/704347270.db2.gz RZDXLDWRAKJPDZ-QZTJIDSGSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004381378 704347271 /nfs/dbraw/zinc/34/72/71/704347271.db2.gz RZDXLDWRAKJPDZ-QZTJIDSGSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004381378 704347274 /nfs/dbraw/zinc/34/72/74/704347274.db2.gz RZDXLDWRAKJPDZ-QZTJIDSGSA-N 2 1 333.476 1.043 20 30 EDEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000998828217 706259077 /nfs/dbraw/zinc/25/90/77/706259077.db2.gz SJFCJXXDGVCEHM-XJKSGUPXSA-N 2 1 348.472 1.031 20 30 EDEDMP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000998828217 706259079 /nfs/dbraw/zinc/25/90/79/706259079.db2.gz SJFCJXXDGVCEHM-XJKSGUPXSA-N 2 1 348.472 1.031 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(F)cn2)C1 ZINC000998923758 706352129 /nfs/dbraw/zinc/35/21/29/706352129.db2.gz WHSIRADKWUJGQB-ABHNRTSZSA-N 2 1 344.434 1.397 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccc(F)cn2)C1 ZINC000998923758 706352132 /nfs/dbraw/zinc/35/21/32/706352132.db2.gz WHSIRADKWUJGQB-ABHNRTSZSA-N 2 1 344.434 1.397 20 30 EDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999353880 706842825 /nfs/dbraw/zinc/84/28/25/706842825.db2.gz OAQSADWQOFKMTN-SJLPKXTDSA-N 2 1 335.492 1.787 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000999393080 706887310 /nfs/dbraw/zinc/88/73/10/706887310.db2.gz VREQKMYZRZWKFI-RDJZCZTQSA-N 2 1 346.500 1.630 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnc(C)s2)C1 ZINC000999393080 706887313 /nfs/dbraw/zinc/88/73/13/706887313.db2.gz VREQKMYZRZWKFI-RDJZCZTQSA-N 2 1 346.500 1.630 20 30 EDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946734807 707296585 /nfs/dbraw/zinc/29/65/85/707296585.db2.gz DFMLPSNOZYIAGN-CADBVGFASA-N 2 1 331.504 1.910 20 30 EDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946734807 707296590 /nfs/dbraw/zinc/29/65/90/707296590.db2.gz DFMLPSNOZYIAGN-CADBVGFASA-N 2 1 331.504 1.910 20 30 EDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946734807 707296603 /nfs/dbraw/zinc/29/66/03/707296603.db2.gz DFMLPSNOZYIAGN-CADBVGFASA-N 2 1 331.504 1.910 20 30 EDEDMP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1C#N ZINC001016257268 708149721 /nfs/dbraw/zinc/14/97/21/708149721.db2.gz WCUGUEAZDVNJFF-NVXWUHKLSA-N 2 1 342.443 1.209 20 30 EDEDMP COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1C#N ZINC001016257268 708149724 /nfs/dbraw/zinc/14/97/24/708149724.db2.gz WCUGUEAZDVNJFF-NVXWUHKLSA-N 2 1 342.443 1.209 20 30 EDEDMP COc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1C#N ZINC001016257268 708149727 /nfs/dbraw/zinc/14/97/27/708149727.db2.gz WCUGUEAZDVNJFF-NVXWUHKLSA-N 2 1 342.443 1.209 20 30 EDEDMP COc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1C#N ZINC001016257268 708149730 /nfs/dbraw/zinc/14/97/30/708149730.db2.gz WCUGUEAZDVNJFF-NVXWUHKLSA-N 2 1 342.443 1.209 20 30 EDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001773237 708265986 /nfs/dbraw/zinc/26/59/86/708265986.db2.gz OMMYOKNVJJPQKH-KRWDZBQOSA-N 2 1 328.460 1.605 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@H](CC)OC)C2)CC1 ZINC001033686060 708500420 /nfs/dbraw/zinc/50/04/20/708500420.db2.gz ZGNVQTGMYDFIHT-MSOLQXFVSA-N 2 1 335.492 1.289 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C[C@@H](CC)OC)C2)CC1 ZINC001034044903 709296717 /nfs/dbraw/zinc/29/67/17/709296717.db2.gz FVYHBTFVJKEYCO-RBUKOAKNSA-N 2 1 349.519 1.679 20 30 EDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034242291 709629690 /nfs/dbraw/zinc/62/96/90/709629690.db2.gz WFYRRYCQCYTJCI-WMZOPIPTSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034242291 709629695 /nfs/dbraw/zinc/62/96/95/709629695.db2.gz WFYRRYCQCYTJCI-WMZOPIPTSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034242291 709629699 /nfs/dbraw/zinc/62/96/99/709629699.db2.gz WFYRRYCQCYTJCI-WMZOPIPTSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034242291 709629701 /nfs/dbraw/zinc/62/97/01/709629701.db2.gz WFYRRYCQCYTJCI-WMZOPIPTSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001034416420 709978420 /nfs/dbraw/zinc/97/84/20/709978420.db2.gz ZWLJNJQKMPIJBZ-AQNXPRMDSA-N 2 1 339.483 1.936 20 30 EDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034416420 709978424 /nfs/dbraw/zinc/97/84/24/709978424.db2.gz ZWLJNJQKMPIJBZ-AQNXPRMDSA-N 2 1 339.483 1.936 20 30 EDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001034416420 709978429 /nfs/dbraw/zinc/97/84/29/709978429.db2.gz ZWLJNJQKMPIJBZ-AQNXPRMDSA-N 2 1 339.483 1.936 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034663802 710333293 /nfs/dbraw/zinc/33/32/93/710333293.db2.gz KPWWQYFKUQWRLN-BQFCYCMXSA-N 2 1 343.475 1.035 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034663802 710333295 /nfs/dbraw/zinc/33/32/95/710333295.db2.gz KPWWQYFKUQWRLN-BQFCYCMXSA-N 2 1 343.475 1.035 20 30 EDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001034693819 710786318 /nfs/dbraw/zinc/78/63/18/710786318.db2.gz HUKIXRPIMCTVIO-RVKOJVRFSA-N 2 1 333.476 1.443 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001004151178 711567905 /nfs/dbraw/zinc/56/79/05/711567905.db2.gz GUWNGMGAUSTGQG-UHFFFAOYSA-N 2 1 337.427 1.844 20 30 EDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033144056 711972797 /nfs/dbraw/zinc/97/27/97/711972797.db2.gz QIWLTSGDKVITQE-QZTJIDSGSA-N 2 1 335.492 1.739 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033144056 711972799 /nfs/dbraw/zinc/97/27/99/711972799.db2.gz QIWLTSGDKVITQE-QZTJIDSGSA-N 2 1 335.492 1.739 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033144056 711972800 /nfs/dbraw/zinc/97/28/00/711972800.db2.gz QIWLTSGDKVITQE-QZTJIDSGSA-N 2 1 335.492 1.739 20 30 EDEDMP Cc1cc(N2CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC2)nc(C)[nH+]1 ZINC000424155379 252146637 /nfs/dbraw/zinc/14/66/37/252146637.db2.gz NQIDKROPFUCNDH-OAHLLOKOSA-N 2 1 330.436 1.200 20 30 EDEDMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)c(F)c1 ZINC000346216390 143179895 /nfs/dbraw/zinc/17/98/95/143179895.db2.gz SURJWNIUHTYDAT-CJNGLKHVSA-N 2 1 332.423 1.935 20 30 EDEDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)c(F)c1 ZINC000346216390 143179896 /nfs/dbraw/zinc/17/98/96/143179896.db2.gz SURJWNIUHTYDAT-CJNGLKHVSA-N 2 1 332.423 1.935 20 30 EDEDMP CSc1cc(C)ccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000134069804 442448886 /nfs/dbraw/zinc/44/88/86/442448886.db2.gz ISNUXQSOKYVGPI-UHFFFAOYSA-N 2 1 336.505 1.844 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000191521417 442458589 /nfs/dbraw/zinc/45/85/89/442458589.db2.gz XQHMIPBCAVHQLT-AWEZNQCLSA-N 2 1 335.452 1.558 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000191521417 442458594 /nfs/dbraw/zinc/45/85/94/442458594.db2.gz XQHMIPBCAVHQLT-AWEZNQCLSA-N 2 1 335.452 1.558 20 30 EDEDMP CC(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Nc1ccccc1 ZINC000264113934 443249439 /nfs/dbraw/zinc/24/94/39/443249439.db2.gz PLFKXMZCXFIQCL-GOSISDBHSA-N 2 1 347.507 1.750 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCOC2=O)cc1 ZINC000272855690 443468775 /nfs/dbraw/zinc/46/87/75/443468775.db2.gz RCPFOFYRLDJSLH-MRXNPFEDSA-N 2 1 345.447 1.532 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000284885333 443792389 /nfs/dbraw/zinc/79/23/89/443792389.db2.gz NOLAQAGVEOKBRK-UYAOXDASSA-N 2 1 339.483 1.922 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000284885333 443792393 /nfs/dbraw/zinc/79/23/93/443792393.db2.gz NOLAQAGVEOKBRK-UYAOXDASSA-N 2 1 339.483 1.922 20 30 EDEDMP C[N@H+](C[C@@H](O)C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)C1CC1 ZINC000562990978 321085847 /nfs/dbraw/zinc/08/58/47/321085847.db2.gz KALDTLYLRDFSGT-NXYGQSRBSA-N 2 1 344.459 1.688 20 30 EDEDMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)C1CC1 ZINC000562990978 321085849 /nfs/dbraw/zinc/08/58/49/321085849.db2.gz KALDTLYLRDFSGT-NXYGQSRBSA-N 2 1 344.459 1.688 20 30 EDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000303896499 444237905 /nfs/dbraw/zinc/23/79/05/444237905.db2.gz QAYKLBLVYDQESR-CQSZACIVSA-N 2 1 339.484 1.386 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000297531496 444297265 /nfs/dbraw/zinc/29/72/65/444297265.db2.gz AMTWFRBDGYRSHG-FUHWJXTLSA-N 2 1 330.476 1.932 20 30 EDEDMP Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[NH+](C4CC4)C3)CC2)cn1 ZINC000329320445 444533806 /nfs/dbraw/zinc/53/38/06/444533806.db2.gz GHINPJCRJPMHEJ-INIZCTEOSA-N 2 1 346.479 1.079 20 30 EDEDMP Cn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[NH+](C4CC4)C3)CC2)cn1 ZINC000329320445 444533810 /nfs/dbraw/zinc/53/38/10/444533810.db2.gz GHINPJCRJPMHEJ-INIZCTEOSA-N 2 1 346.479 1.079 20 30 EDEDMP Cn1cc(C[NH+]2CCCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)cn1 ZINC000329320445 444533819 /nfs/dbraw/zinc/53/38/19/444533819.db2.gz GHINPJCRJPMHEJ-INIZCTEOSA-N 2 1 346.479 1.079 20 30 EDEDMP Cn1cc(C[NH+]2CCCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)cn1 ZINC000329320445 444533825 /nfs/dbraw/zinc/53/38/25/444533825.db2.gz GHINPJCRJPMHEJ-INIZCTEOSA-N 2 1 346.479 1.079 20 30 EDEDMP O=C(C[N@H+]1CCSC[C@H]1CCO)NC1CC[NH+](C2CC2)CC1 ZINC000329880769 444751268 /nfs/dbraw/zinc/75/12/68/444751268.db2.gz ACIYGEFKTJEKFO-OAHLLOKOSA-N 2 1 327.494 1.370 20 30 EDEDMP O=C(C[N@@H+]1CCSC[C@H]1CCO)NC1CC[NH+](C2CC2)CC1 ZINC000329880769 444751274 /nfs/dbraw/zinc/75/12/74/444751274.db2.gz ACIYGEFKTJEKFO-OAHLLOKOSA-N 2 1 327.494 1.370 20 30 EDEDMP N#Cc1cccc(CNC(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000363180992 445709606 /nfs/dbraw/zinc/70/96/06/445709606.db2.gz PFCJEQRWSQAXJS-QRVBRYPASA-N 2 1 338.455 1.591 20 30 EDEDMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1C ZINC000354203838 445997253 /nfs/dbraw/zinc/99/72/53/445997253.db2.gz CKTMRWDYHPBJTI-MAUKXSAKSA-N 2 1 328.460 1.979 20 30 EDEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583265948 326038595 /nfs/dbraw/zinc/03/85/95/326038595.db2.gz ADMGGYHTTDGPSB-UHFFFAOYSA-N 2 1 345.447 1.924 20 30 EDEDMP CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583265948 326038598 /nfs/dbraw/zinc/03/85/98/326038598.db2.gz ADMGGYHTTDGPSB-UHFFFAOYSA-N 2 1 345.447 1.924 20 30 EDEDMP O[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](O)CC23CCC3)C2(CCC2)C1 ZINC000420993763 446971770 /nfs/dbraw/zinc/97/17/70/446971770.db2.gz MKQSIZVMVDRNPX-QZTJIDSGSA-N 2 1 332.488 1.749 20 30 EDEDMP CC[NH+]1C[C@@H](C)N(CC#CCN2[C@H](C)C[N@@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000459469676 447676736 /nfs/dbraw/zinc/67/67/36/447676736.db2.gz USYPCZJRXCQOED-FGYAAKKASA-N 2 1 334.552 1.819 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000491743901 448098150 /nfs/dbraw/zinc/09/81/50/448098150.db2.gz LIOOFMOGBHEKDR-UHFFFAOYSA-N 2 1 338.496 1.084 20 30 EDEDMP C=CC[C@@H](CO)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000565726254 448377702 /nfs/dbraw/zinc/37/77/02/448377702.db2.gz XNMDMJPLZWUHGR-MRXNPFEDSA-N 2 1 337.508 1.484 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000592524187 448876987 /nfs/dbraw/zinc/87/69/87/448876987.db2.gz WTFXPDRBSCWZBU-KRWDZBQOSA-N 2 1 336.480 1.143 20 30 EDEDMP CN(C)c1nc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000593515649 449320352 /nfs/dbraw/zinc/32/03/52/449320352.db2.gz PIQJHFJQIZPGCC-UHFFFAOYSA-N 2 1 336.443 2.491 20 30 EDEDMP Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1C#N ZINC000600710287 449509186 /nfs/dbraw/zinc/50/91/86/449509186.db2.gz RBZLWZPNBIFWOK-IEBWSBKVSA-N 2 1 340.471 1.947 20 30 EDEDMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594437026 449516709 /nfs/dbraw/zinc/51/67/09/449516709.db2.gz SHXVGJYNNMGKBP-SJORKVTESA-N 2 1 335.496 1.026 20 30 EDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000594441573 449519899 /nfs/dbraw/zinc/51/98/99/449519899.db2.gz SUYFVQPXPGKRGF-GOSISDBHSA-N 2 1 328.460 1.962 20 30 EDEDMP Cc1cc(N2CCC([NH2+]C[C@H](O)CC3(C#N)CC3)CC2)nc(C)[nH+]1 ZINC000600731682 449521905 /nfs/dbraw/zinc/52/19/05/449521905.db2.gz YFGJUNFJLGANGZ-MRXNPFEDSA-N 2 1 329.448 1.707 20 30 EDEDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2C#N)CCCO1 ZINC000600735420 449524598 /nfs/dbraw/zinc/52/45/98/449524598.db2.gz SYQHSMNNONNGQV-FUHWJXTLSA-N 2 1 347.459 1.388 20 30 EDEDMP N#Cc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c(F)c1 ZINC000600968106 449622144 /nfs/dbraw/zinc/62/21/44/449622144.db2.gz NAUAWHKQECOSRJ-UHFFFAOYSA-N 2 1 328.395 1.303 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000602579738 449685861 /nfs/dbraw/zinc/68/58/61/449685861.db2.gz BJUQIQFPVGSHJC-NJAFHUGGSA-N 2 1 328.460 1.892 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638099446 451265905 /nfs/dbraw/zinc/26/59/05/451265905.db2.gz INJWUJLBVYUOTC-GOSISDBHSA-N 2 1 330.476 1.212 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000732066215 578689057 /nfs/dbraw/zinc/68/90/57/578689057.db2.gz KUVGRCPXFJGJJZ-FHWLQOOXSA-N 2 1 346.519 1.101 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000732066215 578689058 /nfs/dbraw/zinc/68/90/58/578689058.db2.gz KUVGRCPXFJGJJZ-FHWLQOOXSA-N 2 1 346.519 1.101 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000764442547 580120020 /nfs/dbraw/zinc/12/00/20/580120020.db2.gz KTQVTANGQXTVBN-INIZCTEOSA-N 2 1 331.460 1.641 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000764442547 580120021 /nfs/dbraw/zinc/12/00/21/580120021.db2.gz KTQVTANGQXTVBN-INIZCTEOSA-N 2 1 331.460 1.641 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000764629843 580125043 /nfs/dbraw/zinc/12/50/43/580125043.db2.gz DOYQPLWEPYOSJT-ZWKOTPCHSA-N 2 1 331.460 1.103 20 30 EDEDMP C[NH+](C)CCOc1ccc(C=NNCCC[NH+]2CCOCC2)cc1 ZINC000799488948 581029364 /nfs/dbraw/zinc/02/93/64/581029364.db2.gz XRHXEZNCZAHZBT-UHFFFAOYSA-N 2 1 334.464 1.273 20 30 EDEDMP C[C@H](NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(C#N)ccn1 ZINC000902787094 592063822 /nfs/dbraw/zinc/06/38/22/592063822.db2.gz XFUMSLOZJVFRLA-WMLDXEAASA-N 2 1 329.448 1.547 20 30 EDEDMP C[C@H](NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(C#N)ccn1 ZINC000902787094 592063824 /nfs/dbraw/zinc/06/38/24/592063824.db2.gz XFUMSLOZJVFRLA-WMLDXEAASA-N 2 1 329.448 1.547 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000840379373 593750588 /nfs/dbraw/zinc/75/05/88/593750588.db2.gz JZQDLGFJXACPQR-SFHVURJKSA-N 2 1 342.487 1.857 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000840379373 593750589 /nfs/dbraw/zinc/75/05/89/593750589.db2.gz JZQDLGFJXACPQR-SFHVURJKSA-N 2 1 342.487 1.857 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000840379373 593750590 /nfs/dbraw/zinc/75/05/90/593750590.db2.gz JZQDLGFJXACPQR-SFHVURJKSA-N 2 1 342.487 1.857 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000840379373 593750591 /nfs/dbraw/zinc/75/05/91/593750591.db2.gz JZQDLGFJXACPQR-SFHVURJKSA-N 2 1 342.487 1.857 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000836304097 594949310 /nfs/dbraw/zinc/94/93/10/594949310.db2.gz LNDUOVGTSNVFSL-LJQANCHMSA-N 2 1 342.487 1.905 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000836304097 594949311 /nfs/dbraw/zinc/94/93/11/594949311.db2.gz LNDUOVGTSNVFSL-LJQANCHMSA-N 2 1 342.487 1.905 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000836304097 594949313 /nfs/dbraw/zinc/94/93/13/594949313.db2.gz LNDUOVGTSNVFSL-LJQANCHMSA-N 2 1 342.487 1.905 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000847416196 595414393 /nfs/dbraw/zinc/41/43/93/595414393.db2.gz HWUUXJNLTHZLOF-LJQANCHMSA-N 2 1 325.456 1.676 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000847416196 595414395 /nfs/dbraw/zinc/41/43/95/595414395.db2.gz HWUUXJNLTHZLOF-LJQANCHMSA-N 2 1 325.456 1.676 20 30 EDEDMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852868897 595588508 /nfs/dbraw/zinc/58/85/08/595588508.db2.gz XLJGUWQDWIJKNO-HXUWFJFHSA-N 2 1 339.483 1.970 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214697 596006805 /nfs/dbraw/zinc/00/68/05/596006805.db2.gz REUACFGMMOZGNO-CQSZACIVSA-N 2 1 332.448 1.580 20 30 EDEDMP C=CCNC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856594642 596026693 /nfs/dbraw/zinc/02/66/93/596026693.db2.gz WXQVGBHVMUJLIX-KRWDZBQOSA-N 2 1 332.448 1.289 20 30 EDEDMP C=CCNC(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856594642 596026694 /nfs/dbraw/zinc/02/66/94/596026694.db2.gz WXQVGBHVMUJLIX-KRWDZBQOSA-N 2 1 332.448 1.289 20 30 EDEDMP C=CCNC(=O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856594642 596026697 /nfs/dbraw/zinc/02/66/97/596026697.db2.gz WXQVGBHVMUJLIX-KRWDZBQOSA-N 2 1 332.448 1.289 20 30 EDEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856594642 596026699 /nfs/dbraw/zinc/02/66/99/596026699.db2.gz WXQVGBHVMUJLIX-KRWDZBQOSA-N 2 1 332.448 1.289 20 30 EDEDMP C[NH+]1CCN(c2ncccc2CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000126035227 597241928 /nfs/dbraw/zinc/24/19/28/597241928.db2.gz MKQKZJYOHXQWSD-UHFFFAOYSA-N 2 1 330.480 1.524 20 30 EDEDMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876723718 597306845 /nfs/dbraw/zinc/30/68/45/597306845.db2.gz GEMSYQKHPHOOGG-KDOFPFPSSA-N 2 1 326.444 1.736 20 30 EDEDMP C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000878001747 597568953 /nfs/dbraw/zinc/56/89/53/597568953.db2.gz AQEYLFILZJJRFL-UHFFFAOYSA-N 2 1 326.444 1.733 20 30 EDEDMP C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000878001747 597568954 /nfs/dbraw/zinc/56/89/54/597568954.db2.gz AQEYLFILZJJRFL-UHFFFAOYSA-N 2 1 326.444 1.733 20 30 EDEDMP N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC001031675591 697483307 /nfs/dbraw/zinc/48/33/07/697483307.db2.gz NPANMFSFIAJBHO-KRWDZBQOSA-N 2 1 344.484 1.510 20 30 EDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001031776804 699169565 /nfs/dbraw/zinc/16/95/65/699169565.db2.gz OLXFKOBVPYQMSM-GOSISDBHSA-N 2 1 326.444 1.591 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)C1 ZINC000941590284 701591789 /nfs/dbraw/zinc/59/17/89/701591789.db2.gz JKOZYJNYPDPJRG-UHFFFAOYSA-N 2 1 345.491 1.411 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901835 700976501 /nfs/dbraw/zinc/97/65/01/700976501.db2.gz QXZIHSNPFLCLRM-ASPXRTSYSA-N 2 1 345.487 1.090 20 30 EDEDMP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)Cn1ccnc1 ZINC000945806323 701196187 /nfs/dbraw/zinc/19/61/87/701196187.db2.gz CORARGJWUYJLJW-MAUKXSAKSA-N 2 1 337.427 1.782 20 30 EDEDMP C[C@H]1CN(Cc2ccccc2C#N)CC[C@H]1NC(=O)Cn1ccnc1 ZINC000945806323 701196189 /nfs/dbraw/zinc/19/61/89/701196189.db2.gz CORARGJWUYJLJW-MAUKXSAKSA-N 2 1 337.427 1.782 20 30 EDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001033095027 704175343 /nfs/dbraw/zinc/17/53/43/704175343.db2.gz OCEUWQXKAZHQIH-PBHICJAKSA-N 2 1 331.464 1.899 20 30 EDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001033095027 704175345 /nfs/dbraw/zinc/17/53/45/704175345.db2.gz OCEUWQXKAZHQIH-PBHICJAKSA-N 2 1 331.464 1.899 20 30 EDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095027 704175347 /nfs/dbraw/zinc/17/53/47/704175347.db2.gz OCEUWQXKAZHQIH-PBHICJAKSA-N 2 1 331.464 1.899 20 30 EDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033095027 704175348 /nfs/dbraw/zinc/17/53/48/704175348.db2.gz OCEUWQXKAZHQIH-PBHICJAKSA-N 2 1 331.464 1.899 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001033095027 704175351 /nfs/dbraw/zinc/17/53/51/704175351.db2.gz OCEUWQXKAZHQIH-PBHICJAKSA-N 2 1 331.464 1.899 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033095027 704175352 /nfs/dbraw/zinc/17/53/52/704175352.db2.gz OCEUWQXKAZHQIH-PBHICJAKSA-N 2 1 331.464 1.899 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942783 704795116 /nfs/dbraw/zinc/79/51/16/704795116.db2.gz DAQAUNVYBKKZMN-VQIMIIECSA-N 2 1 340.471 1.981 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000998067924 705281253 /nfs/dbraw/zinc/28/12/53/705281253.db2.gz WWFAZWWUZRVEGF-NNVNDSJASA-N 2 1 347.503 1.739 20 30 EDEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000998067924 705281256 /nfs/dbraw/zinc/28/12/56/705281256.db2.gz WWFAZWWUZRVEGF-NNVNDSJASA-N 2 1 347.503 1.739 20 30 EDEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000998067924 705281259 /nfs/dbraw/zinc/28/12/59/705281259.db2.gz WWFAZWWUZRVEGF-NNVNDSJASA-N 2 1 347.503 1.739 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999764462 707318668 /nfs/dbraw/zinc/31/86/68/707318668.db2.gz KMNLTMDLNHEYHO-GWUWNPHMSA-N 2 1 339.867 1.183 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnoc3C)C2)CC1 ZINC001033686188 708500524 /nfs/dbraw/zinc/50/05/24/708500524.db2.gz BHTULSHOAHALCZ-GOSISDBHSA-N 2 1 344.459 1.361 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnoc3C)C2)CC1 ZINC001033686188 708500527 /nfs/dbraw/zinc/50/05/27/708500527.db2.gz BHTULSHOAHALCZ-GOSISDBHSA-N 2 1 344.459 1.361 20 30 EDEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033905905 709033804 /nfs/dbraw/zinc/03/38/04/709033804.db2.gz MTYKWCGZGURTCF-DHADLLTHSA-N 2 1 333.476 1.349 20 30 EDEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033905905 709033807 /nfs/dbraw/zinc/03/38/07/709033807.db2.gz MTYKWCGZGURTCF-DHADLLTHSA-N 2 1 333.476 1.349 20 30 EDEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033905905 709033812 /nfs/dbraw/zinc/03/38/12/709033812.db2.gz MTYKWCGZGURTCF-DHADLLTHSA-N 2 1 333.476 1.349 20 30 EDEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001034043097 709294202 /nfs/dbraw/zinc/29/42/02/709294202.db2.gz SROBPRDJOPDQOI-GJZGRUSLSA-N 2 1 346.500 1.994 20 30 EDEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001034043097 709294204 /nfs/dbraw/zinc/29/42/04/709294204.db2.gz SROBPRDJOPDQOI-GJZGRUSLSA-N 2 1 346.500 1.994 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001034043097 709294205 /nfs/dbraw/zinc/29/42/05/709294205.db2.gz SROBPRDJOPDQOI-GJZGRUSLSA-N 2 1 346.500 1.994 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001034043097 709294206 /nfs/dbraw/zinc/29/42/06/709294206.db2.gz SROBPRDJOPDQOI-GJZGRUSLSA-N 2 1 346.500 1.994 20 30 EDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001003010369 709780807 /nfs/dbraw/zinc/78/08/07/709780807.db2.gz FVPUXVHNIBXENN-SFHVURJKSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@@H](CC)OC)C2)CC1 ZINC001034538556 710211554 /nfs/dbraw/zinc/21/15/54/710211554.db2.gz PIVUHGHCEJRDKW-RTBURBONSA-N 2 1 349.519 1.727 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ncc(C#N)cc1C ZINC000559397681 306254781 /nfs/dbraw/zinc/25/47/81/306254781.db2.gz VHQNLKDGKBRSEB-KRWDZBQOSA-N 2 1 343.475 1.750 20 30 EDEDMP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000424126452 252131659 /nfs/dbraw/zinc/13/16/59/252131659.db2.gz BTMVLVIJBITOOV-CVEARBPZSA-N 2 1 343.431 1.096 20 30 EDEDMP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000424126452 252131665 /nfs/dbraw/zinc/13/16/65/252131665.db2.gz BTMVLVIJBITOOV-CVEARBPZSA-N 2 1 343.431 1.096 20 30 EDEDMP CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000424132923 252135423 /nfs/dbraw/zinc/13/54/23/252135423.db2.gz LHERRYCZBKMTEZ-ROUUACIJSA-N 2 1 328.460 1.961 20 30 EDEDMP C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000360694593 152156712 /nfs/dbraw/zinc/15/67/12/152156712.db2.gz YNEXCEXVFFYNNO-NSISKUIASA-N 2 1 342.487 1.549 20 30 EDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000360694593 152156714 /nfs/dbraw/zinc/15/67/14/152156714.db2.gz YNEXCEXVFFYNNO-NSISKUIASA-N 2 1 342.487 1.549 20 30 EDEDMP C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372329090 156336607 /nfs/dbraw/zinc/33/66/07/156336607.db2.gz AQMRKNCKJVUECD-PXNSSMCTSA-N 2 1 342.487 1.895 20 30 EDEDMP C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372329090 156336612 /nfs/dbraw/zinc/33/66/12/156336612.db2.gz AQMRKNCKJVUECD-PXNSSMCTSA-N 2 1 342.487 1.895 20 30 EDEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083052260 441348378 /nfs/dbraw/zinc/34/83/78/441348378.db2.gz PGAFNMDRKKELQJ-GDBMZVCRSA-N 2 1 332.448 1.525 20 30 EDEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1OC ZINC000090064893 441618744 /nfs/dbraw/zinc/61/87/44/441618744.db2.gz QMSNAIWZQOEDKV-HUUCEWRRSA-N 2 1 348.447 1.684 20 30 EDEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1OC ZINC000090064893 441618748 /nfs/dbraw/zinc/61/87/48/441618748.db2.gz QMSNAIWZQOEDKV-HUUCEWRRSA-N 2 1 348.447 1.684 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000264272343 443257307 /nfs/dbraw/zinc/25/73/07/443257307.db2.gz ACALAKFQWZNRDC-SJORKVTESA-N 2 1 337.508 1.600 20 30 EDEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000264291193 443257887 /nfs/dbraw/zinc/25/78/87/443257887.db2.gz PXGDDEZVQBVQMZ-AWEZNQCLSA-N 2 1 336.480 1.881 20 30 EDEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000267408537 443447385 /nfs/dbraw/zinc/44/73/85/443447385.db2.gz HRIBCYAAOMVZMF-CQSZACIVSA-N 2 1 343.397 1.356 20 30 EDEDMP C[N@@H+](C[C@@H](O)CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000290033032 444233446 /nfs/dbraw/zinc/23/34/46/444233446.db2.gz QJKYXLQCUGJAEH-HXUWFJFHSA-N 2 1 342.487 1.521 20 30 EDEDMP C[NH+](C[C@@H](O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000290033032 444233447 /nfs/dbraw/zinc/23/34/47/444233447.db2.gz QJKYXLQCUGJAEH-HXUWFJFHSA-N 2 1 342.487 1.521 20 30 EDEDMP C[NH+](C[C@@H](O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000290033032 444233449 /nfs/dbraw/zinc/23/34/49/444233449.db2.gz QJKYXLQCUGJAEH-HXUWFJFHSA-N 2 1 342.487 1.521 20 30 EDEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C1 ZINC000329471269 444593196 /nfs/dbraw/zinc/59/31/96/444593196.db2.gz ZJMXTKMJFFNWLS-ZSNVMCELSA-N 2 1 338.496 1.303 20 30 EDEDMP C[NH+]1CCN(CCC(C)(C)NC(=O)[C@@H]2CCn3cncc3C2)CC1 ZINC000329994722 444803621 /nfs/dbraw/zinc/80/36/21/444803621.db2.gz MMVUOMAHFIZFQN-OAHLLOKOSA-N 2 1 333.480 1.818 20 30 EDEDMP CCOCCC[N@H+]1CC[C@@H](NCC(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000347198419 445233687 /nfs/dbraw/zinc/23/36/87/445233687.db2.gz LUMDLLONVHJRNP-JKSUJKDBSA-N 2 1 336.480 1.275 20 30 EDEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000347198419 445233689 /nfs/dbraw/zinc/23/36/89/445233689.db2.gz LUMDLLONVHJRNP-JKSUJKDBSA-N 2 1 336.480 1.275 20 30 EDEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000347198419 445233691 /nfs/dbraw/zinc/23/36/91/445233691.db2.gz LUMDLLONVHJRNP-JKSUJKDBSA-N 2 1 336.480 1.275 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000361019606 445745361 /nfs/dbraw/zinc/74/53/61/445745361.db2.gz VGNNRGDSWOTRJE-KRWDZBQOSA-N 2 1 349.523 1.105 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000361019606 445745364 /nfs/dbraw/zinc/74/53/64/445745364.db2.gz VGNNRGDSWOTRJE-KRWDZBQOSA-N 2 1 349.523 1.105 20 30 EDEDMP Cc1ccnc(NC[C@H]2CC[N@H+](CCC(=O)N(C)CCC#N)C2)c1 ZINC000367485298 446554227 /nfs/dbraw/zinc/55/42/27/446554227.db2.gz KUNXEJSDESWLJD-MRXNPFEDSA-N 2 1 329.448 1.886 20 30 EDEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCC(=O)N(C)CCC#N)C2)c1 ZINC000367485298 446554232 /nfs/dbraw/zinc/55/42/32/446554232.db2.gz KUNXEJSDESWLJD-MRXNPFEDSA-N 2 1 329.448 1.886 20 30 EDEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCC(=O)N(C)CCC#N)C2)c1 ZINC000367485298 446554236 /nfs/dbraw/zinc/55/42/36/446554236.db2.gz KUNXEJSDESWLJD-MRXNPFEDSA-N 2 1 329.448 1.886 20 30 EDEDMP CN(Cc1cccc(C#N)c1)CN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000497206006 447958281 /nfs/dbraw/zinc/95/82/81/447958281.db2.gz AFITWENAIHREEC-IBGZPJMESA-N 2 1 340.427 1.864 20 30 EDEDMP C#CCNC(=O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000491209910 447958637 /nfs/dbraw/zinc/95/86/37/447958637.db2.gz NNOLXAMRMYJXGM-FQEVSTJZSA-N 2 1 325.456 1.724 20 30 EDEDMP C#CCNC(=O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000491209910 447958641 /nfs/dbraw/zinc/95/86/41/447958641.db2.gz NNOLXAMRMYJXGM-FQEVSTJZSA-N 2 1 325.456 1.724 20 30 EDEDMP C#CCNC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000491209910 447958647 /nfs/dbraw/zinc/95/86/47/447958647.db2.gz NNOLXAMRMYJXGM-FQEVSTJZSA-N 2 1 325.456 1.724 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593882328 449260489 /nfs/dbraw/zinc/26/04/89/449260489.db2.gz HUWDZHSWCZNVNP-GOSISDBHSA-N 2 1 326.444 1.733 20 30 EDEDMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000600736382 449526080 /nfs/dbraw/zinc/52/60/80/449526080.db2.gz YFAYFKPOGAJTMT-RBUKOAKNSA-N 2 1 343.471 1.922 20 30 EDEDMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000600736382 449526087 /nfs/dbraw/zinc/52/60/87/449526087.db2.gz YFAYFKPOGAJTMT-RBUKOAKNSA-N 2 1 343.471 1.922 20 30 EDEDMP C=CC[C@]1(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662729410 453456151 /nfs/dbraw/zinc/45/61/51/453456151.db2.gz QGWUBARHFFLFEU-GOSISDBHSA-N 2 1 330.432 1.824 20 30 EDEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000584524786 485869918 /nfs/dbraw/zinc/86/99/18/485869918.db2.gz JEEBMDWXEOPMPC-MAUKXSAKSA-N 2 1 342.443 1.923 20 30 EDEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)cn1 ZINC000731151119 578668609 /nfs/dbraw/zinc/66/86/09/578668609.db2.gz KSQXRPOPSUZKLX-OAHLLOKOSA-N 2 1 348.414 1.475 20 30 EDEDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000905500306 592545661 /nfs/dbraw/zinc/54/56/61/592545661.db2.gz ABHYFRVTOIQUAE-UEDWAMCQSA-N 2 1 343.471 1.661 20 30 EDEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C2)[C@H]1C(C)C ZINC000905502482 592546348 /nfs/dbraw/zinc/54/63/48/592546348.db2.gz KBQBBEWLDRRZPI-VDCDIQELSA-N 2 1 337.508 1.747 20 30 EDEDMP CC(C)(C)NC(NCCC[NH+]1CCOCC1)=[NH+]CC1CCOCC1 ZINC000912498574 593100742 /nfs/dbraw/zinc/10/07/42/593100742.db2.gz BKPMNLHINMKWOF-UHFFFAOYSA-N 2 1 340.512 1.469 20 30 EDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819282863 593748355 /nfs/dbraw/zinc/74/83/55/593748355.db2.gz CJJZTFWHXUQICV-UXHICEINSA-N 2 1 344.503 1.695 20 30 EDEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867973568 596640270 /nfs/dbraw/zinc/64/02/70/596640270.db2.gz CZMMRWKLWMXVAL-BHIYHBOVSA-N 2 1 338.455 1.688 20 30 EDEDMP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876750620 597320960 /nfs/dbraw/zinc/32/09/60/597320960.db2.gz IZZPDJLUQMZWFE-WMZOPIPTSA-N 2 1 326.444 1.736 20 30 EDEDMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876750620 597320963 /nfs/dbraw/zinc/32/09/63/597320963.db2.gz IZZPDJLUQMZWFE-WMZOPIPTSA-N 2 1 326.444 1.736 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591148 597648517 /nfs/dbraw/zinc/64/85/17/597648517.db2.gz KIKKOTJXVLZCEX-QGZVFWFLSA-N 2 1 334.508 1.287 20 30 EDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000940882774 700962620 /nfs/dbraw/zinc/96/26/20/700962620.db2.gz YDCMUQLVHMIMOF-QGZVFWFLSA-N 2 1 337.427 1.731 20 30 EDEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941404389 701518984 /nfs/dbraw/zinc/51/89/84/701518984.db2.gz DBTMHUVEWSRXCT-LJQANCHMSA-N 2 1 348.535 1.654 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)NCC2CN(CC#Cc3cccc(Cl)c3)C2)C1 ZINC001032183106 702154978 /nfs/dbraw/zinc/15/49/78/702154978.db2.gz ZZZSIDRSTREUSC-KRWDZBQOSA-N 2 1 345.874 1.691 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000995900425 702206157 /nfs/dbraw/zinc/20/61/57/702206157.db2.gz XZMNVZLNMFMHRU-SJORKVTESA-N 2 1 333.476 1.090 20 30 EDEDMP C=C(Br)CN[C@@H]1CN(C(=O)Cc2ncc[nH]2)CC1(C)C ZINC000996454741 702799475 /nfs/dbraw/zinc/79/94/75/702799475.db2.gz ARIJLJUDGOLDCK-LLVKDONJSA-N 2 1 341.253 1.687 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942837063 703350168 /nfs/dbraw/zinc/35/01/68/703350168.db2.gz GDDUMAKNPMEPOL-NVXWUHKLSA-N 2 1 344.459 1.734 20 30 EDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942837063 703350170 /nfs/dbraw/zinc/35/01/70/703350170.db2.gz GDDUMAKNPMEPOL-NVXWUHKLSA-N 2 1 344.459 1.734 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC[C@@H]1CCOC1 ZINC001032453494 703630935 /nfs/dbraw/zinc/63/09/35/703630935.db2.gz BLZPBVFZSFGUMH-XWSJACJDSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC[C@@H]1CCOC1 ZINC001032453494 703630936 /nfs/dbraw/zinc/63/09/36/703630936.db2.gz BLZPBVFZSFGUMH-XWSJACJDSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@@H]1CCOC1 ZINC001032453494 703630937 /nfs/dbraw/zinc/63/09/37/703630937.db2.gz BLZPBVFZSFGUMH-XWSJACJDSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@@H]1CCOC1 ZINC001032453494 703630938 /nfs/dbraw/zinc/63/09/38/703630938.db2.gz BLZPBVFZSFGUMH-XWSJACJDSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C(F)(F)F ZINC000998298614 705702459 /nfs/dbraw/zinc/70/24/59/705702459.db2.gz YNSVJHQOQOGTPX-KGLIPLIRSA-N 2 1 345.409 1.721 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C(F)(F)F ZINC000998298614 705702460 /nfs/dbraw/zinc/70/24/60/705702460.db2.gz YNSVJHQOQOGTPX-KGLIPLIRSA-N 2 1 345.409 1.721 20 30 EDEDMP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998587579 706026761 /nfs/dbraw/zinc/02/67/61/706026761.db2.gz WGBILNVVINARFP-ZUEPYMLJSA-N 2 1 348.472 1.029 20 30 EDEDMP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998587579 706026763 /nfs/dbraw/zinc/02/67/63/706026763.db2.gz WGBILNVVINARFP-ZUEPYMLJSA-N 2 1 348.472 1.029 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2scnc2C)C1 ZINC000999390689 706903672 /nfs/dbraw/zinc/90/36/72/706903672.db2.gz GVOGKDWHXQYJFO-HOTGVXAUSA-N 2 1 346.500 1.630 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2scnc2C)C1 ZINC000999390689 706903674 /nfs/dbraw/zinc/90/36/74/706903674.db2.gz GVOGKDWHXQYJFO-HOTGVXAUSA-N 2 1 346.500 1.630 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000999715381 707253404 /nfs/dbraw/zinc/25/34/04/707253404.db2.gz TUKIWDQJKYKKNM-SFHVURJKSA-N 2 1 337.427 1.844 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001033683160 708494782 /nfs/dbraw/zinc/49/47/82/708494782.db2.gz FXFRQCAMWXOPLN-LJQANCHMSA-N 2 1 347.503 1.291 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033838097 708868107 /nfs/dbraw/zinc/86/81/07/708868107.db2.gz OYVUJCXBAYCLDU-KRWDZBQOSA-N 2 1 347.507 1.947 20 30 EDEDMP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001002482538 709016377 /nfs/dbraw/zinc/01/63/77/709016377.db2.gz YBMKEWGQYGAGPD-IBGZPJMESA-N 2 1 325.456 1.713 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001002482538 709016381 /nfs/dbraw/zinc/01/63/81/709016381.db2.gz YBMKEWGQYGAGPD-IBGZPJMESA-N 2 1 325.456 1.713 20 30 EDEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034210508 709560961 /nfs/dbraw/zinc/56/09/61/709560961.db2.gz PIEJKSBZCKBMCD-QRVBRYPASA-N 2 1 349.519 1.890 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034663824 710333300 /nfs/dbraw/zinc/33/33/00/710333300.db2.gz LHMUKJDPXCJGKH-BQFCYCMXSA-N 2 1 343.475 1.035 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034663824 710333301 /nfs/dbraw/zinc/33/33/01/710333301.db2.gz LHMUKJDPXCJGKH-BQFCYCMXSA-N 2 1 343.475 1.035 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001034881035 711280609 /nfs/dbraw/zinc/28/06/09/711280609.db2.gz CRQIXROYTJPVEP-MSOLQXFVSA-N 2 1 344.434 1.872 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033139635 711936056 /nfs/dbraw/zinc/93/60/56/711936056.db2.gz HLJFKGDRDPWPEH-MSOLQXFVSA-N 2 1 333.476 1.186 20 30 EDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033139635 711936057 /nfs/dbraw/zinc/93/60/57/711936057.db2.gz HLJFKGDRDPWPEH-MSOLQXFVSA-N 2 1 333.476 1.186 20 30 EDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033139635 711936059 /nfs/dbraw/zinc/93/60/59/711936059.db2.gz HLJFKGDRDPWPEH-MSOLQXFVSA-N 2 1 333.476 1.186 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033160326 712256768 /nfs/dbraw/zinc/25/67/68/712256768.db2.gz DXDDTVKTLSBUDS-HOTGVXAUSA-N 2 1 339.430 1.662 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033160326 712256770 /nfs/dbraw/zinc/25/67/70/712256770.db2.gz DXDDTVKTLSBUDS-HOTGVXAUSA-N 2 1 339.430 1.662 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033160326 712256773 /nfs/dbraw/zinc/25/67/73/712256773.db2.gz DXDDTVKTLSBUDS-HOTGVXAUSA-N 2 1 339.430 1.662 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033160326 712256774 /nfs/dbraw/zinc/25/67/74/712256774.db2.gz DXDDTVKTLSBUDS-HOTGVXAUSA-N 2 1 339.430 1.662 20 30 EDEDMP COc1ccc(CCNC(=[NH2+])NCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000264070302 249330339 /nfs/dbraw/zinc/33/03/39/249330339.db2.gz DBNCNDMBARXYJR-OAHLLOKOSA-N 2 1 348.491 1.883 20 30 EDEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NCCCN2CCOCC2)c1 ZINC000264075647 249331173 /nfs/dbraw/zinc/33/11/73/249331173.db2.gz FQWYYIBQGPPDLC-UHFFFAOYSA-N 2 1 347.507 1.265 20 30 EDEDMP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264075647 249331175 /nfs/dbraw/zinc/33/11/75/249331175.db2.gz FQWYYIBQGPPDLC-UHFFFAOYSA-N 3 1 347.507 1.265 20 30 EDEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264075647 249331176 /nfs/dbraw/zinc/33/11/76/249331176.db2.gz FQWYYIBQGPPDLC-UHFFFAOYSA-N 3 1 347.507 1.265 20 30 EDEDMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@@H]3CNc4c(C#N)cnn4C3)C2)CC1 ZINC000518188172 267333766 /nfs/dbraw/zinc/33/37/66/267333766.db2.gz ZPZFEBIXWGXPHM-HOCLYGCPSA-N 2 1 328.464 1.460 20 30 EDEDMP C=CCN(CC=C)C(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182626142 442797305 /nfs/dbraw/zinc/79/73/05/442797305.db2.gz PBZDGBQIPIQTDW-DFNIBXOVSA-N 2 1 346.519 1.430 20 30 EDEDMP C[NH+]=C(NCCn1cnc2ccccc21)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262025578 443180222 /nfs/dbraw/zinc/18/02/22/443180222.db2.gz ZQVYMJVUFNXRCB-RHSMWYFYSA-N 2 1 340.475 1.684 20 30 EDEDMP COCCNC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000264104568 443248717 /nfs/dbraw/zinc/24/87/17/443248717.db2.gz PDBJEBVLMXXTBO-MRXNPFEDSA-N 2 1 334.464 1.773 20 30 EDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245938269 443258407 /nfs/dbraw/zinc/25/84/07/443258407.db2.gz TYKPVUQHZIBPPI-QZTJIDSGSA-N 2 1 336.524 1.511 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000295055425 444164630 /nfs/dbraw/zinc/16/46/30/444164630.db2.gz QSZVETMLQJOSDX-HNNXBMFYSA-N 2 1 345.443 1.735 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000295055425 444164633 /nfs/dbraw/zinc/16/46/33/444164633.db2.gz QSZVETMLQJOSDX-HNNXBMFYSA-N 2 1 345.443 1.735 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000297596857 444306512 /nfs/dbraw/zinc/30/65/12/444306512.db2.gz VNTCWTCRKQNZDT-SFHVURJKSA-N 2 1 346.475 1.552 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000290614899 444301596 /nfs/dbraw/zinc/30/15/96/444301596.db2.gz JUMPARKHAZFMPV-LMMKCTJWSA-N 2 1 330.476 1.541 20 30 EDEDMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328789984 444353750 /nfs/dbraw/zinc/35/37/50/444353750.db2.gz QDBTWMXOBFSNMG-RDTXWAMCSA-N 2 1 336.480 1.370 20 30 EDEDMP CNC(=O)CN1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000328799584 444356805 /nfs/dbraw/zinc/35/68/05/444356805.db2.gz HKVAMYNKXCHOJX-CYBMUJFWSA-N 2 1 328.482 1.431 20 30 EDEDMP CNC(=O)C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000328799584 444356809 /nfs/dbraw/zinc/35/68/09/444356809.db2.gz HKVAMYNKXCHOJX-CYBMUJFWSA-N 2 1 328.482 1.431 20 30 EDEDMP N#Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000325808325 444369635 /nfs/dbraw/zinc/36/96/35/444369635.db2.gz OWSBAAKBNPENLZ-ZWKOTPCHSA-N 2 1 326.444 1.638 20 30 EDEDMP CC(C)[C@@H]1CN(CC#CCN2CC[N@@H+](C)[C@@H](C(C)C)C2)CC[NH+]1C ZINC000342127287 444522604 /nfs/dbraw/zinc/52/26/04/444522604.db2.gz KLGOUDOGGGNTJP-BGYRXZFFSA-N 2 1 334.552 1.534 20 30 EDEDMP CC(C)[C@@H]1CN(CC#CCN2CC[NH+](C)[C@@H](C(C)C)C2)CC[N@@H+]1C ZINC000342127287 444522609 /nfs/dbraw/zinc/52/26/09/444522609.db2.gz KLGOUDOGGGNTJP-BGYRXZFFSA-N 2 1 334.552 1.534 20 30 EDEDMP CC(C)[C@@H]1CN(CC#CCN2CC[NH+](C)[C@@H](C(C)C)C2)CC[N@H+]1C ZINC000342127287 444522613 /nfs/dbraw/zinc/52/26/13/444522613.db2.gz KLGOUDOGGGNTJP-BGYRXZFFSA-N 2 1 334.552 1.534 20 30 EDEDMP CC[C@@H]1CN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC[NH+]1C[C@@H](C)O ZINC000329750371 444701070 /nfs/dbraw/zinc/70/10/70/444701070.db2.gz IBTLGHPGYDKCDU-KLZNWCGWSA-N 2 1 338.496 1.160 20 30 EDEDMP CC[C@@H]1CN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC[NH+]1C[C@@H](C)O ZINC000329750371 444701075 /nfs/dbraw/zinc/70/10/75/444701075.db2.gz IBTLGHPGYDKCDU-KLZNWCGWSA-N 2 1 338.496 1.160 20 30 EDEDMP C=CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000347136108 445232927 /nfs/dbraw/zinc/23/29/27/445232927.db2.gz TZWRLPFUTFDKOO-SFHVURJKSA-N 2 1 343.471 1.895 20 30 EDEDMP C#CC[C@H](C)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363360665 445780417 /nfs/dbraw/zinc/78/04/17/445780417.db2.gz KPFYDTSGJCDURM-INIZCTEOSA-N 2 1 334.508 1.894 20 30 EDEDMP C=CCSCCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364281609 445906643 /nfs/dbraw/zinc/90/66/43/445906643.db2.gz MZVNQKQINAZDSV-MRXNPFEDSA-N 2 1 340.537 1.716 20 30 EDEDMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3c[nH]c(C#N)c3)CC2)CC1 ZINC000376858752 446760459 /nfs/dbraw/zinc/76/04/59/446760459.db2.gz WCZUTKWHNNBHAK-UHFFFAOYSA-N 2 1 343.475 1.812 20 30 EDEDMP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(CC#N)cc3)cn2)CC1 ZINC000583993958 448467826 /nfs/dbraw/zinc/46/78/26/448467826.db2.gz GFUVMPUWDODMEJ-UHFFFAOYSA-N 2 1 336.443 1.584 20 30 EDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@](F)(C#N)C3)CC2)CC1 ZINC000594342192 449458920 /nfs/dbraw/zinc/45/89/20/449458920.db2.gz BTUKTPLWEFLONP-SFHVURJKSA-N 2 1 336.455 1.647 20 30 EDEDMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594439076 449518518 /nfs/dbraw/zinc/51/85/18/449518518.db2.gz NNWVIDOUURJZIP-GOSISDBHSA-N 2 1 343.475 1.784 20 30 EDEDMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000602878389 449887145 /nfs/dbraw/zinc/88/71/45/449887145.db2.gz RCFIHHYKKARBOS-GOSISDBHSA-N 2 1 343.471 1.910 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599657358 450133075 /nfs/dbraw/zinc/13/30/75/450133075.db2.gz HCSMZDMSABCWTC-HNNXBMFYSA-N 2 1 346.475 1.970 20 30 EDEDMP C=CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(C)(C)C ZINC000661754801 452554836 /nfs/dbraw/zinc/55/48/36/452554836.db2.gz BOHADLLGABXIRD-INIZCTEOSA-N 2 1 325.497 1.746 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000126763019 526922951 /nfs/dbraw/zinc/92/29/51/526922951.db2.gz OGLRHIWQIBQOMY-PKOBYXMFSA-N 2 1 329.488 1.807 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N1CCc2sccc2C1 ZINC000104173576 529101591 /nfs/dbraw/zinc/10/15/91/529101591.db2.gz UBSLUSVYDSFKEK-ZBFHGGJFSA-N 2 1 349.548 1.883 20 30 EDEDMP CCN(CC)c1ccc(C=[NH+]NCCC[NH+]2CCOCC2)c(O)c1 ZINC000799488883 581029229 /nfs/dbraw/zinc/02/92/29/581029229.db2.gz MCDJCJOMQJOWDV-UHFFFAOYSA-N 2 1 334.464 1.884 20 30 EDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)C(C)C ZINC000891940641 590698739 /nfs/dbraw/zinc/69/87/39/590698739.db2.gz QXPOLUGJUYQMAQ-FGTMMUONSA-N 2 1 334.508 1.888 20 30 EDEDMP CC(C)(C)NC(NCCC[NH+]1CCOCC1)=[NH+]CC[C@@H]1CCCO1 ZINC000912499169 593100820 /nfs/dbraw/zinc/10/08/20/593100820.db2.gz NBNRBAQPZJFMPC-INIZCTEOSA-N 2 1 340.512 1.612 20 30 EDEDMP N#Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000819063188 593736796 /nfs/dbraw/zinc/73/67/96/593736796.db2.gz WWKJUBZQKQZELT-OALUTQOASA-N 2 1 329.444 1.825 20 30 EDEDMP C[NH+]1CCN(c2ccnc(-c3noc([C@@H]([NH3+])CCCC#N)n3)c2)CC1 ZINC000822980721 594131625 /nfs/dbraw/zinc/13/16/25/594131625.db2.gz MHKBUOYXXNDKCA-AWEZNQCLSA-N 2 1 341.419 1.577 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000836240704 594941900 /nfs/dbraw/zinc/94/19/00/594941900.db2.gz CEIDKHKQJPBOIE-LJQANCHMSA-N 2 1 342.487 1.905 20 30 EDEDMP C[C@@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000852869566 595589381 /nfs/dbraw/zinc/58/93/81/595589381.db2.gz HLTBRYAGTQFHRW-APWZRJJASA-N 2 1 325.456 1.769 20 30 EDEDMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801736 597344849 /nfs/dbraw/zinc/34/48/49/597344849.db2.gz IDBCJDSAENLDOG-HCXYKTFWSA-N 2 1 340.471 1.762 20 30 EDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000876961719 597398234 /nfs/dbraw/zinc/39/82/34/597398234.db2.gz WJLLAPQWHMFTLZ-CVEARBPZSA-N 2 1 337.851 1.339 20 30 EDEDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000877134790 597440324 /nfs/dbraw/zinc/44/03/24/597440324.db2.gz XPJKMARRUQZOKN-PXNSSMCTSA-N 2 1 339.483 1.874 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000877134792 597440396 /nfs/dbraw/zinc/44/03/96/597440396.db2.gz XPJKMARRUQZOKN-YLJYHZDGSA-N 2 1 339.483 1.874 20 30 EDEDMP C[C@@H](O)CC[NH+](C)Cc1cc(C#N)cc(C[N@H+](C)CC[C@H](C)O)c1 ZINC000878134516 597580826 /nfs/dbraw/zinc/58/08/26/597580826.db2.gz RVXZZSQQTMJXNJ-IYBDPMFKSA-N 2 1 333.476 1.964 20 30 EDEDMP C[C@@H](O)CC[N@@H+](C)Cc1cc(C#N)cc(C[NH+](C)CC[C@H](C)O)c1 ZINC000878134516 597580827 /nfs/dbraw/zinc/58/08/27/597580827.db2.gz RVXZZSQQTMJXNJ-IYBDPMFKSA-N 2 1 333.476 1.964 20 30 EDEDMP C[C@@H](O)CC[N@H+](C)Cc1cc(C#N)cc(C[NH+](C)CC[C@H](C)O)c1 ZINC000878134516 597580828 /nfs/dbraw/zinc/58/08/28/597580828.db2.gz RVXZZSQQTMJXNJ-IYBDPMFKSA-N 2 1 333.476 1.964 20 30 EDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1)C2 ZINC000884278207 598052887 /nfs/dbraw/zinc/05/28/87/598052887.db2.gz GAWVICCOCUTCFE-VOLNDZDFSA-N 2 1 342.418 1.438 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884377413 598086217 /nfs/dbraw/zinc/08/62/17/598086217.db2.gz JVNKSIUAUHZNNR-INIZCTEOSA-N 2 1 329.448 1.257 20 30 EDEDMP N#CCOc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000881285893 598117587 /nfs/dbraw/zinc/11/75/87/598117587.db2.gz PTLYSFNWOUHAHC-UHFFFAOYSA-N 2 1 340.431 1.194 20 30 EDEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001031666629 697450489 /nfs/dbraw/zinc/45/04/89/697450489.db2.gz QUUCHXCXPBRWOD-IBGZPJMESA-N 2 1 340.471 1.979 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)CC2)C1 ZINC000941532251 701572833 /nfs/dbraw/zinc/57/28/33/701572833.db2.gz VKSKJYXCMQEVKK-SFHVURJKSA-N 2 1 348.535 1.513 20 30 EDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971764 701014160 /nfs/dbraw/zinc/01/41/60/701014160.db2.gz BZBWLSQTLROXML-IRXDYDNUSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971764 701014162 /nfs/dbraw/zinc/01/41/62/701014162.db2.gz BZBWLSQTLROXML-IRXDYDNUSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971764 701014164 /nfs/dbraw/zinc/01/41/64/701014164.db2.gz BZBWLSQTLROXML-IRXDYDNUSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971764 701014165 /nfs/dbraw/zinc/01/41/65/701014165.db2.gz BZBWLSQTLROXML-IRXDYDNUSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443945 701535875 /nfs/dbraw/zinc/53/58/75/701535875.db2.gz XEQCQLOOVSQBDU-KRWDZBQOSA-N 2 1 334.508 1.265 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443945 701535877 /nfs/dbraw/zinc/53/58/77/701535877.db2.gz XEQCQLOOVSQBDU-KRWDZBQOSA-N 2 1 334.508 1.265 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1(C)C ZINC000996335611 702718181 /nfs/dbraw/zinc/71/81/81/702718181.db2.gz ZHYPISCQVAUQHN-CEXWTWQISA-N 2 1 339.483 1.792 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001033094760 704178969 /nfs/dbraw/zinc/17/89/69/704178969.db2.gz JHWOEEQRGKDVPT-CKEIUWERSA-N 2 1 346.500 1.993 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@@H+]1C ZINC001033094760 704178973 /nfs/dbraw/zinc/17/89/73/704178973.db2.gz JHWOEEQRGKDVPT-CKEIUWERSA-N 2 1 346.500 1.993 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)CC[N@H+]1C ZINC001033094760 704178977 /nfs/dbraw/zinc/17/89/77/704178977.db2.gz JHWOEEQRGKDVPT-CKEIUWERSA-N 2 1 346.500 1.993 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001033094760 704178981 /nfs/dbraw/zinc/17/89/81/704178981.db2.gz JHWOEEQRGKDVPT-CKEIUWERSA-N 2 1 346.500 1.993 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)CC[NH+]1C ZINC001033094760 704178983 /nfs/dbraw/zinc/17/89/83/704178983.db2.gz JHWOEEQRGKDVPT-CKEIUWERSA-N 2 1 346.500 1.993 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000997830794 704750974 /nfs/dbraw/zinc/75/09/74/704750974.db2.gz AIIFQUHJFRLQMW-MOPGFXCFSA-N 2 1 347.503 1.481 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000997830794 704750979 /nfs/dbraw/zinc/75/09/79/704750979.db2.gz AIIFQUHJFRLQMW-MOPGFXCFSA-N 2 1 347.503 1.481 20 30 EDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC[C@@H]2C1 ZINC000946818305 707576374 /nfs/dbraw/zinc/57/63/74/707576374.db2.gz GZYJOJRQUCZGSW-RDGPPVDQSA-N 2 1 329.488 1.807 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818305 707576377 /nfs/dbraw/zinc/57/63/77/707576377.db2.gz GZYJOJRQUCZGSW-RDGPPVDQSA-N 2 1 329.488 1.807 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946818305 707576383 /nfs/dbraw/zinc/57/63/83/707576383.db2.gz GZYJOJRQUCZGSW-RDGPPVDQSA-N 2 1 329.488 1.807 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033535279 708164562 /nfs/dbraw/zinc/16/45/62/708164562.db2.gz DFPUYYSNDCZTOB-KRWDZBQOSA-N 2 1 325.416 1.990 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033535279 708164565 /nfs/dbraw/zinc/16/45/65/708164565.db2.gz DFPUYYSNDCZTOB-KRWDZBQOSA-N 2 1 325.416 1.990 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033661581 708474834 /nfs/dbraw/zinc/47/48/34/708474834.db2.gz LSKTWGUUDXMUQV-QZTJIDSGSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033661581 708474836 /nfs/dbraw/zinc/47/48/36/708474836.db2.gz LSKTWGUUDXMUQV-QZTJIDSGSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033661581 708474838 /nfs/dbraw/zinc/47/48/38/708474838.db2.gz LSKTWGUUDXMUQV-QZTJIDSGSA-N 2 1 326.444 1.543 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001034043098 709294221 /nfs/dbraw/zinc/29/42/21/709294221.db2.gz SROBPRDJOPDQOI-HUUCEWRRSA-N 2 1 346.500 1.994 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001034043098 709294223 /nfs/dbraw/zinc/29/42/23/709294223.db2.gz SROBPRDJOPDQOI-HUUCEWRRSA-N 2 1 346.500 1.994 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001034043098 709294224 /nfs/dbraw/zinc/29/42/24/709294224.db2.gz SROBPRDJOPDQOI-HUUCEWRRSA-N 2 1 346.500 1.994 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001034043098 709294225 /nfs/dbraw/zinc/29/42/25/709294225.db2.gz SROBPRDJOPDQOI-HUUCEWRRSA-N 2 1 346.500 1.994 20 30 EDEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034208308 709557496 /nfs/dbraw/zinc/55/74/96/709557496.db2.gz BDWVSSNBUJGBIC-MRXNPFEDSA-N 2 1 333.480 1.605 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034241245 709626834 /nfs/dbraw/zinc/62/68/34/709626834.db2.gz PPQYWWRERCOQAK-IEBWSBKVSA-N 2 1 347.503 1.624 20 30 EDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034241245 709626836 /nfs/dbraw/zinc/62/68/36/709626836.db2.gz PPQYWWRERCOQAK-IEBWSBKVSA-N 2 1 347.503 1.624 20 30 EDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034241245 709626838 /nfs/dbraw/zinc/62/68/38/709626838.db2.gz PPQYWWRERCOQAK-IEBWSBKVSA-N 2 1 347.503 1.624 20 30 EDEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034435152 710007996 /nfs/dbraw/zinc/00/79/96/710007996.db2.gz FZNLJLCYOPZGJD-GOSISDBHSA-N 2 1 347.507 1.995 20 30 EDEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001034524957 710174433 /nfs/dbraw/zinc/17/44/33/710174433.db2.gz JGZAZLHUXDTKOT-WOJBJXKFSA-N 2 1 339.483 1.961 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001034524957 710174434 /nfs/dbraw/zinc/17/44/34/710174434.db2.gz JGZAZLHUXDTKOT-WOJBJXKFSA-N 2 1 339.483 1.961 20 30 EDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001034524957 710174435 /nfs/dbraw/zinc/17/44/35/710174435.db2.gz JGZAZLHUXDTKOT-WOJBJXKFSA-N 2 1 339.483 1.961 20 30 EDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001034524957 710174436 /nfs/dbraw/zinc/17/44/36/710174436.db2.gz JGZAZLHUXDTKOT-WOJBJXKFSA-N 2 1 339.483 1.961 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001004140957 711540169 /nfs/dbraw/zinc/54/01/69/711540169.db2.gz AYCXOGHDCCPBKA-KRWDZBQOSA-N 2 1 326.444 1.591 20 30 EDEDMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001004140946 711540312 /nfs/dbraw/zinc/54/03/12/711540312.db2.gz ATFVLYVLXJQWSY-CYBMUJFWSA-N 2 1 332.473 1.652 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)s3)CC2)C1 ZINC001004140946 711540314 /nfs/dbraw/zinc/54/03/14/711540314.db2.gz ATFVLYVLXJQWSY-CYBMUJFWSA-N 2 1 332.473 1.652 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141879 711945091 /nfs/dbraw/zinc/94/50/91/711945091.db2.gz PHAAJBOZQNNMOG-ZWKOTPCHSA-N 2 1 335.492 1.739 20 30 EDEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033141879 711945093 /nfs/dbraw/zinc/94/50/93/711945093.db2.gz PHAAJBOZQNNMOG-ZWKOTPCHSA-N 2 1 335.492 1.739 20 30 EDEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033141879 711945095 /nfs/dbraw/zinc/94/50/95/711945095.db2.gz PHAAJBOZQNNMOG-ZWKOTPCHSA-N 2 1 335.492 1.739 20 30 EDEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000329399646 539433948 /nfs/dbraw/zinc/43/39/48/539433948.db2.gz YKZAEHPYYZBLJA-INIZCTEOSA-N 2 1 339.528 1.390 20 30 EDEDMP C[N@@H+](CCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CC1 ZINC000563001173 306315381 /nfs/dbraw/zinc/31/53/81/306315381.db2.gz QIHYSRBHEBXWCT-UHFFFAOYSA-N 2 1 335.473 1.796 20 30 EDEDMP Cc1ccccc1C(C)(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104182068 237060162 /nfs/dbraw/zinc/06/01/62/237060162.db2.gz AJJJCVJWFAXYDW-UHFFFAOYSA-N 2 1 332.492 1.899 20 30 EDEDMP COCCNC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000264104561 285003701 /nfs/dbraw/zinc/00/37/01/285003701.db2.gz PDBJEBVLMXXTBO-INIZCTEOSA-N 2 1 334.464 1.773 20 30 EDEDMP N#Cc1ccc(N2CCC([NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000367589780 154189653 /nfs/dbraw/zinc/18/96/53/154189653.db2.gz QQDYXNUHXYXAKW-PMACEKPBSA-N 2 1 340.471 1.980 20 30 EDEDMP N#Cc1ccc(N2CCC([NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000367589780 154189655 /nfs/dbraw/zinc/18/96/55/154189655.db2.gz QQDYXNUHXYXAKW-PMACEKPBSA-N 2 1 340.471 1.980 20 30 EDEDMP C[NH+]1CCN(CCCC[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123286099 287386739 /nfs/dbraw/zinc/38/67/39/287386739.db2.gz XWHNAWJCCKLKQZ-UHFFFAOYSA-N 2 1 326.448 1.323 20 30 EDEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cccs2)CC1 ZINC000158900616 441772533 /nfs/dbraw/zinc/77/25/33/441772533.db2.gz KHHKZICNLATDOF-HNNXBMFYSA-N 2 1 347.532 1.930 20 30 EDEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000170912758 442287680 /nfs/dbraw/zinc/28/76/80/442287680.db2.gz KELRTZAHTQRFFD-UHFFFAOYSA-N 2 1 329.448 1.066 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccccc1Cl ZINC000154568128 442345846 /nfs/dbraw/zinc/34/58/46/442345846.db2.gz NVTTVVRRTXMXJC-GUYCJALGSA-N 2 1 338.883 1.936 20 30 EDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262434094 443194458 /nfs/dbraw/zinc/19/44/58/443194458.db2.gz FWJKSZIWAVBSMC-OAHLLOKOSA-N 2 1 329.452 1.380 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1Cn1ccnc1 ZINC000264055253 443247438 /nfs/dbraw/zinc/24/74/38/443247438.db2.gz APBDEAFTGPANNI-SFHVURJKSA-N 2 1 340.475 1.820 20 30 EDEDMP COc1ccc(C[C@@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000270396520 443469621 /nfs/dbraw/zinc/46/96/21/443469621.db2.gz DGJQIZIEQOHCKF-MRXNPFEDSA-N 2 1 348.491 1.500 20 30 EDEDMP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303239381 444234869 /nfs/dbraw/zinc/23/48/69/444234869.db2.gz AEUYBOPLGPEXKA-CVEARBPZSA-N 2 1 338.496 1.019 20 30 EDEDMP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)C1=O ZINC000329174885 444492395 /nfs/dbraw/zinc/49/23/95/444492395.db2.gz LXAVTBPTHUCJLW-HOTGVXAUSA-N 2 1 334.464 1.265 20 30 EDEDMP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[N@H+]1C ZINC000329748587 444699854 /nfs/dbraw/zinc/69/98/54/444699854.db2.gz FMZCVSMFIZHUII-CVEARBPZSA-N 2 1 338.496 1.618 20 30 EDEDMP C[C@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCCCCC1 ZINC000329894987 444756942 /nfs/dbraw/zinc/75/69/42/444756942.db2.gz KJEVMMQWKIDPGH-OAHLLOKOSA-N 2 1 338.496 1.760 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000366287361 446128951 /nfs/dbraw/zinc/12/89/51/446128951.db2.gz ICLMEMZTTGHJEI-MSOLQXFVSA-N 2 1 333.476 1.091 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000491350930 448002263 /nfs/dbraw/zinc/00/22/63/448002263.db2.gz QUZGODHCOJHXJV-IBGZPJMESA-N 2 1 342.487 1.046 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000491350930 448002268 /nfs/dbraw/zinc/00/22/68/448002268.db2.gz QUZGODHCOJHXJV-IBGZPJMESA-N 2 1 342.487 1.046 20 30 EDEDMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCO1 ZINC000595907495 449246781 /nfs/dbraw/zinc/24/67/81/449246781.db2.gz VUGHNLNLTIWWIF-SFHVURJKSA-N 2 1 344.459 1.929 20 30 EDEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000594441258 449519781 /nfs/dbraw/zinc/51/97/81/449519781.db2.gz PYFYQDOPZLJEJS-INIZCTEOSA-N 2 1 334.489 1.846 20 30 EDEDMP N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000600733631 449523221 /nfs/dbraw/zinc/52/32/21/449523221.db2.gz FGLJICJNPWRLIP-ZWKOTPCHSA-N 2 1 329.444 1.398 20 30 EDEDMP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609159005 449970025 /nfs/dbraw/zinc/97/00/25/449970025.db2.gz DWFUCHYZZTVPCV-SFHVURJKSA-N 2 1 326.444 1.544 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609159005 449970040 /nfs/dbraw/zinc/97/00/40/449970040.db2.gz DWFUCHYZZTVPCV-SFHVURJKSA-N 2 1 326.444 1.544 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609159005 449970049 /nfs/dbraw/zinc/97/00/49/449970049.db2.gz DWFUCHYZZTVPCV-SFHVURJKSA-N 2 1 326.444 1.544 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000609159005 449970056 /nfs/dbraw/zinc/97/00/56/449970056.db2.gz DWFUCHYZZTVPCV-SFHVURJKSA-N 2 1 326.444 1.544 20 30 EDEDMP CC[NH+]1[C@H](C)CN(CC#CCN2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000639743072 452088541 /nfs/dbraw/zinc/08/85/41/452088541.db2.gz ZPCVNMWCWVCUMP-FGYAAKKASA-N 2 1 334.552 1.819 20 30 EDEDMP C=CC[C@@]1(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCC[NH2+]1 ZINC000662670823 453385042 /nfs/dbraw/zinc/38/50/42/453385042.db2.gz JTZPNZGFGMDUCQ-FQEVSTJZSA-N 2 1 343.471 1.833 20 30 EDEDMP N#Cc1ccsc1N1CC[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C1=O ZINC000363365416 526767936 /nfs/dbraw/zinc/76/79/36/526767936.db2.gz KTOSGKROJHFQBG-QWHCGFSZSA-N 2 1 327.413 1.526 20 30 EDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[NH+]1CCOCC1 ZINC000750871453 579784933 /nfs/dbraw/zinc/78/49/33/579784933.db2.gz LAENNSCMZWAACX-UHFFFAOYSA-N 2 1 344.459 1.171 20 30 EDEDMP CC(C)([NH3+])CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000892859221 591207490 /nfs/dbraw/zinc/20/74/90/591207490.db2.gz CTJITCQAKPFGHM-UHFFFAOYSA-N 2 1 343.475 1.903 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000900729206 592110329 /nfs/dbraw/zinc/11/03/29/592110329.db2.gz CBOXOHVQOWJNLA-DLBZAZTESA-N 2 1 325.497 1.748 20 30 EDEDMP C[C@H](c1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1)[NH+]1CCOCC1 ZINC000841115799 594853559 /nfs/dbraw/zinc/85/35/59/594853559.db2.gz WDGWPTVTMMXNQM-UKPHBRMFSA-N 2 1 343.431 1.313 20 30 EDEDMP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[NH+]1CCC(C)CC1 ZINC000876741568 597316724 /nfs/dbraw/zinc/31/67/24/597316724.db2.gz OBBLTYZVABRCPL-HNAYVOBHSA-N 2 1 340.471 1.982 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+]([C@@H]3CCc4ccccc43)C2)CC1 ZINC001031435105 697102972 /nfs/dbraw/zinc/10/29/72/697102972.db2.gz QBUFJMBMGVVSMV-HXUWFJFHSA-N 2 1 337.467 1.820 20 30 EDEDMP O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675996 697488576 /nfs/dbraw/zinc/48/85/76/697488576.db2.gz ZVHRNYKDOZHHQQ-FQEVSTJZSA-N 2 1 337.467 1.428 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941674678 701614544 /nfs/dbraw/zinc/61/45/44/701614544.db2.gz GTMHPDFRISXKFG-SFHVURJKSA-N 2 1 334.508 1.265 20 30 EDEDMP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083130998 700460923 /nfs/dbraw/zinc/46/09/23/700460923.db2.gz VXBDVRASCSSGFR-AWEZNQCLSA-N 2 1 326.448 1.544 20 30 EDEDMP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083130998 700460924 /nfs/dbraw/zinc/46/09/24/700460924.db2.gz VXBDVRASCSSGFR-AWEZNQCLSA-N 2 1 326.448 1.544 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940751637 700889599 /nfs/dbraw/zinc/88/95/99/700889599.db2.gz SAEDCQWPPRCANF-QGZVFWFLSA-N 2 1 347.507 1.851 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3cncn3C2)C(C)(C)C1 ZINC000940850435 700935406 /nfs/dbraw/zinc/93/54/06/700935406.db2.gz FJCRDURNTYVGNT-RDJZCZTQSA-N 2 1 328.460 1.686 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940839815 700936515 /nfs/dbraw/zinc/93/65/15/700936515.db2.gz PNUUPQHXFYNBJA-ZACQAIPSSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940839815 700936516 /nfs/dbraw/zinc/93/65/16/700936516.db2.gz PNUUPQHXFYNBJA-ZACQAIPSSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940839815 700936518 /nfs/dbraw/zinc/93/65/18/700936518.db2.gz PNUUPQHXFYNBJA-ZACQAIPSSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940839815 700936519 /nfs/dbraw/zinc/93/65/19/700936519.db2.gz PNUUPQHXFYNBJA-ZACQAIPSSA-N 2 1 337.508 1.888 20 30 EDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908388 700980282 /nfs/dbraw/zinc/98/02/82/700980282.db2.gz JJVFTGGYVKBNEQ-YJTLQXIOSA-N 2 1 333.476 1.252 20 30 EDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908388 700980283 /nfs/dbraw/zinc/98/02/83/700980283.db2.gz JJVFTGGYVKBNEQ-YJTLQXIOSA-N 2 1 333.476 1.252 20 30 EDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908388 700980284 /nfs/dbraw/zinc/98/02/84/700980284.db2.gz JJVFTGGYVKBNEQ-YJTLQXIOSA-N 2 1 333.476 1.252 20 30 EDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000941027421 701067504 /nfs/dbraw/zinc/06/75/04/701067504.db2.gz FCBZIRMCTFZDNL-QGZVFWFLSA-N 2 1 344.459 1.734 20 30 EDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C(C)(C)C1 ZINC000941027421 701067508 /nfs/dbraw/zinc/06/75/08/701067508.db2.gz FCBZIRMCTFZDNL-QGZVFWFLSA-N 2 1 344.459 1.734 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941090865 701134020 /nfs/dbraw/zinc/13/40/20/701134020.db2.gz LBCAZHVZISAUHH-KRWDZBQOSA-N 2 1 347.507 1.851 20 30 EDEDMP C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996611003 702916277 /nfs/dbraw/zinc/91/62/77/702916277.db2.gz LZBHOISUNOQYGC-OLZOCXBDSA-N 2 1 344.297 1.673 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000996684320 702982175 /nfs/dbraw/zinc/98/21/75/702982175.db2.gz IHZPXCJDRXKFOF-INIZCTEOSA-N 2 1 339.430 1.710 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000996684320 702982177 /nfs/dbraw/zinc/98/21/77/702982177.db2.gz IHZPXCJDRXKFOF-INIZCTEOSA-N 2 1 339.430 1.710 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000997005416 703262840 /nfs/dbraw/zinc/26/28/40/703262840.db2.gz DJFYAWFPMPUIBW-SUMWQHHRSA-N 2 1 346.500 1.898 20 30 EDEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997297114 703555560 /nfs/dbraw/zinc/55/55/60/703555560.db2.gz JAMAAELQZUMLRC-CRAIPNDOSA-N 2 1 342.487 1.994 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC000998796544 706243704 /nfs/dbraw/zinc/24/37/04/706243704.db2.gz PSBORCOEIAITIG-YOODTLSXSA-N 2 1 340.471 1.977 20 30 EDEDMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000998828202 706258474 /nfs/dbraw/zinc/25/84/74/706258474.db2.gz SJFCJXXDGVCEHM-BBRMVZONSA-N 2 1 348.472 1.031 20 30 EDEDMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000998828202 706258476 /nfs/dbraw/zinc/25/84/76/706258476.db2.gz SJFCJXXDGVCEHM-BBRMVZONSA-N 2 1 348.472 1.031 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000999391246 706904068 /nfs/dbraw/zinc/90/40/68/706904068.db2.gz JMJAWQCFUHBTOF-IRXDYDNUSA-N 2 1 331.485 1.926 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC000999391246 706904069 /nfs/dbraw/zinc/90/40/69/706904069.db2.gz JMJAWQCFUHBTOF-IRXDYDNUSA-N 2 1 331.485 1.926 20 30 EDEDMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033386461 707753533 /nfs/dbraw/zinc/75/35/33/707753533.db2.gz CFRWLFKEPHFYJA-IBGZPJMESA-N 2 1 340.471 1.933 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H]2CCCCO2)CC1 ZINC001032800471 708081044 /nfs/dbraw/zinc/08/10/44/708081044.db2.gz KIIBXPGETDNOSX-FHWLQOOXSA-N 2 1 345.487 1.186 20 30 EDEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034210507 709560607 /nfs/dbraw/zinc/56/06/07/709560607.db2.gz PIEJKSBZCKBMCD-OTWHNJEPSA-N 2 1 349.519 1.890 20 30 EDEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034321128 709771097 /nfs/dbraw/zinc/77/10/97/709771097.db2.gz RRPLUKLMQFJMPS-NNVNDSJASA-N 2 1 347.503 1.787 20 30 EDEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034321128 709771101 /nfs/dbraw/zinc/77/11/01/709771101.db2.gz RRPLUKLMQFJMPS-NNVNDSJASA-N 2 1 347.503 1.787 20 30 EDEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034321128 709771103 /nfs/dbraw/zinc/77/11/03/709771103.db2.gz RRPLUKLMQFJMPS-NNVNDSJASA-N 2 1 347.503 1.787 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@H](C)OC)C2)CC1 ZINC001034538358 710211050 /nfs/dbraw/zinc/21/10/50/710211050.db2.gz MTOAJIDLHGGYCU-FUHWJXTLSA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+]([C@@H](C)COC)C2)CC1 ZINC001034539183 710212677 /nfs/dbraw/zinc/21/26/77/710212677.db2.gz WSJAVYUGGUNWGV-WMZOPIPTSA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+]([C@@H](C)COC)C2)CC1 ZINC001034539181 710213052 /nfs/dbraw/zinc/21/30/52/710213052.db2.gz WSJAVYUGGUNWGV-FUHWJXTLSA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCCO2)CC1 ZINC001034663701 710333155 /nfs/dbraw/zinc/33/31/55/710333155.db2.gz IKJUOYWUMQQFDC-MKXGPGLRSA-N 2 1 347.503 1.670 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCCO2)CC1 ZINC001034663701 710333158 /nfs/dbraw/zinc/33/31/58/710333158.db2.gz IKJUOYWUMQQFDC-MKXGPGLRSA-N 2 1 347.503 1.670 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1 ZINC001034664132 710333568 /nfs/dbraw/zinc/33/35/68/710333568.db2.gz VSKIPTPEFNDVGV-VJANTYMQSA-N 2 1 347.503 1.528 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1 ZINC001034664132 710333571 /nfs/dbraw/zinc/33/35/71/710333571.db2.gz VSKIPTPEFNDVGV-VJANTYMQSA-N 2 1 347.503 1.528 20 30 EDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001004469836 711846399 /nfs/dbraw/zinc/84/63/99/711846399.db2.gz QOPVRTGAPUGWQM-KBAYOESNSA-N 2 1 333.476 1.042 20 30 EDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001004469836 711846401 /nfs/dbraw/zinc/84/64/01/711846401.db2.gz QOPVRTGAPUGWQM-KBAYOESNSA-N 2 1 333.476 1.042 20 30 EDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004469836 711846402 /nfs/dbraw/zinc/84/64/02/711846402.db2.gz QOPVRTGAPUGWQM-KBAYOESNSA-N 2 1 333.476 1.042 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004469836 711846403 /nfs/dbraw/zinc/84/64/03/711846403.db2.gz QOPVRTGAPUGWQM-KBAYOESNSA-N 2 1 333.476 1.042 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000128827099 237191778 /nfs/dbraw/zinc/19/17/78/237191778.db2.gz FDZCEEXMCZFXNY-KZNAEPCWSA-N 2 1 328.460 1.199 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000278863286 201310911 /nfs/dbraw/zinc/31/09/11/201310911.db2.gz MDTULARJLNLLBE-UHFFFAOYSA-N 2 1 327.428 1.913 20 30 EDEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000344156345 250016299 /nfs/dbraw/zinc/01/62/99/250016299.db2.gz LBIFNGGGHFWECK-QGZVFWFLSA-N 2 1 349.523 1.287 20 30 EDEDMP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)[N@@H+](C)C1 ZINC000346705169 143235154 /nfs/dbraw/zinc/23/51/54/143235154.db2.gz XLGUMIMTQUEGRL-ROUUACIJSA-N 2 1 344.459 1.168 20 30 EDEDMP C[N@H+]1CCC[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000521426835 267335730 /nfs/dbraw/zinc/33/57/30/267335730.db2.gz QNZBRTRDRFFKKB-INIZCTEOSA-N 2 1 335.473 1.653 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000296559027 275380446 /nfs/dbraw/zinc/38/04/46/275380446.db2.gz WSWIYVHHLZBDSC-KRWDZBQOSA-N 2 1 334.439 1.683 20 30 EDEDMP COc1cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)ccc1C#N ZINC000415122359 447391664 /nfs/dbraw/zinc/39/16/64/447391664.db2.gz IEIZROFSFXVGTG-MRXNPFEDSA-N 2 1 326.404 1.454 20 30 EDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806569 441040463 /nfs/dbraw/zinc/04/04/63/441040463.db2.gz LIRAAAYYVVTHDI-UHFFFAOYSA-N 2 1 336.480 1.586 20 30 EDEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000262830408 443213726 /nfs/dbraw/zinc/21/37/26/443213726.db2.gz VBKFMOFDDPKSKQ-DOTOQJQBSA-N 2 1 345.491 1.533 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccc(F)cc1F ZINC000267473268 443469649 /nfs/dbraw/zinc/46/96/49/443469649.db2.gz YOXNMHSTSWAPCV-CXAGYDPISA-N 2 1 340.418 1.561 20 30 EDEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccccc3C#N)CC[C@H]21 ZINC000325272154 444362633 /nfs/dbraw/zinc/36/26/33/444362633.db2.gz HNCIBLZYVDAZKD-FGTMMUONSA-N 2 1 329.444 1.714 20 30 EDEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3C#N)CC[C@H]21 ZINC000325272154 444362637 /nfs/dbraw/zinc/36/26/37/444362637.db2.gz HNCIBLZYVDAZKD-FGTMMUONSA-N 2 1 329.444 1.714 20 30 EDEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3C#N)CC[C@H]21 ZINC000325272154 444362641 /nfs/dbraw/zinc/36/26/41/444362641.db2.gz HNCIBLZYVDAZKD-FGTMMUONSA-N 2 1 329.444 1.714 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343779581 444585743 /nfs/dbraw/zinc/58/57/43/444585743.db2.gz ZUPHJKFDCJHESN-ZWKOTPCHSA-N 2 1 348.535 1.676 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343779581 444585750 /nfs/dbraw/zinc/58/57/50/444585750.db2.gz ZUPHJKFDCJHESN-ZWKOTPCHSA-N 2 1 348.535 1.676 20 30 EDEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C[NH+]1CCN(C)CC1 ZINC000329778879 444713989 /nfs/dbraw/zinc/71/39/89/444713989.db2.gz QMBHXONWCUFAII-ZACQAIPSSA-N 2 1 337.512 1.000 20 30 EDEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)CN1CC[NH+](C)CC1 ZINC000329778879 444713993 /nfs/dbraw/zinc/71/39/93/444713993.db2.gz QMBHXONWCUFAII-ZACQAIPSSA-N 2 1 337.512 1.000 20 30 EDEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)CN1CC[NH+](C)CC1 ZINC000329778879 444713998 /nfs/dbraw/zinc/71/39/98/444713998.db2.gz QMBHXONWCUFAII-ZACQAIPSSA-N 2 1 337.512 1.000 20 30 EDEDMP CCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000330741834 445121472 /nfs/dbraw/zinc/12/14/72/445121472.db2.gz PVFYTIJSOLKOHH-INIZCTEOSA-N 2 1 325.501 1.000 20 30 EDEDMP C=C[C@](C)(CCOC)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364842776 445960688 /nfs/dbraw/zinc/96/06/88/445960688.db2.gz BATZPTPTFNJFDK-IEBWSBKVSA-N 2 1 337.508 1.842 20 30 EDEDMP C=C[C@](C)(CCOC)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364842776 445960691 /nfs/dbraw/zinc/96/06/91/445960691.db2.gz BATZPTPTFNJFDK-IEBWSBKVSA-N 2 1 337.508 1.842 20 30 EDEDMP CC[NH+](C)C[C@@H]1CCN(CC#CCN2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000351416995 446062514 /nfs/dbraw/zinc/06/25/14/446062514.db2.gz QFDRLDMIDMYNLW-BGYRXZFFSA-N 2 1 334.552 1.537 20 30 EDEDMP CC[NH+](C)C[C@H]1CCN(CC#CCN2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000351416995 446062519 /nfs/dbraw/zinc/06/25/19/446062519.db2.gz QFDRLDMIDMYNLW-BGYRXZFFSA-N 2 1 334.552 1.537 20 30 EDEDMP CC[NH+](C)C[C@H]1CCN(CC#CCN2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000351416995 446062523 /nfs/dbraw/zinc/06/25/23/446062523.db2.gz QFDRLDMIDMYNLW-BGYRXZFFSA-N 2 1 334.552 1.537 20 30 EDEDMP C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000373529031 446248943 /nfs/dbraw/zinc/24/89/43/446248943.db2.gz KRPSMUCVNBKZTQ-OXJNMPFZSA-N 2 1 342.487 1.692 20 30 EDEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000375544581 446884723 /nfs/dbraw/zinc/88/47/23/446884723.db2.gz FMQFYLGDESJXKJ-INIZCTEOSA-N 2 1 329.444 1.778 20 30 EDEDMP C=CCN1CC[C@@H]([N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1=O ZINC000375594031 446913871 /nfs/dbraw/zinc/91/38/71/446913871.db2.gz BNQSGUCEXBZNFI-QGZVFWFLSA-N 2 1 343.475 1.781 20 30 EDEDMP C=CCN1CC[C@@H]([N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1=O ZINC000375594031 446913879 /nfs/dbraw/zinc/91/38/79/446913879.db2.gz BNQSGUCEXBZNFI-QGZVFWFLSA-N 2 1 343.475 1.781 20 30 EDEDMP C=CCN1CC[C@H]([N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)C1=O ZINC000420982097 446955763 /nfs/dbraw/zinc/95/57/63/446955763.db2.gz OPXQMEVAJUXSPS-SFHVURJKSA-N 2 1 334.508 1.265 20 30 EDEDMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000566007546 448386654 /nfs/dbraw/zinc/38/66/54/448386654.db2.gz GLJWJSBUPAMDMC-GOSISDBHSA-N 2 1 343.475 1.288 20 30 EDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@](C)(C#N)COC)CC2)CC1 ZINC000572615299 448424590 /nfs/dbraw/zinc/42/45/90/448424590.db2.gz WRNOGBQNXLEIEP-GOSISDBHSA-N 2 1 336.480 1.228 20 30 EDEDMP N#Cc1cnccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000592478418 448854070 /nfs/dbraw/zinc/85/40/70/448854070.db2.gz APUAMCNAKPLWSB-YOEHRIQHSA-N 2 1 327.432 1.033 20 30 EDEDMP N#Cc1cnccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000592478418 448854075 /nfs/dbraw/zinc/85/40/75/448854075.db2.gz APUAMCNAKPLWSB-YOEHRIQHSA-N 2 1 327.432 1.033 20 30 EDEDMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590022905 449098728 /nfs/dbraw/zinc/09/87/28/449098728.db2.gz CIVHWUBFASVOHX-IEBWSBKVSA-N 2 1 329.444 1.520 20 30 EDEDMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590022905 449098729 /nfs/dbraw/zinc/09/87/29/449098729.db2.gz CIVHWUBFASVOHX-IEBWSBKVSA-N 2 1 329.444 1.520 20 30 EDEDMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590022905 449098731 /nfs/dbraw/zinc/09/87/31/449098731.db2.gz CIVHWUBFASVOHX-IEBWSBKVSA-N 2 1 329.444 1.520 20 30 EDEDMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590022905 449098732 /nfs/dbraw/zinc/09/87/32/449098732.db2.gz CIVHWUBFASVOHX-IEBWSBKVSA-N 2 1 329.444 1.520 20 30 EDEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)nn1 ZINC000611241613 449234722 /nfs/dbraw/zinc/23/47/22/449234722.db2.gz OEJQYRPIJNSUCT-UHFFFAOYSA-N 2 1 342.491 1.981 20 30 EDEDMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(C#N)cn3)CC2)CC1 ZINC000593968313 449308903 /nfs/dbraw/zinc/30/89/03/449308903.db2.gz BLBWSLYTYSNDFI-UHFFFAOYSA-N 2 1 327.476 1.944 20 30 EDEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392097 449279345 /nfs/dbraw/zinc/27/93/45/449279345.db2.gz LMNWROQSDXNTKH-SFHVURJKSA-N 2 1 326.444 1.689 20 30 EDEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000594437140 449516163 /nfs/dbraw/zinc/51/61/63/449516163.db2.gz IPRRGBCQKOUHSL-QAPCUYQASA-N 2 1 328.460 1.961 20 30 EDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]([NH3+])CCCCC#N)C[C@H](C)O1 ZINC000594438950 449518537 /nfs/dbraw/zinc/51/85/37/449518537.db2.gz RHSIPPYLVVSCHV-VVLHAWIVSA-N 2 1 336.480 1.498 20 30 EDEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)[C@H]([NH3+])CCCCC#N)C[C@H](C)O1 ZINC000594438950 449518539 /nfs/dbraw/zinc/51/85/39/449518539.db2.gz RHSIPPYLVVSCHV-VVLHAWIVSA-N 2 1 336.480 1.498 20 30 EDEDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600728874 449520422 /nfs/dbraw/zinc/52/04/22/449520422.db2.gz CAIFXTGDQPXOSQ-WMZOPIPTSA-N 2 1 331.460 1.865 20 30 EDEDMP C=CC[C@@]1(C(=O)NC[C@@H](C(CC)CC)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662673919 453390261 /nfs/dbraw/zinc/39/02/61/453390261.db2.gz SPAOJGIXPGACKK-HKUYNNGSSA-N 2 1 337.508 1.938 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000104163129 529075077 /nfs/dbraw/zinc/07/50/77/529075077.db2.gz BKRAIESUOULWRZ-QGZVFWFLSA-N 3 1 347.507 1.516 20 30 EDEDMP CN1CCC(CNC(=[NH2+])NC[C@@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000262661690 536335764 /nfs/dbraw/zinc/33/57/64/536335764.db2.gz LVMLUPMZXRRSDD-INIZCTEOSA-N 2 1 337.512 1.020 20 30 EDEDMP COc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)ccc1C#N ZINC000903980592 592401397 /nfs/dbraw/zinc/40/13/97/592401397.db2.gz VGODPFNMVSRFPQ-KDURUIRLSA-N 2 1 340.471 1.967 20 30 EDEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)CC3(C#N)CC3)C2)[C@H]1C(C)C ZINC000905501901 592546343 /nfs/dbraw/zinc/54/63/43/592546343.db2.gz IENXDIIFJUSBRY-VDCDIQELSA-N 2 1 335.492 1.501 20 30 EDEDMP C[NH+]1CCN(c2ccnc(-c3noc([C@H]([NH3+])CCCC#N)n3)c2)CC1 ZINC000822980722 594131475 /nfs/dbraw/zinc/13/14/75/594131475.db2.gz MHKBUOYXXNDKCA-CQSZACIVSA-N 2 1 341.419 1.577 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000836486616 594968772 /nfs/dbraw/zinc/96/87/72/594968772.db2.gz HWDWXNXTRWGDCP-UHFFFAOYSA-N 2 1 342.487 1.777 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000836486616 594968773 /nfs/dbraw/zinc/96/87/73/594968773.db2.gz HWDWXNXTRWGDCP-UHFFFAOYSA-N 2 1 342.487 1.777 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000852857946 595578919 /nfs/dbraw/zinc/57/89/19/595578919.db2.gz KTDKJXYVZGTTFU-UHFFFAOYSA-N 2 1 341.455 1.138 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccn(C2CCCC2)n1 ZINC000119589024 596655349 /nfs/dbraw/zinc/65/53/49/596655349.db2.gz ZAHSEKVLHHJLBU-UHFFFAOYSA-N 2 1 334.468 1.125 20 30 EDEDMP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876723156 597306609 /nfs/dbraw/zinc/30/66/09/597306609.db2.gz OJZQEXBCQYTYIG-KSSFIOAISA-N 2 1 326.444 1.736 20 30 EDEDMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876723156 597306614 /nfs/dbraw/zinc/30/66/14/597306614.db2.gz OJZQEXBCQYTYIG-KSSFIOAISA-N 2 1 326.444 1.736 20 30 EDEDMP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876750616 597321042 /nfs/dbraw/zinc/32/10/42/597321042.db2.gz IZZPDJLUQMZWFE-FUHWJXTLSA-N 2 1 326.444 1.736 20 30 EDEDMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876750616 597321046 /nfs/dbraw/zinc/32/10/46/597321046.db2.gz IZZPDJLUQMZWFE-FUHWJXTLSA-N 2 1 326.444 1.736 20 30 EDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000876781534 597338974 /nfs/dbraw/zinc/33/89/74/597338974.db2.gz OIJRFCRRYXMGFG-MRXNPFEDSA-N 2 1 336.867 1.842 20 30 EDEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)CC[C@H]21 ZINC000876900549 597377399 /nfs/dbraw/zinc/37/73/99/597377399.db2.gz KZGUFMSSQQPAKV-QRQLOZEOSA-N 2 1 338.455 1.688 20 30 EDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591765 597648537 /nfs/dbraw/zinc/64/85/37/597648537.db2.gz UFUBJIDCOJNYQE-KRWDZBQOSA-N 2 1 336.524 1.511 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3ccncc3)c2)[C@H]1C ZINC000994106888 696535697 /nfs/dbraw/zinc/53/56/97/696535697.db2.gz AQNTWVDLXCCDED-CRAIPNDOSA-N 2 1 337.427 1.873 20 30 EDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000994106888 696535701 /nfs/dbraw/zinc/53/57/01/696535701.db2.gz AQNTWVDLXCCDED-CRAIPNDOSA-N 2 1 337.427 1.873 20 30 EDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902165 700976842 /nfs/dbraw/zinc/97/68/42/700976842.db2.gz YATMUXNUGYISKA-ZEVUXNIQSA-N 2 1 347.503 1.642 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902165 700976843 /nfs/dbraw/zinc/97/68/43/700976843.db2.gz YATMUXNUGYISKA-ZEVUXNIQSA-N 2 1 347.503 1.642 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902165 700976844 /nfs/dbraw/zinc/97/68/44/700976844.db2.gz YATMUXNUGYISKA-ZEVUXNIQSA-N 2 1 347.503 1.642 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(C#N)s3)C(C)(C)C2)C1 ZINC000996607557 702910792 /nfs/dbraw/zinc/91/07/92/702910792.db2.gz CRNCPJHWUBAXJA-CJNGLKHVSA-N 2 1 346.500 1.898 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996683386 702981101 /nfs/dbraw/zinc/98/11/01/702981101.db2.gz CBAUJIIRYWHKDQ-INIZCTEOSA-N 2 1 332.473 1.321 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996683386 702981103 /nfs/dbraw/zinc/98/11/03/702981103.db2.gz CBAUJIIRYWHKDQ-INIZCTEOSA-N 2 1 332.473 1.321 20 30 EDEDMP C[N@H+]1CCCC[C@H]1C(=O)NC1CCC([NH+]2CCN(CC#N)CC2)CC1 ZINC000996781133 703071897 /nfs/dbraw/zinc/07/18/97/703071897.db2.gz BEKGDONJPLJEGZ-ABHNRTSZSA-N 2 1 347.507 1.039 20 30 EDEDMP C=CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000996782037 703076991 /nfs/dbraw/zinc/07/69/91/703076991.db2.gz FTJKYGGHWGYDSI-CTWPCTMYSA-N 2 1 348.535 1.702 20 30 EDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997227927 703503791 /nfs/dbraw/zinc/50/37/91/703503791.db2.gz BHXVFVJEPPVVCO-LOPSVYGOSA-N 2 1 347.503 1.642 20 30 EDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997271039 703533614 /nfs/dbraw/zinc/53/36/14/703533614.db2.gz FWCMKGIFGQCWHM-SJLPKXTDSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997271039 703533615 /nfs/dbraw/zinc/53/36/15/703533615.db2.gz FWCMKGIFGQCWHM-SJLPKXTDSA-N 2 1 335.492 1.336 20 30 EDEDMP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998724424 706155697 /nfs/dbraw/zinc/15/56/97/706155697.db2.gz UCOCCWBMIZFZMG-CHWSQXEVSA-N 2 1 330.270 1.570 20 30 EDEDMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000999410409 706920287 /nfs/dbraw/zinc/92/02/87/706920287.db2.gz WZKUPQAHBJXDTL-VNCLNFNDSA-N 2 1 340.471 1.979 20 30 EDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731345 707268335 /nfs/dbraw/zinc/26/83/35/707268335.db2.gz MUZMCWBKYFZKLO-OTWHNJEPSA-N 2 1 349.519 1.842 20 30 EDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731345 707268338 /nfs/dbraw/zinc/26/83/38/707268338.db2.gz MUZMCWBKYFZKLO-OTWHNJEPSA-N 2 1 349.519 1.842 20 30 EDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731345 707268342 /nfs/dbraw/zinc/26/83/42/707268342.db2.gz MUZMCWBKYFZKLO-OTWHNJEPSA-N 2 1 349.519 1.842 20 30 EDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731345 707268346 /nfs/dbraw/zinc/26/83/46/707268346.db2.gz MUZMCWBKYFZKLO-OTWHNJEPSA-N 2 1 349.519 1.842 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000999835595 707469651 /nfs/dbraw/zinc/46/96/51/707469651.db2.gz GUWYOHYEIOTKIS-WWDZGPRUSA-N 2 1 326.444 1.589 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC000999837099 707473403 /nfs/dbraw/zinc/47/34/03/707473403.db2.gz NWBHMWGNPVCJHJ-RWBZWWBESA-N 2 1 344.434 1.728 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033983516 709192680 /nfs/dbraw/zinc/19/26/80/709192680.db2.gz SKHQWJFCBXFVNU-QGZVFWFLSA-N 2 1 333.480 1.557 20 30 EDEDMP C=CCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000922390928 711454568 /nfs/dbraw/zinc/45/45/68/711454568.db2.gz PIPAVKYVPKLPFF-TVFCKZIOSA-N 2 1 333.480 1.424 20 30 EDEDMP C=CCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000922390928 711454571 /nfs/dbraw/zinc/45/45/71/711454571.db2.gz PIPAVKYVPKLPFF-TVFCKZIOSA-N 2 1 333.480 1.424 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001004622021 712068682 /nfs/dbraw/zinc/06/86/82/712068682.db2.gz VTXDSXIWDLPIJA-MOPGFXCFSA-N 2 1 349.519 1.986 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004622021 712068684 /nfs/dbraw/zinc/06/86/84/712068684.db2.gz VTXDSXIWDLPIJA-MOPGFXCFSA-N 2 1 349.519 1.986 20 30 EDEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001004622021 712068685 /nfs/dbraw/zinc/06/86/85/712068685.db2.gz VTXDSXIWDLPIJA-MOPGFXCFSA-N 2 1 349.519 1.986 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001004622021 712068686 /nfs/dbraw/zinc/06/86/86/712068686.db2.gz VTXDSXIWDLPIJA-MOPGFXCFSA-N 2 1 349.519 1.986 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001004619001 712079843 /nfs/dbraw/zinc/07/98/43/712079843.db2.gz ZDRBMPYCXLZRSH-HKUYNNGSSA-N 2 1 347.503 1.291 20 30 EDEDMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1 ZINC000373224366 250234256 /nfs/dbraw/zinc/23/42/56/250234256.db2.gz SQJDQJUZDUCFCP-HCXYKTFWSA-N 2 1 334.508 1.843 20 30 EDEDMP N#CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000424128480 252133422 /nfs/dbraw/zinc/13/34/22/252133422.db2.gz FMWFHYJMDFLHHQ-KRWDZBQOSA-N 2 1 330.432 1.156 20 30 EDEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000264286488 139393651 /nfs/dbraw/zinc/39/36/51/139393651.db2.gz KUPUKKXHNXMSFR-OAHLLOKOSA-N 2 1 344.459 1.521 20 30 EDEDMP C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367681478 154228806 /nfs/dbraw/zinc/22/88/06/154228806.db2.gz CHTORVDEGLKTOJ-KRWDZBQOSA-N 2 1 337.427 1.565 20 30 EDEDMP C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367681478 154228810 /nfs/dbraw/zinc/22/88/10/154228810.db2.gz CHTORVDEGLKTOJ-KRWDZBQOSA-N 2 1 337.427 1.565 20 30 EDEDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000378300210 158133105 /nfs/dbraw/zinc/13/31/05/158133105.db2.gz VXPBAWUPQMNHMG-LJQANCHMSA-N 2 1 342.487 1.896 20 30 EDEDMP CC[NH2+]CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418326239 269659109 /nfs/dbraw/zinc/65/91/09/269659109.db2.gz NZSIUUOERFZVNO-UHFFFAOYSA-N 2 1 329.448 1.385 20 30 EDEDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000114751242 441681908 /nfs/dbraw/zinc/68/19/08/441681908.db2.gz POOGAQCCHNYHLZ-WBVHZDCISA-N 2 1 335.411 1.773 20 30 EDEDMP N#CCCN(CCC#N)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171385669 442345182 /nfs/dbraw/zinc/34/51/82/442345182.db2.gz NGYPYMVETWVUIX-UHFFFAOYSA-N 2 1 331.464 1.450 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248890908 442934768 /nfs/dbraw/zinc/93/47/68/442934768.db2.gz SQCYJCUSKLPILC-YLJYHZDGSA-N 2 1 339.483 1.968 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1cnc2ccccc21 ZINC000264136333 443252689 /nfs/dbraw/zinc/25/26/89/443252689.db2.gz VJDKXDHYLFEESI-HNNXBMFYSA-N 2 1 328.464 1.815 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1OC ZINC000267414320 443449198 /nfs/dbraw/zinc/44/91/98/443449198.db2.gz IXSXIGUBEKQRNA-HUUCEWRRSA-N 2 1 334.464 1.851 20 30 EDEDMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)n1C ZINC000328877471 444385501 /nfs/dbraw/zinc/38/55/01/444385501.db2.gz UBAHEOWRHDHWOY-HNNXBMFYSA-N 2 1 348.495 1.564 20 30 EDEDMP CC(C)[NH2+]C1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000331281547 444461674 /nfs/dbraw/zinc/46/16/74/444461674.db2.gz UWCDCCLBJKIJOU-UHFFFAOYSA-N 2 1 339.528 1.389 20 30 EDEDMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+](C2CC2)CC1 ZINC000330226174 444895845 /nfs/dbraw/zinc/89/58/45/444895845.db2.gz OPMFJLCCXYNWTQ-SJORKVTESA-N 2 1 336.480 1.058 20 30 EDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000350181761 445788146 /nfs/dbraw/zinc/78/81/46/445788146.db2.gz RBJXKYVDXZUJJK-GOSISDBHSA-N 2 1 344.459 1.929 20 30 EDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000350181761 445788150 /nfs/dbraw/zinc/78/81/50/445788150.db2.gz RBJXKYVDXZUJJK-GOSISDBHSA-N 2 1 344.459 1.929 20 30 EDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000364340605 445912564 /nfs/dbraw/zinc/91/25/64/445912564.db2.gz HDNKEYIOWZJJGL-WBVHZDCISA-N 2 1 344.459 1.498 20 30 EDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000364340605 445912570 /nfs/dbraw/zinc/91/25/70/445912570.db2.gz HDNKEYIOWZJJGL-WBVHZDCISA-N 2 1 344.459 1.498 20 30 EDEDMP CN(CCC#N)C(=O)CC[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372524950 447109857 /nfs/dbraw/zinc/10/98/57/447109857.db2.gz WBCNFSAYQGFRMJ-HKUYNNGSSA-N 2 1 343.475 1.768 20 30 EDEDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528560318 448587638 /nfs/dbraw/zinc/58/76/38/448587638.db2.gz HXSYOYOERAPPAE-ZWKOTPCHSA-N 2 1 347.459 1.341 20 30 EDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCO1 ZINC000528560318 448587642 /nfs/dbraw/zinc/58/76/42/448587642.db2.gz HXSYOYOERAPPAE-ZWKOTPCHSA-N 2 1 347.459 1.341 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000597941433 449151311 /nfs/dbraw/zinc/15/13/11/449151311.db2.gz AQVJPTMVQKUJTC-INIZCTEOSA-N 2 1 342.487 1.978 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000597941433 449151315 /nfs/dbraw/zinc/15/13/15/449151315.db2.gz AQVJPTMVQKUJTC-INIZCTEOSA-N 2 1 342.487 1.978 20 30 EDEDMP C[NH+](C)CC1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000602048009 449300087 /nfs/dbraw/zinc/30/00/87/449300087.db2.gz UDTNJOFSYOWZIS-UHFFFAOYSA-N 2 1 340.471 1.934 20 30 EDEDMP C[NH+](C)CC1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000602048009 449300092 /nfs/dbraw/zinc/30/00/92/449300092.db2.gz UDTNJOFSYOWZIS-UHFFFAOYSA-N 2 1 340.471 1.934 20 30 EDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000594441692 449520103 /nfs/dbraw/zinc/52/01/03/449520103.db2.gz UXUWVSZUHGLCKH-GOSISDBHSA-N 2 1 344.459 1.546 20 30 EDEDMP C[NH+]1CCN([C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)c2cccs2)CC1 ZINC000600727624 449520483 /nfs/dbraw/zinc/52/04/83/449520483.db2.gz PAUGKANXVDDHTA-HZPDHXFCSA-N 2 1 348.516 1.681 20 30 EDEDMP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000598716163 449560266 /nfs/dbraw/zinc/56/02/66/449560266.db2.gz YSCZGPIJSKSVEL-SFHVURJKSA-N 2 1 331.460 1.909 20 30 EDEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000662079504 452825920 /nfs/dbraw/zinc/82/59/20/452825920.db2.gz GVMVKGKOGSWDKU-KSZLIROESA-N 2 1 335.492 1.642 20 30 EDEDMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000662079504 452825930 /nfs/dbraw/zinc/82/59/30/452825930.db2.gz GVMVKGKOGSWDKU-KSZLIROESA-N 2 1 335.492 1.642 20 30 EDEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000662079504 452825933 /nfs/dbraw/zinc/82/59/33/452825933.db2.gz GVMVKGKOGSWDKU-KSZLIROESA-N 2 1 335.492 1.642 20 30 EDEDMP C=CC[C@@]1(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000662701320 453422298 /nfs/dbraw/zinc/42/22/98/453422298.db2.gz OLXTVFGKMCRBRX-NSHGMRRFSA-N 2 1 348.535 1.702 20 30 EDEDMP N#CCOc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000779604011 580491104 /nfs/dbraw/zinc/49/11/04/580491104.db2.gz QYDSVCLNKHZGSH-UHFFFAOYSA-N 2 1 345.443 1.248 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000792579127 580823407 /nfs/dbraw/zinc/82/34/07/580823407.db2.gz UPKJNKGPTYCZPV-ZCNNSNEGSA-N 2 1 337.467 1.674 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000792579127 580823408 /nfs/dbraw/zinc/82/34/08/580823408.db2.gz UPKJNKGPTYCZPV-ZCNNSNEGSA-N 2 1 337.467 1.674 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792579127 580823409 /nfs/dbraw/zinc/82/34/09/580823409.db2.gz UPKJNKGPTYCZPV-ZCNNSNEGSA-N 2 1 337.467 1.674 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792579127 580823410 /nfs/dbraw/zinc/82/34/10/580823410.db2.gz UPKJNKGPTYCZPV-ZCNNSNEGSA-N 2 1 337.467 1.674 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900599205 592064695 /nfs/dbraw/zinc/06/46/95/592064695.db2.gz PJPQFNYWSZHCOF-UHFFFAOYSA-N 2 1 336.524 1.559 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000846444740 595234608 /nfs/dbraw/zinc/23/46/08/595234608.db2.gz WLSGQSUNJHMTQH-OALUTQOASA-N 2 1 343.471 1.606 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000852868982 595588612 /nfs/dbraw/zinc/58/86/12/595588612.db2.gz RNWOKNNVVJNCNX-LJQANCHMSA-N 2 1 325.456 1.770 20 30 EDEDMP CN(C)c1ccc(C#N)cc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000865450629 596579493 /nfs/dbraw/zinc/57/94/93/596579493.db2.gz ONKRDSVZBDECOO-MRXNPFEDSA-N 2 1 343.475 1.301 20 30 EDEDMP CN(C)c1ccc(C#N)cc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000865450629 596579494 /nfs/dbraw/zinc/57/94/94/596579494.db2.gz ONKRDSVZBDECOO-MRXNPFEDSA-N 2 1 343.475 1.301 20 30 EDEDMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876955960 597396031 /nfs/dbraw/zinc/39/60/31/597396031.db2.gz CUQQDNVNTGHMFW-YJBOKZPZSA-N 2 1 340.471 1.982 20 30 EDEDMP CN(C)c1ccc(C#N)cc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877747297 597552833 /nfs/dbraw/zinc/55/28/33/597552833.db2.gz YYEMFDOQMWRUSS-UHFFFAOYSA-N 2 1 341.503 1.836 20 30 EDEDMP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)CC(C)(C)O)c1)CC(C)(C)O ZINC000878108920 597579166 /nfs/dbraw/zinc/57/91/66/597579166.db2.gz OJWRZEOKMBLZAQ-UHFFFAOYSA-N 2 1 333.476 1.964 20 30 EDEDMP C#CCOc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128029251 597730281 /nfs/dbraw/zinc/73/02/81/597730281.db2.gz IKJYFECXKBTFQZ-WMZOPIPTSA-N 2 1 343.471 1.937 20 30 EDEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]21 ZINC000992748575 695270877 /nfs/dbraw/zinc/27/08/77/695270877.db2.gz MRZKPLTXQGGAFE-GVDBMIGSSA-N 2 1 340.471 1.612 20 30 EDEDMP C#CCN(C(=O)NC[C@@H](C)Cn1cc[nH+]c1C)C1CC[NH+](C)CC1 ZINC000915656873 695964012 /nfs/dbraw/zinc/96/40/12/695964012.db2.gz DHJRJJWFKUZUCE-OAHLLOKOSA-N 2 1 331.464 1.567 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000941677903 701616259 /nfs/dbraw/zinc/61/62/59/701616259.db2.gz YHOCECGZQIXPHA-SFHVURJKSA-N 2 1 334.508 1.121 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ocnc2C)CC1 ZINC000940157853 700289298 /nfs/dbraw/zinc/28/92/98/700289298.db2.gz BVWUJIGOKIXVJT-INIZCTEOSA-N 2 1 344.459 1.551 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ocnc2C)CC1 ZINC000940157853 700289302 /nfs/dbraw/zinc/28/93/02/700289302.db2.gz BVWUJIGOKIXVJT-INIZCTEOSA-N 2 1 344.459 1.551 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccns2)CC1 ZINC000940158134 700290090 /nfs/dbraw/zinc/29/00/90/700290090.db2.gz QKEMDWVGAAZCRQ-INIZCTEOSA-N 2 1 346.500 1.711 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccns2)CC1 ZINC000940158134 700290093 /nfs/dbraw/zinc/29/00/93/700290093.db2.gz QKEMDWVGAAZCRQ-INIZCTEOSA-N 2 1 346.500 1.711 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940751636 700889706 /nfs/dbraw/zinc/88/97/06/700889706.db2.gz SAEDCQWPPRCANF-KRWDZBQOSA-N 2 1 347.507 1.851 20 30 EDEDMP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001031921654 701063978 /nfs/dbraw/zinc/06/39/78/701063978.db2.gz YQFMVFMARSBSLP-KXBFYZLASA-N 2 1 340.471 1.837 20 30 EDEDMP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001031921654 701063980 /nfs/dbraw/zinc/06/39/80/701063980.db2.gz YQFMVFMARSBSLP-KXBFYZLASA-N 2 1 340.471 1.837 20 30 EDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091566 701135330 /nfs/dbraw/zinc/13/53/30/701135330.db2.gz WSISUEYMDSAXRP-MRXNPFEDSA-N 2 1 333.480 1.461 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1(C)C ZINC000995845173 702126125 /nfs/dbraw/zinc/12/61/25/702126125.db2.gz IHCJURGGPBMFOS-HZPDHXFCSA-N 2 1 329.448 1.250 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1(C)C ZINC000995845173 702126127 /nfs/dbraw/zinc/12/61/27/702126127.db2.gz IHCJURGGPBMFOS-HZPDHXFCSA-N 2 1 329.448 1.250 20 30 EDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995898314 702202756 /nfs/dbraw/zinc/20/27/56/702202756.db2.gz SWPHRFLHYUIAID-HZPDHXFCSA-N 2 1 333.480 1.216 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2coc(C)n2)CC1 ZINC000996687621 702984966 /nfs/dbraw/zinc/98/49/66/702984966.db2.gz YEPZHBOOAOUZJP-KRWDZBQOSA-N 2 1 330.432 1.161 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2coc(C)n2)CC1 ZINC000996687621 702984968 /nfs/dbraw/zinc/98/49/68/702984968.db2.gz YEPZHBOOAOUZJP-KRWDZBQOSA-N 2 1 330.432 1.161 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cc(F)ccc3C#N)CC2)C1 ZINC000997298406 703556360 /nfs/dbraw/zinc/55/63/60/703556360.db2.gz IZSBGXKNLFLMRR-OAHLLOKOSA-N 2 1 344.434 1.730 20 30 EDEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@H]1C)N1CCC(C(=O)OC)CC1 ZINC000073631382 706816219 /nfs/dbraw/zinc/81/62/19/706816219.db2.gz SLGLOVVJHSWTCZ-CABCVRRESA-N 2 1 338.496 1.710 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000998064739 705274765 /nfs/dbraw/zinc/27/47/65/705274765.db2.gz AZTYFJUSISXZCX-NNVNDSJASA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000998064739 705274771 /nfs/dbraw/zinc/27/47/71/705274771.db2.gz AZTYFJUSISXZCX-NNVNDSJASA-N 2 1 345.487 1.186 20 30 EDEDMP C=C(Br)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999682699 707168357 /nfs/dbraw/zinc/16/83/57/707168357.db2.gz SPMGDMMBQBKQBJ-HSBZDZAISA-N 2 1 344.297 1.816 20 30 EDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001040531008 708065996 /nfs/dbraw/zinc/06/59/96/708065996.db2.gz NCBWKWNJZMAGFR-UYAOXDASSA-N 2 1 347.503 1.293 20 30 EDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCc2sccc2C1 ZINC001032798182 708075289 /nfs/dbraw/zinc/07/52/89/708075289.db2.gz UJNPJUNDBZKHKU-HOTGVXAUSA-N 2 1 331.485 1.967 20 30 EDEDMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033666823 708452899 /nfs/dbraw/zinc/45/28/99/708452899.db2.gz ZWWZHBVNBDGQLA-GOSISDBHSA-N 2 1 326.444 1.687 20 30 EDEDMP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001002443525 708963463 /nfs/dbraw/zinc/96/34/63/708963463.db2.gz DZYVXLQECKVGKI-GOSISDBHSA-N 2 1 344.434 1.872 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001002443525 708963467 /nfs/dbraw/zinc/96/34/67/708963467.db2.gz DZYVXLQECKVGKI-GOSISDBHSA-N 2 1 344.434 1.872 20 30 EDEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001034043554 709294608 /nfs/dbraw/zinc/29/46/08/709294608.db2.gz WJPXJNRKAOJJOJ-OALUTQOASA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034043554 709294611 /nfs/dbraw/zinc/29/46/11/709294611.db2.gz WJPXJNRKAOJJOJ-OALUTQOASA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034043554 709294612 /nfs/dbraw/zinc/29/46/12/709294612.db2.gz WJPXJNRKAOJJOJ-OALUTQOASA-N 2 1 340.471 1.933 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnccc2C)CC1 ZINC001003054999 709892435 /nfs/dbraw/zinc/89/24/35/709892435.db2.gz DYMDMHSXDQYWKK-IBGZPJMESA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnccc2C)CC1 ZINC001003054999 709892442 /nfs/dbraw/zinc/89/24/42/709892442.db2.gz DYMDMHSXDQYWKK-IBGZPJMESA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@H](CC)OC)C2)CC1 ZINC001034538553 710211279 /nfs/dbraw/zinc/21/12/79/710211279.db2.gz PIVUHGHCEJRDKW-MOPGFXCFSA-N 2 1 349.519 1.727 20 30 EDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001034660225 710590297 /nfs/dbraw/zinc/59/02/97/710590297.db2.gz XJAAIVDUAAVFQH-BQFCYCMXSA-N 2 1 335.492 1.833 20 30 EDEDMP CC1(C)CC[N@@H+](CC(=O)N2CCC([C@@H]3CCCN3CC#N)CC2)C1 ZINC001004543693 711954945 /nfs/dbraw/zinc/95/49/45/711954945.db2.gz QRJCMEISCYFASS-KRWDZBQOSA-N 2 1 332.492 1.945 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004573860 712000039 /nfs/dbraw/zinc/00/00/39/712000039.db2.gz BKXWQXQJHLVYFB-GOSISDBHSA-N 2 1 335.492 1.598 20 30 EDEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004573860 712000041 /nfs/dbraw/zinc/00/00/41/712000041.db2.gz BKXWQXQJHLVYFB-GOSISDBHSA-N 2 1 335.492 1.598 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@@H+]3CCO)CC2)CC1 ZINC001004622168 712068738 /nfs/dbraw/zinc/06/87/38/712068738.db2.gz WPQIQLBZJSWOSW-LJQANCHMSA-N 2 1 347.503 1.027 20 30 EDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC[C@@H]2C1 ZINC000946642723 712128616 /nfs/dbraw/zinc/12/86/16/712128616.db2.gz QSHKAPNOCGKKCG-ZSYWTGECSA-N 2 1 329.488 1.807 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC[C@@H]2C1 ZINC000946642723 712128618 /nfs/dbraw/zinc/12/86/18/712128618.db2.gz QSHKAPNOCGKKCG-ZSYWTGECSA-N 2 1 329.488 1.807 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC[C@@H]2C1 ZINC000946642723 712128621 /nfs/dbraw/zinc/12/86/21/712128621.db2.gz QSHKAPNOCGKKCG-ZSYWTGECSA-N 2 1 329.488 1.807 20 30 EDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642721 712128673 /nfs/dbraw/zinc/12/86/73/712128673.db2.gz QSHKAPNOCGKKCG-HCXYKTFWSA-N 2 1 329.488 1.807 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642721 712128675 /nfs/dbraw/zinc/12/86/75/712128675.db2.gz QSHKAPNOCGKKCG-HCXYKTFWSA-N 2 1 329.488 1.807 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642721 712128677 /nfs/dbraw/zinc/12/86/77/712128677.db2.gz QSHKAPNOCGKKCG-HCXYKTFWSA-N 2 1 329.488 1.807 20 30 EDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374319318 250259729 /nfs/dbraw/zinc/25/97/29/250259729.db2.gz XKFKWWIHXKDINE-CQSZACIVSA-N 2 1 334.464 1.195 20 30 EDEDMP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418703046 251388591 /nfs/dbraw/zinc/38/85/91/251388591.db2.gz QMSXJEFHVDTLFD-CABCVRRESA-N 2 1 329.448 1.511 20 30 EDEDMP C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367681523 154228136 /nfs/dbraw/zinc/22/81/36/154228136.db2.gz COGWFNVFOYBQQG-QGZVFWFLSA-N 2 1 337.427 1.565 20 30 EDEDMP C[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367681523 154228141 /nfs/dbraw/zinc/22/81/41/154228141.db2.gz COGWFNVFOYBQQG-QGZVFWFLSA-N 2 1 337.427 1.565 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000068095304 441727791 /nfs/dbraw/zinc/72/77/91/441727791.db2.gz WPYQIDMTYLXNRO-MRXNPFEDSA-N 2 1 333.476 1.043 20 30 EDEDMP COCCN1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000173643956 441813792 /nfs/dbraw/zinc/81/37/92/441813792.db2.gz SVROGVNJLVMIHL-AWEZNQCLSA-N 2 1 330.432 1.586 20 30 EDEDMP CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)C12CCOCC2 ZINC000248629324 442909833 /nfs/dbraw/zinc/90/98/33/442909833.db2.gz GGYXIJVCZGPNGK-OWCLPIDISA-N 2 1 338.496 1.349 20 30 EDEDMP C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749878 443249300 /nfs/dbraw/zinc/24/93/00/443249300.db2.gz VRIDJOWKFGZXNV-DLBZAZTESA-N 2 1 345.491 1.885 20 30 EDEDMP C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749878 443249305 /nfs/dbraw/zinc/24/93/05/443249305.db2.gz VRIDJOWKFGZXNV-DLBZAZTESA-N 2 1 345.491 1.885 20 30 EDEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000191489447 443302414 /nfs/dbraw/zinc/30/24/14/443302414.db2.gz OHCGMGXZZYLQAL-GOSISDBHSA-N 2 1 331.464 1.966 20 30 EDEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000191489447 443302417 /nfs/dbraw/zinc/30/24/17/443302417.db2.gz OHCGMGXZZYLQAL-GOSISDBHSA-N 2 1 331.464 1.966 20 30 EDEDMP CCCCNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267453866 443462917 /nfs/dbraw/zinc/46/29/17/443462917.db2.gz SHMGYHDDVDVGBH-QGZVFWFLSA-N 2 1 345.491 1.588 20 30 EDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)C(C)C ZINC000264894049 443469686 /nfs/dbraw/zinc/46/96/86/443469686.db2.gz KJGBSVGFGRVGPQ-MSOLQXFVSA-N 2 1 336.524 1.437 20 30 EDEDMP CC[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1cccc(C)c1 ZINC000267672632 443535902 /nfs/dbraw/zinc/53/59/02/443535902.db2.gz OHQKONXAJLPGSS-QGZVFWFLSA-N 2 1 348.491 1.779 20 30 EDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000299256282 443997336 /nfs/dbraw/zinc/99/73/36/443997336.db2.gz RNSNOOVYHQWMEX-GOSISDBHSA-N 2 1 343.475 1.726 20 30 EDEDMP Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH+](C4CC4)C3)CC2)cn1 ZINC000329320448 444533931 /nfs/dbraw/zinc/53/39/31/444533931.db2.gz GHINPJCRJPMHEJ-MRXNPFEDSA-N 2 1 346.479 1.079 20 30 EDEDMP Cn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH+](C4CC4)C3)CC2)cn1 ZINC000329320448 444533936 /nfs/dbraw/zinc/53/39/36/444533936.db2.gz GHINPJCRJPMHEJ-MRXNPFEDSA-N 2 1 346.479 1.079 20 30 EDEDMP Cn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cn1 ZINC000329320448 444533941 /nfs/dbraw/zinc/53/39/41/444533941.db2.gz GHINPJCRJPMHEJ-MRXNPFEDSA-N 2 1 346.479 1.079 20 30 EDEDMP Cn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)cn1 ZINC000329320448 444533946 /nfs/dbraw/zinc/53/39/46/444533946.db2.gz GHINPJCRJPMHEJ-MRXNPFEDSA-N 2 1 346.479 1.079 20 30 EDEDMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000329763991 444707743 /nfs/dbraw/zinc/70/77/43/444707743.db2.gz VEKZYENOFBWGLU-NPYXIHBLSA-N 2 1 338.496 1.304 20 30 EDEDMP CC[C@@H](O)C[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000329763991 444707747 /nfs/dbraw/zinc/70/77/47/444707747.db2.gz VEKZYENOFBWGLU-NPYXIHBLSA-N 2 1 338.496 1.304 20 30 EDEDMP Cn1cncc1[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000330331815 444940190 /nfs/dbraw/zinc/94/01/90/444940190.db2.gz OJGZVRNTNICBML-WWGRRREGSA-N 2 1 333.436 1.381 20 30 EDEDMP C(#CCN1CC[NH+]2CCCC[C@H]2C1)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000341902597 445063155 /nfs/dbraw/zinc/06/31/55/445063155.db2.gz AAJBSZOAAWBIMX-BGYRXZFFSA-N 2 1 330.520 1.330 20 30 EDEDMP C(#CCN1CC[N@@H+]2CCCC[C@H]2C1)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000341902597 445063156 /nfs/dbraw/zinc/06/31/56/445063156.db2.gz AAJBSZOAAWBIMX-BGYRXZFFSA-N 2 1 330.520 1.330 20 30 EDEDMP C(#CCN1CC[N@H+]2CCCC[C@H]2C1)CN1CC[NH+]2CCCC[C@@H]2C1 ZINC000341902597 445063159 /nfs/dbraw/zinc/06/31/59/445063159.db2.gz AAJBSZOAAWBIMX-BGYRXZFFSA-N 2 1 330.520 1.330 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000491268495 447977233 /nfs/dbraw/zinc/97/72/33/447977233.db2.gz ZXGZWUHKXWTGGE-SFHVURJKSA-N 2 1 328.460 1.365 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000491268495 447977237 /nfs/dbraw/zinc/97/72/37/447977237.db2.gz ZXGZWUHKXWTGGE-SFHVURJKSA-N 2 1 328.460 1.365 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000491268495 447977242 /nfs/dbraw/zinc/97/72/42/447977242.db2.gz ZXGZWUHKXWTGGE-SFHVURJKSA-N 2 1 328.460 1.365 20 30 EDEDMP Cc1ccc(NCCC[NH2+]C[C@@H](O)COc2ccccc2C#N)[nH+]c1 ZINC000600731812 449522423 /nfs/dbraw/zinc/52/24/23/449522423.db2.gz ZYTFPLKJBWHXRJ-QGZVFWFLSA-N 2 1 340.427 2.093 20 30 EDEDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000602890281 449897835 /nfs/dbraw/zinc/89/78/35/449897835.db2.gz GEGXHIZVCUCWLR-SFHVURJKSA-N 2 1 330.432 1.275 20 30 EDEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000602890281 449897843 /nfs/dbraw/zinc/89/78/43/449897843.db2.gz GEGXHIZVCUCWLR-SFHVURJKSA-N 2 1 330.432 1.275 20 30 EDEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000595506149 450193885 /nfs/dbraw/zinc/19/38/85/450193885.db2.gz ANGDQWGSSYOFSX-IEBWSBKVSA-N 2 1 329.444 1.716 20 30 EDEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000595506149 450193892 /nfs/dbraw/zinc/19/38/92/450193892.db2.gz ANGDQWGSSYOFSX-IEBWSBKVSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000595506149 450193896 /nfs/dbraw/zinc/19/38/96/450193896.db2.gz ANGDQWGSSYOFSX-IEBWSBKVSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000595506149 450193903 /nfs/dbraw/zinc/19/39/03/450193903.db2.gz ANGDQWGSSYOFSX-IEBWSBKVSA-N 2 1 329.444 1.716 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cn2cccn2)cc1 ZINC000264069155 535597501 /nfs/dbraw/zinc/59/75/01/535597501.db2.gz CQVZYZDNJHFCBT-SFHVURJKSA-N 2 1 340.475 1.820 20 30 EDEDMP C[NH+]1CC[C@@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)cc(C#N)c1[N+](=O)[O-] ZINC000895771664 591270079 /nfs/dbraw/zinc/27/00/79/591270079.db2.gz OFQNPPYSQBICGR-LSDHHAIUSA-N 2 1 344.419 1.698 20 30 EDEDMP C[NH+]1CC[C@H]1CNc1cc(C#N)c([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C)c1 ZINC000895771664 591270080 /nfs/dbraw/zinc/27/00/80/591270080.db2.gz OFQNPPYSQBICGR-LSDHHAIUSA-N 2 1 344.419 1.698 20 30 EDEDMP C[NH+]1CC[C@H]1CNc1cc(C#N)c([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2C)c1 ZINC000895771664 591270081 /nfs/dbraw/zinc/27/00/81/591270081.db2.gz OFQNPPYSQBICGR-LSDHHAIUSA-N 2 1 344.419 1.698 20 30 EDEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903819949 592333173 /nfs/dbraw/zinc/33/31/73/592333173.db2.gz RDEBUBDNKYMOFT-KRWDZBQOSA-N 2 1 345.443 1.142 20 30 EDEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903819949 592333179 /nfs/dbraw/zinc/33/31/79/592333179.db2.gz RDEBUBDNKYMOFT-KRWDZBQOSA-N 2 1 345.443 1.142 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000907570645 592715404 /nfs/dbraw/zinc/71/54/04/592715404.db2.gz LAZHLKJLSMXDIZ-GOSISDBHSA-N 2 1 330.476 1.870 20 30 EDEDMP N#Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000819063189 593736846 /nfs/dbraw/zinc/73/68/46/593736846.db2.gz WWKJUBZQKQZELT-RBUKOAKNSA-N 2 1 329.444 1.825 20 30 EDEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000834489539 595140908 /nfs/dbraw/zinc/14/09/08/595140908.db2.gz NQZXVDMEXRCTCN-UXHICEINSA-N 2 1 348.450 1.917 20 30 EDEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](O)c3cnc[nH]3)CC2)cc1 ZINC000864659137 596299803 /nfs/dbraw/zinc/29/98/03/596299803.db2.gz CMCLGTJHURYOTL-KRWDZBQOSA-N 2 1 339.399 1.049 20 30 EDEDMP C#CC[N@@H+](C)CCCNCc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000883131016 597660900 /nfs/dbraw/zinc/66/09/00/597660900.db2.gz BFFKNAQNDLZVDP-UHFFFAOYSA-N 2 1 329.853 1.032 20 30 EDEDMP CC#CCN1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000941594925 701587081 /nfs/dbraw/zinc/58/70/81/701587081.db2.gz CZAPUSVXGXQBRD-LJQANCHMSA-N 2 1 346.519 1.101 20 30 EDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996187472 702592545 /nfs/dbraw/zinc/59/25/45/702592545.db2.gz LXESUKOFWQHTFT-HUUCEWRRSA-N 2 1 343.899 1.675 20 30 EDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996187472 702592549 /nfs/dbraw/zinc/59/25/49/702592549.db2.gz LXESUKOFWQHTFT-HUUCEWRRSA-N 2 1 343.899 1.675 20 30 EDEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033091234 704165999 /nfs/dbraw/zinc/16/59/99/704165999.db2.gz KRYZPCYQHDVWAC-KURKYZTESA-N 2 1 335.492 1.452 20 30 EDEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942782 704795188 /nfs/dbraw/zinc/79/51/88/704795188.db2.gz DAQAUNVYBKKZMN-QFBILLFUSA-N 2 1 340.471 1.981 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccn2)C1 ZINC000998922113 706349825 /nfs/dbraw/zinc/34/98/25/706349825.db2.gz FXFUBPCDDXXMQS-ABHNRTSZSA-N 2 1 326.444 1.258 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccn2)C1 ZINC000998922113 706349827 /nfs/dbraw/zinc/34/98/27/706349827.db2.gz FXFUBPCDDXXMQS-ABHNRTSZSA-N 2 1 326.444 1.258 20 30 EDEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000999353927 706842630 /nfs/dbraw/zinc/84/26/30/706842630.db2.gz OKSQBWKTGCOYPD-CABCVRRESA-N 2 1 339.871 1.146 20 30 EDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731395 707268211 /nfs/dbraw/zinc/26/82/11/707268211.db2.gz OVXFZWFHKXYWLK-KSZLIROESA-N 2 1 335.492 1.452 20 30 EDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731395 707268215 /nfs/dbraw/zinc/26/82/15/707268215.db2.gz OVXFZWFHKXYWLK-KSZLIROESA-N 2 1 335.492 1.452 20 30 EDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731395 707268219 /nfs/dbraw/zinc/26/82/19/707268219.db2.gz OVXFZWFHKXYWLK-KSZLIROESA-N 2 1 335.492 1.452 20 30 EDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731395 707268224 /nfs/dbraw/zinc/26/82/24/707268224.db2.gz OVXFZWFHKXYWLK-KSZLIROESA-N 2 1 335.492 1.452 20 30 EDEDMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033580647 708261694 /nfs/dbraw/zinc/26/16/94/708261694.db2.gz GHVCKHPAWZTGTO-MOPGFXCFSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033580647 708261698 /nfs/dbraw/zinc/26/16/98/708261698.db2.gz GHVCKHPAWZTGTO-MOPGFXCFSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033580647 708261701 /nfs/dbraw/zinc/26/17/01/708261701.db2.gz GHVCKHPAWZTGTO-MOPGFXCFSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033582410 708265799 /nfs/dbraw/zinc/26/57/99/708265799.db2.gz PAFFZBSOZYJURK-GJZGRUSLSA-N 2 1 346.500 1.994 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033582410 708265801 /nfs/dbraw/zinc/26/58/01/708265801.db2.gz PAFFZBSOZYJURK-GJZGRUSLSA-N 2 1 346.500 1.994 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033582410 708265803 /nfs/dbraw/zinc/26/58/03/708265803.db2.gz PAFFZBSOZYJURK-GJZGRUSLSA-N 2 1 346.500 1.994 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033582410 708265804 /nfs/dbraw/zinc/26/58/04/708265804.db2.gz PAFFZBSOZYJURK-GJZGRUSLSA-N 2 1 346.500 1.994 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033661577 708474697 /nfs/dbraw/zinc/47/46/97/708474697.db2.gz LSKTWGUUDXMUQV-MSOLQXFVSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033661577 708474699 /nfs/dbraw/zinc/47/46/99/708474699.db2.gz LSKTWGUUDXMUQV-MSOLQXFVSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033661577 708474701 /nfs/dbraw/zinc/47/47/01/708474701.db2.gz LSKTWGUUDXMUQV-MSOLQXFVSA-N 2 1 326.444 1.543 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CN2CCc3sccc3C2)C1 ZINC001033685200 708498951 /nfs/dbraw/zinc/49/89/51/708498951.db2.gz PBKMAINUKURSBC-INIZCTEOSA-N 2 1 331.485 1.662 20 30 EDEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034003058 709241004 /nfs/dbraw/zinc/24/10/04/709241004.db2.gz FLXKBAOYPLZEOC-KRWDZBQOSA-N 2 1 325.416 1.990 20 30 EDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034003058 709241009 /nfs/dbraw/zinc/24/10/09/709241009.db2.gz FLXKBAOYPLZEOC-KRWDZBQOSA-N 2 1 325.416 1.990 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001003008463 709791851 /nfs/dbraw/zinc/79/18/51/709791851.db2.gz OHMKDRYMWJFQMG-SFHVURJKSA-N 2 1 335.492 1.787 20 30 EDEDMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003636986 710466747 /nfs/dbraw/zinc/46/67/47/710466747.db2.gz YYICDLLPPKHFHH-HNAYVOBHSA-N 2 1 340.471 1.837 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003636986 710466750 /nfs/dbraw/zinc/46/67/50/710466750.db2.gz YYICDLLPPKHFHH-HNAYVOBHSA-N 2 1 340.471 1.837 20 30 EDEDMP C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034792073 711118521 /nfs/dbraw/zinc/11/85/21/711118521.db2.gz DJNDTVMZLMISJV-IHRRRGAJSA-N 2 1 344.297 1.864 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC(=C)C)C[C@H]2CC1 ZINC000946628503 711976123 /nfs/dbraw/zinc/97/61/23/711976123.db2.gz UTPJTJRSZSUPHQ-OTWHNJEPSA-N 2 1 329.488 1.831 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=C)C)C[C@H]2CC1 ZINC000946628503 711976126 /nfs/dbraw/zinc/97/61/26/711976126.db2.gz UTPJTJRSZSUPHQ-OTWHNJEPSA-N 2 1 329.488 1.831 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=C)C)C[C@H]2CC1 ZINC000946628503 711976129 /nfs/dbraw/zinc/97/61/29/711976129.db2.gz UTPJTJRSZSUPHQ-OTWHNJEPSA-N 2 1 329.488 1.831 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC(=C)C)C[C@H]2CC1 ZINC000946628503 711976133 /nfs/dbraw/zinc/97/61/33/711976133.db2.gz UTPJTJRSZSUPHQ-OTWHNJEPSA-N 2 1 329.488 1.831 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004622033 712068573 /nfs/dbraw/zinc/06/85/73/712068573.db2.gz VTXDSXIWDLPIJA-RTBURBONSA-N 2 1 349.519 1.986 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004622033 712068578 /nfs/dbraw/zinc/06/85/78/712068578.db2.gz VTXDSXIWDLPIJA-RTBURBONSA-N 2 1 349.519 1.986 20 30 EDEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004622033 712068582 /nfs/dbraw/zinc/06/85/82/712068582.db2.gz VTXDSXIWDLPIJA-RTBURBONSA-N 2 1 349.519 1.986 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004622033 712068585 /nfs/dbraw/zinc/06/85/85/712068585.db2.gz VTXDSXIWDLPIJA-RTBURBONSA-N 2 1 349.519 1.986 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033160325 712256707 /nfs/dbraw/zinc/25/67/07/712256707.db2.gz DXDDTVKTLSBUDS-CVEARBPZSA-N 2 1 339.430 1.662 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001033160325 712256709 /nfs/dbraw/zinc/25/67/09/712256709.db2.gz DXDDTVKTLSBUDS-CVEARBPZSA-N 2 1 339.430 1.662 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033160325 712256711 /nfs/dbraw/zinc/25/67/11/712256711.db2.gz DXDDTVKTLSBUDS-CVEARBPZSA-N 2 1 339.430 1.662 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC001033160325 712256713 /nfs/dbraw/zinc/25/67/13/712256713.db2.gz DXDDTVKTLSBUDS-CVEARBPZSA-N 2 1 339.430 1.662 20 30 EDEDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123635289 138320172 /nfs/dbraw/zinc/32/01/72/138320172.db2.gz GMCZLRZKOAHUTL-UHFFFAOYSA-N 2 1 340.475 1.569 20 30 EDEDMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000246350105 139104951 /nfs/dbraw/zinc/10/49/51/139104951.db2.gz FXCKXXKPFOKTKA-FGTMMUONSA-N 2 1 329.444 1.857 20 30 EDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1)C(C)C ZINC000358664081 250141055 /nfs/dbraw/zinc/14/10/55/250141055.db2.gz PEYAGTNRWUIWAG-SJLPKXTDSA-N 2 1 338.496 1.051 20 30 EDEDMP COc1ccc(CNC(=[NH2+])NCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000104168283 533551169 /nfs/dbraw/zinc/55/11/69/533551169.db2.gz SHRZBRDDPHTVHJ-AWEZNQCLSA-N 2 1 334.464 1.840 20 30 EDEDMP C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372329091 156336219 /nfs/dbraw/zinc/33/62/19/156336219.db2.gz AQMRKNCKJVUECD-XLIONFOSSA-N 2 1 342.487 1.895 20 30 EDEDMP C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372329091 156336222 /nfs/dbraw/zinc/33/62/22/156336222.db2.gz AQMRKNCKJVUECD-XLIONFOSSA-N 2 1 342.487 1.895 20 30 EDEDMP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@H]1CC[N@@H+](C)C1 ZINC000080639139 441186460 /nfs/dbraw/zinc/18/64/60/441186460.db2.gz XBEOHRUGCDPYAX-CYBMUJFWSA-N 2 1 331.439 1.966 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000081355631 441257376 /nfs/dbraw/zinc/25/73/76/441257376.db2.gz VCFIGCBCWTZZSZ-SFHVURJKSA-N 2 1 328.460 1.813 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000081355631 441257381 /nfs/dbraw/zinc/25/73/81/441257381.db2.gz VCFIGCBCWTZZSZ-SFHVURJKSA-N 2 1 328.460 1.813 20 30 EDEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)Cc1ccc(Cl)cc1 ZINC000088751385 441519110 /nfs/dbraw/zinc/51/91/10/441519110.db2.gz ZLNWYKJMEWGUAX-INIZCTEOSA-N 2 1 337.899 1.593 20 30 EDEDMP CCN(CCCNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264113793 443249302 /nfs/dbraw/zinc/24/93/02/443249302.db2.gz PHUAYLZPQVRCAU-UHFFFAOYSA-N 2 1 347.507 1.530 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccc(F)c1)N(C)C ZINC000264137716 443253016 /nfs/dbraw/zinc/25/30/16/443253016.db2.gz VTCWJVMKIZQWRM-DLBZAZTESA-N 2 1 335.471 1.817 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000288289391 443833147 /nfs/dbraw/zinc/83/31/47/443833147.db2.gz HNWNMVCVPGXEMC-UHFFFAOYSA-N 2 1 325.456 1.674 20 30 EDEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000565655465 321195596 /nfs/dbraw/zinc/19/55/96/321195596.db2.gz SEDPVEKGXQNBLQ-DAWZGUTISA-N 2 1 329.444 1.904 20 30 EDEDMP C#CC[N@H+](C)CCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000294896692 444155704 /nfs/dbraw/zinc/15/57/04/444155704.db2.gz FIIPWEGOMKEQEU-QGZVFWFLSA-N 2 1 341.415 1.962 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)Nc2ccccc21 ZINC000304807937 444253281 /nfs/dbraw/zinc/25/32/81/444253281.db2.gz UEWRBOJYYAVKGR-KBPBESRZSA-N 2 1 329.448 1.501 20 30 EDEDMP CCOC(=O)N[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)CC(C)C ZINC000303888303 444237570 /nfs/dbraw/zinc/23/75/70/444237570.db2.gz OWAPZCKJUKSDKF-GJZGRUSLSA-N 2 1 341.500 1.536 20 30 EDEDMP CN(C(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000305840138 444282886 /nfs/dbraw/zinc/28/28/86/444282886.db2.gz YSHMRKJNKPFACV-UHFFFAOYSA-N 2 1 339.484 1.338 20 30 EDEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(C#N)ncn1 ZINC000579309200 321915076 /nfs/dbraw/zinc/91/50/76/321915076.db2.gz CTRDSXQUPKVWNV-UHFFFAOYSA-N 2 1 342.491 1.981 20 30 EDEDMP CC[C@@]1(CO)CCC[N@@H+](CC#CC[NH+]2CCC[C@](CC)(CO)C2)C1 ZINC000342150652 444535829 /nfs/dbraw/zinc/53/58/29/444535829.db2.gz AVSMKLFSTLUBGJ-BGYRXZFFSA-N 2 1 336.520 1.959 20 30 EDEDMP CC[C@@]1(CO)CCC[NH+](CC#CC[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000342150652 444535834 /nfs/dbraw/zinc/53/58/34/444535834.db2.gz AVSMKLFSTLUBGJ-BGYRXZFFSA-N 2 1 336.520 1.959 20 30 EDEDMP CC[C@@]1(CO)CCC[NH+](CC#CC[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000342150652 444535839 /nfs/dbraw/zinc/53/58/39/444535839.db2.gz AVSMKLFSTLUBGJ-BGYRXZFFSA-N 2 1 336.520 1.959 20 30 EDEDMP COCC[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000330849379 445165247 /nfs/dbraw/zinc/16/52/47/445165247.db2.gz PYDGTIXKFHVEBI-OAHLLOKOSA-N 2 1 326.485 1.474 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000361019607 445745221 /nfs/dbraw/zinc/74/52/21/445745221.db2.gz VGNNRGDSWOTRJE-QGZVFWFLSA-N 2 1 349.523 1.105 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000361019607 445745224 /nfs/dbraw/zinc/74/52/24/445745224.db2.gz VGNNRGDSWOTRJE-QGZVFWFLSA-N 2 1 349.523 1.105 20 30 EDEDMP CC[NH+](C)C[C@H]1CCN(CC#CCN2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000351417022 446062731 /nfs/dbraw/zinc/06/27/31/446062731.db2.gz QFDRLDMIDMYNLW-WOJBJXKFSA-N 2 1 334.552 1.537 20 30 EDEDMP C[NH+]1CC[C@@H]2CCN(CC#CCN3CC[C@@H]4CC[N@H+](C)[C@H]4C3)C[C@@H]21 ZINC000367458762 446547564 /nfs/dbraw/zinc/54/75/64/446547564.db2.gz OCPCYKNIJUAQPQ-YRPNKDGESA-N 2 1 330.520 1.042 20 30 EDEDMP C[NH+]1CC[C@H]2CCN(CC#CCN3CC[C@H]4CC[N@H+](C)[C@H]4C3)C[C@@H]21 ZINC000367458762 446547570 /nfs/dbraw/zinc/54/75/70/446547570.db2.gz OCPCYKNIJUAQPQ-YRPNKDGESA-N 2 1 330.520 1.042 20 30 EDEDMP C[NH+]1CC[C@H]2CCN(CC#CCN3CC[C@H]4CC[N@@H+](C)[C@H]4C3)C[C@@H]21 ZINC000367458762 446547573 /nfs/dbraw/zinc/54/75/73/446547573.db2.gz OCPCYKNIJUAQPQ-YRPNKDGESA-N 2 1 330.520 1.042 20 30 EDEDMP C(#CC[N@H+]1CC[C@]2(C1)CCCOC2)C[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000375290817 446697723 /nfs/dbraw/zinc/69/77/23/446697723.db2.gz CRSCQCXXDGSZJI-BGYRXZFFSA-N 2 1 332.488 1.995 20 30 EDEDMP C(#CC[N@@H+]1CC[C@@]2(C1)CCCOC2)C[NH+]1CC[C@]2(C1)CCCOC2 ZINC000375290817 446697729 /nfs/dbraw/zinc/69/77/29/446697729.db2.gz CRSCQCXXDGSZJI-BGYRXZFFSA-N 2 1 332.488 1.995 20 30 EDEDMP C(#CC[N@H+]1CC[C@@]2(C1)CCCOC2)C[NH+]1CC[C@]2(C1)CCCOC2 ZINC000375290817 446697737 /nfs/dbraw/zinc/69/77/37/446697737.db2.gz CRSCQCXXDGSZJI-BGYRXZFFSA-N 2 1 332.488 1.995 20 30 EDEDMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)c1 ZINC000377492870 447163189 /nfs/dbraw/zinc/16/31/89/447163189.db2.gz XLUWKQOUIFZJFX-JKSUJKDBSA-N 2 1 329.448 1.884 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(C#N)CCC1 ZINC000419624967 447304254 /nfs/dbraw/zinc/30/42/54/447304254.db2.gz KWRQGPSZVIQVSI-MRXNPFEDSA-N 2 1 335.496 1.738 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000519538709 448780501 /nfs/dbraw/zinc/78/05/01/448780501.db2.gz IZLIKDHJSQQVBR-NUJGCVRESA-N 2 1 325.497 1.087 20 30 EDEDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000575377311 449087230 /nfs/dbraw/zinc/08/72/30/449087230.db2.gz KYVBPEVFVXCTGX-ROUUACIJSA-N 2 1 331.460 1.865 20 30 EDEDMP Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1C#N ZINC000600710281 449510089 /nfs/dbraw/zinc/51/00/89/449510089.db2.gz RBZLWZPNBIFWOK-HKUYNNGSSA-N 2 1 340.471 1.947 20 30 EDEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003756 528622553 /nfs/dbraw/zinc/62/25/53/528622553.db2.gz SQKCJGZZYXCAMB-JKSUJKDBSA-N 2 1 331.464 1.683 20 30 EDEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003756 528622565 /nfs/dbraw/zinc/62/25/65/528622565.db2.gz SQKCJGZZYXCAMB-JKSUJKDBSA-N 2 1 331.464 1.683 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000730099021 578614427 /nfs/dbraw/zinc/61/44/27/578614427.db2.gz WYXPCIYYYCLDEZ-SFHVURJKSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000730099021 578614429 /nfs/dbraw/zinc/61/44/29/578614429.db2.gz WYXPCIYYYCLDEZ-SFHVURJKSA-N 2 1 333.476 1.045 20 30 EDEDMP C[C@H](C#N)OCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000796381779 580952696 /nfs/dbraw/zinc/95/26/96/580952696.db2.gz GBINCRGCRGIFGS-QUCCMNQESA-N 2 1 342.487 1.807 20 30 EDEDMP C[C@H](C#N)OCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000796381779 580952697 /nfs/dbraw/zinc/95/26/97/580952697.db2.gz GBINCRGCRGIFGS-QUCCMNQESA-N 2 1 342.487 1.807 20 30 EDEDMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000848410131 595375160 /nfs/dbraw/zinc/37/51/60/595375160.db2.gz JYDIUKLGOZDNSV-OAHLLOKOSA-N 2 1 326.404 1.603 20 30 EDEDMP C#CCN1CCN(C(=O)CN2Cc3ccccc3N(C)C[C@@H]2C)CC1 ZINC000857566244 595552051 /nfs/dbraw/zinc/55/20/51/595552051.db2.gz YJXZPOSWPDCKRS-KRWDZBQOSA-N 2 1 340.471 1.104 20 30 EDEDMP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876723259 597306556 /nfs/dbraw/zinc/30/65/56/597306556.db2.gz QWVSRQPHOVLARL-KSSFIOAISA-N 2 1 326.444 1.593 20 30 EDEDMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876723259 597306560 /nfs/dbraw/zinc/30/65/60/597306560.db2.gz QWVSRQPHOVLARL-KSSFIOAISA-N 2 1 326.444 1.593 20 30 EDEDMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876723157 597306993 /nfs/dbraw/zinc/30/69/93/597306993.db2.gz OJZQEXBCQYTYIG-RDTXWAMCSA-N 2 1 326.444 1.736 20 30 EDEDMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876723157 597306997 /nfs/dbraw/zinc/30/69/97/597306997.db2.gz OJZQEXBCQYTYIG-RDTXWAMCSA-N 2 1 326.444 1.736 20 30 EDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000876773504 597334247 /nfs/dbraw/zinc/33/42/47/597334247.db2.gz SPYHDICAMNHVKJ-ZIAGYGMSSA-N 2 1 329.872 1.606 20 30 EDEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC000992743321 695263625 /nfs/dbraw/zinc/26/36/25/695263625.db2.gz SDWGQYNSZLKDOB-CWRNSKLLSA-N 2 1 330.432 1.200 20 30 EDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993826554 696395519 /nfs/dbraw/zinc/39/55/19/696395519.db2.gz QVILDBJPLIVAEP-WBVHZDCISA-N 2 1 344.459 1.876 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993826554 696395522 /nfs/dbraw/zinc/39/55/22/696395522.db2.gz QVILDBJPLIVAEP-WBVHZDCISA-N 2 1 344.459 1.876 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993979921 696480174 /nfs/dbraw/zinc/48/01/74/696480174.db2.gz APTORUZXEMQMQQ-DOTOQJQBSA-N 2 1 333.480 1.604 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCOCC2)C1 ZINC001031740647 698311497 /nfs/dbraw/zinc/31/14/97/698311497.db2.gz HQRJARJTGLZERZ-IBGZPJMESA-N 2 1 347.503 1.339 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCOCC2)C1 ZINC001031740647 698311499 /nfs/dbraw/zinc/31/14/99/698311499.db2.gz HQRJARJTGLZERZ-IBGZPJMESA-N 2 1 347.503 1.339 20 30 EDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973502 701015625 /nfs/dbraw/zinc/01/56/25/701015625.db2.gz WFGROGHWFFQBTQ-IRXDYDNUSA-N 2 1 335.492 1.336 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973502 701015627 /nfs/dbraw/zinc/01/56/27/701015627.db2.gz WFGROGHWFFQBTQ-IRXDYDNUSA-N 2 1 335.492 1.336 20 30 EDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973502 701015629 /nfs/dbraw/zinc/01/56/29/701015629.db2.gz WFGROGHWFFQBTQ-IRXDYDNUSA-N 2 1 335.492 1.336 20 30 EDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973502 701015631 /nfs/dbraw/zinc/01/56/31/701015631.db2.gz WFGROGHWFFQBTQ-IRXDYDNUSA-N 2 1 335.492 1.336 20 30 EDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940985709 701039898 /nfs/dbraw/zinc/03/98/98/701039898.db2.gz BPFCOUPQXJRIQD-AEFFLSMTSA-N 2 1 342.487 1.994 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940985709 701039899 /nfs/dbraw/zinc/03/98/99/701039899.db2.gz BPFCOUPQXJRIQD-AEFFLSMTSA-N 2 1 342.487 1.994 20 30 EDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032952 701075267 /nfs/dbraw/zinc/07/52/67/701075267.db2.gz KDSYUNYXEBFBOB-FUHWJXTLSA-N 2 1 342.487 1.994 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032952 701075270 /nfs/dbraw/zinc/07/52/70/701075270.db2.gz KDSYUNYXEBFBOB-FUHWJXTLSA-N 2 1 342.487 1.994 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cncc(C)c3)C2)CC1 ZINC001032204827 702002819 /nfs/dbraw/zinc/00/28/19/702002819.db2.gz GONKUHDRSLRBFC-UHFFFAOYSA-N 2 1 340.471 1.283 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2scnc2C)CC1 ZINC000996684086 702981887 /nfs/dbraw/zinc/98/18/87/702981887.db2.gz FZCQIVMIMCSYCB-INIZCTEOSA-N 2 1 346.500 1.630 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2scnc2C)CC1 ZINC000996684086 702981890 /nfs/dbraw/zinc/98/18/90/702981890.db2.gz FZCQIVMIMCSYCB-INIZCTEOSA-N 2 1 346.500 1.630 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942520531 703022550 /nfs/dbraw/zinc/02/25/50/703022550.db2.gz HDBBIKHTXSLVGP-CVEARBPZSA-N 2 1 328.460 1.612 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942520531 703022552 /nfs/dbraw/zinc/02/25/52/703022552.db2.gz HDBBIKHTXSLVGP-CVEARBPZSA-N 2 1 328.460 1.612 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@H](CC)OC)CC1 ZINC000997146542 703404954 /nfs/dbraw/zinc/40/49/54/703404954.db2.gz CIOPNRAQTGPQOD-NEWSRXKRSA-N 2 1 349.519 1.726 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@H](CC)OC)CC1 ZINC000997146542 703404956 /nfs/dbraw/zinc/40/49/56/703404956.db2.gz CIOPNRAQTGPQOD-NEWSRXKRSA-N 2 1 349.519 1.726 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)C1 ZINC000997298892 703556709 /nfs/dbraw/zinc/55/67/09/703556709.db2.gz KTUFZDOMSRXDEV-ZDUSSCGKSA-N 2 1 332.473 1.652 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000997306720 703565204 /nfs/dbraw/zinc/56/52/04/703565204.db2.gz JLBKHNVJFUEXIA-UHFFFAOYSA-N 2 1 337.427 1.844 20 30 EDEDMP CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC001033083638 704142238 /nfs/dbraw/zinc/14/22/38/704142238.db2.gz CBTZYYWJAMGWJW-KZNAEPCWSA-N 2 1 340.471 1.710 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004378520 704354369 /nfs/dbraw/zinc/35/43/69/704354369.db2.gz GSPATLKHITUWQN-ROUUACIJSA-N 2 1 335.492 1.596 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004378520 704354371 /nfs/dbraw/zinc/35/43/71/704354371.db2.gz GSPATLKHITUWQN-ROUUACIJSA-N 2 1 335.492 1.596 20 30 EDEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004378520 704354372 /nfs/dbraw/zinc/35/43/72/704354372.db2.gz GSPATLKHITUWQN-ROUUACIJSA-N 2 1 335.492 1.596 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004378520 704354374 /nfs/dbraw/zinc/35/43/74/704354374.db2.gz GSPATLKHITUWQN-ROUUACIJSA-N 2 1 335.492 1.596 20 30 EDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997691248 704563891 /nfs/dbraw/zinc/56/38/91/704563891.db2.gz IZEGCZUQBDBXCR-GBJJWRMUSA-N 2 1 345.487 1.090 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cc(C)no2)CC1 ZINC000997832889 704752621 /nfs/dbraw/zinc/75/26/21/704752621.db2.gz ZIIWNANCRXRSNN-SFHVURJKSA-N 2 1 344.459 1.409 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cc(C)no2)CC1 ZINC000997832889 704752623 /nfs/dbraw/zinc/75/26/23/704752623.db2.gz ZIIWNANCRXRSNN-SFHVURJKSA-N 2 1 344.459 1.409 20 30 EDEDMP C=C(C)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998190667 705498317 /nfs/dbraw/zinc/49/83/17/705498317.db2.gz RKNAJGFLPAENCR-ZWKOTPCHSA-N 2 1 337.508 1.986 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998190667 705498319 /nfs/dbraw/zinc/49/83/19/705498319.db2.gz RKNAJGFLPAENCR-ZWKOTPCHSA-N 2 1 337.508 1.986 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000998190667 705498320 /nfs/dbraw/zinc/49/83/20/705498320.db2.gz RKNAJGFLPAENCR-ZWKOTPCHSA-N 2 1 337.508 1.986 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998190667 705498321 /nfs/dbraw/zinc/49/83/21/705498321.db2.gz RKNAJGFLPAENCR-ZWKOTPCHSA-N 2 1 337.508 1.986 20 30 EDEDMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033580650 708261885 /nfs/dbraw/zinc/26/18/85/708261885.db2.gz GHVCKHPAWZTGTO-RTBURBONSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033580650 708261887 /nfs/dbraw/zinc/26/18/87/708261887.db2.gz GHVCKHPAWZTGTO-RTBURBONSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033580650 708261889 /nfs/dbraw/zinc/26/18/89/708261889.db2.gz GHVCKHPAWZTGTO-RTBURBONSA-N 2 1 340.471 1.933 20 30 EDEDMP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001002481358 709031792 /nfs/dbraw/zinc/03/17/92/709031792.db2.gz QTENKYWXEPSXSE-MRXNPFEDSA-N 2 1 332.473 1.795 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001002481358 709031796 /nfs/dbraw/zinc/03/17/96/709031796.db2.gz QTENKYWXEPSXSE-MRXNPFEDSA-N 2 1 332.473 1.795 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001003009437 709795071 /nfs/dbraw/zinc/79/50/71/709795071.db2.gz WQPXNPBNLRJLTI-GOSISDBHSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001003054858 709891819 /nfs/dbraw/zinc/89/18/19/709891819.db2.gz BKGRLXPSGWAVLV-WMZOPIPTSA-N 2 1 333.476 1.091 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001003054858 709891820 /nfs/dbraw/zinc/89/18/20/709891820.db2.gz BKGRLXPSGWAVLV-WMZOPIPTSA-N 2 1 333.476 1.091 20 30 EDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468337 710047281 /nfs/dbraw/zinc/04/72/81/710047281.db2.gz QZTCCRHOEJSLOG-QGZVFWFLSA-N 2 1 337.427 1.875 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468337 710047284 /nfs/dbraw/zinc/04/72/84/710047284.db2.gz QZTCCRHOEJSLOG-QGZVFWFLSA-N 2 1 337.427 1.875 20 30 EDEDMP C#CCN(C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000922255638 710527248 /nfs/dbraw/zinc/52/72/48/710527248.db2.gz VVKGZPNRMBXOSG-QGZVFWFLSA-N 2 1 334.508 1.846 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001034715616 710853185 /nfs/dbraw/zinc/85/31/85/710853185.db2.gz SSJZJOSLVGKXMF-BZUAXINKSA-N 2 1 343.899 1.865 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001034715616 710853189 /nfs/dbraw/zinc/85/31/89/710853189.db2.gz SSJZJOSLVGKXMF-BZUAXINKSA-N 2 1 343.899 1.865 20 30 EDEDMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC001004146687 711557712 /nfs/dbraw/zinc/55/77/12/711557712.db2.gz ZVQISAICUGZROV-GOSISDBHSA-N 2 1 325.456 1.570 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC001004146687 711557713 /nfs/dbraw/zinc/55/77/13/711557713.db2.gz ZVQISAICUGZROV-GOSISDBHSA-N 2 1 325.456 1.570 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)COC)C[C@H]2CC1 ZINC000946628447 711975792 /nfs/dbraw/zinc/97/57/92/711975792.db2.gz QRLAYBZHJRBTQD-YRXWBPOGSA-N 2 1 347.503 1.289 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+]([C@H](C)COC)C[C@H]2CC1 ZINC000946628447 711975794 /nfs/dbraw/zinc/97/57/94/711975794.db2.gz QRLAYBZHJRBTQD-YRXWBPOGSA-N 2 1 347.503 1.289 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)COC)C[C@H]2CC1 ZINC000946628447 711975796 /nfs/dbraw/zinc/97/57/96/711975796.db2.gz QRLAYBZHJRBTQD-YRXWBPOGSA-N 2 1 347.503 1.289 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+]([C@H](C)COC)C[C@H]2CC1 ZINC000946628447 711975798 /nfs/dbraw/zinc/97/57/98/711975798.db2.gz QRLAYBZHJRBTQD-YRXWBPOGSA-N 2 1 347.503 1.289 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+]([C@H](C)COC)C[C@H]2CC1 ZINC000946628447 711975799 /nfs/dbraw/zinc/97/57/99/711975799.db2.gz QRLAYBZHJRBTQD-YRXWBPOGSA-N 2 1 347.503 1.289 20 30 EDEDMP CC[N@@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000073705445 138220701 /nfs/dbraw/zinc/22/07/01/138220701.db2.gz SNTPODLDOTXQOH-SFHVURJKSA-N 2 1 344.459 1.169 20 30 EDEDMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000073705445 138220702 /nfs/dbraw/zinc/22/07/02/138220702.db2.gz SNTPODLDOTXQOH-SFHVURJKSA-N 2 1 344.459 1.169 20 30 EDEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347016955 250052040 /nfs/dbraw/zinc/05/20/40/250052040.db2.gz ZUVYPCQGPJQXQN-SFHVURJKSA-N 2 1 343.471 1.895 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496478872 255396956 /nfs/dbraw/zinc/39/69/56/255396956.db2.gz JILWPSIRUFKOSX-QGZVFWFLSA-N 2 1 327.469 1.502 20 30 EDEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000264286487 139393624 /nfs/dbraw/zinc/39/36/24/139393624.db2.gz KUPUKKXHNXMSFR-HNNXBMFYSA-N 2 1 344.459 1.521 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)oc1C ZINC000280754913 266145886 /nfs/dbraw/zinc/14/58/86/266145886.db2.gz MSYBVFVLPCWXPP-OAHLLOKOSA-N 2 1 332.448 1.948 20 30 EDEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289483924 267138178 /nfs/dbraw/zinc/13/81/78/267138178.db2.gz SAOAXYQFSLGNQS-MRXNPFEDSA-N 2 1 345.491 1.701 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425841222 447331991 /nfs/dbraw/zinc/33/19/91/447331991.db2.gz HVJBJOSBLHDCFH-BBWFWOEESA-N 2 1 335.496 1.736 20 30 EDEDMP C[NH+]=C(NCc1nccn1C(F)F)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000158407034 441734143 /nfs/dbraw/zinc/73/41/43/441734143.db2.gz JPKKJGOGFSGKRH-NEPJUHHUSA-N 2 1 328.411 1.672 20 30 EDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000119396140 441931993 /nfs/dbraw/zinc/93/19/93/441931993.db2.gz NKLHGTHGRJFDNQ-QGZVFWFLSA-N 2 1 328.416 1.825 20 30 EDEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000119396140 441931996 /nfs/dbraw/zinc/93/19/96/441931996.db2.gz NKLHGTHGRJFDNQ-QGZVFWFLSA-N 2 1 328.416 1.825 20 30 EDEDMP COc1ccccc1CNC(=[NH2+])NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000170909994 442287192 /nfs/dbraw/zinc/28/71/92/442287192.db2.gz ITUPKWKIRWZTFX-GASCZTMLSA-N 2 1 334.464 1.599 20 30 EDEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129135522 442302832 /nfs/dbraw/zinc/30/28/32/442302832.db2.gz BEOWEWQGPAFRGI-CQSZACIVSA-N 2 1 348.472 1.602 20 30 EDEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CC[C@H](COC)C1 ZINC000262472939 443196141 /nfs/dbraw/zinc/19/61/41/443196141.db2.gz PIRNONYVRCQELR-INIZCTEOSA-N 2 1 342.447 1.619 20 30 EDEDMP CC(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Nc1ccccc1 ZINC000264113936 443249987 /nfs/dbraw/zinc/24/99/87/443249987.db2.gz PLFKXMZCXFIQCL-SFHVURJKSA-N 2 1 347.507 1.750 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000299005849 443926591 /nfs/dbraw/zinc/92/65/91/443926591.db2.gz AYATZJGRHQSVDK-UHFFFAOYSA-N 2 1 339.483 1.984 20 30 EDEDMP C#CC[N@@H+](C)CCCN[C@H](CN1CCOCC1)c1ccccc1C ZINC000294896541 444156036 /nfs/dbraw/zinc/15/60/36/444156036.db2.gz FHCUBNRVNXEOFX-HXUWFJFHSA-N 2 1 329.488 1.913 20 30 EDEDMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)NC1CCN(c2ccccn2)CC1 ZINC000329293502 444523726 /nfs/dbraw/zinc/52/37/26/444523726.db2.gz JHQGRHNEZXOVCD-OAHLLOKOSA-N 2 1 329.448 1.791 20 30 EDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC000330302264 444929477 /nfs/dbraw/zinc/92/94/77/444929477.db2.gz OFPJYQXTAFDRBJ-QGZVFWFLSA-N 2 1 332.448 1.976 20 30 EDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC000330302264 444929480 /nfs/dbraw/zinc/92/94/80/444929480.db2.gz OFPJYQXTAFDRBJ-QGZVFWFLSA-N 2 1 332.448 1.976 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H]2C[C@@H](OC)C[N@@H+]2C)CC1 ZINC000347087319 445231456 /nfs/dbraw/zinc/23/14/56/445231456.db2.gz GMFPDDKOXWTMDB-IAGOWNOFSA-N 2 1 338.496 1.387 20 30 EDEDMP CC(C)[NH+]1CC[C@@H](N(C)CC#CCN(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000452111989 447816995 /nfs/dbraw/zinc/81/69/95/447816995.db2.gz DNVOXNCYJIARTR-WOJBJXKFSA-N 2 1 334.552 1.819 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000491372582 448006849 /nfs/dbraw/zinc/00/68/49/448006849.db2.gz JYIQBIKPYIIEOM-UHFFFAOYSA-N 2 1 334.508 1.895 20 30 EDEDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000576389724 448042938 /nfs/dbraw/zinc/04/29/38/448042938.db2.gz AAPAMYCUXIGWRA-YZGWKJHDSA-N 2 1 344.503 1.835 20 30 EDEDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000576389724 448042944 /nfs/dbraw/zinc/04/29/44/448042944.db2.gz AAPAMYCUXIGWRA-YZGWKJHDSA-N 2 1 344.503 1.835 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(C#N)c1 ZINC000531392672 448076243 /nfs/dbraw/zinc/07/62/43/448076243.db2.gz KTQNKPSGRGLNGK-LJQANCHMSA-N 2 1 342.487 1.975 20 30 EDEDMP C(#CC[N@@H+]1CCOC[C@H]1C1CCC1)CN1CCOC[C@H]1C1CCC1 ZINC000517140307 448542850 /nfs/dbraw/zinc/54/28/50/448542850.db2.gz NGFYXSWKMBJWSN-PMACEKPBSA-N 2 1 332.488 1.992 20 30 EDEDMP C(#CC[N@H+]1CCOC[C@H]1C1CCC1)CN1CCOC[C@H]1C1CCC1 ZINC000517140307 448542851 /nfs/dbraw/zinc/54/28/51/448542851.db2.gz NGFYXSWKMBJWSN-PMACEKPBSA-N 2 1 332.488 1.992 20 30 EDEDMP OC1([C@H]2CCCC[N@H+]2CC#CC[NH+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000568601529 448893772 /nfs/dbraw/zinc/89/37/72/448893772.db2.gz YWJMYJJKUNQQQY-HDICACEKSA-N 2 1 332.488 1.749 20 30 EDEDMP OC1([C@H]2CCCC[NH+]2CC#CC[N@@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000568601529 448893777 /nfs/dbraw/zinc/89/37/77/448893777.db2.gz YWJMYJJKUNQQQY-HDICACEKSA-N 2 1 332.488 1.749 20 30 EDEDMP OC1([C@H]2CCCC[NH+]2CC#CC[N@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000568601529 448893785 /nfs/dbraw/zinc/89/37/85/448893785.db2.gz YWJMYJJKUNQQQY-HDICACEKSA-N 2 1 332.488 1.749 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C#N)n1 ZINC000589366236 449010940 /nfs/dbraw/zinc/01/09/40/449010940.db2.gz SJADSIOTJRLNKN-MRXNPFEDSA-N 2 1 329.448 1.441 20 30 EDEDMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000595949224 449275581 /nfs/dbraw/zinc/27/55/81/449275581.db2.gz YMHJDYWVOTWMJH-ROUUACIJSA-N 2 1 328.460 1.783 20 30 EDEDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600728871 449520460 /nfs/dbraw/zinc/52/04/60/449520460.db2.gz CAIFXTGDQPXOSQ-FUHWJXTLSA-N 2 1 331.460 1.865 20 30 EDEDMP C=CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(C)(C)C ZINC000661754802 452555206 /nfs/dbraw/zinc/55/52/06/452555206.db2.gz BOHADLLGABXIRD-MRXNPFEDSA-N 2 1 325.497 1.746 20 30 EDEDMP C=CC[C@]1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000662900402 453594590 /nfs/dbraw/zinc/59/45/90/453594590.db2.gz LLXWXNXOJJJLAB-IEBWSBKVSA-N 2 1 334.508 1.312 20 30 EDEDMP C=CC[C@]1(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000662900402 453594593 /nfs/dbraw/zinc/59/45/93/453594593.db2.gz LLXWXNXOJJJLAB-IEBWSBKVSA-N 2 1 334.508 1.312 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000730104417 578614887 /nfs/dbraw/zinc/61/48/87/578614887.db2.gz TZFAZBJRVAZQLW-IBGZPJMESA-N 2 1 325.456 1.996 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000730104417 578614889 /nfs/dbraw/zinc/61/48/89/578614889.db2.gz TZFAZBJRVAZQLW-IBGZPJMESA-N 2 1 325.456 1.996 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000907287203 592585130 /nfs/dbraw/zinc/58/51/30/592585130.db2.gz HCIFCONJYNYLQP-IBGZPJMESA-N 2 1 345.487 1.767 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C#Cc1cccs1 ZINC000825567713 594201610 /nfs/dbraw/zinc/20/16/10/594201610.db2.gz DMPNAWPCNPEXOK-INIZCTEOSA-N 2 1 333.501 1.974 20 30 EDEDMP C[C@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000852869568 595589359 /nfs/dbraw/zinc/58/93/59/595589359.db2.gz HLTBRYAGTQFHRW-QFBILLFUSA-N 2 1 325.456 1.769 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000855527898 595747884 /nfs/dbraw/zinc/74/78/84/595747884.db2.gz SQXWXGKLIUMGKN-IBGZPJMESA-N 2 1 340.471 1.507 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000855527898 595747887 /nfs/dbraw/zinc/74/78/87/595747887.db2.gz SQXWXGKLIUMGKN-IBGZPJMESA-N 2 1 340.471 1.507 20 30 EDEDMP N#Cc1cccc(C2([NH2+]C[C@H](O)C[NH+]3CCCC3)CCOCC2)c1 ZINC000852562592 596198437 /nfs/dbraw/zinc/19/84/37/596198437.db2.gz CDPMCWTZGIWUAW-SFHVURJKSA-N 2 1 329.444 1.610 20 30 EDEDMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876970056 597401496 /nfs/dbraw/zinc/40/14/96/597401496.db2.gz HTFXGNIXVSEJHJ-HNAYVOBHSA-N 2 1 340.471 1.982 20 30 EDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993980972 696480369 /nfs/dbraw/zinc/48/03/69/696480369.db2.gz CJDQAMJGKSPWFH-SJLPKXTDSA-N 2 1 347.507 1.994 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943773092 698850713 /nfs/dbraw/zinc/85/07/13/698850713.db2.gz YCIPLWCDLIPOKU-YJBOKZPZSA-N 2 1 337.427 1.731 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943773092 698850718 /nfs/dbraw/zinc/85/07/18/698850718.db2.gz YCIPLWCDLIPOKU-YJBOKZPZSA-N 2 1 337.427 1.731 20 30 EDEDMP C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996610076 702921049 /nfs/dbraw/zinc/92/10/49/702921049.db2.gz YCCRPYZVDDQCEN-TZMCWYRMSA-N 2 1 344.297 1.816 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000997008462 703266532 /nfs/dbraw/zinc/26/65/32/703266532.db2.gz MMNOQISOKLZLKT-DNVCBOLYSA-N 2 1 340.471 1.837 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000997297283 703555616 /nfs/dbraw/zinc/55/56/16/703555616.db2.gz DZUDFAYIHLQWJC-QGZVFWFLSA-N 2 1 326.444 1.591 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1 ZINC000995550092 703929560 /nfs/dbraw/zinc/92/95/60/703929560.db2.gz HUPOQAPXUPZEAK-QZTJIDSGSA-N 2 1 340.471 1.979 20 30 EDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001004459325 704452921 /nfs/dbraw/zinc/45/29/21/704452921.db2.gz SORKAWWCUIXGBO-MOPGFXCFSA-N 2 1 327.472 1.420 20 30 EDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001004459325 704452922 /nfs/dbraw/zinc/45/29/22/704452922.db2.gz SORKAWWCUIXGBO-MOPGFXCFSA-N 2 1 327.472 1.420 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#C)CC1 ZINC001004459325 704452923 /nfs/dbraw/zinc/45/29/23/704452923.db2.gz SORKAWWCUIXGBO-MOPGFXCFSA-N 2 1 327.472 1.420 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#C)CC1 ZINC001004459325 704452924 /nfs/dbraw/zinc/45/29/24/704452924.db2.gz SORKAWWCUIXGBO-MOPGFXCFSA-N 2 1 327.472 1.420 20 30 EDEDMP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998101813 705344004 /nfs/dbraw/zinc/34/40/04/705344004.db2.gz KFZNABGMOXEUME-ZWKOTPCHSA-N 2 1 337.508 1.985 20 30 EDEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998101813 705344010 /nfs/dbraw/zinc/34/40/10/705344010.db2.gz KFZNABGMOXEUME-ZWKOTPCHSA-N 2 1 337.508 1.985 20 30 EDEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000998101813 705344011 /nfs/dbraw/zinc/34/40/11/705344011.db2.gz KFZNABGMOXEUME-ZWKOTPCHSA-N 2 1 337.508 1.985 20 30 EDEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000998101813 705344016 /nfs/dbraw/zinc/34/40/16/705344016.db2.gz KFZNABGMOXEUME-ZWKOTPCHSA-N 2 1 337.508 1.985 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000999390735 706903746 /nfs/dbraw/zinc/90/37/46/706903746.db2.gz HGAJAGITRFUBIS-MOPGFXCFSA-N 2 1 325.456 1.865 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000999390735 706903748 /nfs/dbraw/zinc/90/37/48/706903748.db2.gz HGAJAGITRFUBIS-MOPGFXCFSA-N 2 1 325.456 1.865 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999964188 707629596 /nfs/dbraw/zinc/62/95/96/707629596.db2.gz VXIYXAFDCZJNRE-DLBZAZTESA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999964188 707629598 /nfs/dbraw/zinc/62/95/98/707629598.db2.gz VXIYXAFDCZJNRE-DLBZAZTESA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999964188 707629603 /nfs/dbraw/zinc/62/96/03/707629603.db2.gz VXIYXAFDCZJNRE-DLBZAZTESA-N 2 1 346.479 1.202 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(C)C2)CC1 ZINC001032800664 708083512 /nfs/dbraw/zinc/08/35/12/708083512.db2.gz TWIXCHRQKLJIQL-VHZYLWGESA-N 2 1 329.488 1.663 20 30 EDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001005427679 708983081 /nfs/dbraw/zinc/98/30/81/708983081.db2.gz YIBHBCDQFQCKEH-MSOLQXFVSA-N 2 1 335.492 1.739 20 30 EDEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034321127 709771251 /nfs/dbraw/zinc/77/12/51/709771251.db2.gz RRPLUKLMQFJMPS-AGYKMIKPSA-N 2 1 347.503 1.787 20 30 EDEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034321127 709771256 /nfs/dbraw/zinc/77/12/56/709771256.db2.gz RRPLUKLMQFJMPS-AGYKMIKPSA-N 2 1 347.503 1.787 20 30 EDEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034321127 709771260 /nfs/dbraw/zinc/77/12/60/709771260.db2.gz RRPLUKLMQFJMPS-AGYKMIKPSA-N 2 1 347.503 1.787 20 30 EDEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034435516 710008368 /nfs/dbraw/zinc/00/83/68/710008368.db2.gz IEGVSHYBWAMISP-QGZVFWFLSA-N 2 1 333.480 1.605 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001034882661 711284026 /nfs/dbraw/zinc/28/40/26/711284026.db2.gz DNBSYBNQIGTVGJ-SJLPKXTDSA-N 2 1 344.434 1.872 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141876 711945121 /nfs/dbraw/zinc/94/51/21/711945121.db2.gz PHAAJBOZQNNMOG-MSOLQXFVSA-N 2 1 335.492 1.739 20 30 EDEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033141876 711945123 /nfs/dbraw/zinc/94/51/23/711945123.db2.gz PHAAJBOZQNNMOG-MSOLQXFVSA-N 2 1 335.492 1.739 20 30 EDEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033141876 711945124 /nfs/dbraw/zinc/94/51/24/711945124.db2.gz PHAAJBOZQNNMOG-MSOLQXFVSA-N 2 1 335.492 1.739 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004622029 712068690 /nfs/dbraw/zinc/06/86/90/712068690.db2.gz VTXDSXIWDLPIJA-RBUKOAKNSA-N 2 1 349.519 1.986 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004622029 712068691 /nfs/dbraw/zinc/06/86/91/712068691.db2.gz VTXDSXIWDLPIJA-RBUKOAKNSA-N 2 1 349.519 1.986 20 30 EDEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004622029 712068692 /nfs/dbraw/zinc/06/86/92/712068692.db2.gz VTXDSXIWDLPIJA-RBUKOAKNSA-N 2 1 349.519 1.986 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004622029 712068694 /nfs/dbraw/zinc/06/86/94/712068694.db2.gz VTXDSXIWDLPIJA-RBUKOAKNSA-N 2 1 349.519 1.986 20 30 EDEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264098422 249334273 /nfs/dbraw/zinc/33/42/73/249334273.db2.gz YFQLQMRGXFDLKH-QGZVFWFLSA-N 2 1 342.443 1.364 20 30 EDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000372361360 250220214 /nfs/dbraw/zinc/22/02/14/250220214.db2.gz YYQCIIOZUGSDIY-IKGGRYGDSA-N 2 1 336.480 1.228 20 30 EDEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000376057060 250283985 /nfs/dbraw/zinc/28/39/85/250283985.db2.gz PJJUHVDRVLKFMH-YESZJQIVSA-N 2 1 336.480 1.228 20 30 EDEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000376057060 250283990 /nfs/dbraw/zinc/28/39/90/250283990.db2.gz PJJUHVDRVLKFMH-YESZJQIVSA-N 2 1 336.480 1.228 20 30 EDEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000530236044 268304094 /nfs/dbraw/zinc/30/40/94/268304094.db2.gz MQCOSNUWEKTQIR-QZTJIDSGSA-N 2 1 345.443 1.141 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876409 441303642 /nfs/dbraw/zinc/30/36/42/441303642.db2.gz AQVUKAKDXPWRKY-ZDUSSCGKSA-N 2 1 333.436 1.075 20 30 EDEDMP CC(C)(C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267395076 443442661 /nfs/dbraw/zinc/44/26/61/443442661.db2.gz DTCXOEURQBKDAM-MRXNPFEDSA-N 2 1 345.491 1.587 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CC=CC2)cc1 ZINC000267414283 443448711 /nfs/dbraw/zinc/44/87/11/443448711.db2.gz IWOIJFPEVMHUMM-GOSISDBHSA-N 2 1 327.476 1.951 20 30 EDEDMP Cc1cccc(O[C@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000267416851 443450129 /nfs/dbraw/zinc/45/01/29/443450129.db2.gz JMWLHXIWWKLNQC-MRXNPFEDSA-N 2 1 334.464 1.389 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(N2CC=CC2)c1 ZINC000267445303 443460619 /nfs/dbraw/zinc/46/06/19/443460619.db2.gz PWCRBZACSARMGU-GOSISDBHSA-N 2 1 327.476 1.951 20 30 EDEDMP CCCCNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267453864 443463162 /nfs/dbraw/zinc/46/31/62/443463162.db2.gz SHMGYHDDVDVGBH-KRWDZBQOSA-N 2 1 345.491 1.588 20 30 EDEDMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000265241409 443580993 /nfs/dbraw/zinc/58/09/93/443580993.db2.gz TZZPFRGQLVWZAT-UHFFFAOYSA-N 2 1 344.459 1.665 20 30 EDEDMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000265241409 443580995 /nfs/dbraw/zinc/58/09/95/443580995.db2.gz TZZPFRGQLVWZAT-UHFFFAOYSA-N 2 1 344.459 1.665 20 30 EDEDMP CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280372862 443705143 /nfs/dbraw/zinc/70/51/43/443705143.db2.gz JLUPONPQYGIOAA-KDURUIRLSA-N 2 1 340.471 1.812 20 30 EDEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280372862 443705147 /nfs/dbraw/zinc/70/51/47/443705147.db2.gz JLUPONPQYGIOAA-KDURUIRLSA-N 2 1 340.471 1.812 20 30 EDEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280372862 443705151 /nfs/dbraw/zinc/70/51/51/443705151.db2.gz JLUPONPQYGIOAA-KDURUIRLSA-N 2 1 340.471 1.812 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC(=O)Nc2ccccc21 ZINC000304807938 444253602 /nfs/dbraw/zinc/25/36/02/444253602.db2.gz UEWRBOJYYAVKGR-KGLIPLIRSA-N 2 1 329.448 1.501 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000297083511 444272600 /nfs/dbraw/zinc/27/26/00/444272600.db2.gz ZKXXAFDSKBYSBD-GOSISDBHSA-N 2 1 328.460 1.515 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000297570180 444302632 /nfs/dbraw/zinc/30/26/32/444302632.db2.gz DDXAWPBKPFZCEC-GOSISDBHSA-N 2 1 346.475 1.552 20 30 EDEDMP COc1ccc(CNC[C@]2(O)CC[N@@H+](C)C2)cc1OCCCC#N ZINC000358171286 445609815 /nfs/dbraw/zinc/60/98/15/445609815.db2.gz TTWAAWABWNMQQW-GOSISDBHSA-N 2 1 333.432 1.534 20 30 EDEDMP COc1ccc(C[NH2+]C[C@]2(O)CCN(C)C2)cc1OCCCC#N ZINC000358171286 445609818 /nfs/dbraw/zinc/60/98/18/445609818.db2.gz TTWAAWABWNMQQW-GOSISDBHSA-N 2 1 333.432 1.534 20 30 EDEDMP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1OCCCC#N ZINC000358171286 445609822 /nfs/dbraw/zinc/60/98/22/445609822.db2.gz TTWAAWABWNMQQW-GOSISDBHSA-N 2 1 333.432 1.534 20 30 EDEDMP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1OCCCC#N ZINC000358171286 445609825 /nfs/dbraw/zinc/60/98/25/445609825.db2.gz TTWAAWABWNMQQW-GOSISDBHSA-N 2 1 333.432 1.534 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2CC)CC1 ZINC000371126358 446641221 /nfs/dbraw/zinc/64/12/21/446641221.db2.gz FTANGBPVMPICEZ-KRWDZBQOSA-N 2 1 328.460 1.782 20 30 EDEDMP C#CC(C)(C)[N@H+](C)CC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000368490160 446894562 /nfs/dbraw/zinc/89/45/62/446894562.db2.gz KYAKVLKBVSSXLH-SFHVURJKSA-N 2 1 343.471 1.347 20 30 EDEDMP C#CC(C)(C)[N@@H+](C)CC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000368490160 446894566 /nfs/dbraw/zinc/89/45/66/446894566.db2.gz KYAKVLKBVSSXLH-SFHVURJKSA-N 2 1 343.471 1.347 20 30 EDEDMP N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000591726577 448473316 /nfs/dbraw/zinc/47/33/16/448473316.db2.gz QJLNUZZHTRUKIG-KZNAEPCWSA-N 2 1 329.444 1.709 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000574262140 448829284 /nfs/dbraw/zinc/82/92/84/448829284.db2.gz IJZGSIMRHMWGKF-UHFFFAOYSA-N 2 1 349.523 1.152 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000592755672 448971379 /nfs/dbraw/zinc/97/13/79/448971379.db2.gz VVWBOTXCCLBELY-CRAIPNDOSA-N 2 1 328.460 1.789 20 30 EDEDMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590191655 449115711 /nfs/dbraw/zinc/11/57/11/449115711.db2.gz BRROXIXMFJNGHG-UYAOXDASSA-N 2 1 343.471 1.910 20 30 EDEDMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590191655 449115712 /nfs/dbraw/zinc/11/57/12/449115712.db2.gz BRROXIXMFJNGHG-UYAOXDASSA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590191655 449115714 /nfs/dbraw/zinc/11/57/14/449115714.db2.gz BRROXIXMFJNGHG-UYAOXDASSA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590191655 449115716 /nfs/dbraw/zinc/11/57/16/449115716.db2.gz BRROXIXMFJNGHG-UYAOXDASSA-N 2 1 343.471 1.910 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597941323 449151156 /nfs/dbraw/zinc/15/11/56/449151156.db2.gz ABVBCKFMGGLTRF-LBPRGKRZSA-N 2 1 338.402 1.838 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC000597941323 449151161 /nfs/dbraw/zinc/15/11/61/449151161.db2.gz ABVBCKFMGGLTRF-LBPRGKRZSA-N 2 1 338.402 1.838 20 30 EDEDMP C[N@H+]1CC[C@H](CC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000602048037 449300041 /nfs/dbraw/zinc/30/00/41/449300041.db2.gz UQULMPNSHRTATO-LJQANCHMSA-N 2 1 340.471 1.934 20 30 EDEDMP C[NH+]1CC[C@H](CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000602048037 449300042 /nfs/dbraw/zinc/30/00/42/449300042.db2.gz UQULMPNSHRTATO-LJQANCHMSA-N 2 1 340.471 1.934 20 30 EDEDMP C[NH+]1CC[C@H](CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000602048037 449300045 /nfs/dbraw/zinc/30/00/45/449300045.db2.gz UQULMPNSHRTATO-LJQANCHMSA-N 2 1 340.471 1.934 20 30 EDEDMP C=CCN(C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H](C)COC ZINC000664128987 452808950 /nfs/dbraw/zinc/80/89/50/452808950.db2.gz DMQZUIGFTCLNPD-HZPDHXFCSA-N 2 1 338.496 1.387 20 30 EDEDMP C=CCN(C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H](C)COC ZINC000664128987 452808958 /nfs/dbraw/zinc/80/89/58/452808958.db2.gz DMQZUIGFTCLNPD-HZPDHXFCSA-N 2 1 338.496 1.387 20 30 EDEDMP C=CC[C@@]1(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCC[NH2+]1 ZINC000662752420 453486166 /nfs/dbraw/zinc/48/61/66/453486166.db2.gz YJTKFJARWUPZCQ-IBGZPJMESA-N 2 1 343.475 1.877 20 30 EDEDMP N#Cc1ccsc1N1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C1=O ZINC000363365414 526767888 /nfs/dbraw/zinc/76/78/88/526767888.db2.gz KTOSGKROJHFQBG-CHWSQXEVSA-N 2 1 327.413 1.526 20 30 EDEDMP Cc1nn(-c2ccccc2)c(N)c1C=[NH+]NCCC[NH+]1CCOCC1 ZINC000794939450 580908607 /nfs/dbraw/zinc/90/86/07/580908607.db2.gz ZGSMLCMUZDNMCR-UHFFFAOYSA-N 2 1 342.447 1.409 20 30 EDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[N@@H+](C)C1CCC1 ZINC000900245818 591957630 /nfs/dbraw/zinc/95/76/30/591957630.db2.gz MLNVTBDNLQSERF-UHFFFAOYSA-N 2 1 328.460 1.933 20 30 EDEDMP N#Cc1ccc(C[NH+]2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000908930465 592683178 /nfs/dbraw/zinc/68/31/78/592683178.db2.gz KLOCHPWMCJDHCY-IBGZPJMESA-N 2 1 328.460 1.133 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000838621888 593197273 /nfs/dbraw/zinc/19/72/73/593197273.db2.gz HZJKSCYBKGCOFP-LJQANCHMSA-N 2 1 342.487 1.510 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000838621888 593197275 /nfs/dbraw/zinc/19/72/75/593197275.db2.gz HZJKSCYBKGCOFP-LJQANCHMSA-N 2 1 342.487 1.510 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)[C@H](Cc2ccccc2)C1 ZINC000838621888 593197277 /nfs/dbraw/zinc/19/72/77/593197277.db2.gz HZJKSCYBKGCOFP-LJQANCHMSA-N 2 1 342.487 1.510 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000838621888 593197281 /nfs/dbraw/zinc/19/72/81/593197281.db2.gz HZJKSCYBKGCOFP-LJQANCHMSA-N 2 1 342.487 1.510 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817658486 593620392 /nfs/dbraw/zinc/62/03/92/593620392.db2.gz DWVTWGFNWKWYAX-IBGZPJMESA-N 2 1 346.519 1.103 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817658486 593620393 /nfs/dbraw/zinc/62/03/93/593620393.db2.gz DWVTWGFNWKWYAX-IBGZPJMESA-N 2 1 346.519 1.103 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000836393213 594959036 /nfs/dbraw/zinc/95/90/36/594959036.db2.gz GLPNLVXHNGOLMO-UHFFFAOYSA-N 2 1 343.475 1.745 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000836393213 594959037 /nfs/dbraw/zinc/95/90/37/594959037.db2.gz GLPNLVXHNGOLMO-UHFFFAOYSA-N 2 1 343.475 1.745 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000844925486 595415245 /nfs/dbraw/zinc/41/52/45/595415245.db2.gz QIUKPQIJARQGKA-HXUWFJFHSA-N 2 1 339.483 1.717 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@H]2Cc2ccccc2)CC1 ZINC000844925486 595415246 /nfs/dbraw/zinc/41/52/46/595415246.db2.gz QIUKPQIJARQGKA-HXUWFJFHSA-N 2 1 339.483 1.717 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000869515580 596547553 /nfs/dbraw/zinc/54/75/53/596547553.db2.gz DCQNOOPKDAKHSS-IBGZPJMESA-N 2 1 331.460 1.200 20 30 EDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000867969553 596638350 /nfs/dbraw/zinc/63/83/50/596638350.db2.gz OYNGSEVCCMMHOP-SFHVURJKSA-N 2 1 333.395 1.424 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000917137711 696950401 /nfs/dbraw/zinc/95/04/01/696950401.db2.gz VKJSJGWFRZVMBV-HOTGVXAUSA-N 2 1 338.521 1.516 20 30 EDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902164 700976966 /nfs/dbraw/zinc/97/69/66/700976966.db2.gz YATMUXNUGYISKA-RXCRORICSA-N 2 1 347.503 1.642 20 30 EDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902164 700976967 /nfs/dbraw/zinc/97/69/67/700976967.db2.gz YATMUXNUGYISKA-RXCRORICSA-N 2 1 347.503 1.642 20 30 EDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902164 700976969 /nfs/dbraw/zinc/97/69/69/700976969.db2.gz YATMUXNUGYISKA-RXCRORICSA-N 2 1 347.503 1.642 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941231924 701405432 /nfs/dbraw/zinc/40/54/32/701405432.db2.gz YONHYOSSFBKNON-DLBZAZTESA-N 2 1 337.508 1.890 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941231924 701405434 /nfs/dbraw/zinc/40/54/34/701405434.db2.gz YONHYOSSFBKNON-DLBZAZTESA-N 2 1 337.508 1.890 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231924 701405436 /nfs/dbraw/zinc/40/54/36/701405436.db2.gz YONHYOSSFBKNON-DLBZAZTESA-N 2 1 337.508 1.890 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231924 701405438 /nfs/dbraw/zinc/40/54/38/701405438.db2.gz YONHYOSSFBKNON-DLBZAZTESA-N 2 1 337.508 1.890 20 30 EDEDMP C#CCN1CC[NH+](C2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996794596 703079226 /nfs/dbraw/zinc/07/92/26/703079226.db2.gz AUBHXDFJHSBSIG-LMDPOFIKSA-N 2 1 346.519 1.006 20 30 EDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597964 704309107 /nfs/dbraw/zinc/30/91/07/704309107.db2.gz SCUQFUNPLFROKZ-RDGPPVDQSA-N 2 1 345.487 1.043 20 30 EDEDMP C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944945215 704798266 /nfs/dbraw/zinc/79/82/66/704798266.db2.gz QABVQTJNNUMJAQ-LPHOPBHVSA-N 2 1 340.471 1.981 20 30 EDEDMP C=CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000998304921 705708023 /nfs/dbraw/zinc/70/80/23/705708023.db2.gz OUFFVKYXUKVQNP-KBPBESRZSA-N 2 1 349.397 1.264 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC000998316410 705737044 /nfs/dbraw/zinc/73/70/44/705737044.db2.gz QUQPJIRAAFPCDY-STQMWFEESA-N 2 1 328.338 1.194 20 30 EDEDMP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000998993988 706411470 /nfs/dbraw/zinc/41/14/70/706411470.db2.gz IPHHJDGQIPTNNK-JXQTWKCFSA-N 2 1 344.297 1.958 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999964190 707629948 /nfs/dbraw/zinc/62/99/48/707629948.db2.gz VXIYXAFDCZJNRE-IRXDYDNUSA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999964190 707629949 /nfs/dbraw/zinc/62/99/49/707629949.db2.gz VXIYXAFDCZJNRE-IRXDYDNUSA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999964190 707629952 /nfs/dbraw/zinc/62/99/52/707629952.db2.gz VXIYXAFDCZJNRE-IRXDYDNUSA-N 2 1 346.479 1.202 20 30 EDEDMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001033421497 707834550 /nfs/dbraw/zinc/83/45/50/707834550.db2.gz YPYSGXNRMXMGBZ-APWZRJJASA-N 2 1 340.471 1.933 20 30 EDEDMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001033421497 707834553 /nfs/dbraw/zinc/83/45/53/707834553.db2.gz YPYSGXNRMXMGBZ-APWZRJJASA-N 2 1 340.471 1.933 20 30 EDEDMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001033421497 707834559 /nfs/dbraw/zinc/83/45/59/707834559.db2.gz YPYSGXNRMXMGBZ-APWZRJJASA-N 2 1 340.471 1.933 20 30 EDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001142655 708106442 /nfs/dbraw/zinc/10/64/42/708106442.db2.gz AHXIEPADIFRIRK-QGZVFWFLSA-N 2 1 326.444 1.526 20 30 EDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001142655 708106445 /nfs/dbraw/zinc/10/64/45/708106445.db2.gz AHXIEPADIFRIRK-QGZVFWFLSA-N 2 1 326.444 1.526 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033665099 708447679 /nfs/dbraw/zinc/44/76/79/708447679.db2.gz LZJRNOFRYUTBMY-KGLIPLIRSA-N 2 1 332.473 1.604 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033665099 708447683 /nfs/dbraw/zinc/44/76/83/708447683.db2.gz LZJRNOFRYUTBMY-KGLIPLIRSA-N 2 1 332.473 1.604 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033665099 708447687 /nfs/dbraw/zinc/44/76/87/708447687.db2.gz LZJRNOFRYUTBMY-KGLIPLIRSA-N 2 1 332.473 1.604 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033665099 708447691 /nfs/dbraw/zinc/44/76/91/708447691.db2.gz LZJRNOFRYUTBMY-KGLIPLIRSA-N 2 1 332.473 1.604 20 30 EDEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001005423315 708940122 /nfs/dbraw/zinc/94/01/22/708940122.db2.gz DAAMRJBHSLUUQK-HZPDHXFCSA-N 2 1 341.883 1.525 20 30 EDEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001005423315 708940124 /nfs/dbraw/zinc/94/01/24/708940124.db2.gz DAAMRJBHSLUUQK-HZPDHXFCSA-N 2 1 341.883 1.525 20 30 EDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001005496785 709230764 /nfs/dbraw/zinc/23/07/64/709230764.db2.gz IKZLKUMLGYCARO-IBGZPJMESA-N 2 1 347.503 1.576 20 30 EDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001005496887 709231052 /nfs/dbraw/zinc/23/10/52/709231052.db2.gz JJPABTBSZWWTQV-IBGZPJMESA-N 2 1 347.503 1.576 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001005517608 709437748 /nfs/dbraw/zinc/43/77/48/709437748.db2.gz DKLQOMZQIOREGL-OALUTQOASA-N 2 1 347.503 1.576 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001005517608 709437750 /nfs/dbraw/zinc/43/77/50/709437750.db2.gz DKLQOMZQIOREGL-OALUTQOASA-N 2 1 347.503 1.576 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC001003056340 709905968 /nfs/dbraw/zinc/90/59/68/709905968.db2.gz PQDHIJWVLILUAU-KRWDZBQOSA-N 2 1 331.485 1.926 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC001003056340 709905971 /nfs/dbraw/zinc/90/59/71/709905971.db2.gz PQDHIJWVLILUAU-KRWDZBQOSA-N 2 1 331.485 1.926 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)NC1CCN(Cc2ocnc2C)CC1 ZINC001003056748 709906727 /nfs/dbraw/zinc/90/67/27/709906727.db2.gz RTIAFHWSPPLOMB-INIZCTEOSA-N 2 1 330.432 1.161 20 30 EDEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001034524955 710174524 /nfs/dbraw/zinc/17/45/24/710174524.db2.gz JGZAZLHUXDTKOT-UXHICEINSA-N 2 1 339.483 1.961 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001034524955 710174528 /nfs/dbraw/zinc/17/45/28/710174528.db2.gz JGZAZLHUXDTKOT-UXHICEINSA-N 2 1 339.483 1.961 20 30 EDEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001034524955 710174530 /nfs/dbraw/zinc/17/45/30/710174530.db2.gz JGZAZLHUXDTKOT-UXHICEINSA-N 2 1 339.483 1.961 20 30 EDEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001034524955 710174533 /nfs/dbraw/zinc/17/45/33/710174533.db2.gz JGZAZLHUXDTKOT-UXHICEINSA-N 2 1 339.483 1.961 20 30 EDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001004523645 711924189 /nfs/dbraw/zinc/92/41/89/711924189.db2.gz SXAMAQWKYJEJME-MOPGFXCFSA-N 2 1 349.519 1.985 20 30 EDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001004523645 711924191 /nfs/dbraw/zinc/92/41/91/711924191.db2.gz SXAMAQWKYJEJME-MOPGFXCFSA-N 2 1 349.519 1.985 20 30 EDEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004523645 711924194 /nfs/dbraw/zinc/92/41/94/711924194.db2.gz SXAMAQWKYJEJME-MOPGFXCFSA-N 2 1 349.519 1.985 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004523645 711924197 /nfs/dbraw/zinc/92/41/97/711924197.db2.gz SXAMAQWKYJEJME-MOPGFXCFSA-N 2 1 349.519 1.985 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)OC)C[C@H]2CC1 ZINC000946628138 711974164 /nfs/dbraw/zinc/97/41/64/711974164.db2.gz JCZCSSSTAOEUBJ-YRXWBPOGSA-N 2 1 347.503 1.289 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]2CC1 ZINC000946628138 711974165 /nfs/dbraw/zinc/97/41/65/711974165.db2.gz JCZCSSSTAOEUBJ-YRXWBPOGSA-N 2 1 347.503 1.289 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H](C)OC)C[C@H]2CC1 ZINC000946628138 711974167 /nfs/dbraw/zinc/97/41/67/711974167.db2.gz JCZCSSSTAOEUBJ-YRXWBPOGSA-N 2 1 347.503 1.289 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H](C)OC)C[C@H]2CC1 ZINC000946628138 711974168 /nfs/dbraw/zinc/97/41/68/711974168.db2.gz JCZCSSSTAOEUBJ-YRXWBPOGSA-N 2 1 347.503 1.289 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001004614466 712048960 /nfs/dbraw/zinc/04/89/60/712048960.db2.gz BNYZYUMLQJTPLC-QZTJIDSGSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004614466 712048961 /nfs/dbraw/zinc/04/89/61/712048961.db2.gz BNYZYUMLQJTPLC-QZTJIDSGSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004614466 712048963 /nfs/dbraw/zinc/04/89/63/712048963.db2.gz BNYZYUMLQJTPLC-QZTJIDSGSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004614466 712048965 /nfs/dbraw/zinc/04/89/65/712048965.db2.gz BNYZYUMLQJTPLC-QZTJIDSGSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004614466 712048967 /nfs/dbraw/zinc/04/89/67/712048967.db2.gz BNYZYUMLQJTPLC-QZTJIDSGSA-N 2 1 335.492 1.596 20 30 EDEDMP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)[N@H+](C)C1 ZINC000329127717 539413668 /nfs/dbraw/zinc/41/36/68/539413668.db2.gz NDAITZHBLDEKOJ-ROUUACIJSA-N 2 1 347.459 1.950 20 30 EDEDMP CO[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)[N@@H+](C)C1 ZINC000329127717 539413673 /nfs/dbraw/zinc/41/36/73/539413673.db2.gz NDAITZHBLDEKOJ-ROUUACIJSA-N 2 1 347.459 1.950 20 30 EDEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCOCC1)c1cccc(OC)c1 ZINC000264075241 249331109 /nfs/dbraw/zinc/33/11/09/249331109.db2.gz HGXKNTLYHQLXLT-QGZVFWFLSA-N 2 1 334.464 1.725 20 30 EDEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])NCC(C)C)cc2)CC1 ZINC000264093862 249333607 /nfs/dbraw/zinc/33/36/07/249333607.db2.gz LZOZBFUVGIIAGS-UHFFFAOYSA-N 2 1 331.508 1.884 20 30 EDEDMP C[C@@H](C[NH3+])CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418475044 251374043 /nfs/dbraw/zinc/37/40/43/251374043.db2.gz QGQLRTLMDXHMEZ-HNNXBMFYSA-N 2 1 329.448 1.370 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000333723776 141366415 /nfs/dbraw/zinc/36/64/15/141366415.db2.gz VBQFXGKKMHMYPB-KRWDZBQOSA-N 2 1 327.432 1.137 20 30 EDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000360928132 162299857 /nfs/dbraw/zinc/29/98/57/162299857.db2.gz RCNBWKJIQCPYQB-JYBIWHBTSA-N 2 1 341.455 1.714 20 30 EDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000360928132 162299866 /nfs/dbraw/zinc/29/98/66/162299866.db2.gz RCNBWKJIQCPYQB-JYBIWHBTSA-N 2 1 341.455 1.714 20 30 EDEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000360928132 162299869 /nfs/dbraw/zinc/29/98/69/162299869.db2.gz RCNBWKJIQCPYQB-JYBIWHBTSA-N 2 1 341.455 1.714 20 30 EDEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000360928132 162299873 /nfs/dbraw/zinc/29/98/73/162299873.db2.gz RCNBWKJIQCPYQB-JYBIWHBTSA-N 2 1 341.455 1.714 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000050023929 441370774 /nfs/dbraw/zinc/37/07/74/441370774.db2.gz SHDIQDKQVDIVSW-LJQANCHMSA-N 2 1 325.456 1.722 20 30 EDEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000158695674 441757657 /nfs/dbraw/zinc/75/76/57/441757657.db2.gz AXIMIYMAZXTSTK-HZPDHXFCSA-N 2 1 345.491 1.533 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N(C)Cc1ccccc1 ZINC000170913628 442287845 /nfs/dbraw/zinc/28/78/45/442287845.db2.gz WRPNUAGTUAFRNT-MRXNPFEDSA-N 2 1 331.464 1.034 20 30 EDEDMP C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261659005 443162929 /nfs/dbraw/zinc/16/29/29/443162929.db2.gz AMIGSADDHUKTRJ-HEFCMCLBSA-N 2 1 342.487 1.468 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000264645860 443359728 /nfs/dbraw/zinc/35/97/28/443359728.db2.gz HHFLLPANGLRORZ-KRWDZBQOSA-N 2 1 327.472 1.968 20 30 EDEDMP COc1ccc(CNC(=[NH2+])NCC[N@@H+](C)C2CCCC2)cc1OC ZINC000267443706 443459307 /nfs/dbraw/zinc/45/93/07/443459307.db2.gz PRJAGTRKSSIYJZ-UHFFFAOYSA-N 2 1 334.464 1.983 20 30 EDEDMP C[C@@H](CNC(=O)N1CCC([N@@H+](C)CCO)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000331143476 444415126 /nfs/dbraw/zinc/41/51/26/444415126.db2.gz YJDYBNDFXRAQDA-CVEARBPZSA-N 2 1 340.512 1.409 20 30 EDEDMP C[C@@H](CNC(=O)N1CCC([NH+](C)CCO)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000331143476 444415131 /nfs/dbraw/zinc/41/51/31/444415131.db2.gz YJDYBNDFXRAQDA-CVEARBPZSA-N 2 1 340.512 1.409 20 30 EDEDMP C[C@@H](CNC(=O)N1CCC([NH+](C)CCO)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000331143476 444415136 /nfs/dbraw/zinc/41/51/36/444415136.db2.gz YJDYBNDFXRAQDA-CVEARBPZSA-N 2 1 340.512 1.409 20 30 EDEDMP C[N@@H+](CCCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CC1 ZINC000581127518 322139123 /nfs/dbraw/zinc/13/91/23/322139123.db2.gz XGIRCDSOQSVWKL-UHFFFAOYSA-N 2 1 335.473 1.796 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343986503 444711727 /nfs/dbraw/zinc/71/17/27/444711727.db2.gz QQPNHYRNAKAUBK-GBESFXJTSA-N 2 1 348.535 1.533 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343986503 444711731 /nfs/dbraw/zinc/71/17/31/444711731.db2.gz QQPNHYRNAKAUBK-GBESFXJTSA-N 2 1 348.535 1.533 20 30 EDEDMP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[NH+](C2CC2)CC1 ZINC000330226172 444895475 /nfs/dbraw/zinc/89/54/75/444895475.db2.gz OPMFJLCCXYNWTQ-IAGOWNOFSA-N 2 1 336.480 1.058 20 30 EDEDMP C(#CC[N@H+]1CC[C@@]2(C1)CCCOC2)C[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000375290819 446696811 /nfs/dbraw/zinc/69/68/11/446696811.db2.gz CRSCQCXXDGSZJI-WOJBJXKFSA-N 2 1 332.488 1.995 20 30 EDEDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000566108131 448390389 /nfs/dbraw/zinc/39/03/89/448390389.db2.gz CVHYSSUAPPUUIS-MSOLQXFVSA-N 2 1 331.460 1.814 20 30 EDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594437451 449516086 /nfs/dbraw/zinc/51/60/86/449516086.db2.gz JUYKRZGCQCEQCY-FGTMMUONSA-N 2 1 349.523 1.415 20 30 EDEDMP N#Cc1cccc(CNC(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602845848 449853782 /nfs/dbraw/zinc/85/37/82/449853782.db2.gz LSFCISOOCIEIBZ-UHFFFAOYSA-N 2 1 349.438 1.782 20 30 EDEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327175 453046260 /nfs/dbraw/zinc/04/62/60/453046260.db2.gz FAAVAMHWPPYGAQ-CQSZACIVSA-N 2 1 345.491 1.747 20 30 EDEDMP N#Cc1ccsc1N1CC[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C1=O ZINC000363365417 526767260 /nfs/dbraw/zinc/76/72/60/526767260.db2.gz KTOSGKROJHFQBG-STQMWFEESA-N 2 1 327.413 1.526 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000730096472 578613989 /nfs/dbraw/zinc/61/39/89/578613989.db2.gz SOKOZDKHQPTXBZ-ROUUACIJSA-N 2 1 329.444 1.512 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000730096472 578613990 /nfs/dbraw/zinc/61/39/90/578613990.db2.gz SOKOZDKHQPTXBZ-ROUUACIJSA-N 2 1 329.444 1.512 20 30 EDEDMP COc1cc(C#N)ccc1CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000779651202 580492971 /nfs/dbraw/zinc/49/29/71/580492971.db2.gz GWAAJRDSCSRYHY-MRXNPFEDSA-N 2 1 332.404 1.675 20 30 EDEDMP COc1cc(C#N)ccc1CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000779651202 580492972 /nfs/dbraw/zinc/49/29/72/580492972.db2.gz GWAAJRDSCSRYHY-MRXNPFEDSA-N 2 1 332.404 1.675 20 30 EDEDMP C[C@H](C#N)OCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000796381782 580952627 /nfs/dbraw/zinc/95/26/27/580952627.db2.gz GBINCRGCRGIFGS-UYAOXDASSA-N 2 1 342.487 1.807 20 30 EDEDMP C[C@H](C#N)OCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000796381782 580952628 /nfs/dbraw/zinc/95/26/28/580952628.db2.gz GBINCRGCRGIFGS-UYAOXDASSA-N 2 1 342.487 1.807 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000900745030 592115976 /nfs/dbraw/zinc/11/59/76/592115976.db2.gz NXWGZKJOVFVEEE-IEBWSBKVSA-N 2 1 345.487 1.761 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000900745030 592115978 /nfs/dbraw/zinc/11/59/78/592115978.db2.gz NXWGZKJOVFVEEE-IEBWSBKVSA-N 2 1 345.487 1.761 20 30 EDEDMP N#CC1(CCCC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000903713439 592291255 /nfs/dbraw/zinc/29/12/55/592291255.db2.gz QKAHDWZITXPFOM-KRWDZBQOSA-N 2 1 332.492 1.994 20 30 EDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cnn(CC#N)c3)CC2)CC1 ZINC000847408109 595413282 /nfs/dbraw/zinc/41/32/82/595413282.db2.gz HTOBKRVGXAAIID-UHFFFAOYSA-N 2 1 344.463 1.541 20 30 EDEDMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852862649 595583224 /nfs/dbraw/zinc/58/32/24/595583224.db2.gz ICTHLHHCZCALFB-QFBILLFUSA-N 2 1 325.456 1.941 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C[C@@H](C)O)c1ccccc1 ZINC000122385580 596380613 /nfs/dbraw/zinc/38/06/13/596380613.db2.gz PKOLPSVVVSLZNC-KBAYOESNSA-N 2 1 332.492 1.930 20 30 EDEDMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876959558 597397139 /nfs/dbraw/zinc/39/71/39/597397139.db2.gz UAXNWDAFAVNURW-RDJZCZTQSA-N 2 1 326.444 1.734 20 30 EDEDMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876959558 597397142 /nfs/dbraw/zinc/39/71/42/597397142.db2.gz UAXNWDAFAVNURW-RDJZCZTQSA-N 2 1 326.444 1.734 20 30 EDEDMP C#CCN(C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000914342038 695366656 /nfs/dbraw/zinc/36/66/56/695366656.db2.gz VEYJJKXVTAPDIF-IAGOWNOFSA-N 2 1 334.508 1.846 20 30 EDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993826550 696395503 /nfs/dbraw/zinc/39/55/03/696395503.db2.gz QVILDBJPLIVAEP-NVXWUHKLSA-N 2 1 344.459 1.876 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000993826550 696395505 /nfs/dbraw/zinc/39/55/05/696395505.db2.gz QVILDBJPLIVAEP-NVXWUHKLSA-N 2 1 344.459 1.876 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000921493807 697625863 /nfs/dbraw/zinc/62/58/63/697625863.db2.gz WJYWMOUNKKDKFL-ZWKOTPCHSA-N 2 1 348.491 1.027 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001031742783 698328345 /nfs/dbraw/zinc/32/83/45/698328345.db2.gz QSYCGILJCWRAAN-ZBFHGGJFSA-N 2 1 339.430 1.567 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001031742783 698328348 /nfs/dbraw/zinc/32/83/48/698328348.db2.gz QSYCGILJCWRAAN-ZBFHGGJFSA-N 2 1 339.430 1.567 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000941596206 701587645 /nfs/dbraw/zinc/58/76/45/701587645.db2.gz XGIUDXAZZLIHBQ-IBGZPJMESA-N 2 1 348.535 1.654 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000941596206 701587646 /nfs/dbraw/zinc/58/76/46/701587646.db2.gz XGIUDXAZZLIHBQ-IBGZPJMESA-N 2 1 348.535 1.654 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901836 700976564 /nfs/dbraw/zinc/97/65/64/700976564.db2.gz QXZIHSNPFLCLRM-MUZJZNNISA-N 2 1 345.487 1.090 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#CC)CC2(C)C)CC1 ZINC000941239123 701429400 /nfs/dbraw/zinc/42/94/00/701429400.db2.gz ITGWYMWQNDKRME-SFHVURJKSA-N 2 1 329.488 1.572 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001031978241 701992185 /nfs/dbraw/zinc/99/21/85/701992185.db2.gz QVSUUKOYKAZLPX-KBXCAEBGSA-N 2 1 326.444 1.304 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(C#N)s3)C(C)(C)C2)C1 ZINC000996607554 702910597 /nfs/dbraw/zinc/91/05/97/702910597.db2.gz CRNCPJHWUBAXJA-BBRMVZONSA-N 2 1 346.500 1.898 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(C)cs2)CC1 ZINC000996686220 702983930 /nfs/dbraw/zinc/98/39/30/702983930.db2.gz SEINVAVIWBATDL-INIZCTEOSA-N 2 1 346.500 1.630 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nc(C)cs2)CC1 ZINC000996686220 702983932 /nfs/dbraw/zinc/98/39/32/702983932.db2.gz SEINVAVIWBATDL-INIZCTEOSA-N 2 1 346.500 1.630 20 30 EDEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000997188550 703478199 /nfs/dbraw/zinc/47/81/99/703478199.db2.gz ZJFSTDOGJLNLMV-SFHVURJKSA-N 2 1 340.471 1.981 20 30 EDEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997229197 703504852 /nfs/dbraw/zinc/50/48/52/703504852.db2.gz UOMUCKYHNBJFQY-PSPFXIJKSA-N 2 1 333.476 1.252 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC[C@H]1CCOC1 ZINC001032453493 703630892 /nfs/dbraw/zinc/63/08/92/703630892.db2.gz BLZPBVFZSFGUMH-VJANTYMQSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC[C@H]1CCOC1 ZINC001032453493 703630893 /nfs/dbraw/zinc/63/08/93/703630893.db2.gz BLZPBVFZSFGUMH-VJANTYMQSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@H]1CCOC1 ZINC001032453493 703630894 /nfs/dbraw/zinc/63/08/94/703630894.db2.gz BLZPBVFZSFGUMH-VJANTYMQSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@H]1CCOC1 ZINC001032453493 703630895 /nfs/dbraw/zinc/63/08/95/703630895.db2.gz BLZPBVFZSFGUMH-VJANTYMQSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997749850 704650254 /nfs/dbraw/zinc/65/02/54/704650254.db2.gz ZHEDFBRXLVQIRZ-YJBOKZPZSA-N 2 1 342.487 1.994 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(C)cs2)C1 ZINC000998922600 706351100 /nfs/dbraw/zinc/35/11/00/706351100.db2.gz KNHVUVMUUIAGLF-GPANFISMSA-N 2 1 346.500 1.628 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(C)cs2)C1 ZINC000998922600 706351104 /nfs/dbraw/zinc/35/11/04/706351104.db2.gz KNHVUVMUUIAGLF-GPANFISMSA-N 2 1 346.500 1.628 20 30 EDEDMP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000998993989 706411401 /nfs/dbraw/zinc/41/14/01/706411401.db2.gz IPHHJDGQIPTNNK-RUXDESIVSA-N 2 1 344.297 1.958 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(C)o2)C1 ZINC000999393069 706887545 /nfs/dbraw/zinc/88/75/45/706887545.db2.gz VOJQDEZSIUNHKB-WBVHZDCISA-N 2 1 330.432 1.161 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(C)o2)C1 ZINC000999393069 706887546 /nfs/dbraw/zinc/88/75/46/706887546.db2.gz VOJQDEZSIUNHKB-WBVHZDCISA-N 2 1 330.432 1.161 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccccc2C#N)C1 ZINC000999835586 707470006 /nfs/dbraw/zinc/47/00/06/707470006.db2.gz GUWYOHYEIOTKIS-AOCRQIFASA-N 2 1 326.444 1.589 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC001033684361 708497168 /nfs/dbraw/zinc/49/71/68/708497168.db2.gz NOXRDKGVOZPVDZ-MOPGFXCFSA-N 2 1 347.503 1.433 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001034043560 709294575 /nfs/dbraw/zinc/29/45/75/709294575.db2.gz WJPXJNRKAOJJOJ-RTBURBONSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034043560 709294576 /nfs/dbraw/zinc/29/45/76/709294576.db2.gz WJPXJNRKAOJJOJ-RTBURBONSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034043560 709294578 /nfs/dbraw/zinc/29/45/78/709294578.db2.gz WJPXJNRKAOJJOJ-RTBURBONSA-N 2 1 340.471 1.933 20 30 EDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003330753 710265308 /nfs/dbraw/zinc/26/53/08/710265308.db2.gz CLTGNIHXTJPKJU-RMXPPQQLSA-N 2 1 333.476 1.396 20 30 EDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623494 711922806 /nfs/dbraw/zinc/92/28/06/711922806.db2.gz KFUXQSDGNYOARZ-FGTMMUONSA-N 2 1 340.471 1.954 20 30 EDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623494 711922807 /nfs/dbraw/zinc/92/28/07/711922807.db2.gz KFUXQSDGNYOARZ-FGTMMUONSA-N 2 1 340.471 1.954 20 30 EDEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004599028 712043124 /nfs/dbraw/zinc/04/31/24/712043124.db2.gz BSVOWRPSMILAMT-GOSISDBHSA-N 2 1 329.488 1.809 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001004619844 712080837 /nfs/dbraw/zinc/08/08/37/712080837.db2.gz MJVGQZVKUUZIRX-HXUWFJFHSA-N 2 1 341.499 1.668 20 30 EDEDMP CC(C)COc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264072978 249330157 /nfs/dbraw/zinc/33/01/57/249330157.db2.gz DQSSSFPQRRBVEI-UHFFFAOYSA-N 2 1 348.491 1.848 20 30 EDEDMP OC[C@H]([NH2+]CC#CC[NH2+][C@@H](CO)c1ccsc1)c1ccsc1 ZINC000341920099 250003324 /nfs/dbraw/zinc/00/33/24/250003324.db2.gz ILCPNKBLVCMCHL-HOTGVXAUSA-N 2 1 336.482 1.759 20 30 EDEDMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@H](C)[NH3+] ZINC000418703058 251388141 /nfs/dbraw/zinc/38/81/41/251388141.db2.gz QMSXJEFHVDTLFD-LSDHHAIUSA-N 2 1 329.448 1.511 20 30 EDEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000424152934 252144939 /nfs/dbraw/zinc/14/49/39/252144939.db2.gz JJZUQTNTVYZNTR-ROUUACIJSA-N 2 1 328.460 1.688 20 30 EDEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000372282417 287131416 /nfs/dbraw/zinc/13/14/16/287131416.db2.gz NBHOIUAHAYVPJS-SFHVURJKSA-N 2 1 342.487 1.959 20 30 EDEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000372282417 287131419 /nfs/dbraw/zinc/13/14/19/287131419.db2.gz NBHOIUAHAYVPJS-SFHVURJKSA-N 2 1 342.487 1.959 20 30 EDEDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)c(O)c1 ZINC000188410496 266147380 /nfs/dbraw/zinc/14/73/80/266147380.db2.gz BBVXKLMYUAHRRP-KRWDZBQOSA-N 2 1 344.459 1.752 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)c(O)c1 ZINC000188410496 266147384 /nfs/dbraw/zinc/14/73/84/266147384.db2.gz BBVXKLMYUAHRRP-KRWDZBQOSA-N 2 1 344.459 1.752 20 30 EDEDMP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289399816 267141148 /nfs/dbraw/zinc/14/11/48/267141148.db2.gz KWJLCZSJGPWMQL-MRXNPFEDSA-N 2 1 345.491 1.701 20 30 EDEDMP C[NH2+]CCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418281539 267346017 /nfs/dbraw/zinc/34/60/17/267346017.db2.gz UYRNJCUZAOUKDD-UHFFFAOYSA-N 2 1 329.448 1.385 20 30 EDEDMP COc1cc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)ccc1C#N ZINC000414656141 447316578 /nfs/dbraw/zinc/31/65/78/447316578.db2.gz MLXGMSLNOJFSIP-KRWDZBQOSA-N 2 1 342.443 1.211 20 30 EDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958077 441428604 /nfs/dbraw/zinc/42/86/04/441428604.db2.gz LUMJDSYXGJBTMR-GOSISDBHSA-N 2 1 336.480 1.085 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn(C)nc1C(F)(F)F ZINC000160796982 441921495 /nfs/dbraw/zinc/92/14/95/441921495.db2.gz HFFOIBBUXPPMHS-NSHDSACASA-N 2 1 332.374 1.328 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000180760016 442656163 /nfs/dbraw/zinc/65/61/63/442656163.db2.gz BKRJYUBIRIUVBW-HZPDHXFCSA-N 2 1 338.496 1.123 20 30 EDEDMP C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261954540 443175647 /nfs/dbraw/zinc/17/56/47/443175647.db2.gz IIRYOZWGBCHUGX-LRDDRELGSA-N 2 1 347.438 1.412 20 30 EDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261963787 443176191 /nfs/dbraw/zinc/17/61/91/443176191.db2.gz KYGBDHKSJRRZNR-RDJZCZTQSA-N 2 1 343.479 1.937 20 30 EDEDMP C[NH+]=C(NCCn1cnc2ccccc21)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262025583 443179969 /nfs/dbraw/zinc/17/99/69/443179969.db2.gz ZQVYMJVUFNXRCB-WMLDXEAASA-N 2 1 340.475 1.684 20 30 EDEDMP CN1CCCc2cc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)ccc21 ZINC000264123708 443251183 /nfs/dbraw/zinc/25/11/83/443251183.db2.gz VRBHFTXJZYPOFG-UHFFFAOYSA-N 2 1 345.491 1.196 20 30 EDEDMP CC[N@@H+](CCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1)C1CC1 ZINC000264230147 443255845 /nfs/dbraw/zinc/25/58/45/443255845.db2.gz CEWKARYXDFMDPH-UHFFFAOYSA-N 2 1 334.464 1.635 20 30 EDEDMP CN(CCC#N)c1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000269352891 443290333 /nfs/dbraw/zinc/29/03/33/443290333.db2.gz KWBPXSKRXQCEJJ-UHFFFAOYSA-N 2 1 330.476 1.925 20 30 EDEDMP CN(CCC#N)c1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000269352891 443290335 /nfs/dbraw/zinc/29/03/35/443290335.db2.gz KWBPXSKRXQCEJJ-UHFFFAOYSA-N 2 1 330.476 1.925 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCCCOC)cc1 ZINC000285030968 443828905 /nfs/dbraw/zinc/82/89/05/443828905.db2.gz JYSTZXPSYJSPID-QGZVFWFLSA-N 2 1 348.491 1.991 20 30 EDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000303901209 444238198 /nfs/dbraw/zinc/23/81/98/444238198.db2.gz SOALMWPDUCSPGX-CQSZACIVSA-N 2 1 339.484 1.244 20 30 EDEDMP C#Cc1ccc(CNC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000297714762 444322804 /nfs/dbraw/zinc/32/28/04/444322804.db2.gz SDFFEUMGDDLZNB-UHFFFAOYSA-N 2 1 342.487 1.835 20 30 EDEDMP O=C(C[N@H+]1CCSC[C@@H]1CCO)NC1CC[NH+](C2CC2)CC1 ZINC000329880767 444751451 /nfs/dbraw/zinc/75/14/51/444751451.db2.gz ACIYGEFKTJEKFO-HNNXBMFYSA-N 2 1 327.494 1.370 20 30 EDEDMP O=C(C[N@@H+]1CCSC[C@@H]1CCO)NC1CC[NH+](C2CC2)CC1 ZINC000329880767 444751455 /nfs/dbraw/zinc/75/14/55/444751455.db2.gz ACIYGEFKTJEKFO-HNNXBMFYSA-N 2 1 327.494 1.370 20 30 EDEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000364348947 445913384 /nfs/dbraw/zinc/91/33/84/445913384.db2.gz VGWBETBYRNTCDV-NOCIGQNYSA-N 2 1 348.491 1.274 20 30 EDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000364348947 445913386 /nfs/dbraw/zinc/91/33/86/445913386.db2.gz VGWBETBYRNTCDV-NOCIGQNYSA-N 2 1 348.491 1.274 20 30 EDEDMP CC[C@@H]([NH3+])CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418737519 446660029 /nfs/dbraw/zinc/66/00/29/446660029.db2.gz VSNZVIGCSJMCAO-QGZVFWFLSA-N 2 1 329.448 1.513 20 30 EDEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](CC(=O)N[C@](C)(C#N)C1CC1)CC2)C1CC1 ZINC000371329366 446778568 /nfs/dbraw/zinc/77/85/68/446778568.db2.gz HVOGZUMKPBNDJQ-QFBILLFUSA-N 2 1 344.503 1.991 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)CC1 ZINC000368752472 447085679 /nfs/dbraw/zinc/08/56/79/447085679.db2.gz ZUNBXKPQPNOKHA-UHFFFAOYSA-N 2 1 338.496 1.125 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000491554893 448057099 /nfs/dbraw/zinc/05/70/99/448057099.db2.gz NARQQLRFKSTEEV-AZUAARDMSA-N 2 1 330.472 1.986 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000491554893 448057103 /nfs/dbraw/zinc/05/71/03/448057103.db2.gz NARQQLRFKSTEEV-AZUAARDMSA-N 2 1 330.472 1.986 20 30 EDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(C#N)nc2)CC1 ZINC000528151496 448448146 /nfs/dbraw/zinc/44/81/46/448448146.db2.gz OKDZBCNCWSJSBL-UHFFFAOYSA-N 2 1 336.399 1.281 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2OC)CC1 ZINC000581006812 448962988 /nfs/dbraw/zinc/96/29/88/448962988.db2.gz RCZOHEHVGFBOFO-SFHVURJKSA-N 2 1 334.460 1.813 20 30 EDEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864203 449215796 /nfs/dbraw/zinc/21/57/96/449215796.db2.gz QXEFMQUFALVVSF-QGZVFWFLSA-N 2 1 342.443 1.418 20 30 EDEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595864203 449215802 /nfs/dbraw/zinc/21/58/02/449215802.db2.gz QXEFMQUFALVVSF-QGZVFWFLSA-N 2 1 342.443 1.418 20 30 EDEDMP C[NH+]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593508924 449316217 /nfs/dbraw/zinc/31/62/17/449316217.db2.gz JYDGUGBGCIOUSA-UHFFFAOYSA-N 2 1 341.459 1.480 20 30 EDEDMP C[NH+](C)CCC[N@H+](C)CCNc1ncc(Br)cc1C#N ZINC000596424746 449495455 /nfs/dbraw/zinc/49/54/55/449495455.db2.gz LAPCEVKVIYOCOH-UHFFFAOYSA-N 2 1 340.269 2.011 20 30 EDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ncc(Br)cc1C#N ZINC000596424746 449495461 /nfs/dbraw/zinc/49/54/61/449495461.db2.gz LAPCEVKVIYOCOH-UHFFFAOYSA-N 2 1 340.269 2.011 20 30 EDEDMP C#CCOc1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178670095 527115881 /nfs/dbraw/zinc/11/58/81/527115881.db2.gz TVVAELXROSRWBA-INIZCTEOSA-N 2 1 329.444 1.513 20 30 EDEDMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CCN(C(C)=O)CC1 ZINC000263258151 535264457 /nfs/dbraw/zinc/26/44/57/535264457.db2.gz RRHKXFNOAAUNNR-HOTGVXAUSA-N 2 1 337.512 1.379 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000730095652 578613680 /nfs/dbraw/zinc/61/36/80/578613680.db2.gz CVOYJKUEOZPBJN-IBGZPJMESA-N 2 1 325.456 1.996 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000730095652 578613682 /nfs/dbraw/zinc/61/36/82/578613682.db2.gz CVOYJKUEOZPBJN-IBGZPJMESA-N 2 1 325.456 1.996 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000892564481 591074329 /nfs/dbraw/zinc/07/43/29/591074329.db2.gz HNVRCSSFLOOYCI-HDICACEKSA-N 2 1 341.459 1.513 20 30 EDEDMP N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[NH2+]CC[NH2+]CC1 ZINC000900368399 591998805 /nfs/dbraw/zinc/99/88/05/591998805.db2.gz DYIOEEAVBOTPPN-UHFFFAOYSA-N 2 1 335.333 1.523 20 30 EDEDMP N#CC1CCC(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CC1 ZINC000903459098 592171592 /nfs/dbraw/zinc/17/15/92/592171592.db2.gz BGFNRUXWGQEABB-UQVLAFNGSA-N 2 1 345.491 1.536 20 30 EDEDMP CCC(O)(CC)CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912507137 593101306 /nfs/dbraw/zinc/10/13/06/593101306.db2.gz VPVPHCHVVXVYSA-UHFFFAOYSA-N 2 1 342.528 1.594 20 30 EDEDMP COc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1C#N ZINC000816620733 593535584 /nfs/dbraw/zinc/53/55/84/593535584.db2.gz JBQHVLHUMKMITG-UHFFFAOYSA-N 2 1 344.459 1.649 20 30 EDEDMP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000852870098 595589471 /nfs/dbraw/zinc/58/94/71/595589471.db2.gz PPECGHJNBMUTAD-INIZCTEOSA-N 2 1 333.476 1.139 20 30 EDEDMP C[N@@H+](CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Cc1ccccc1 ZINC000884199730 598025653 /nfs/dbraw/zinc/02/56/53/598025653.db2.gz IDIQOJUKBMNQHZ-TVRKMHQQSA-N 2 1 326.444 1.374 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993359892 696005842 /nfs/dbraw/zinc/00/58/42/696005842.db2.gz DSEQIIMKZDBIDU-HZPDHXFCSA-N 2 1 333.480 1.604 20 30 EDEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001031666634 697450647 /nfs/dbraw/zinc/45/06/47/697450647.db2.gz QUUCHXCXPBRWOD-LJQANCHMSA-N 2 1 340.471 1.979 20 30 EDEDMP N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001031675380 697485116 /nfs/dbraw/zinc/48/51/16/697485116.db2.gz GKPSQOIDMGJBMT-LJQANCHMSA-N 2 1 338.455 1.448 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000921493805 697625966 /nfs/dbraw/zinc/62/59/66/697625966.db2.gz WJYWMOUNKKDKFL-QZTJIDSGSA-N 2 1 348.491 1.027 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001031740824 698312330 /nfs/dbraw/zinc/31/23/30/698312330.db2.gz KWIZUPJMCPSXND-PMACEKPBSA-N 2 1 337.467 1.820 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001031740824 698312331 /nfs/dbraw/zinc/31/23/31/698312331.db2.gz KWIZUPJMCPSXND-PMACEKPBSA-N 2 1 337.467 1.820 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cscn2)CC1 ZINC000940158155 700290077 /nfs/dbraw/zinc/29/00/77/700290077.db2.gz RWBFMENOOGDMJL-INIZCTEOSA-N 2 1 346.500 1.711 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cscn2)CC1 ZINC000940158155 700290080 /nfs/dbraw/zinc/29/00/80/700290080.db2.gz RWBFMENOOGDMJL-INIZCTEOSA-N 2 1 346.500 1.711 20 30 EDEDMP CC#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000996766318 703057923 /nfs/dbraw/zinc/05/79/23/703057923.db2.gz PTUNZDPGMJLPJZ-CTWPCTMYSA-N 2 1 346.519 1.149 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001033093755 704171216 /nfs/dbraw/zinc/17/12/16/704171216.db2.gz DINKBNICMRHREO-AYOQOUSVSA-N 2 1 340.471 1.931 20 30 EDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597684 704292749 /nfs/dbraw/zinc/29/27/49/704292749.db2.gz GIRMKLKTDZJNNX-XDNAFOTISA-N 2 1 333.476 1.206 20 30 EDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597684 704292752 /nfs/dbraw/zinc/29/27/52/704292752.db2.gz GIRMKLKTDZJNNX-XDNAFOTISA-N 2 1 333.476 1.206 20 30 EDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597684 704292755 /nfs/dbraw/zinc/29/27/55/704292755.db2.gz GIRMKLKTDZJNNX-XDNAFOTISA-N 2 1 333.476 1.206 20 30 EDEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001004383394 704362598 /nfs/dbraw/zinc/36/25/98/704362598.db2.gz YHZQPNJAAFVDQY-QZTJIDSGSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001004383394 704362600 /nfs/dbraw/zinc/36/26/00/704362600.db2.gz YHZQPNJAAFVDQY-QZTJIDSGSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004383394 704362602 /nfs/dbraw/zinc/36/26/02/704362602.db2.gz YHZQPNJAAFVDQY-QZTJIDSGSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004383394 704362603 /nfs/dbraw/zinc/36/26/03/704362603.db2.gz YHZQPNJAAFVDQY-QZTJIDSGSA-N 2 1 335.492 1.596 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](CCCO)CC2)CC1 ZINC000998197172 705502052 /nfs/dbraw/zinc/50/20/52/705502052.db2.gz KFCLGKAPYGTTHB-IBGZPJMESA-N 2 1 349.519 1.417 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC000998264901 705631239 /nfs/dbraw/zinc/63/12/39/705631239.db2.gz COUMYOCCDBJICI-UONOGXRCSA-N 2 1 331.382 1.473 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999390643 706903702 /nfs/dbraw/zinc/90/37/02/706903702.db2.gz GHMSKHXZMUBSOS-HOTGVXAUSA-N 2 1 339.430 1.710 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999390643 706903705 /nfs/dbraw/zinc/90/37/05/706903705.db2.gz GHMSKHXZMUBSOS-HOTGVXAUSA-N 2 1 339.430 1.710 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001033297037 707409380 /nfs/dbraw/zinc/40/93/80/707409380.db2.gz FNGMSONPTXWJEU-QZTJIDSGSA-N 2 1 335.492 1.596 20 30 EDEDMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001033421499 707834764 /nfs/dbraw/zinc/83/47/64/707834764.db2.gz YPYSGXNRMXMGBZ-QFBILLFUSA-N 2 1 340.471 1.933 20 30 EDEDMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001033421499 707834768 /nfs/dbraw/zinc/83/47/68/707834768.db2.gz YPYSGXNRMXMGBZ-QFBILLFUSA-N 2 1 340.471 1.933 20 30 EDEDMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001033421499 707834776 /nfs/dbraw/zinc/83/47/76/707834776.db2.gz YPYSGXNRMXMGBZ-QFBILLFUSA-N 2 1 340.471 1.933 20 30 EDEDMP CC#CC[NH+]1CCC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001001978835 708493857 /nfs/dbraw/zinc/49/38/57/708493857.db2.gz IQTITVZLJSFPMC-UHFFFAOYSA-N 2 1 337.427 1.732 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](CC(=C)Cl)CC2)CC1 ZINC001002144481 708657916 /nfs/dbraw/zinc/65/79/16/708657916.db2.gz GMMVMZPUJBBKJD-UHFFFAOYSA-N 2 1 337.895 1.912 20 30 EDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034395038 709932263 /nfs/dbraw/zinc/93/22/63/709932263.db2.gz UJQKMLGQNMMTES-IRXDYDNUSA-N 2 1 328.460 1.748 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034395038 709932266 /nfs/dbraw/zinc/93/22/66/709932266.db2.gz UJQKMLGQNMMTES-IRXDYDNUSA-N 2 1 328.460 1.748 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1 ZINC001034663805 710333099 /nfs/dbraw/zinc/33/30/99/710333099.db2.gz KPXFHBZDQNMTGQ-XSLAGTTESA-N 2 1 333.476 1.138 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1 ZINC001034663805 710333102 /nfs/dbraw/zinc/33/31/02/710333102.db2.gz KPXFHBZDQNMTGQ-XSLAGTTESA-N 2 1 333.476 1.138 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034664131 710333687 /nfs/dbraw/zinc/33/36/87/710333687.db2.gz VSKIPTPEFNDVGV-MKXGPGLRSA-N 2 1 347.503 1.528 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034664131 710333689 /nfs/dbraw/zinc/33/36/89/710333689.db2.gz VSKIPTPEFNDVGV-MKXGPGLRSA-N 2 1 347.503 1.528 20 30 EDEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001004468070 711842451 /nfs/dbraw/zinc/84/24/51/711842451.db2.gz GBPUFGMYRVCFTK-BPQIPLTHSA-N 2 1 335.492 1.595 20 30 EDEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001004468070 711842452 /nfs/dbraw/zinc/84/24/52/711842452.db2.gz GBPUFGMYRVCFTK-BPQIPLTHSA-N 2 1 335.492 1.595 20 30 EDEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004468070 711842455 /nfs/dbraw/zinc/84/24/55/711842455.db2.gz GBPUFGMYRVCFTK-BPQIPLTHSA-N 2 1 335.492 1.595 20 30 EDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004468070 711842456 /nfs/dbraw/zinc/84/24/56/711842456.db2.gz GBPUFGMYRVCFTK-BPQIPLTHSA-N 2 1 335.492 1.595 20 30 EDEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001004622748 712069300 /nfs/dbraw/zinc/06/93/00/712069300.db2.gz YZOBIIQEGWPGRR-MOPGFXCFSA-N 2 1 349.519 1.986 20 30 EDEDMP C=CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004622748 712069302 /nfs/dbraw/zinc/06/93/02/712069302.db2.gz YZOBIIQEGWPGRR-MOPGFXCFSA-N 2 1 349.519 1.986 20 30 EDEDMP C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001004622748 712069303 /nfs/dbraw/zinc/06/93/03/712069303.db2.gz YZOBIIQEGWPGRR-MOPGFXCFSA-N 2 1 349.519 1.986 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001004622748 712069304 /nfs/dbraw/zinc/06/93/04/712069304.db2.gz YZOBIIQEGWPGRR-MOPGFXCFSA-N 2 1 349.519 1.986 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033162536 712268745 /nfs/dbraw/zinc/26/87/45/712268745.db2.gz RSYBZSWWWBARPB-WMZOPIPTSA-N 2 1 345.512 1.921 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001033162536 712268747 /nfs/dbraw/zinc/26/87/47/712268747.db2.gz RSYBZSWWWBARPB-WMZOPIPTSA-N 2 1 345.512 1.921 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2cccs2)C1 ZINC001033162536 712268750 /nfs/dbraw/zinc/26/87/50/712268750.db2.gz RSYBZSWWWBARPB-WMZOPIPTSA-N 2 1 345.512 1.921 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2cccs2)C1 ZINC001033162536 712268753 /nfs/dbraw/zinc/26/87/53/712268753.db2.gz RSYBZSWWWBARPB-WMZOPIPTSA-N 2 1 345.512 1.921 20 30 EDEDMP C[N@@H+](CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000329300017 282379610 /nfs/dbraw/zinc/37/96/10/282379610.db2.gz VISXOZNPZVLVRU-IAGOWNOFSA-N 2 1 338.496 1.352 20 30 EDEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@H](C)c1cc2ccccc2o1 ZINC000088806241 441524515 /nfs/dbraw/zinc/52/45/15/441524515.db2.gz UPOUZKPIFXUTLB-GDBMZVCRSA-N 2 1 343.475 1.905 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(Cl)cc1F ZINC000186863048 442622408 /nfs/dbraw/zinc/62/24/08/442622408.db2.gz SUTDMQBMTGYKDI-UHFFFAOYSA-N 2 1 328.819 1.606 20 30 EDEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261855237 443172689 /nfs/dbraw/zinc/17/26/89/443172689.db2.gz YOVMLNPYXYXQLR-SMDDNHRTSA-N 2 1 332.477 1.544 20 30 EDEDMP CC[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261953260 443175566 /nfs/dbraw/zinc/17/55/66/443175566.db2.gz IANWEXROOCHJIU-CJNGLKHVSA-N 2 1 344.459 1.953 20 30 EDEDMP CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261975461 443177688 /nfs/dbraw/zinc/17/76/88/443177688.db2.gz NOYNXPIURONBFS-WFASDCNBSA-N 2 1 346.504 1.934 20 30 EDEDMP Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1C#N ZINC000190803828 443186403 /nfs/dbraw/zinc/18/64/03/443186403.db2.gz NPDBJESUEJFFAJ-UHFFFAOYSA-N 2 1 337.471 1.934 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000270579599 443476396 /nfs/dbraw/zinc/47/63/96/443476396.db2.gz PSFWVCBVQHXMMQ-SWLSCSKDSA-N 2 1 342.846 1.901 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000294073438 444100540 /nfs/dbraw/zinc/10/05/40/444100540.db2.gz WCZMISLQXZRYPG-UHFFFAOYSA-N 2 1 342.487 1.119 20 30 EDEDMP CC(C)NC(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303866594 444237680 /nfs/dbraw/zinc/23/76/80/444237680.db2.gz CNJLAILMQNOTLP-UHFFFAOYSA-N 2 1 327.473 1.242 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(-n2ccnc2)c1 ZINC000303972986 444238268 /nfs/dbraw/zinc/23/82/68/444238268.db2.gz GGPNPNHEARHLHW-OAHLLOKOSA-N 2 1 327.436 1.156 20 30 EDEDMP CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)C1=O ZINC000329174884 444492402 /nfs/dbraw/zinc/49/24/02/444492402.db2.gz LXAVTBPTHUCJLW-CVEARBPZSA-N 2 1 334.464 1.265 20 30 EDEDMP C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000329605825 444644863 /nfs/dbraw/zinc/64/48/63/444644863.db2.gz ZNGGPMQYUCVHDT-GASCZTMLSA-N 2 1 335.452 1.676 20 30 EDEDMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000329770580 444710755 /nfs/dbraw/zinc/71/07/55/444710755.db2.gz IYLMFKLOKJKZAX-BFYDXBDKSA-N 2 1 338.496 1.474 20 30 EDEDMP C=CCOCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000339063416 445015222 /nfs/dbraw/zinc/01/52/22/445015222.db2.gz XNFFQQJYGCKQBR-IRXDYDNUSA-N 2 1 326.481 1.779 20 30 EDEDMP N#CC1(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CC1 ZINC000343297736 445187939 /nfs/dbraw/zinc/18/79/39/445187939.db2.gz CTKXEIKKRAIDPV-UHFFFAOYSA-N 2 1 332.492 1.994 20 30 EDEDMP C#CC[C@@H](C)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363360666 445779943 /nfs/dbraw/zinc/77/99/43/445779943.db2.gz KPFYDTSGJCDURM-MRXNPFEDSA-N 2 1 334.508 1.894 20 30 EDEDMP Cn1cc(C[NH2+]CCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1C#N ZINC000365084467 446014582 /nfs/dbraw/zinc/01/45/82/446014582.db2.gz ITKYHCLWKQOFAA-FQEVSTJZSA-N 2 1 337.471 1.975 20 30 EDEDMP C=C[C@@H]1OCCC[C@H]1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000424498454 446885461 /nfs/dbraw/zinc/88/54/61/446885461.db2.gz AXXHZYDAYNGCEX-KURKYZTESA-N 2 1 337.508 1.842 20 30 EDEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000578885495 448663562 /nfs/dbraw/zinc/66/35/62/448663562.db2.gz CFSAMRVCZRYXCU-WMZOPIPTSA-N 2 1 343.475 1.334 20 30 EDEDMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CCO2 ZINC000592183759 448726493 /nfs/dbraw/zinc/72/64/93/448726493.db2.gz BKEYCQVJXLHORB-UHFFFAOYSA-N 2 1 342.443 1.683 20 30 EDEDMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594437021 449516206 /nfs/dbraw/zinc/51/62/06/449516206.db2.gz SHXVGJYNNMGKBP-IAGOWNOFSA-N 2 1 335.496 1.026 20 30 EDEDMP COc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1C#N ZINC000603228831 450159670 /nfs/dbraw/zinc/15/96/70/450159670.db2.gz INGQFGNQESZJDN-UHFFFAOYSA-N 2 1 340.431 1.172 20 30 EDEDMP C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1=O ZINC000684966869 487201892 /nfs/dbraw/zinc/20/18/92/487201892.db2.gz PMQMKBNAYZUSFZ-SFHVURJKSA-N 2 1 331.460 1.846 20 30 EDEDMP CCN(CC)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cn1 ZINC000104163496 528297696 /nfs/dbraw/zinc/29/76/96/528297696.db2.gz IMLUKDYCRWNPOB-UHFFFAOYSA-N 2 1 348.495 1.054 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N1CCc2sccc2C1 ZINC000104173572 529073203 /nfs/dbraw/zinc/07/32/03/529073203.db2.gz UBSLUSVYDSFKEK-GDBMZVCRSA-N 2 1 349.548 1.883 20 30 EDEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])Nc2ccc(OC)cc2)CC1 ZINC000264105504 535686446 /nfs/dbraw/zinc/68/64/46/535686446.db2.gz PIDNUFGSGGEQBR-UHFFFAOYSA-N 2 1 333.480 1.840 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000749656082 579733667 /nfs/dbraw/zinc/73/36/67/579733667.db2.gz UROIEHCMUDQLMW-LJQANCHMSA-N 2 1 340.471 1.461 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000749656082 579733668 /nfs/dbraw/zinc/73/36/68/579733668.db2.gz UROIEHCMUDQLMW-LJQANCHMSA-N 2 1 340.471 1.461 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000780398338 580521455 /nfs/dbraw/zinc/52/14/55/580521455.db2.gz OGWMYCVSPRJDAE-CFGKVWFZSA-N 2 1 337.467 1.942 20 30 EDEDMP C#CCN1CCN(C(=O)CN2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000780398338 580521456 /nfs/dbraw/zinc/52/14/56/580521456.db2.gz OGWMYCVSPRJDAE-CFGKVWFZSA-N 2 1 337.467 1.942 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000780398346 580521463 /nfs/dbraw/zinc/52/14/63/580521463.db2.gz OGWMYCVSPRJDAE-PISNEZEASA-N 2 1 337.467 1.942 20 30 EDEDMP C#CCN1CCN(C(=O)CN2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000780398346 580521464 /nfs/dbraw/zinc/52/14/64/580521464.db2.gz OGWMYCVSPRJDAE-PISNEZEASA-N 2 1 337.467 1.942 20 30 EDEDMP Cc1cc(N2CC[NH2+]CC[NH2+]CC2)n2c3ccccc3nc2c1C#N ZINC000900370032 591999153 /nfs/dbraw/zinc/99/91/53/591999153.db2.gz QTPFMIYOFVRKLZ-UHFFFAOYSA-N 2 1 334.427 1.667 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000900598596 592064885 /nfs/dbraw/zinc/06/48/85/592064885.db2.gz KBVCSRXACNMQDH-OAHLLOKOSA-N 2 1 337.464 1.028 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000900598596 592064888 /nfs/dbraw/zinc/06/48/88/592064888.db2.gz KBVCSRXACNMQDH-OAHLLOKOSA-N 2 1 337.464 1.028 20 30 EDEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC3(C#N)CC3)C2)[C@H]1C(C)C ZINC000905501897 592546034 /nfs/dbraw/zinc/54/60/34/592546034.db2.gz IENXDIIFJUSBRY-BMGDNIKJSA-N 2 1 335.492 1.501 20 30 EDEDMP CC(C)(C)NC(NCCC[NH+]1CCOCC1)=[NH+]C[C@H]1CCOC1 ZINC000912498781 593100787 /nfs/dbraw/zinc/10/07/87/593100787.db2.gz HDRWGQZMQZKABV-OAHLLOKOSA-N 2 1 326.485 1.079 20 30 EDEDMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000843116180 595290529 /nfs/dbraw/zinc/29/05/29/595290529.db2.gz WGTQLESWLXWQIO-QFBILLFUSA-N 2 1 340.427 1.236 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000845220075 595463676 /nfs/dbraw/zinc/46/36/76/595463676.db2.gz CCXHJJMBIAQEQE-IBGZPJMESA-N 2 1 342.487 1.510 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H]1Cc1ccccc1 ZINC000845220075 595463679 /nfs/dbraw/zinc/46/36/79/595463679.db2.gz CCXHJJMBIAQEQE-IBGZPJMESA-N 2 1 342.487 1.510 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000845220075 595463680 /nfs/dbraw/zinc/46/36/80/595463680.db2.gz CCXHJJMBIAQEQE-IBGZPJMESA-N 2 1 342.487 1.510 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000845220075 595463683 /nfs/dbraw/zinc/46/36/83/595463683.db2.gz CCXHJJMBIAQEQE-IBGZPJMESA-N 2 1 342.487 1.510 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000859003632 595946312 /nfs/dbraw/zinc/94/63/12/595946312.db2.gz SAOODNOIJQLUOK-MOPGFXCFSA-N 2 1 325.456 1.499 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000859003632 595946316 /nfs/dbraw/zinc/94/63/16/595946316.db2.gz SAOODNOIJQLUOK-MOPGFXCFSA-N 2 1 325.456 1.499 20 30 EDEDMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876774638 597334596 /nfs/dbraw/zinc/33/45/96/597334596.db2.gz BOEUCONMILYDQN-QAPCUYQASA-N 2 1 326.444 1.545 20 30 EDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCN2Cc3ccccc3C2)C1 ZINC000884102442 597995767 /nfs/dbraw/zinc/99/57/67/597995767.db2.gz CRULHIZSJFCGNQ-SFHVURJKSA-N 2 1 326.444 1.399 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCN2Cc3ccccc3C2)C1 ZINC000884102442 597995768 /nfs/dbraw/zinc/99/57/68/597995768.db2.gz CRULHIZSJFCGNQ-SFHVURJKSA-N 2 1 326.444 1.399 20 30 EDEDMP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1C#N ZINC001031579341 697274882 /nfs/dbraw/zinc/27/48/82/697274882.db2.gz FQXJNXXVEWFCKG-QGZVFWFLSA-N 2 1 342.443 1.209 20 30 EDEDMP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1C#N ZINC001031579341 697274883 /nfs/dbraw/zinc/27/48/83/697274883.db2.gz FQXJNXXVEWFCKG-QGZVFWFLSA-N 2 1 342.443 1.209 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccccc2)C1 ZINC001031741451 698316238 /nfs/dbraw/zinc/31/62/38/698316238.db2.gz ZIGMRDRXIVXTOS-IBGZPJMESA-N 2 1 325.456 1.375 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccccc2)C1 ZINC001031741451 698316240 /nfs/dbraw/zinc/31/62/40/698316240.db2.gz ZIGMRDRXIVXTOS-IBGZPJMESA-N 2 1 325.456 1.375 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943518993 698434652 /nfs/dbraw/zinc/43/46/52/698434652.db2.gz VFYZODYAXKPZLY-RDJZCZTQSA-N 2 1 333.480 1.461 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cccnc2)CC1 ZINC000940153644 700305228 /nfs/dbraw/zinc/30/52/28/700305228.db2.gz RCIMNOGHLXMUHT-SFHVURJKSA-N 2 1 340.471 1.650 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cccnc2)CC1 ZINC000940153644 700305230 /nfs/dbraw/zinc/30/52/30/700305230.db2.gz RCIMNOGHLXMUHT-SFHVURJKSA-N 2 1 340.471 1.650 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973832 701016118 /nfs/dbraw/zinc/01/61/18/701016118.db2.gz XNQOAATVNVSAHX-DLBZAZTESA-N 2 1 337.508 1.888 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973832 701016120 /nfs/dbraw/zinc/01/61/20/701016120.db2.gz XNQOAATVNVSAHX-DLBZAZTESA-N 2 1 337.508 1.888 20 30 EDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973832 701016122 /nfs/dbraw/zinc/01/61/22/701016122.db2.gz XNQOAATVNVSAHX-DLBZAZTESA-N 2 1 337.508 1.888 20 30 EDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973832 701016124 /nfs/dbraw/zinc/01/61/24/701016124.db2.gz XNQOAATVNVSAHX-DLBZAZTESA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058644 702509562 /nfs/dbraw/zinc/50/95/62/702509562.db2.gz ZRPYBKHMWATILL-HOTGVXAUSA-N 2 1 333.480 1.461 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942058645 702510135 /nfs/dbraw/zinc/51/01/35/702510135.db2.gz ZRPYBKHMWATILL-HZPDHXFCSA-N 2 1 333.480 1.461 20 30 EDEDMP CC#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000996802373 703088402 /nfs/dbraw/zinc/08/84/02/703088402.db2.gz MSMKEHCGAYOYGA-VIQWUECVSA-N 2 1 346.519 1.006 20 30 EDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000997007897 703265001 /nfs/dbraw/zinc/26/50/01/703265001.db2.gz ROQAMVHKSPSFEZ-MRXNPFEDSA-N 2 1 340.471 1.981 20 30 EDEDMP C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997003509 703267437 /nfs/dbraw/zinc/26/74/37/703267437.db2.gz AIYGTTCUDWTRNP-BXUZGUMPSA-N 2 1 344.297 1.673 20 30 EDEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC000997187973 703477714 /nfs/dbraw/zinc/47/77/14/703477714.db2.gz YFSRPIKYOLIWDI-INIZCTEOSA-N 2 1 340.471 1.981 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944945213 704798229 /nfs/dbraw/zinc/79/82/29/704798229.db2.gz QABVQTJNNUMJAQ-APWZRJJASA-N 2 1 340.471 1.981 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](C[C@@H](C)O)CC2)CC1 ZINC000998201503 705512721 /nfs/dbraw/zinc/51/27/21/705512721.db2.gz ZCGZZSYFHDVACH-IEBWSBKVSA-N 2 1 349.519 1.415 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](C[C@@H](C)O)CC2)CC1 ZINC000998201505 705512986 /nfs/dbraw/zinc/51/29/86/705512986.db2.gz ZCGZZSYFHDVACH-MJGOQNOKSA-N 2 1 349.519 1.415 20 30 EDEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CC1 ZINC001000249249 707954311 /nfs/dbraw/zinc/95/43/11/707954311.db2.gz QWYNIVGHMUBNIB-SFHVURJKSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CC1 ZINC001000249249 707954312 /nfs/dbraw/zinc/95/43/12/707954312.db2.gz QWYNIVGHMUBNIB-SFHVURJKSA-N 2 1 347.503 1.480 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033583675 708307979 /nfs/dbraw/zinc/30/79/79/708307979.db2.gz XVDJQLHIXUTIJI-LPHOPBHVSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033583675 708307983 /nfs/dbraw/zinc/30/79/83/708307983.db2.gz XVDJQLHIXUTIJI-LPHOPBHVSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033583675 708307987 /nfs/dbraw/zinc/30/79/87/708307987.db2.gz XVDJQLHIXUTIJI-LPHOPBHVSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033583675 708307989 /nfs/dbraw/zinc/30/79/89/708307989.db2.gz XVDJQLHIXUTIJI-LPHOPBHVSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033659273 708471025 /nfs/dbraw/zinc/47/10/25/708471025.db2.gz CTKGOQXAZFMINZ-IAGOWNOFSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033659273 708471027 /nfs/dbraw/zinc/47/10/27/708471027.db2.gz CTKGOQXAZFMINZ-IAGOWNOFSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001033659273 708471029 /nfs/dbraw/zinc/47/10/29/708471029.db2.gz CTKGOQXAZFMINZ-IAGOWNOFSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001033659273 708471030 /nfs/dbraw/zinc/47/10/30/708471030.db2.gz CTKGOQXAZFMINZ-IAGOWNOFSA-N 2 1 344.434 1.682 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cnc(C)o3)C2)CC1 ZINC001033684397 708497048 /nfs/dbraw/zinc/49/70/48/708497048.db2.gz ODIRLPWTRJTQPT-QGZVFWFLSA-N 2 1 344.459 1.361 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cnc(C)o3)C2)CC1 ZINC001033684397 708497051 /nfs/dbraw/zinc/49/70/51/708497051.db2.gz ODIRLPWTRJTQPT-QGZVFWFLSA-N 2 1 344.459 1.361 20 30 EDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033983093 709191892 /nfs/dbraw/zinc/19/18/92/709191892.db2.gz MGKLJRZFCPKNAJ-KRWDZBQOSA-N 2 1 331.464 1.004 20 30 EDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001003010366 709781060 /nfs/dbraw/zinc/78/10/60/709781060.db2.gz FVPUXVHNIBXENN-GOSISDBHSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001003056383 709905985 /nfs/dbraw/zinc/90/59/85/709905985.db2.gz QVMIQGMJHPYBJK-AEFFLSMTSA-N 2 1 333.476 1.091 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001003056383 709905986 /nfs/dbraw/zinc/90/59/86/709905986.db2.gz QVMIQGMJHPYBJK-AEFFLSMTSA-N 2 1 333.476 1.091 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOC2CCC2)CC1 ZINC001003056902 709906449 /nfs/dbraw/zinc/90/64/49/709906449.db2.gz VURTZBXSOXKQPQ-SFHVURJKSA-N 2 1 333.476 1.234 20 30 EDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623495 711922816 /nfs/dbraw/zinc/92/28/16/711922816.db2.gz KFUXQSDGNYOARZ-KSZLIROESA-N 2 1 340.471 1.954 20 30 EDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623495 711922817 /nfs/dbraw/zinc/92/28/17/711922817.db2.gz KFUXQSDGNYOARZ-KSZLIROESA-N 2 1 340.471 1.954 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638394 712106764 /nfs/dbraw/zinc/10/67/64/712106764.db2.gz HLSSMMFIBIOECP-HDICACEKSA-N 2 1 329.488 1.666 20 30 EDEDMP [NH2+]=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262454101 249320681 /nfs/dbraw/zinc/32/06/81/249320681.db2.gz HCHXNYOUCNIULF-HNNXBMFYSA-N 2 1 342.422 1.474 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@H+](C)[C@@H]2CCc3ccccc3C2)CC1 ZINC000490759321 255105457 /nfs/dbraw/zinc/10/54/57/255105457.db2.gz CHSNPCWVCJFNJG-LJQANCHMSA-N 2 1 325.456 1.253 20 30 EDEDMP CN(C)c1nc(N2C[C@H](F)C[C@H]2C[NH2+]Cc2ccc(C#N)o2)cc[nH+]1 ZINC000354926314 150035171 /nfs/dbraw/zinc/03/51/71/150035171.db2.gz QPODFDOXKKBGDS-OLZOCXBDSA-N 2 1 344.394 1.714 20 30 EDEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@@H]3CNc4c(C#N)cnn4C3)C2)CC1 ZINC000518188170 267334502 /nfs/dbraw/zinc/33/45/02/267334502.db2.gz ZPZFEBIXWGXPHM-GOEBONIOSA-N 2 1 328.464 1.460 20 30 EDEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000076002992 441576234 /nfs/dbraw/zinc/57/62/34/441576234.db2.gz ISZMIHWZQUVLSL-ROUUACIJSA-N 2 1 331.460 1.962 20 30 EDEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000076002992 441576238 /nfs/dbraw/zinc/57/62/38/441576238.db2.gz ISZMIHWZQUVLSL-ROUUACIJSA-N 2 1 331.460 1.962 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN(c2ncccn2)C1 ZINC000093887805 441900147 /nfs/dbraw/zinc/90/01/47/441900147.db2.gz JTXYVNXHNDAIBL-HOTGVXAUSA-N 2 1 345.495 1.082 20 30 EDEDMP C=C(C)CN(CC)C(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119704729 441947553 /nfs/dbraw/zinc/94/75/53/441947553.db2.gz HVTJVJASMQQGMH-DFNIBXOVSA-N 2 1 348.535 1.654 20 30 EDEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000129136434 442302617 /nfs/dbraw/zinc/30/26/17/442302617.db2.gz ZDTKZSMURIMKHY-QGZVFWFLSA-N 2 1 342.443 1.541 20 30 EDEDMP CSCc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000187851962 442695123 /nfs/dbraw/zinc/69/51/23/442695123.db2.gz AZFKSQIQLPDFNT-UHFFFAOYSA-N 2 1 336.505 1.676 20 30 EDEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)C[C@H](C)O1 ZINC000264113967 443249893 /nfs/dbraw/zinc/24/98/93/443249893.db2.gz PMCRNONIRHFPPZ-IYBDPMFKSA-N 2 1 346.475 1.443 20 30 EDEDMP CC1CCN(C(=[NH2+])NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000264129028 443251685 /nfs/dbraw/zinc/25/16/85/443251685.db2.gz XGXLOCOBCVIECZ-UHFFFAOYSA-N 2 1 330.480 1.380 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(C(F)(F)F)c1 ZINC000264153347 443253911 /nfs/dbraw/zinc/25/39/11/443253911.db2.gz ZWXIGYDLBWDZSW-UHFFFAOYSA-N 2 1 344.381 1.832 20 30 EDEDMP CC[N@@H+](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C1CC1 ZINC000269679854 443393386 /nfs/dbraw/zinc/39/33/86/443393386.db2.gz KWNQDFCTDWRYCW-UHFFFAOYSA-N 2 1 328.460 1.933 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCC1Cc2ccccc2C1 ZINC000270111952 443460086 /nfs/dbraw/zinc/46/00/86/443460086.db2.gz JTBPYRJKFRJELU-UHFFFAOYSA-N 2 1 330.476 1.418 20 30 EDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)C(C)C ZINC000264894052 443469862 /nfs/dbraw/zinc/46/98/62/443469862.db2.gz KJGBSVGFGRVGPQ-ROUUACIJSA-N 2 1 336.524 1.437 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000293885071 444094557 /nfs/dbraw/zinc/09/45/57/444094557.db2.gz DAPLEBKMIZSQTI-SFHVURJKSA-N 2 1 331.435 1.861 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000293885071 444094560 /nfs/dbraw/zinc/09/45/60/444094560.db2.gz DAPLEBKMIZSQTI-SFHVURJKSA-N 2 1 331.435 1.861 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000293885071 444094562 /nfs/dbraw/zinc/09/45/62/444094562.db2.gz DAPLEBKMIZSQTI-SFHVURJKSA-N 2 1 331.435 1.861 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000293885071 444094567 /nfs/dbraw/zinc/09/45/67/444094567.db2.gz DAPLEBKMIZSQTI-SFHVURJKSA-N 2 1 331.435 1.861 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000296653796 444245361 /nfs/dbraw/zinc/24/53/61/444245361.db2.gz UACSIDATXLNQIB-UHFFFAOYSA-N 2 1 342.487 1.689 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000296653796 444245363 /nfs/dbraw/zinc/24/53/63/444245363.db2.gz UACSIDATXLNQIB-UHFFFAOYSA-N 2 1 342.487 1.689 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000296653796 444245365 /nfs/dbraw/zinc/24/53/65/444245365.db2.gz UACSIDATXLNQIB-UHFFFAOYSA-N 2 1 342.487 1.689 20 30 EDEDMP N#Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000325808320 444369557 /nfs/dbraw/zinc/36/95/57/444369557.db2.gz OWSBAAKBNPENLZ-MSOLQXFVSA-N 2 1 326.444 1.638 20 30 EDEDMP CC[C@@]1(CO)CCC[NH+](CC#CC[N@@H+]2CCC[C@@](CC)(CO)C2)C1 ZINC000342150654 444536177 /nfs/dbraw/zinc/53/61/77/444536177.db2.gz AVSMKLFSTLUBGJ-WOJBJXKFSA-N 2 1 336.520 1.959 20 30 EDEDMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1C ZINC000330158799 444867371 /nfs/dbraw/zinc/86/73/71/444867371.db2.gz ZYHGJHUEFSRNNL-DZGCQCFKSA-N 2 1 334.468 1.316 20 30 EDEDMP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1C ZINC000330158799 444867374 /nfs/dbraw/zinc/86/73/74/444867374.db2.gz ZYHGJHUEFSRNNL-DZGCQCFKSA-N 2 1 334.468 1.316 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000357814284 445584144 /nfs/dbraw/zinc/58/41/44/445584144.db2.gz CADCVMBPIBDYAG-BQFCYCMXSA-N 2 1 337.508 1.887 20 30 EDEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000369195363 445984487 /nfs/dbraw/zinc/98/44/87/445984487.db2.gz AFZDWVDUXSMEFG-QGZVFWFLSA-N 2 1 348.491 1.325 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000369195363 445984491 /nfs/dbraw/zinc/98/44/91/445984491.db2.gz AFZDWVDUXSMEFG-QGZVFWFLSA-N 2 1 348.491 1.325 20 30 EDEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367309814 446536069 /nfs/dbraw/zinc/53/60/69/446536069.db2.gz KYGHXLPUWHLENS-CVEARBPZSA-N 2 1 332.492 1.943 20 30 EDEDMP C#CCNC(=O)CC[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000491419598 448022482 /nfs/dbraw/zinc/02/24/82/448022482.db2.gz VIMNROMRPIZOHG-MRXNPFEDSA-N 2 1 329.444 1.136 20 30 EDEDMP C#CCNC(=O)CC[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000491419598 448022483 /nfs/dbraw/zinc/02/24/83/448022483.db2.gz VIMNROMRPIZOHG-MRXNPFEDSA-N 2 1 329.444 1.136 20 30 EDEDMP C#CCNC(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000491475133 448036917 /nfs/dbraw/zinc/03/69/17/448036917.db2.gz TYBDHUYMUYMEPN-MRXNPFEDSA-N 2 1 333.501 1.950 20 30 EDEDMP C#CCNC(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000491475133 448036924 /nfs/dbraw/zinc/03/69/24/448036924.db2.gz TYBDHUYMUYMEPN-MRXNPFEDSA-N 2 1 333.501 1.950 20 30 EDEDMP C#CCNC(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000491475133 448036928 /nfs/dbraw/zinc/03/69/28/448036928.db2.gz TYBDHUYMUYMEPN-MRXNPFEDSA-N 2 1 333.501 1.950 20 30 EDEDMP CC(C)[C@@H]1C[N@@H+](C)CCN1CC#CCN1CC[NH+](C)C[C@@H]1C(C)C ZINC000579584688 448827685 /nfs/dbraw/zinc/82/76/85/448827685.db2.gz JPXJRJWQGXLDGA-BGYRXZFFSA-N 2 1 334.552 1.534 20 30 EDEDMP CC(C)[C@@H]1C[NH+](C)CCN1CC#CCN1CC[N@H+](C)C[C@@H]1C(C)C ZINC000579584688 448827688 /nfs/dbraw/zinc/82/76/88/448827688.db2.gz JPXJRJWQGXLDGA-BGYRXZFFSA-N 2 1 334.552 1.534 20 30 EDEDMP CC(C)[C@@H]1C[NH+](C)CCN1CC#CCN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000579584688 448827690 /nfs/dbraw/zinc/82/76/90/448827690.db2.gz JPXJRJWQGXLDGA-BGYRXZFFSA-N 2 1 334.552 1.534 20 30 EDEDMP N#CCN1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000601963112 449249061 /nfs/dbraw/zinc/24/90/61/449249061.db2.gz CAIHLTGDPTYNMF-LJQANCHMSA-N 2 1 328.460 1.201 20 30 EDEDMP N#CCN1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000601963112 449249064 /nfs/dbraw/zinc/24/90/64/449249064.db2.gz CAIHLTGDPTYNMF-LJQANCHMSA-N 2 1 328.460 1.201 20 30 EDEDMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC2)CC1 ZINC000598621016 449499070 /nfs/dbraw/zinc/49/90/70/449499070.db2.gz DHUAWYGEGJIAKH-SFHVURJKSA-N 2 1 336.524 1.779 20 30 EDEDMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000617574359 449693485 /nfs/dbraw/zinc/69/34/85/449693485.db2.gz DUSDHEHKIBATBI-QZTJIDSGSA-N 2 1 331.460 1.908 20 30 EDEDMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000617574359 449693493 /nfs/dbraw/zinc/69/34/93/449693493.db2.gz DUSDHEHKIBATBI-QZTJIDSGSA-N 2 1 331.460 1.908 20 30 EDEDMP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003757 528692826 /nfs/dbraw/zinc/69/28/26/528692826.db2.gz SQKCJGZZYXCAMB-HZPDHXFCSA-N 2 1 331.464 1.683 20 30 EDEDMP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003757 528692829 /nfs/dbraw/zinc/69/28/29/528692829.db2.gz SQKCJGZZYXCAMB-HZPDHXFCSA-N 2 1 331.464 1.683 20 30 EDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)C1 ZINC000264070985 534948996 /nfs/dbraw/zinc/94/89/96/534948996.db2.gz DDQPEXJBIISTAN-OAHLLOKOSA-N 2 1 334.464 1.840 20 30 EDEDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)C#N ZINC000777818706 580451265 /nfs/dbraw/zinc/45/12/65/580451265.db2.gz IXBWOAILGXPRMD-OAHLLOKOSA-N 2 1 344.525 1.214 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)C#N ZINC000777818706 580451266 /nfs/dbraw/zinc/45/12/66/580451266.db2.gz IXBWOAILGXPRMD-OAHLLOKOSA-N 2 1 344.525 1.214 20 30 EDEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC(=O)NCCC#N)CC2)CC1 ZINC000750835251 579783259 /nfs/dbraw/zinc/78/32/59/579783259.db2.gz LCSXTNSWTSXVHJ-UHFFFAOYSA-N 2 1 349.523 1.144 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000764009791 580110908 /nfs/dbraw/zinc/11/09/08/580110908.db2.gz KFZFSPZJPHJQRY-UHFFFAOYSA-N 2 1 326.444 1.710 20 30 EDEDMP CCOCCC[N@@H+]1CCC(=NNCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000799491562 581029485 /nfs/dbraw/zinc/02/94/85/581029485.db2.gz JBBVUYGTHKOTJE-KRWDZBQOSA-N 2 1 340.512 1.423 20 30 EDEDMP CCOCCC[N@H+]1CCC(=NNCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000799491562 581029486 /nfs/dbraw/zinc/02/94/86/581029486.db2.gz JBBVUYGTHKOTJE-KRWDZBQOSA-N 2 1 340.512 1.423 20 30 EDEDMP CO[C@@H](CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C)C(C)C ZINC000912505647 593101411 /nfs/dbraw/zinc/10/14/11/593101411.db2.gz BTKUPEZXBAJZCT-INIZCTEOSA-N 2 1 342.528 1.713 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC ZINC000840517466 595258581 /nfs/dbraw/zinc/25/85/81/595258581.db2.gz LMDQDZFWOAACRD-RTBURBONSA-N 2 1 345.487 1.758 20 30 EDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)n3ncc(C#N)c3N)CC2)CC1 ZINC000848369345 595369937 /nfs/dbraw/zinc/36/99/37/595369937.db2.gz JQXGDASDEKKZKP-UHFFFAOYSA-N 2 1 330.436 1.173 20 30 EDEDMP CCOCCC[N@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000852868268 595587662 /nfs/dbraw/zinc/58/76/62/595587662.db2.gz BPYDJEZCLDHXDD-WMZOPIPTSA-N 2 1 335.492 1.243 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000856355494 595962682 /nfs/dbraw/zinc/96/26/82/595962682.db2.gz RYECRTDLARKUBU-IBGZPJMESA-N 2 1 325.456 1.722 20 30 EDEDMP Cc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1C#N ZINC000866711336 596305148 /nfs/dbraw/zinc/30/51/48/596305148.db2.gz IIKQZZLPEZVOKI-ZACQAIPSSA-N 2 1 326.400 1.234 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000883131634 597661953 /nfs/dbraw/zinc/66/19/53/597661953.db2.gz KZHHCQYUCXKEHQ-UHFFFAOYSA-N 2 1 340.427 1.893 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000883131634 597661955 /nfs/dbraw/zinc/66/19/55/597661955.db2.gz KZHHCQYUCXKEHQ-UHFFFAOYSA-N 2 1 340.427 1.893 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993368179 696016702 /nfs/dbraw/zinc/01/67/02/696016702.db2.gz RVEUJIRZTYLIHQ-HZPDHXFCSA-N 2 1 333.480 1.604 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941534400 701573796 /nfs/dbraw/zinc/57/37/96/701573796.db2.gz YFDRXMOGZSXHNR-IRXDYDNUSA-N 2 1 334.508 1.121 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941534400 701573797 /nfs/dbraw/zinc/57/37/97/701573797.db2.gz YFDRXMOGZSXHNR-IRXDYDNUSA-N 2 1 334.508 1.121 20 30 EDEDMP C=C(C)CN1CC(N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941566332 701585131 /nfs/dbraw/zinc/58/51/31/701585131.db2.gz BSLSGAAFWOHZNA-UHFFFAOYSA-N 2 1 334.508 1.123 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941566332 701585133 /nfs/dbraw/zinc/58/51/33/701585133.db2.gz BSLSGAAFWOHZNA-UHFFFAOYSA-N 2 1 334.508 1.123 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603228 701593454 /nfs/dbraw/zinc/59/34/54/701593454.db2.gz GNKIZFJXQOQDGT-PKOBYXMFSA-N 2 1 346.519 1.408 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603228 701593455 /nfs/dbraw/zinc/59/34/55/701593455.db2.gz GNKIZFJXQOQDGT-PKOBYXMFSA-N 2 1 346.519 1.408 20 30 EDEDMP C#Cc1cccc(NC(=O)CNC(N[C@H]2CC[N@@H+](C3CC3)C2)=[NH+]C)c1 ZINC000083125469 700462246 /nfs/dbraw/zinc/46/22/46/700462246.db2.gz RACQEUNDLFSALH-INIZCTEOSA-N 2 1 339.443 1.008 20 30 EDEDMP C#Cc1cccc(NC(=O)CNC(N[C@H]2CC[N@H+](C3CC3)C2)=[NH+]C)c1 ZINC000083125469 700462247 /nfs/dbraw/zinc/46/22/47/700462247.db2.gz RACQEUNDLFSALH-INIZCTEOSA-N 2 1 339.443 1.008 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941437353 701540391 /nfs/dbraw/zinc/54/03/91/701540391.db2.gz YYSZKDYRPNUHOL-QGZVFWFLSA-N 2 1 343.475 1.165 20 30 EDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942055956 702503465 /nfs/dbraw/zinc/50/34/65/702503465.db2.gz DANCFMQZUQOVTO-HOTGVXAUSA-N 2 1 333.480 1.461 20 30 EDEDMP C=CCN1CC[NH+](C2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000996788973 703081453 /nfs/dbraw/zinc/08/14/53/703081453.db2.gz NCYSVVSGORFXJF-LMDPOFIKSA-N 2 1 348.535 1.559 20 30 EDEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408776 703436486 /nfs/dbraw/zinc/43/64/86/703436486.db2.gz HNZMQTQJBGEYBU-FJIDUMEYSA-N 2 1 333.476 1.204 20 30 EDEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408776 703436488 /nfs/dbraw/zinc/43/64/88/703436488.db2.gz HNZMQTQJBGEYBU-FJIDUMEYSA-N 2 1 333.476 1.204 20 30 EDEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997276803 703536032 /nfs/dbraw/zinc/53/60/32/703536032.db2.gz MTABRUKLWDGVAF-QAPCUYQASA-N 2 1 342.487 1.994 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC000997296919 703555673 /nfs/dbraw/zinc/55/56/73/703555673.db2.gz CGAIAWBAOAQEQD-QGZVFWFLSA-N 2 1 326.444 1.591 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](OC)C1CCC1 ZINC001032453818 703631046 /nfs/dbraw/zinc/63/10/46/703631046.db2.gz PKKRFLGPHAVIAM-VJANTYMQSA-N 2 1 345.487 1.184 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](OC)C1CCC1 ZINC001032453818 703631048 /nfs/dbraw/zinc/63/10/48/703631048.db2.gz PKKRFLGPHAVIAM-VJANTYMQSA-N 2 1 345.487 1.184 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](OC)C1CCC1 ZINC001032453818 703631049 /nfs/dbraw/zinc/63/10/49/703631049.db2.gz PKKRFLGPHAVIAM-VJANTYMQSA-N 2 1 345.487 1.184 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](OC)C1CCC1 ZINC001032453818 703631051 /nfs/dbraw/zinc/63/10/51/703631051.db2.gz PKKRFLGPHAVIAM-VJANTYMQSA-N 2 1 345.487 1.184 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@@H]1CCCCO1 ZINC001032453985 703640063 /nfs/dbraw/zinc/64/00/63/703640063.db2.gz YNMFVFNNYJYBLY-VJANTYMQSA-N 2 1 345.487 1.328 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@@H]1CCCCO1 ZINC001032453985 703640064 /nfs/dbraw/zinc/64/00/64/703640064.db2.gz YNMFVFNNYJYBLY-VJANTYMQSA-N 2 1 345.487 1.328 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCCCO1 ZINC001032453985 703640065 /nfs/dbraw/zinc/64/00/65/703640065.db2.gz YNMFVFNNYJYBLY-VJANTYMQSA-N 2 1 345.487 1.328 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CCCCO1 ZINC001032453985 703640066 /nfs/dbraw/zinc/64/00/66/703640066.db2.gz YNMFVFNNYJYBLY-VJANTYMQSA-N 2 1 345.487 1.328 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cncs3)CC2)CC1 ZINC001004201261 703928667 /nfs/dbraw/zinc/92/86/67/703928667.db2.gz LGTDANGKNTXVRQ-UHFFFAOYSA-N 2 1 346.500 1.569 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001004378523 704354245 /nfs/dbraw/zinc/35/42/45/704354245.db2.gz GSPATLKHITUWQN-ZWKOTPCHSA-N 2 1 335.492 1.596 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001004378523 704354247 /nfs/dbraw/zinc/35/42/47/704354247.db2.gz GSPATLKHITUWQN-ZWKOTPCHSA-N 2 1 335.492 1.596 20 30 EDEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004378523 704354249 /nfs/dbraw/zinc/35/42/49/704354249.db2.gz GSPATLKHITUWQN-ZWKOTPCHSA-N 2 1 335.492 1.596 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004378523 704354251 /nfs/dbraw/zinc/35/42/51/704354251.db2.gz GSPATLKHITUWQN-ZWKOTPCHSA-N 2 1 335.492 1.596 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC000998795620 706242677 /nfs/dbraw/zinc/24/26/77/706242677.db2.gz KAPHQGZMOAVKRM-YOODTLSXSA-N 2 1 340.471 1.977 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccc2)C1 ZINC000998922092 706349978 /nfs/dbraw/zinc/34/99/78/706349978.db2.gz FKSAPRVKPBQUDW-ACBHZAAOSA-N 2 1 325.456 1.863 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccccc2)C1 ZINC000998922092 706349982 /nfs/dbraw/zinc/34/99/82/706349982.db2.gz FKSAPRVKPBQUDW-ACBHZAAOSA-N 2 1 325.456 1.863 20 30 EDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033442401 707873659 /nfs/dbraw/zinc/87/36/59/707873659.db2.gz OBBUQKAUYATOEK-OTWHNJEPSA-N 2 1 325.456 1.498 20 30 EDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033442401 707873662 /nfs/dbraw/zinc/87/36/62/707873662.db2.gz OBBUQKAUYATOEK-OTWHNJEPSA-N 2 1 325.456 1.498 20 30 EDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033442401 707873665 /nfs/dbraw/zinc/87/36/65/707873665.db2.gz OBBUQKAUYATOEK-OTWHNJEPSA-N 2 1 325.456 1.498 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001034043490 709295006 /nfs/dbraw/zinc/29/50/06/709295006.db2.gz VSZXEVIEBVSKEQ-MOPGFXCFSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001034043490 709295008 /nfs/dbraw/zinc/29/50/08/709295008.db2.gz VSZXEVIEBVSKEQ-MOPGFXCFSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001034043490 709295010 /nfs/dbraw/zinc/29/50/10/709295010.db2.gz VSZXEVIEBVSKEQ-MOPGFXCFSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001034043490 709295012 /nfs/dbraw/zinc/29/50/12/709295012.db2.gz VSZXEVIEBVSKEQ-MOPGFXCFSA-N 2 1 340.471 1.933 20 30 EDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034239744 709622829 /nfs/dbraw/zinc/62/28/29/709622829.db2.gz DNPULUAJOVFBFR-HKUYNNGSSA-N 2 1 347.503 1.624 20 30 EDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034239744 709622832 /nfs/dbraw/zinc/62/28/32/709622832.db2.gz DNPULUAJOVFBFR-HKUYNNGSSA-N 2 1 347.503 1.624 20 30 EDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034239744 709622834 /nfs/dbraw/zinc/62/28/34/709622834.db2.gz DNPULUAJOVFBFR-HKUYNNGSSA-N 2 1 347.503 1.624 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC(OCC)C2)CC1 ZINC001003055050 709876250 /nfs/dbraw/zinc/87/62/50/709876250.db2.gz FJOUHNOWEBHQTM-KVZIAJEVSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC(OCC)C2)CC1 ZINC001003055050 709876256 /nfs/dbraw/zinc/87/62/56/709876256.db2.gz FJOUHNOWEBHQTM-KVZIAJEVSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034664200 710333718 /nfs/dbraw/zinc/33/37/18/710333718.db2.gz YICGKFUEPARXQZ-MKXGPGLRSA-N 2 1 347.503 1.528 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034664200 710333720 /nfs/dbraw/zinc/33/37/20/710333720.db2.gz YICGKFUEPARXQZ-MKXGPGLRSA-N 2 1 347.503 1.528 20 30 EDEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001004523646 711924101 /nfs/dbraw/zinc/92/41/01/711924101.db2.gz SXAMAQWKYJEJME-OALUTQOASA-N 2 1 349.519 1.985 20 30 EDEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001004523646 711924102 /nfs/dbraw/zinc/92/41/02/711924102.db2.gz SXAMAQWKYJEJME-OALUTQOASA-N 2 1 349.519 1.985 20 30 EDEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004523646 711924105 /nfs/dbraw/zinc/92/41/05/711924105.db2.gz SXAMAQWKYJEJME-OALUTQOASA-N 2 1 349.519 1.985 20 30 EDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004523646 711924107 /nfs/dbraw/zinc/92/41/07/711924107.db2.gz SXAMAQWKYJEJME-OALUTQOASA-N 2 1 349.519 1.985 20 30 EDEDMP C[NH+]=C(NCCc1c[nH]c2cc(F)ccc12)NC[C@@H]1CC[N@@H+](C)C1 ZINC000262894084 249324522 /nfs/dbraw/zinc/32/45/22/249324522.db2.gz XBEOHRUGCDPYAX-ZDUSSCGKSA-N 2 1 331.439 1.966 20 30 EDEDMP CC1CCN(C(=[NH2+])NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000264070933 249331022 /nfs/dbraw/zinc/33/10/22/249331022.db2.gz DCUPQCFPCFTISK-UHFFFAOYSA-N 2 1 344.507 1.640 20 30 EDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374853784 250274545 /nfs/dbraw/zinc/27/45/45/250274545.db2.gz LHLSQNGRHHZUTK-INIZCTEOSA-N 2 1 343.475 1.990 20 30 EDEDMP COc1cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)ccc1C#N ZINC000333120544 141267270 /nfs/dbraw/zinc/26/72/70/141267270.db2.gz ICWJIEOZQXHTOK-SJORKVTESA-N 2 1 327.428 1.767 20 30 EDEDMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)[N@H+](C)C1 ZINC000329150078 286079762 /nfs/dbraw/zinc/07/97/62/286079762.db2.gz ZGUBRFBIAOKSHJ-NXNVCVFFSA-N 2 1 349.479 1.479 20 30 EDEDMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)[N@@H+](C)C1 ZINC000329150078 286079764 /nfs/dbraw/zinc/07/97/64/286079764.db2.gz ZGUBRFBIAOKSHJ-NXNVCVFFSA-N 2 1 349.479 1.479 20 30 EDEDMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)[NH+](C)C1 ZINC000329150078 286079765 /nfs/dbraw/zinc/07/97/65/286079765.db2.gz ZGUBRFBIAOKSHJ-NXNVCVFFSA-N 2 1 349.479 1.479 20 30 EDEDMP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)[NH+](C)C1 ZINC000329150078 286079766 /nfs/dbraw/zinc/07/97/66/286079766.db2.gz ZGUBRFBIAOKSHJ-NXNVCVFFSA-N 2 1 349.479 1.479 20 30 EDEDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000367623501 154201419 /nfs/dbraw/zinc/20/14/19/154201419.db2.gz OUNGAQZHYIFCDI-QUCCMNQESA-N 2 1 342.487 1.551 20 30 EDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)[NH+]2CCCCCC2)c1C#N ZINC000089676200 287321991 /nfs/dbraw/zinc/32/19/91/287321991.db2.gz YFDZJXXLNABSTM-ZDUSSCGKSA-N 2 1 332.452 1.636 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000066922218 441587540 /nfs/dbraw/zinc/58/75/40/441587540.db2.gz DTXGKSOVMMDRCO-UHFFFAOYSA-N 2 1 345.512 1.780 20 30 EDEDMP C[NH+]=C(NC[C@@H]1CCCO1)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000262426105 443194107 /nfs/dbraw/zinc/19/41/07/443194107.db2.gz RQSOUPATYLXXNQ-KRWDZBQOSA-N 2 1 330.476 1.430 20 30 EDEDMP CCN(CC)C(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267451743 443461915 /nfs/dbraw/zinc/46/19/15/443461915.db2.gz RQORVTCCGJQRLN-QGZVFWFLSA-N 2 1 345.491 1.540 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cccc2[nH]ccc21 ZINC000283778449 443716578 /nfs/dbraw/zinc/71/65/78/443716578.db2.gz KMWABDQSAIFRFH-UHFFFAOYSA-N 2 1 329.448 1.337 20 30 EDEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000277131174 443916464 /nfs/dbraw/zinc/91/64/64/443916464.db2.gz IJVROTPDAADMRF-UHFFFAOYSA-N 2 1 344.463 1.813 20 30 EDEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000277131174 443916468 /nfs/dbraw/zinc/91/64/68/443916468.db2.gz IJVROTPDAADMRF-UHFFFAOYSA-N 2 1 344.463 1.813 20 30 EDEDMP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000299545536 444076485 /nfs/dbraw/zinc/07/64/85/444076485.db2.gz PSMCNLYXWLCDHD-SFHVURJKSA-N 2 1 326.444 1.687 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000299545536 444076488 /nfs/dbraw/zinc/07/64/88/444076488.db2.gz PSMCNLYXWLCDHD-SFHVURJKSA-N 2 1 326.444 1.687 20 30 EDEDMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000299545536 444076490 /nfs/dbraw/zinc/07/64/90/444076490.db2.gz PSMCNLYXWLCDHD-SFHVURJKSA-N 2 1 326.444 1.687 20 30 EDEDMP C[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000299545536 444076494 /nfs/dbraw/zinc/07/64/94/444076494.db2.gz PSMCNLYXWLCDHD-SFHVURJKSA-N 2 1 326.444 1.687 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000296178646 444210549 /nfs/dbraw/zinc/21/05/49/444210549.db2.gz BCNCMOWWSBIEPM-KRWDZBQOSA-N 2 1 346.475 1.979 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000296402917 444227172 /nfs/dbraw/zinc/22/71/72/444227172.db2.gz IYXSCLGTOYXOSH-UHFFFAOYSA-N 2 1 342.487 1.340 20 30 EDEDMP CCOC(=O)N[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)CC(C)C ZINC000303888305 444237650 /nfs/dbraw/zinc/23/76/50/444237650.db2.gz OWAPZCKJUKSDKF-HUUCEWRRSA-N 2 1 341.500 1.536 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000297596854 444306195 /nfs/dbraw/zinc/30/61/95/444306195.db2.gz VNTCWTCRKQNZDT-GOSISDBHSA-N 2 1 346.475 1.552 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)nc(N2CCCC2)c1 ZINC000290746242 444318285 /nfs/dbraw/zinc/31/82/85/444318285.db2.gz XRZPWQJNHNVSET-KRWDZBQOSA-N 2 1 344.507 1.879 20 30 EDEDMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)NC1CCN(c2ccccn2)CC1 ZINC000329293501 444523763 /nfs/dbraw/zinc/52/37/63/444523763.db2.gz JHQGRHNEZXOVCD-HNNXBMFYSA-N 2 1 329.448 1.791 20 30 EDEDMP C[C@@H]1C[N@@H+](CCCNCc2cnc3ccc(C#N)cn23)CCCO1 ZINC000432361532 446462042 /nfs/dbraw/zinc/46/20/42/446462042.db2.gz YMTATICLKYCPHR-OAHLLOKOSA-N 2 1 327.432 1.796 20 30 EDEDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnc3ccc(C#N)cn23)CCCO1 ZINC000432361532 446462059 /nfs/dbraw/zinc/46/20/59/446462059.db2.gz YMTATICLKYCPHR-OAHLLOKOSA-N 2 1 327.432 1.796 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000458324340 447769220 /nfs/dbraw/zinc/76/92/20/447769220.db2.gz RCGCKYQXCQSINR-KRWDZBQOSA-N 2 1 338.496 1.173 20 30 EDEDMP CC1(C)C[N@@H+](CC#CC[NH+]2CC(C)(C)[C@@H]3COC[C@@H]32)[C@@H]2COC[C@@H]21 ZINC000452121183 447816845 /nfs/dbraw/zinc/81/68/45/447816845.db2.gz SJJOVECKNNJDGC-FZDBZEDMSA-N 2 1 332.488 1.703 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000491376389 448008970 /nfs/dbraw/zinc/00/89/70/448008970.db2.gz ZWIRTIRPBMKKON-QZTJIDSGSA-N 2 1 336.524 1.999 20 30 EDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1C#N ZINC000559928529 448211701 /nfs/dbraw/zinc/21/17/01/448211701.db2.gz BJRZRKOKQQFGRM-HNNXBMFYSA-N 2 1 332.452 1.635 20 30 EDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1C#N ZINC000559928529 448211702 /nfs/dbraw/zinc/21/17/02/448211702.db2.gz BJRZRKOKQQFGRM-HNNXBMFYSA-N 2 1 332.452 1.635 20 30 EDEDMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)CCO2 ZINC000592183231 448725441 /nfs/dbraw/zinc/72/54/41/448725441.db2.gz UBCLMVPVAAADFA-KRWDZBQOSA-N 2 1 345.443 1.095 20 30 EDEDMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)CCO2 ZINC000592183231 448725446 /nfs/dbraw/zinc/72/54/46/448725446.db2.gz UBCLMVPVAAADFA-KRWDZBQOSA-N 2 1 345.443 1.095 20 30 EDEDMP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000595978300 449294868 /nfs/dbraw/zinc/29/48/68/449294868.db2.gz UOWNCJCGBZRIOM-IRXDYDNUSA-N 2 1 335.496 1.025 20 30 EDEDMP CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000595978300 449294873 /nfs/dbraw/zinc/29/48/73/449294873.db2.gz UOWNCJCGBZRIOM-IRXDYDNUSA-N 2 1 335.496 1.025 20 30 EDEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000594441914 449521449 /nfs/dbraw/zinc/52/14/49/449521449.db2.gz YHJYRFIEWYJIRN-GOSISDBHSA-N 2 1 328.460 1.785 20 30 EDEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848416 449856305 /nfs/dbraw/zinc/85/63/05/449856305.db2.gz NGORMGQUXOADAF-OAHLLOKOSA-N 2 1 327.432 1.545 20 30 EDEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848416 449856309 /nfs/dbraw/zinc/85/63/09/449856309.db2.gz NGORMGQUXOADAF-OAHLLOKOSA-N 2 1 327.432 1.545 20 30 EDEDMP C=CC[C@@]1(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CCC[NH2+]1 ZINC000662789862 453523800 /nfs/dbraw/zinc/52/38/00/453523800.db2.gz DVVPJUIHKZXIOV-MJGOQNOKSA-N 2 1 334.508 1.313 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1cccc(C)c1 ZINC000264077178 535597478 /nfs/dbraw/zinc/59/74/78/535597478.db2.gz GDDFDOMBJSHPJV-INIZCTEOSA-N 2 1 331.464 1.113 20 30 EDEDMP C=C(C)C[C@@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000882901038 591726811 /nfs/dbraw/zinc/72/68/11/591726811.db2.gz YMFSEUZBANPZBG-KRWDZBQOSA-N 2 1 337.508 1.626 20 30 EDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819893 592333397 /nfs/dbraw/zinc/33/33/97/592333397.db2.gz PJKCXFWIHQHTCU-QGZVFWFLSA-N 2 1 345.443 1.142 20 30 EDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819893 592333401 /nfs/dbraw/zinc/33/34/01/592333401.db2.gz PJKCXFWIHQHTCU-QGZVFWFLSA-N 2 1 345.443 1.142 20 30 EDEDMP N#Cc1cc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000905704439 592617121 /nfs/dbraw/zinc/61/71/21/592617121.db2.gz UEXNOBQIBPODHT-CALCHBBNSA-N 2 1 341.415 1.871 20 30 EDEDMP CCOCCC[NH+]=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC(C)(C)C ZINC000912499614 593100734 /nfs/dbraw/zinc/10/07/34/593100734.db2.gz VOTSDRSLYCAZPI-HZPDHXFCSA-N 2 1 340.512 1.610 20 30 EDEDMP C[N@H+]1CCC[C@@H]1CNC(NCCCN1CCOCC1)=[NH+]C(C)(C)C ZINC000912506093 593101294 /nfs/dbraw/zinc/10/12/94/593101294.db2.gz IVTIMLSDQUGJFH-MRXNPFEDSA-N 2 1 339.528 1.137 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000844050186 595258602 /nfs/dbraw/zinc/25/86/02/595258602.db2.gz WJWKOHZKQVAVAZ-UXHICEINSA-N 2 1 339.483 1.793 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000851660858 595873146 /nfs/dbraw/zinc/87/31/46/595873146.db2.gz ALKZJUZPMBETJM-QZTJIDSGSA-N 2 1 328.460 1.386 20 30 EDEDMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000867945124 596628641 /nfs/dbraw/zinc/62/86/41/596628641.db2.gz RGIIGYGCRAQQGT-CCKFTAQKSA-N 2 1 340.471 1.934 20 30 EDEDMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867982520 596644196 /nfs/dbraw/zinc/64/41/96/596644196.db2.gz RXADKYORFAUGLB-SFHVURJKSA-N 2 1 328.460 1.839 20 30 EDEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158183 596816709 /nfs/dbraw/zinc/81/67/09/596816709.db2.gz ZDBJYXPVXNMJPY-GDBMZVCRSA-N 2 1 336.480 1.618 20 30 EDEDMP COCC[N@H+](Cc1cnc2ccc(C#N)cn12)CC1CC[NH+](C)CC1 ZINC000877665364 597546056 /nfs/dbraw/zinc/54/60/56/597546056.db2.gz SKWGVBXEFOUSEM-UHFFFAOYSA-N 2 1 341.459 1.996 20 30 EDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993365349 696013731 /nfs/dbraw/zinc/01/37/31/696013731.db2.gz MNGVGNRKSYSPAW-IRXDYDNUSA-N 2 1 347.507 1.994 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000941677901 701616217 /nfs/dbraw/zinc/61/62/17/701616217.db2.gz YHOCECGZQIXPHA-GOSISDBHSA-N 2 1 334.508 1.121 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000939745983 699911808 /nfs/dbraw/zinc/91/18/08/699911808.db2.gz FQZIXAWTOKCYCN-KDOFPFPSSA-N 2 1 337.427 1.700 20 30 EDEDMP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189939 706632647 /nfs/dbraw/zinc/63/26/47/706632647.db2.gz OQOWWFYPTSQIKG-MGPQQGTHSA-N 2 1 344.297 1.816 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3ccc(F)cc3)C2)CC1 ZINC001032205151 702048220 /nfs/dbraw/zinc/04/82/20/702048220.db2.gz PQMWVVNWIQJSST-UHFFFAOYSA-N 2 1 343.446 1.719 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2c(C)noc2C)CC1 ZINC000996684146 702981735 /nfs/dbraw/zinc/98/17/35/702981735.db2.gz GLDHAKKKRGFVCY-SFHVURJKSA-N 2 1 344.459 1.470 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2c(C)noc2C)CC1 ZINC000996684146 702981738 /nfs/dbraw/zinc/98/17/38/702981738.db2.gz GLDHAKKKRGFVCY-SFHVURJKSA-N 2 1 344.459 1.470 20 30 EDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032444467 703621480 /nfs/dbraw/zinc/62/14/80/703621480.db2.gz ZYYGHHJIQBBPFP-FHWLQOOXSA-N 2 1 347.503 1.881 20 30 EDEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032444467 703621482 /nfs/dbraw/zinc/62/14/82/703621482.db2.gz ZYYGHHJIQBBPFP-FHWLQOOXSA-N 2 1 347.503 1.881 20 30 EDEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001032444467 703621484 /nfs/dbraw/zinc/62/14/84/703621484.db2.gz ZYYGHHJIQBBPFP-FHWLQOOXSA-N 2 1 347.503 1.881 20 30 EDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997690478 704563034 /nfs/dbraw/zinc/56/30/34/704563034.db2.gz BHXVFVJEPPVVCO-BPOAAREJSA-N 2 1 347.503 1.642 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ocnc2C)C1 ZINC000999391252 706904170 /nfs/dbraw/zinc/90/41/70/706904170.db2.gz JNIBQHOMQNJXBN-HOTGVXAUSA-N 2 1 330.432 1.161 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ocnc2C)C1 ZINC000999391252 706904173 /nfs/dbraw/zinc/90/41/73/706904173.db2.gz JNIBQHOMQNJXBN-HOTGVXAUSA-N 2 1 330.432 1.161 20 30 EDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)CC[C@@H]2C1 ZINC000946728538 707253025 /nfs/dbraw/zinc/25/30/25/707253025.db2.gz FYFIUELNNMTVDE-CEXWTWQISA-N 2 1 331.504 1.912 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728538 707253030 /nfs/dbraw/zinc/25/30/30/707253030.db2.gz FYFIUELNNMTVDE-CEXWTWQISA-N 2 1 331.504 1.912 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)CC[C@@H]2C1 ZINC000946728538 707253035 /nfs/dbraw/zinc/25/30/35/707253035.db2.gz FYFIUELNNMTVDE-CEXWTWQISA-N 2 1 331.504 1.912 20 30 EDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946736583 707302948 /nfs/dbraw/zinc/30/29/48/707302948.db2.gz ZZKXIPAKQUVBDP-CADBVGFASA-N 2 1 331.504 1.910 20 30 EDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946736583 707302951 /nfs/dbraw/zinc/30/29/51/707302951.db2.gz ZZKXIPAKQUVBDP-CADBVGFASA-N 2 1 331.504 1.910 20 30 EDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946736583 707302955 /nfs/dbraw/zinc/30/29/55/707302955.db2.gz ZZKXIPAKQUVBDP-CADBVGFASA-N 2 1 331.504 1.910 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033488952 707983053 /nfs/dbraw/zinc/98/30/53/707983053.db2.gz BJIRAAWXWPGXTP-KRWDZBQOSA-N 2 1 333.480 1.557 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033933102 709103132 /nfs/dbraw/zinc/10/31/32/709103132.db2.gz YZKOFNKSGQIGGP-QZTJIDSGSA-N 2 1 337.508 1.985 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033933102 709103134 /nfs/dbraw/zinc/10/31/34/709103134.db2.gz YZKOFNKSGQIGGP-QZTJIDSGSA-N 2 1 337.508 1.985 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033933102 709103136 /nfs/dbraw/zinc/10/31/36/709103136.db2.gz YZKOFNKSGQIGGP-QZTJIDSGSA-N 2 1 337.508 1.985 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033933102 709103138 /nfs/dbraw/zinc/10/31/38/709103138.db2.gz YZKOFNKSGQIGGP-QZTJIDSGSA-N 2 1 337.508 1.985 20 30 EDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034242287 709628991 /nfs/dbraw/zinc/62/89/91/709628991.db2.gz WFYRRYCQCYTJCI-FUHWJXTLSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034242287 709628994 /nfs/dbraw/zinc/62/89/94/709628994.db2.gz WFYRRYCQCYTJCI-FUHWJXTLSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034242287 709628996 /nfs/dbraw/zinc/62/89/96/709628996.db2.gz WFYRRYCQCYTJCI-FUHWJXTLSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034242287 709628998 /nfs/dbraw/zinc/62/89/98/709628998.db2.gz WFYRRYCQCYTJCI-FUHWJXTLSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccnc2C)CC1 ZINC001003057433 709892803 /nfs/dbraw/zinc/89/28/03/709892803.db2.gz YTLQUQNOAUMZPT-IBGZPJMESA-N 2 1 340.471 1.568 20 30 EDEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394731 709931443 /nfs/dbraw/zinc/93/14/43/709931443.db2.gz QGRBUPWFFPBWFK-IAGOWNOFSA-N 2 1 328.460 1.748 20 30 EDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394731 709931448 /nfs/dbraw/zinc/93/14/48/709931448.db2.gz QGRBUPWFFPBWFK-IAGOWNOFSA-N 2 1 328.460 1.748 20 30 EDEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004618054 712078365 /nfs/dbraw/zinc/07/83/65/712078365.db2.gz AQFHVUZDVCABEW-RBUKOAKNSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004618054 712078367 /nfs/dbraw/zinc/07/83/67/712078367.db2.gz AQFHVUZDVCABEW-RBUKOAKNSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004618054 712078368 /nfs/dbraw/zinc/07/83/68/712078368.db2.gz AQFHVUZDVCABEW-RBUKOAKNSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004618054 712078370 /nfs/dbraw/zinc/07/83/70/712078370.db2.gz AQFHVUZDVCABEW-RBUKOAKNSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001033155131 712190478 /nfs/dbraw/zinc/19/04/78/712190478.db2.gz UOYYYUFLPGHYIU-CVEARBPZSA-N 2 1 346.500 1.582 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2scnc2C)C1 ZINC001033155131 712190479 /nfs/dbraw/zinc/19/04/79/712190479.db2.gz UOYYYUFLPGHYIU-CVEARBPZSA-N 2 1 346.500 1.582 20 30 EDEDMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000114751236 138310525 /nfs/dbraw/zinc/31/05/25/138310525.db2.gz POOGAQCCHNYHLZ-DOTOQJQBSA-N 2 1 335.411 1.773 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ccccc1Cl ZINC000130800101 237218754 /nfs/dbraw/zinc/21/87/54/237218754.db2.gz OKMTVOOMTQEJJI-UHFFFAOYSA-N 2 1 340.855 1.345 20 30 EDEDMP COc1ccc(CNC(=[NH2+])NC[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000264072940 249331162 /nfs/dbraw/zinc/33/11/62/249331162.db2.gz DQFOJRARCKOUFN-AWEZNQCLSA-N 2 1 332.448 1.592 20 30 EDEDMP CC(C)Oc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264098799 249333548 /nfs/dbraw/zinc/33/35/48/249333548.db2.gz MJXCMLIQUOHCDW-UHFFFAOYSA-N 2 1 334.464 1.600 20 30 EDEDMP C=CCCS(=O)(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372785979 250226382 /nfs/dbraw/zinc/22/63/82/250226382.db2.gz SMPSCRQETDOWKW-UHFFFAOYSA-N 2 1 343.537 1.678 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261786701 139225909 /nfs/dbraw/zinc/22/59/09/139225909.db2.gz YLAVCEIKFLCRJD-MSOLQXFVSA-N 2 1 326.444 1.638 20 30 EDEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CCCC#N)c2)CCO1 ZINC000424159430 252149513 /nfs/dbraw/zinc/14/95/13/252149513.db2.gz SSPJKKBLSOZNQN-CRAIPNDOSA-N 2 1 344.459 1.545 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CCCC#N)c2)CCO1 ZINC000424159430 252149516 /nfs/dbraw/zinc/14/95/16/252149516.db2.gz SSPJKKBLSOZNQN-CRAIPNDOSA-N 2 1 344.459 1.545 20 30 EDEDMP COc1ccccc1[C@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCCC1 ZINC000104166485 533011254 /nfs/dbraw/zinc/01/12/54/533011254.db2.gz AXWHMKGNUVOJAL-KRWDZBQOSA-N 2 1 346.475 1.869 20 30 EDEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2ccccc2C#N)CC1 ZINC000264281760 139393176 /nfs/dbraw/zinc/39/31/76/139393176.db2.gz HKNOZJLONFZULW-INIZCTEOSA-N 2 1 331.460 1.962 20 30 EDEDMP COc1cc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccc1C#N ZINC000414656142 447316023 /nfs/dbraw/zinc/31/60/23/447316023.db2.gz MLXGMSLNOJFSIP-QGZVFWFLSA-N 2 1 342.443 1.211 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378431805 447427896 /nfs/dbraw/zinc/42/78/96/447427896.db2.gz OUHIXTSCTMBQEH-OALUTQOASA-N 2 1 348.535 1.535 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000057153338 441092867 /nfs/dbraw/zinc/09/28/67/441092867.db2.gz JCEXZIHPAWGQGI-IYBDPMFKSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000057153338 441092873 /nfs/dbraw/zinc/09/28/73/441092873.db2.gz JCEXZIHPAWGQGI-IYBDPMFKSA-N 2 1 335.492 1.336 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000171707671 442372932 /nfs/dbraw/zinc/37/29/32/442372932.db2.gz MQSHVPYLAMEFQJ-QGZVFWFLSA-N 2 1 338.496 1.293 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)c(C)n1 ZINC000194872822 442963955 /nfs/dbraw/zinc/96/39/55/442963955.db2.gz DRYGASJNVIILHD-QGZVFWFLSA-N 2 1 343.475 1.750 20 30 EDEDMP C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261954543 443175535 /nfs/dbraw/zinc/17/55/35/443175535.db2.gz IIRYOZWGBCHUGX-WBMJQRKESA-N 2 1 347.438 1.412 20 30 EDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261963784 443176558 /nfs/dbraw/zinc/17/65/58/443176558.db2.gz KYGBDHKSJRRZNR-DOTOQJQBSA-N 2 1 343.479 1.937 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000264272337 443256545 /nfs/dbraw/zinc/25/65/45/443256545.db2.gz ACALAKFQWZNRDC-IAGOWNOFSA-N 2 1 337.508 1.600 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000269406268 443305789 /nfs/dbraw/zinc/30/57/89/443305789.db2.gz FBRGBOHQSISSOI-CZUORRHYSA-N 2 1 346.475 1.907 20 30 EDEDMP CCCC[N@@H+](C)CCNC(=[NH2+])NC1CCN(C(=O)OCC)CC1 ZINC000304761670 444253155 /nfs/dbraw/zinc/25/31/55/444253155.db2.gz USOVBXRIUSRZDN-UHFFFAOYSA-N 2 1 327.473 1.244 20 30 EDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000303973805 444238139 /nfs/dbraw/zinc/23/81/39/444238139.db2.gz HGKISDMSPKQXIE-ZDUSSCGKSA-N 2 1 327.473 1.242 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCNC(=O)OC(C)(C)C ZINC000305805217 444281362 /nfs/dbraw/zinc/28/13/62/444281362.db2.gz GCLGOHDPELTBML-CQSZACIVSA-N 2 1 341.500 1.680 20 30 EDEDMP CC[N@H+]1CCC[C@@H](CNC(=O)NCCN2CCOCC2(C)C)C1 ZINC000328651630 444414875 /nfs/dbraw/zinc/41/48/75/444414875.db2.gz BOYYWRBYSOILIJ-HNNXBMFYSA-N 2 1 326.485 1.333 20 30 EDEDMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000341236347 444742719 /nfs/dbraw/zinc/74/27/19/444742719.db2.gz OGNNPGZTIYQRDQ-QFBILLFUSA-N 2 1 340.471 1.790 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000341236347 444742723 /nfs/dbraw/zinc/74/27/23/444742723.db2.gz OGNNPGZTIYQRDQ-QFBILLFUSA-N 2 1 340.471 1.790 20 30 EDEDMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000341236347 444742728 /nfs/dbraw/zinc/74/27/28/444742728.db2.gz OGNNPGZTIYQRDQ-QFBILLFUSA-N 2 1 340.471 1.790 20 30 EDEDMP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000341236347 444742735 /nfs/dbraw/zinc/74/27/35/444742735.db2.gz OGNNPGZTIYQRDQ-QFBILLFUSA-N 2 1 340.471 1.790 20 30 EDEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000336886192 444833646 /nfs/dbraw/zinc/83/36/46/444833646.db2.gz FVQBHSHODDONOF-MOPGFXCFSA-N 2 1 343.471 1.962 20 30 EDEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000336886192 444833647 /nfs/dbraw/zinc/83/36/47/444833647.db2.gz FVQBHSHODDONOF-MOPGFXCFSA-N 2 1 343.471 1.962 20 30 EDEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000336886192 444833648 /nfs/dbraw/zinc/83/36/48/444833648.db2.gz FVQBHSHODDONOF-MOPGFXCFSA-N 2 1 343.471 1.962 20 30 EDEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000336886192 444833649 /nfs/dbraw/zinc/83/36/49/444833649.db2.gz FVQBHSHODDONOF-MOPGFXCFSA-N 2 1 343.471 1.962 20 30 EDEDMP C(#CC[N@H+]1CCC[C@@H]2COCC[C@@H]21)C[NH+]1CCC[C@H]2COCC[C@@H]21 ZINC000341893411 445056819 /nfs/dbraw/zinc/05/68/19/445056819.db2.gz HURKQNCWBBVRIT-YRPNKDGESA-N 2 1 332.488 1.992 20 30 EDEDMP C(#CC[N@@H+]1CCC[C@H]2COCC[C@@H]21)C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000341893411 445056822 /nfs/dbraw/zinc/05/68/22/445056822.db2.gz HURKQNCWBBVRIT-YRPNKDGESA-N 2 1 332.488 1.992 20 30 EDEDMP C(#CC[N@H+]1CCC[C@H]2COCC[C@@H]21)C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000341893411 445056826 /nfs/dbraw/zinc/05/68/26/445056826.db2.gz HURKQNCWBBVRIT-YRPNKDGESA-N 2 1 332.488 1.992 20 30 EDEDMP C=CCCC[N@H+](C)CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000369480407 446124471 /nfs/dbraw/zinc/12/44/71/446124471.db2.gz NOPSWMHLGRAGHI-LJQANCHMSA-N 2 1 345.487 1.902 20 30 EDEDMP C[C@@H]1CC[C@H]([NH+](CC#CC[N@H+](CCO)[C@H]2CC[C@H](C)C2)CCO)C1 ZINC000351620168 446215217 /nfs/dbraw/zinc/21/52/17/446215217.db2.gz MOVFCBNBCDSQNX-YRPNKDGESA-N 2 1 336.520 1.956 20 30 EDEDMP C[C@@H]1CC[C@H]([N@H+](CC#CC[NH+](CCO)[C@H]2CC[C@H](C)C2)CCO)C1 ZINC000351620168 446215223 /nfs/dbraw/zinc/21/52/23/446215223.db2.gz MOVFCBNBCDSQNX-YRPNKDGESA-N 2 1 336.520 1.956 20 30 EDEDMP C[C@@H]1CC[C@H]([N@@H+](CC#CC[NH+](CCO)[C@H]2CC[C@H](C)C2)CCO)C1 ZINC000351620168 446215228 /nfs/dbraw/zinc/21/52/28/446215228.db2.gz MOVFCBNBCDSQNX-YRPNKDGESA-N 2 1 336.520 1.956 20 30 EDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000451601197 447740714 /nfs/dbraw/zinc/74/07/14/447740714.db2.gz UKHTZVSACFMBPC-QRQLOZEOSA-N 2 1 343.471 1.825 20 30 EDEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000566108133 448390487 /nfs/dbraw/zinc/39/04/87/448390487.db2.gz CVHYSSUAPPUUIS-ROUUACIJSA-N 2 1 331.460 1.814 20 30 EDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583084226 448420774 /nfs/dbraw/zinc/42/07/74/448420774.db2.gz FNMRWYVQXOYNIS-QGZVFWFLSA-N 2 1 342.447 1.534 20 30 EDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000583084226 448420781 /nfs/dbraw/zinc/42/07/81/448420781.db2.gz FNMRWYVQXOYNIS-QGZVFWFLSA-N 2 1 342.447 1.534 20 30 EDEDMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528398350 448511208 /nfs/dbraw/zinc/51/12/08/448511208.db2.gz FTDXRBPUNBDSJR-FUHWJXTLSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528398350 448511210 /nfs/dbraw/zinc/51/12/10/448511210.db2.gz FTDXRBPUNBDSJR-FUHWJXTLSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528398350 448511215 /nfs/dbraw/zinc/51/12/15/448511215.db2.gz FTDXRBPUNBDSJR-FUHWJXTLSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528398350 448511220 /nfs/dbraw/zinc/51/12/20/448511220.db2.gz FTDXRBPUNBDSJR-FUHWJXTLSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528398350 448511223 /nfs/dbraw/zinc/51/12/23/448511223.db2.gz FTDXRBPUNBDSJR-FUHWJXTLSA-N 2 1 331.460 1.962 20 30 EDEDMP Cc1oc(C#N)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000574986259 449005674 /nfs/dbraw/zinc/00/56/74/449005674.db2.gz WOZCEMPSACEYFD-UHFFFAOYSA-N 2 1 325.372 1.859 20 30 EDEDMP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000600736378 449525710 /nfs/dbraw/zinc/52/57/10/449525710.db2.gz YFAYFKPOGAJTMT-MOPGFXCFSA-N 2 1 343.471 1.922 20 30 EDEDMP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000600736378 449525713 /nfs/dbraw/zinc/52/57/13/449525713.db2.gz YFAYFKPOGAJTMT-MOPGFXCFSA-N 2 1 343.471 1.922 20 30 EDEDMP C=C[C@@](C)(O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000612049765 449539632 /nfs/dbraw/zinc/53/96/32/449539632.db2.gz JCYSYTPDVUMQBT-LJQANCHMSA-N 2 1 337.508 1.578 20 30 EDEDMP Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1C#N ZINC000600701766 449502671 /nfs/dbraw/zinc/50/26/71/449502671.db2.gz GAYOUBNXFKNOQB-QGZVFWFLSA-N 2 1 326.444 1.511 20 30 EDEDMP C[N@@H+](CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000600814424 449559592 /nfs/dbraw/zinc/55/95/92/449559592.db2.gz PSHMEVJWRFEHFK-UHFFFAOYSA-N 2 1 326.444 1.687 20 30 EDEDMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000617574361 449693899 /nfs/dbraw/zinc/69/38/99/449693899.db2.gz DUSDHEHKIBATBI-ZWKOTPCHSA-N 2 1 331.460 1.908 20 30 EDEDMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000617574361 449693905 /nfs/dbraw/zinc/69/39/05/449693905.db2.gz DUSDHEHKIBATBI-ZWKOTPCHSA-N 2 1 331.460 1.908 20 30 EDEDMP C=CC[C@@]1(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000662900400 453594015 /nfs/dbraw/zinc/59/40/15/453594015.db2.gz LLXWXNXOJJJLAB-HKUYNNGSSA-N 2 1 334.508 1.312 20 30 EDEDMP C=CC[C@@]1(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000662900400 453594018 /nfs/dbraw/zinc/59/40/18/453594018.db2.gz LLXWXNXOJJJLAB-HKUYNNGSSA-N 2 1 334.508 1.312 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000730106370 578615117 /nfs/dbraw/zinc/61/51/17/578615117.db2.gz YXULHOITZMGAGD-SFHVURJKSA-N 2 1 326.444 1.260 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000764572385 580123682 /nfs/dbraw/zinc/12/36/82/580123682.db2.gz DEHUJDPFACSRIG-UHFFFAOYSA-N 2 1 346.475 1.369 20 30 EDEDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)Nc2cccc(C#N)c2)C1 ZINC000779646641 580492615 /nfs/dbraw/zinc/49/26/15/580492615.db2.gz TWGMMDDGLKFPSR-HNNXBMFYSA-N 2 1 345.403 1.104 20 30 EDEDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)Nc2cccc(C#N)c2)C1 ZINC000779646641 580492616 /nfs/dbraw/zinc/49/26/16/580492616.db2.gz TWGMMDDGLKFPSR-HNNXBMFYSA-N 2 1 345.403 1.104 20 30 EDEDMP C[NH+]1CC[C@@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)c(C#N)cc1[N+](=O)[O-] ZINC000895768270 591268919 /nfs/dbraw/zinc/26/89/19/591268919.db2.gz BDXPCJARVPCWEB-UONOGXRCSA-N 2 1 344.419 1.698 20 30 EDEDMP C[NH+]1CC[C@H]1CNc1cc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])cc1C#N ZINC000895768270 591268921 /nfs/dbraw/zinc/26/89/21/591268921.db2.gz BDXPCJARVPCWEB-UONOGXRCSA-N 2 1 344.419 1.698 20 30 EDEDMP C[NH+]1CC[C@H]1CNc1cc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])cc1C#N ZINC000895768270 591268923 /nfs/dbraw/zinc/26/89/23/591268923.db2.gz BDXPCJARVPCWEB-UONOGXRCSA-N 2 1 344.419 1.698 20 30 EDEDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000905500285 592545483 /nfs/dbraw/zinc/54/54/83/592545483.db2.gz ABHYFRVTOIQUAE-LTFPLMDUSA-N 2 1 343.471 1.661 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000812516391 593503182 /nfs/dbraw/zinc/50/31/82/593503182.db2.gz ZASPZYNTOFAVEA-UHFFFAOYSA-N 2 1 330.432 1.488 20 30 EDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000842039629 595007524 /nfs/dbraw/zinc/00/75/24/595007524.db2.gz PXPHJYFNASUDHH-OAHLLOKOSA-N 2 1 347.375 1.574 20 30 EDEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000842039629 595007527 /nfs/dbraw/zinc/00/75/27/595007527.db2.gz PXPHJYFNASUDHH-OAHLLOKOSA-N 2 1 347.375 1.574 20 30 EDEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000834499865 595145647 /nfs/dbraw/zinc/14/56/47/595145647.db2.gz NQFBTUBOSSTYEB-BFYDXBDKSA-N 2 1 330.407 1.265 20 30 EDEDMP C[NH+](C)C[C@@](C)(C=NNCCC[NH+]1CCOCC1)c1ccccc1 ZINC000834977725 595244225 /nfs/dbraw/zinc/24/42/25/595244225.db2.gz XRNQGKXTSVUVPB-LJQANCHMSA-N 2 1 332.492 1.804 20 30 EDEDMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000867947083 596629228 /nfs/dbraw/zinc/62/92/28/596629228.db2.gz YPWUMXWARMCYQA-QBIMZIAESA-N 2 1 326.444 1.686 20 30 EDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000867975471 596641138 /nfs/dbraw/zinc/64/11/38/596641138.db2.gz VRCPOEYLHHFQBS-IBGZPJMESA-N 2 1 348.406 1.866 20 30 EDEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876738997 597315567 /nfs/dbraw/zinc/31/55/67/597315567.db2.gz BHVJGZYQEPVESS-QFBILLFUSA-N 2 1 340.471 1.982 20 30 EDEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876762313 597328216 /nfs/dbraw/zinc/32/82/16/597328216.db2.gz FSORQBHFKYOIFN-LPHOPBHVSA-N 2 1 340.471 1.839 20 30 EDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000876773501 597333960 /nfs/dbraw/zinc/33/39/60/597333960.db2.gz SPYHDICAMNHVKJ-KBPBESRZSA-N 2 1 329.872 1.606 20 30 EDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000876961722 597398486 /nfs/dbraw/zinc/39/84/86/597398486.db2.gz WJLLAPQWHMFTLZ-JKSUJKDBSA-N 2 1 337.851 1.339 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000914099513 695098551 /nfs/dbraw/zinc/09/85/51/695098551.db2.gz CRIMBHHWUCLNRD-KRWDZBQOSA-N 2 1 334.508 1.895 20 30 EDEDMP C#CCN(C(=O)NCCCCn1cc[nH+]c1C)C1CC[NH+](C)CC1 ZINC000920266262 697417116 /nfs/dbraw/zinc/41/71/16/697417116.db2.gz PJWGHIWODWDWNK-UHFFFAOYSA-N 2 1 331.464 1.711 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603221 701593442 /nfs/dbraw/zinc/59/34/42/701593442.db2.gz GNKIZFJXQOQDGT-HKUYNNGSSA-N 2 1 346.519 1.408 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941603221 701593443 /nfs/dbraw/zinc/59/34/43/701593443.db2.gz GNKIZFJXQOQDGT-HKUYNNGSSA-N 2 1 346.519 1.408 20 30 EDEDMP C[NH+]=C(NCCN1c2ccccc2C[C@@H]1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083129148 700460065 /nfs/dbraw/zinc/46/00/65/700460065.db2.gz PORGQLVOVPRFLD-DOTOQJQBSA-N 2 1 341.503 1.839 20 30 EDEDMP C[NH+]=C(NCCN1c2ccccc2C[C@@H]1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083129148 700460068 /nfs/dbraw/zinc/46/00/68/700460068.db2.gz PORGQLVOVPRFLD-DOTOQJQBSA-N 2 1 341.503 1.839 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901837 700976518 /nfs/dbraw/zinc/97/65/18/700976518.db2.gz QXZIHSNPFLCLRM-RXCRORICSA-N 2 1 345.487 1.090 20 30 EDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1(C)C ZINC000995898273 702202771 /nfs/dbraw/zinc/20/27/71/702202771.db2.gz SWPHRFLHYUIAID-CVEARBPZSA-N 2 1 333.480 1.216 20 30 EDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942722821 703237437 /nfs/dbraw/zinc/23/74/37/703237437.db2.gz OOOUXSXOUXDTQR-WBVHZDCISA-N 2 1 344.459 1.734 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942722821 703237439 /nfs/dbraw/zinc/23/74/39/703237439.db2.gz OOOUXSXOUXDTQR-WBVHZDCISA-N 2 1 344.459 1.734 20 30 EDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408999 703438354 /nfs/dbraw/zinc/43/83/54/703438354.db2.gz SFSHFXMETZTENG-OKYOBFRVSA-N 2 1 347.503 1.595 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000998064742 705274935 /nfs/dbraw/zinc/27/49/35/705274935.db2.gz AZTYFJUSISXZCX-NRGCRIOASA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000998064742 705274938 /nfs/dbraw/zinc/27/49/38/705274938.db2.gz AZTYFJUSISXZCX-NRGCRIOASA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CCCO)CC2)CC1 ZINC000998197173 705502072 /nfs/dbraw/zinc/50/20/72/705502072.db2.gz KFCLGKAPYGTTHB-LJQANCHMSA-N 2 1 349.519 1.417 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000998720138 706152328 /nfs/dbraw/zinc/15/23/28/706152328.db2.gz IIAMQOYNOCFIIZ-FUHWJXTLSA-N 2 1 344.434 1.872 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC000999837091 707473666 /nfs/dbraw/zinc/47/36/66/707473666.db2.gz NWBHMWGNPVCJHJ-NNGSBXSVSA-N 2 1 344.434 1.728 20 30 EDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001005495461 709204799 /nfs/dbraw/zinc/20/47/99/709204799.db2.gz CAXAVAHGVFOEPK-GOSISDBHSA-N 2 1 333.476 1.186 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001034043550 709294758 /nfs/dbraw/zinc/29/47/58/709294758.db2.gz WJPXJNRKAOJJOJ-MOPGFXCFSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034043550 709294761 /nfs/dbraw/zinc/29/47/61/709294761.db2.gz WJPXJNRKAOJJOJ-MOPGFXCFSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001034043550 709294763 /nfs/dbraw/zinc/29/47/63/709294763.db2.gz WJPXJNRKAOJJOJ-MOPGFXCFSA-N 2 1 340.471 1.933 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034211350 709562040 /nfs/dbraw/zinc/56/20/40/709562040.db2.gz ZSVJFYAWPVSZNO-MRXNPFEDSA-N 2 1 331.464 1.052 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@@H](C)OC)C2)CC1 ZINC001034538361 710211126 /nfs/dbraw/zinc/21/11/26/710211126.db2.gz MTOAJIDLHGGYCU-SJLPKXTDSA-N 2 1 335.492 1.337 20 30 EDEDMP C[N@H+]1CC[C@@H](CC(=O)NC2CCN(Cc3ccccc3C#N)CC2)C1 ZINC001003972943 711127785 /nfs/dbraw/zinc/12/77/85/711127785.db2.gz CENHEZTZSFKQRN-INIZCTEOSA-N 2 1 340.471 1.981 20 30 EDEDMP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001003972943 711127788 /nfs/dbraw/zinc/12/77/88/711127788.db2.gz CENHEZTZSFKQRN-INIZCTEOSA-N 2 1 340.471 1.981 20 30 EDEDMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001003972943 711127792 /nfs/dbraw/zinc/12/77/92/711127792.db2.gz CENHEZTZSFKQRN-INIZCTEOSA-N 2 1 340.471 1.981 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001004619003 712079783 /nfs/dbraw/zinc/07/97/83/712079783.db2.gz ZDRBMPYCXLZRSH-IEBWSBKVSA-N 2 1 347.503 1.291 20 30 EDEDMP C#CC[N@H+](CCC(=O)N1CCN(C)CC1)[C@@H]1CCc2ccccc21 ZINC000491639142 255135560 /nfs/dbraw/zinc/13/55/60/255135560.db2.gz YAZVHIHTLYFZHY-LJQANCHMSA-N 2 1 325.456 1.773 20 30 EDEDMP C#CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC000491639142 255135561 /nfs/dbraw/zinc/13/55/61/255135561.db2.gz YAZVHIHTLYFZHY-LJQANCHMSA-N 2 1 325.456 1.773 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378431809 447427618 /nfs/dbraw/zinc/42/76/18/447427618.db2.gz OUHIXTSCTMBQEH-RTBURBONSA-N 2 1 348.535 1.535 20 30 EDEDMP C=CCNC(NCc1nnc(C)n1C)=[NH+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000261942656 443174762 /nfs/dbraw/zinc/17/47/62/443174762.db2.gz DUYAJCYHNJTMFW-MQVJKMGUSA-N 2 1 345.495 1.360 20 30 EDEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262751369 443210206 /nfs/dbraw/zinc/21/02/06/443210206.db2.gz CBXXJAPDUWBTGR-INIZCTEOSA-N 2 1 338.525 1.139 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(OC)cc1 ZINC000267468484 443468110 /nfs/dbraw/zinc/46/81/10/443468110.db2.gz XCTSPNVMUAOSET-GJZGRUSLSA-N 2 1 334.464 1.851 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(OC)cc1 ZINC000267468483 443468252 /nfs/dbraw/zinc/46/82/52/443468252.db2.gz XCTSPNVMUAOSET-CABCVRRESA-N 2 1 334.464 1.851 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1CC(c2ccccc2)C1 ZINC000283052566 443508081 /nfs/dbraw/zinc/50/80/81/443508081.db2.gz RFXRURYGFGNFTL-UHFFFAOYSA-N 2 1 330.476 1.807 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000294103055 444103078 /nfs/dbraw/zinc/10/30/78/444103078.db2.gz YJYLNXHFTLXRSP-IBGZPJMESA-N 2 1 327.472 1.970 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000294103055 444103081 /nfs/dbraw/zinc/10/30/81/444103081.db2.gz YJYLNXHFTLXRSP-IBGZPJMESA-N 2 1 327.472 1.970 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000294103055 444103085 /nfs/dbraw/zinc/10/30/85/444103085.db2.gz YJYLNXHFTLXRSP-IBGZPJMESA-N 2 1 327.472 1.970 20 30 EDEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000305064366 444256893 /nfs/dbraw/zinc/25/68/93/444256893.db2.gz HUSAHBOKKPSSMY-OALUTQOASA-N 2 1 328.460 1.303 20 30 EDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000305064366 444256894 /nfs/dbraw/zinc/25/68/94/444256894.db2.gz HUSAHBOKKPSSMY-OALUTQOASA-N 2 1 328.460 1.303 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000296557963 444238832 /nfs/dbraw/zinc/23/88/32/444238832.db2.gz GAWZEYDTUPVGJO-QGZVFWFLSA-N 2 1 330.476 1.761 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000296557963 444238835 /nfs/dbraw/zinc/23/88/35/444238835.db2.gz GAWZEYDTUPVGJO-QGZVFWFLSA-N 2 1 330.476 1.761 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000296557963 444238838 /nfs/dbraw/zinc/23/88/38/444238838.db2.gz GAWZEYDTUPVGJO-QGZVFWFLSA-N 2 1 330.476 1.761 20 30 EDEDMP CCOCCC[N@H+]1CC[C@H](NCC(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000347198416 445233906 /nfs/dbraw/zinc/23/39/06/445233906.db2.gz LUMDLLONVHJRNP-HOTGVXAUSA-N 2 1 336.480 1.275 20 30 EDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000347198416 445233907 /nfs/dbraw/zinc/23/39/07/445233907.db2.gz LUMDLLONVHJRNP-HOTGVXAUSA-N 2 1 336.480 1.275 20 30 EDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000347198416 445233909 /nfs/dbraw/zinc/23/39/09/445233909.db2.gz LUMDLLONVHJRNP-HOTGVXAUSA-N 2 1 336.480 1.275 20 30 EDEDMP CC(C)(C)OC(=O)N1CCN2C(NCC[N@H+]3CC=CCC3)=[NH+]C[C@H]2C1 ZINC000366861261 446386481 /nfs/dbraw/zinc/38/64/81/446386481.db2.gz DVWREQPQNGZSHP-HNNXBMFYSA-N 2 1 349.479 1.129 20 30 EDEDMP CC(C)(C)OC(=O)N1CCN2C(NCC[N@@H+]3CC=CCC3)=[NH+]C[C@H]2C1 ZINC000366861261 446386486 /nfs/dbraw/zinc/38/64/86/446386486.db2.gz DVWREQPQNGZSHP-HNNXBMFYSA-N 2 1 349.479 1.129 20 30 EDEDMP C#CCNC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000491209911 447958218 /nfs/dbraw/zinc/95/82/18/447958218.db2.gz NNOLXAMRMYJXGM-HXUWFJFHSA-N 2 1 325.456 1.724 20 30 EDEDMP C#CCNC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000491209911 447958224 /nfs/dbraw/zinc/95/82/24/447958224.db2.gz NNOLXAMRMYJXGM-HXUWFJFHSA-N 2 1 325.456 1.724 20 30 EDEDMP C#CCNC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000491209911 447958231 /nfs/dbraw/zinc/95/82/31/447958231.db2.gz NNOLXAMRMYJXGM-HXUWFJFHSA-N 2 1 325.456 1.724 20 30 EDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2cccc(C#N)c2)CC1 ZINC000531385078 448075512 /nfs/dbraw/zinc/07/55/12/448075512.db2.gz JDDMGQJWGUTXQC-UHFFFAOYSA-N 2 1 335.411 1.886 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)COc1ccccc1C#N ZINC000597941951 449152343 /nfs/dbraw/zinc/15/23/43/449152343.db2.gz HKUMJQWCVKUQLG-HNNXBMFYSA-N 2 1 332.448 1.325 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)COc1ccccc1C#N ZINC000597941951 449152346 /nfs/dbraw/zinc/15/23/46/449152346.db2.gz HKUMJQWCVKUQLG-HNNXBMFYSA-N 2 1 332.448 1.325 20 30 EDEDMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593882860 449261133 /nfs/dbraw/zinc/26/11/33/449261133.db2.gz NAOUQJWSDNSBCW-UHFFFAOYSA-N 2 1 328.460 1.979 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2c(cc1C#N)COCC2 ZINC000596360876 449481965 /nfs/dbraw/zinc/48/19/65/449481965.db2.gz HHGLVVJHJWJVJH-AWEZNQCLSA-N 2 1 331.464 1.710 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2c(cc1C#N)COCC2 ZINC000596360876 449481972 /nfs/dbraw/zinc/48/19/72/449481972.db2.gz HHGLVVJHJWJVJH-AWEZNQCLSA-N 2 1 331.464 1.710 20 30 EDEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2C#N)CCCO1 ZINC000600735422 449524379 /nfs/dbraw/zinc/52/43/79/449524379.db2.gz SYQHSMNNONNGQV-SJLPKXTDSA-N 2 1 347.459 1.388 20 30 EDEDMP C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCOCC1 ZINC000617502281 449645001 /nfs/dbraw/zinc/64/50/01/449645001.db2.gz JWFDOIPAKZUKRI-INIZCTEOSA-N 2 1 325.497 1.748 20 30 EDEDMP C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCOCC1 ZINC000617502281 449645007 /nfs/dbraw/zinc/64/50/07/449645007.db2.gz JWFDOIPAKZUKRI-INIZCTEOSA-N 2 1 325.497 1.748 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(C(=O)OC)c1 ZINC000132406978 529074757 /nfs/dbraw/zinc/07/47/57/529074757.db2.gz JNNVQTGQQCBTGB-MRXNPFEDSA-N 2 1 332.448 1.404 20 30 EDEDMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247465438 535596869 /nfs/dbraw/zinc/59/68/69/535596869.db2.gz ISZMIHWZQUVLSL-QZTJIDSGSA-N 2 1 331.460 1.962 20 30 EDEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247465438 535596878 /nfs/dbraw/zinc/59/68/78/535596878.db2.gz ISZMIHWZQUVLSL-QZTJIDSGSA-N 2 1 331.460 1.962 20 30 EDEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC1=NNC(=S)NCCC[NH+](C)C ZINC000751528227 579811599 /nfs/dbraw/zinc/81/15/99/579811599.db2.gz BJPBZKQULLQTKN-HNNXBMFYSA-N 2 1 347.532 1.910 20 30 EDEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NNC(=S)NCCC[NH+](C)C ZINC000751528227 579811601 /nfs/dbraw/zinc/81/16/01/579811601.db2.gz BJPBZKQULLQTKN-HNNXBMFYSA-N 2 1 347.532 1.910 20 30 EDEDMP CC(=NNCCC[NH+]1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000799488694 581029223 /nfs/dbraw/zinc/02/92/23/581029223.db2.gz UYEWXPSTKUCRPM-UHFFFAOYSA-N 2 1 348.491 1.663 20 30 EDEDMP C[NH+]=C(NCc1ccco1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000849028789 595475176 /nfs/dbraw/zinc/47/51/76/595475176.db2.gz YEYNQYBIIABIAX-UHFFFAOYSA-N 2 1 342.443 1.977 20 30 EDEDMP CN1CC[NH+](Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852872874 595591759 /nfs/dbraw/zinc/59/17/59/595591759.db2.gz MIOWECKCUVLPBA-UHFFFAOYSA-N 2 1 340.471 1.376 20 30 EDEDMP C#CC[C@@H](COC)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000875922042 597035989 /nfs/dbraw/zinc/03/59/89/597035989.db2.gz AJJRNSAOFDPZIE-IRXDYDNUSA-N 2 1 338.496 1.082 20 30 EDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000884160184 598011280 /nfs/dbraw/zinc/01/12/80/598011280.db2.gz WUMYSMXNVOOJPB-ROUUACIJSA-N 2 1 346.450 1.825 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000884160184 598011282 /nfs/dbraw/zinc/01/12/82/598011282.db2.gz WUMYSMXNVOOJPB-ROUUACIJSA-N 2 1 346.450 1.825 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000941595719 701587351 /nfs/dbraw/zinc/58/73/51/701587351.db2.gz MPFGRWPFOBTYRN-UHFFFAOYSA-N 2 1 334.508 1.123 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2coc(C)n2)CC1 ZINC000940157876 700289400 /nfs/dbraw/zinc/28/94/00/700289400.db2.gz CTCMUQDQLCBVSY-KRWDZBQOSA-N 2 1 344.459 1.551 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2coc(C)n2)CC1 ZINC000940157876 700289403 /nfs/dbraw/zinc/28/94/03/700289403.db2.gz CTCMUQDQLCBVSY-KRWDZBQOSA-N 2 1 344.459 1.551 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940158170 700289799 /nfs/dbraw/zinc/28/97/99/700289799.db2.gz SSUJBZNUAKVLLG-IRXDYDNUSA-N 2 1 333.476 1.091 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940158170 700289802 /nfs/dbraw/zinc/28/98/02/700289802.db2.gz SSUJBZNUAKVLLG-IRXDYDNUSA-N 2 1 333.476 1.091 20 30 EDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940751702 700889586 /nfs/dbraw/zinc/88/95/86/700889586.db2.gz TZBCWTJGEQWSLS-KRWDZBQOSA-N 2 1 347.507 1.851 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCF)CC2(C)C)CC1 ZINC000941237189 701427815 /nfs/dbraw/zinc/42/78/15/701427815.db2.gz JJTOTDKQWGHWMD-QGZVFWFLSA-N 2 1 337.483 1.908 20 30 EDEDMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031977789 702037433 /nfs/dbraw/zinc/03/74/33/702037433.db2.gz IKQWQUJOIBHEQY-APWZRJJASA-N 2 1 325.456 1.284 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031977789 702037438 /nfs/dbraw/zinc/03/74/38/702037438.db2.gz IKQWQUJOIBHEQY-APWZRJJASA-N 2 1 325.456 1.284 20 30 EDEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000996618118 702924699 /nfs/dbraw/zinc/92/46/99/702924699.db2.gz DGOODVNFPFSLKE-GJZGRUSLSA-N 2 1 327.856 1.183 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C(C)(C)C2)C1 ZINC000996617751 702924909 /nfs/dbraw/zinc/92/49/09/702924909.db2.gz WFKUXLCLMMWISN-ROUUACIJSA-N 2 1 340.471 1.837 20 30 EDEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000996673219 702968883 /nfs/dbraw/zinc/96/88/83/702968883.db2.gz UFXZRVCNMHMIBL-OAHLLOKOSA-N 2 1 339.871 1.146 20 30 EDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC000996993718 703250107 /nfs/dbraw/zinc/25/01/07/703250107.db2.gz DDQGNHBQSXPASS-MRXNPFEDSA-N 2 1 340.471 1.981 20 30 EDEDMP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942725 704794950 /nfs/dbraw/zinc/79/49/50/704794950.db2.gz CKUGUMIBRFTKBS-QFBILLFUSA-N 2 1 340.471 1.981 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCC3)C[C@H]2C)CC1 ZINC000945179401 705211018 /nfs/dbraw/zinc/21/10/18/705211018.db2.gz IJNWSMJBTSRBTP-APWZRJJASA-N 2 1 331.504 1.958 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)C[C@H]2C)CC1 ZINC000945179404 705211190 /nfs/dbraw/zinc/21/11/90/705211190.db2.gz IJNWSMJBTSRBTP-VQIMIIECSA-N 2 1 331.504 1.958 20 30 EDEDMP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998191085 705499503 /nfs/dbraw/zinc/49/95/03/705499503.db2.gz SALVULLAGYSQTF-ZWKOTPCHSA-N 2 1 335.492 1.433 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998191085 705499506 /nfs/dbraw/zinc/49/95/06/705499506.db2.gz SALVULLAGYSQTF-ZWKOTPCHSA-N 2 1 335.492 1.433 20 30 EDEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000998191085 705499507 /nfs/dbraw/zinc/49/95/07/705499507.db2.gz SALVULLAGYSQTF-ZWKOTPCHSA-N 2 1 335.492 1.433 20 30 EDEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998191085 705499510 /nfs/dbraw/zinc/49/95/10/705499510.db2.gz SALVULLAGYSQTF-ZWKOTPCHSA-N 2 1 335.492 1.433 20 30 EDEDMP C=CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC000998318759 705742548 /nfs/dbraw/zinc/74/25/48/705742548.db2.gz XMLAVWYBHGTNLX-STQMWFEESA-N 2 1 330.354 1.747 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000998718523 706150070 /nfs/dbraw/zinc/15/00/70/706150070.db2.gz CDJJPAXAPBQWPB-ROUUACIJSA-N 2 1 326.444 1.733 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001033297039 707409455 /nfs/dbraw/zinc/40/94/55/707409455.db2.gz FNGMSONPTXWJEU-ZWKOTPCHSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999995178 707673529 /nfs/dbraw/zinc/67/35/29/707673529.db2.gz DRYYFTOEZVAMNR-IAGOWNOFSA-N 2 1 346.479 1.202 20 30 EDEDMP C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995178 707673530 /nfs/dbraw/zinc/67/35/30/707673530.db2.gz DRYYFTOEZVAMNR-IAGOWNOFSA-N 2 1 346.479 1.202 20 30 EDEDMP C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995178 707673531 /nfs/dbraw/zinc/67/35/31/707673531.db2.gz DRYYFTOEZVAMNR-IAGOWNOFSA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C)nn2)C1 ZINC000999996442 707676344 /nfs/dbraw/zinc/67/63/44/707676344.db2.gz JIVVCBQZGSWNDJ-IAGOWNOFSA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999996442 707676349 /nfs/dbraw/zinc/67/63/49/707676349.db2.gz JIVVCBQZGSWNDJ-IAGOWNOFSA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999996442 707676351 /nfs/dbraw/zinc/67/63/51/707676351.db2.gz JIVVCBQZGSWNDJ-IAGOWNOFSA-N 2 1 346.479 1.202 20 30 EDEDMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033390628 707765043 /nfs/dbraw/zinc/76/50/43/707765043.db2.gz LBUDMGWGUJFCGJ-IBGZPJMESA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001033580648 708261898 /nfs/dbraw/zinc/26/18/98/708261898.db2.gz GHVCKHPAWZTGTO-OALUTQOASA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033580648 708261901 /nfs/dbraw/zinc/26/19/01/708261901.db2.gz GHVCKHPAWZTGTO-OALUTQOASA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001033580648 708261902 /nfs/dbraw/zinc/26/19/02/708261902.db2.gz GHVCKHPAWZTGTO-OALUTQOASA-N 2 1 340.471 1.933 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC[C@H]3CCOC3)C2)CC1 ZINC001033685480 708499549 /nfs/dbraw/zinc/49/95/49/708499549.db2.gz UCVWOZFQHYYVBR-PKOBYXMFSA-N 2 1 347.503 1.291 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC001002121225 708635090 /nfs/dbraw/zinc/63/50/90/708635090.db2.gz QUILQCONEXLKKN-FQEVSTJZSA-N 2 1 339.483 1.818 20 30 EDEDMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001034524954 710174443 /nfs/dbraw/zinc/17/44/43/710174443.db2.gz JGZAZLHUXDTKOT-PMACEKPBSA-N 2 1 339.483 1.961 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001034524954 710174444 /nfs/dbraw/zinc/17/44/44/710174444.db2.gz JGZAZLHUXDTKOT-PMACEKPBSA-N 2 1 339.483 1.961 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001034524954 710174445 /nfs/dbraw/zinc/17/44/45/710174445.db2.gz JGZAZLHUXDTKOT-PMACEKPBSA-N 2 1 339.483 1.961 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001034524954 710174446 /nfs/dbraw/zinc/17/44/46/710174446.db2.gz JGZAZLHUXDTKOT-PMACEKPBSA-N 2 1 339.483 1.961 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033139641 711935963 /nfs/dbraw/zinc/93/59/63/711935963.db2.gz HLJFKGDRDPWPEH-ROUUACIJSA-N 2 1 333.476 1.186 20 30 EDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033139641 711935964 /nfs/dbraw/zinc/93/59/64/711935964.db2.gz HLJFKGDRDPWPEH-ROUUACIJSA-N 2 1 333.476 1.186 20 30 EDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033139641 711935967 /nfs/dbraw/zinc/93/59/67/711935967.db2.gz HLJFKGDRDPWPEH-ROUUACIJSA-N 2 1 333.476 1.186 20 30 EDEDMP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)([NH+](C)C)C1 ZINC000329444518 539437614 /nfs/dbraw/zinc/43/76/14/539437614.db2.gz LPGSWXAXPYZKMP-NUJGCVRESA-N 2 1 339.528 1.246 20 30 EDEDMP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)n2c1 ZINC000123827081 138321729 /nfs/dbraw/zinc/32/17/29/138321729.db2.gz SKSUSFMZHOIIFX-MRXNPFEDSA-N 2 1 339.443 1.796 20 30 EDEDMP CN(C)C(=[NH+]CCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)N(C)C ZINC000104169373 237059373 /nfs/dbraw/zinc/05/93/73/237059373.db2.gz JZTXBYAVFSALBL-SFHVURJKSA-N 2 1 331.508 1.844 20 30 EDEDMP CN(C)C(=[NH+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)N(C)C ZINC000104169373 237059378 /nfs/dbraw/zinc/05/93/78/237059378.db2.gz JZTXBYAVFSALBL-SFHVURJKSA-N 2 1 331.508 1.844 20 30 EDEDMP CN(C)C(=[NH+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)N(C)C ZINC000104169373 237059399 /nfs/dbraw/zinc/05/93/99/237059399.db2.gz JZTXBYAVFSALBL-SFHVURJKSA-N 2 1 331.508 1.844 20 30 EDEDMP [NH2+]=C(NCCCc1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000104190099 237060718 /nfs/dbraw/zinc/06/07/18/237060718.db2.gz ZMEDERSUIDYQDJ-UHFFFAOYSA-N 2 1 338.883 1.899 20 30 EDEDMP C=CCOc1ccccc1C[N@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362688446 250183217 /nfs/dbraw/zinc/18/32/17/250183217.db2.gz ZOKVYYLFUCYELP-QGZVFWFLSA-N 2 1 329.444 1.648 20 30 EDEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000424176254 252154563 /nfs/dbraw/zinc/15/45/63/252154563.db2.gz RRNLDPZIJLADKA-MSOLQXFVSA-N 2 1 344.459 1.415 20 30 EDEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000367198271 154037880 /nfs/dbraw/zinc/03/78/80/154037880.db2.gz AEHNPWUSBVGIKN-UHFFFAOYSA-N 2 1 340.471 1.982 20 30 EDEDMP N#Cc1cccc(CNC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000371474653 155961694 /nfs/dbraw/zinc/96/16/94/155961694.db2.gz HANSXOWVYJRCSW-UHFFFAOYSA-N 2 1 340.471 1.982 20 30 EDEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000530236046 268303986 /nfs/dbraw/zinc/30/39/86/268303986.db2.gz MQCOSNUWEKTQIR-ZWKOTPCHSA-N 2 1 345.443 1.141 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnc(C#N)c1 ZINC000193053366 279303102 /nfs/dbraw/zinc/30/31/02/279303102.db2.gz KCTJOXQMRDPCDQ-QGZVFWFLSA-N 2 1 329.448 1.441 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC000072015463 441203142 /nfs/dbraw/zinc/20/31/42/441203142.db2.gz GVBXQGMCHICATM-IBGZPJMESA-N 2 1 349.519 1.585 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083720787 441371062 /nfs/dbraw/zinc/37/10/62/441371062.db2.gz CGOFBNVHNAAFJF-UHFFFAOYSA-N 2 1 334.468 1.326 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179738416 442496652 /nfs/dbraw/zinc/49/66/52/442496652.db2.gz YPTQWZNDIKSVPP-SFHVURJKSA-N 3 1 344.507 1.687 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000180760034 442657571 /nfs/dbraw/zinc/65/75/71/442657571.db2.gz BKRJYUBIRIUVBW-JKSUJKDBSA-N 2 1 338.496 1.123 20 30 EDEDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000181686406 442709529 /nfs/dbraw/zinc/70/95/29/442709529.db2.gz KTVWFOMWQBJEAV-OAHLLOKOSA-N 2 1 330.432 1.404 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(C#N)cc1 ZINC000194873595 442963809 /nfs/dbraw/zinc/96/38/09/442963809.db2.gz DYXBTGCUXUQACD-IBGZPJMESA-N 2 1 342.487 1.975 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000264056204 443247760 /nfs/dbraw/zinc/24/77/60/443247760.db2.gz AXLBXDREQOTHLS-WMZOPIPTSA-N 2 1 347.507 1.687 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc2c1OCCCO2 ZINC000269306633 443276119 /nfs/dbraw/zinc/27/61/19/443276119.db2.gz UALODSVWNCSDJJ-OAHLLOKOSA-N 2 1 332.448 1.737 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000297531486 444297506 /nfs/dbraw/zinc/29/75/06/444297506.db2.gz AMTWFRBDGYRSHG-AEFFLSMTSA-N 2 1 330.476 1.932 20 30 EDEDMP Cn1ccnc1[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1C ZINC000329957853 444786364 /nfs/dbraw/zinc/78/63/64/444786364.db2.gz MDAXIDGDFRFLQO-HOCLYGCPSA-N 2 1 346.479 1.107 20 30 EDEDMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[N@H+]1C ZINC000330125525 444853274 /nfs/dbraw/zinc/85/32/74/444853274.db2.gz BPBFIJCTCPFJOC-DZUCGIPZSA-N 2 1 338.496 1.351 20 30 EDEDMP C[C@@H]1C[N@H+](CCOc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362701033 445507832 /nfs/dbraw/zinc/50/78/32/445507832.db2.gz DYXHRVCULTXBLF-MJGOQNOKSA-N 2 1 342.487 1.895 20 30 EDEDMP C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362701033 445507833 /nfs/dbraw/zinc/50/78/33/445507833.db2.gz DYXHRVCULTXBLF-MJGOQNOKSA-N 2 1 342.487 1.895 20 30 EDEDMP CCN(CCC#N)C(=O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367210033 446521496 /nfs/dbraw/zinc/52/14/96/446521496.db2.gz YWVZVAFJGCOESZ-INIZCTEOSA-N 2 1 332.492 1.945 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000458312275 447766212 /nfs/dbraw/zinc/76/62/12/447766212.db2.gz BFVNHWPCIDGZTG-QGZVFWFLSA-N 2 1 338.496 1.173 20 30 EDEDMP C#CCNC(=O)CC[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000491451349 448030653 /nfs/dbraw/zinc/03/06/53/448030653.db2.gz FLLGCDJXGBVOAX-UHFFFAOYSA-N 2 1 342.487 1.053 20 30 EDEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000591729033 448474595 /nfs/dbraw/zinc/47/45/95/448474595.db2.gz UNANOIWYZOFAAW-UXHICEINSA-N 2 1 344.503 1.695 20 30 EDEDMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000580048783 448937812 /nfs/dbraw/zinc/93/78/12/448937812.db2.gz OBTINRVBCNQNFU-HXUWFJFHSA-N 2 1 344.503 1.755 20 30 EDEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133090 527101628 /nfs/dbraw/zinc/10/16/28/527101628.db2.gz JSFDZDRRWMLANM-LJQANCHMSA-N 2 1 327.472 1.910 20 30 EDEDMP C[NH+]1CCC([C@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)CC1 ZINC000766630833 580170685 /nfs/dbraw/zinc/17/06/85/580170685.db2.gz ALYQYFVEKILXLL-INIZCTEOSA-N 2 1 340.471 1.830 20 30 EDEDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)CC1 ZINC000766630833 580170686 /nfs/dbraw/zinc/17/06/86/580170686.db2.gz ALYQYFVEKILXLL-INIZCTEOSA-N 2 1 340.471 1.830 20 30 EDEDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OCC#N)cc1 ZINC000776157880 580409957 /nfs/dbraw/zinc/40/99/57/580409957.db2.gz UEGWHZRPONVGAT-NVXWUHKLSA-N 2 1 344.459 1.827 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245565 591015153 /nfs/dbraw/zinc/01/51/53/591015153.db2.gz GQKBALPONPNJHB-OALUTQOASA-N 2 1 342.487 1.569 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245565 591015156 /nfs/dbraw/zinc/01/51/56/591015156.db2.gz GQKBALPONPNJHB-OALUTQOASA-N 2 1 342.487 1.569 20 30 EDEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[N@@H+](C)C1CCC1 ZINC000900416454 592013119 /nfs/dbraw/zinc/01/31/19/592013119.db2.gz DZBKRNIQCRGGRQ-UHFFFAOYSA-N 2 1 328.460 1.933 20 30 EDEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000903421683 592170669 /nfs/dbraw/zinc/17/06/69/592170669.db2.gz RFPHURJIPBWQCM-SFHVURJKSA-N 2 1 340.471 1.819 20 30 EDEDMP N#CC1CCC(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000903445624 592173128 /nfs/dbraw/zinc/17/31/28/592173128.db2.gz MMCWYFLPCBRKBI-FOIPXRHGSA-N 2 1 332.492 1.897 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000852868981 595588472 /nfs/dbraw/zinc/58/84/72/595588472.db2.gz RNWOKNNVVJNCNX-IBGZPJMESA-N 2 1 325.456 1.770 20 30 EDEDMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867958348 596635446 /nfs/dbraw/zinc/63/54/46/596635446.db2.gz OXUWNCDZIWTVCJ-ZIFCJYIRSA-N 2 1 338.455 1.830 20 30 EDEDMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867958348 596635448 /nfs/dbraw/zinc/63/54/48/596635448.db2.gz OXUWNCDZIWTVCJ-ZIFCJYIRSA-N 2 1 338.455 1.830 20 30 EDEDMP C#CC[C@@H](CCOC)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000863781637 596684373 /nfs/dbraw/zinc/68/43/73/596684373.db2.gz PASOAWDGBYIPJV-SFHVURJKSA-N 2 1 349.519 1.727 20 30 EDEDMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876738077 597315030 /nfs/dbraw/zinc/31/50/30/597315030.db2.gz YTAVXAVUFUHVFV-SPYBWZPUSA-N 2 1 340.471 1.982 20 30 EDEDMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876738077 597315033 /nfs/dbraw/zinc/31/50/33/597315033.db2.gz YTAVXAVUFUHVFV-SPYBWZPUSA-N 2 1 340.471 1.982 20 30 EDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000876879328 597367140 /nfs/dbraw/zinc/36/71/40/597367140.db2.gz QFTUHRHBXKZIQL-LSDHHAIUSA-N 2 1 328.888 1.085 20 30 EDEDMP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)[C@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000878084257 597576998 /nfs/dbraw/zinc/57/69/98/597576998.db2.gz QBVQYPJMSXANTN-KDURUIRLSA-N 2 1 329.444 2.000 20 30 EDEDMP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)[C@@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000878084257 597576999 /nfs/dbraw/zinc/57/69/99/597576999.db2.gz QBVQYPJMSXANTN-KDURUIRLSA-N 2 1 329.444 2.000 20 30 EDEDMP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)[C@@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000878084257 597577000 /nfs/dbraw/zinc/57/70/00/597577000.db2.gz QBVQYPJMSXANTN-KDURUIRLSA-N 2 1 329.444 2.000 20 30 EDEDMP C[NH+]1CCC2(CC1)CC[NH+]([C@H](C(N)=O)c1ccc(C#N)cc1)CC2 ZINC000879249789 597864793 /nfs/dbraw/zinc/86/47/93/597864793.db2.gz BHFWHTSMZINYPP-KRWDZBQOSA-N 2 1 326.444 1.892 20 30 EDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC000992855699 695416293 /nfs/dbraw/zinc/41/62/93/695416293.db2.gz KMKJGBCQRFLORQ-KZNAEPCWSA-N 2 1 335.492 1.502 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000939745629 699911431 /nfs/dbraw/zinc/91/14/31/699911431.db2.gz DLYONTGTTYKGMC-BLLLJJGKSA-N 2 1 343.456 1.761 20 30 EDEDMP C=C(Br)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000939746719 699912384 /nfs/dbraw/zinc/91/23/84/699912384.db2.gz HOXASJJNEYHXJR-GXFFZTMASA-N 2 1 341.253 1.537 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cc(C)on2)CC1 ZINC000940153544 700305387 /nfs/dbraw/zinc/30/53/87/700305387.db2.gz KXGUFOUGFGHQGH-KRWDZBQOSA-N 2 1 344.459 1.551 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cc(C)on2)CC1 ZINC000940153544 700305391 /nfs/dbraw/zinc/30/53/91/700305391.db2.gz KXGUFOUGFGHQGH-KRWDZBQOSA-N 2 1 344.459 1.551 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C(C)(C)C1 ZINC000940973467 701015473 /nfs/dbraw/zinc/01/54/73/701015473.db2.gz VJVOMWFSWNWCHQ-IAGOWNOFSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973467 701015475 /nfs/dbraw/zinc/01/54/75/701015475.db2.gz VJVOMWFSWNWCHQ-IAGOWNOFSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973467 701015477 /nfs/dbraw/zinc/01/54/77/701015477.db2.gz VJVOMWFSWNWCHQ-IAGOWNOFSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973467 701015479 /nfs/dbraw/zinc/01/54/79/701015479.db2.gz VJVOMWFSWNWCHQ-IAGOWNOFSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973467 701015481 /nfs/dbraw/zinc/01/54/81/701015481.db2.gz VJVOMWFSWNWCHQ-IAGOWNOFSA-N 2 1 335.492 1.336 20 30 EDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940985712 701039905 /nfs/dbraw/zinc/03/99/05/701039905.db2.gz BPFCOUPQXJRIQD-WMZOPIPTSA-N 2 1 342.487 1.994 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940985712 701039906 /nfs/dbraw/zinc/03/99/06/701039906.db2.gz BPFCOUPQXJRIQD-WMZOPIPTSA-N 2 1 342.487 1.994 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncc(C)c2)CC1 ZINC000996685361 702982996 /nfs/dbraw/zinc/98/29/96/702982996.db2.gz OXXPREMZDRSIKM-IBGZPJMESA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncc(C)c2)CC1 ZINC000996685361 702982998 /nfs/dbraw/zinc/98/29/98/702982998.db2.gz OXXPREMZDRSIKM-IBGZPJMESA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000996686429 702992948 /nfs/dbraw/zinc/99/29/48/702992948.db2.gz TZAMFBDEHHCZKU-IBGZPJMESA-N 2 1 325.456 1.865 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000996686429 702992949 /nfs/dbraw/zinc/99/29/49/702992949.db2.gz TZAMFBDEHHCZKU-IBGZPJMESA-N 2 1 325.456 1.865 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnoc2C)CC1 ZINC000997831757 704749984 /nfs/dbraw/zinc/74/99/84/704749984.db2.gz LNXAJKUHFKRAFK-SFHVURJKSA-N 2 1 344.459 1.409 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnoc2C)CC1 ZINC000997831757 704749985 /nfs/dbraw/zinc/74/99/85/704749985.db2.gz LNXAJKUHFKRAFK-SFHVURJKSA-N 2 1 344.459 1.409 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000997830976 704751479 /nfs/dbraw/zinc/75/14/79/704751479.db2.gz FVIZCGWYFPWEJQ-IBGZPJMESA-N 2 1 340.471 1.507 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000997830976 704751481 /nfs/dbraw/zinc/75/14/81/704751481.db2.gz FVIZCGWYFPWEJQ-IBGZPJMESA-N 2 1 340.471 1.507 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1C(F)(F)F ZINC000998284846 705680382 /nfs/dbraw/zinc/68/03/82/705680382.db2.gz ZEJJCZMAZIXSJV-ZIAGYGMSSA-N 2 1 343.393 1.617 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)ns2)C1 ZINC000998929772 706358683 /nfs/dbraw/zinc/35/86/83/706358683.db2.gz ZXKKKBGCUNFUDA-DQPZFDDXSA-N 2 1 346.500 1.628 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)ns2)C1 ZINC000998929772 706358686 /nfs/dbraw/zinc/35/86/86/706358686.db2.gz ZXKKKBGCUNFUDA-DQPZFDDXSA-N 2 1 346.500 1.628 20 30 EDEDMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999683097 707203253 /nfs/dbraw/zinc/20/32/53/707203253.db2.gz VYPZPTIHLIWTEA-LMDPOFIKSA-N 2 1 340.471 1.979 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCCC2)CC1 ZINC001032800465 708080933 /nfs/dbraw/zinc/08/09/33/708080933.db2.gz KCPVKUCXOFYLOT-OALUTQOASA-N 2 1 329.488 1.807 20 30 EDEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034318644 709768318 /nfs/dbraw/zinc/76/83/18/709768318.db2.gz CTMPRNNOIBQWKE-DHADLLTHSA-N 2 1 333.476 1.396 20 30 EDEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034318644 709768321 /nfs/dbraw/zinc/76/83/21/709768321.db2.gz CTMPRNNOIBQWKE-DHADLLTHSA-N 2 1 333.476 1.396 20 30 EDEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034318644 709768323 /nfs/dbraw/zinc/76/83/23/709768323.db2.gz CTMPRNNOIBQWKE-DHADLLTHSA-N 2 1 333.476 1.396 20 30 EDEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394730 709931315 /nfs/dbraw/zinc/93/13/15/709931315.db2.gz QGRBUPWFFPBWFK-DLBZAZTESA-N 2 1 328.460 1.748 20 30 EDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394730 709931316 /nfs/dbraw/zinc/93/13/16/709931316.db2.gz QGRBUPWFFPBWFK-DLBZAZTESA-N 2 1 328.460 1.748 20 30 EDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468336 710047331 /nfs/dbraw/zinc/04/73/31/710047331.db2.gz QZTCCRHOEJSLOG-KRWDZBQOSA-N 2 1 337.427 1.875 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001034468336 710047334 /nfs/dbraw/zinc/04/73/34/710047334.db2.gz QZTCCRHOEJSLOG-KRWDZBQOSA-N 2 1 337.427 1.875 20 30 EDEDMP C#CCN(C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000922255637 710527210 /nfs/dbraw/zinc/52/72/10/710527210.db2.gz VVKGZPNRMBXOSG-KRWDZBQOSA-N 2 1 334.508 1.846 20 30 EDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001004468076 711842374 /nfs/dbraw/zinc/84/23/74/711842374.db2.gz GBPUFGMYRVCFTK-KBAYOESNSA-N 2 1 335.492 1.595 20 30 EDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001004468076 711842376 /nfs/dbraw/zinc/84/23/76/711842376.db2.gz GBPUFGMYRVCFTK-KBAYOESNSA-N 2 1 335.492 1.595 20 30 EDEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004468076 711842379 /nfs/dbraw/zinc/84/23/79/711842379.db2.gz GBPUFGMYRVCFTK-KBAYOESNSA-N 2 1 335.492 1.595 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001004468076 711842381 /nfs/dbraw/zinc/84/23/81/711842381.db2.gz GBPUFGMYRVCFTK-KBAYOESNSA-N 2 1 335.492 1.595 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001004614441 712049027 /nfs/dbraw/zinc/04/90/27/712049027.db2.gz BLBZYBLLWQJMBJ-SFHVURJKSA-N 2 1 328.460 1.918 20 30 EDEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004614441 712049028 /nfs/dbraw/zinc/04/90/28/712049028.db2.gz BLBZYBLLWQJMBJ-SFHVURJKSA-N 2 1 328.460 1.918 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004614441 712049029 /nfs/dbraw/zinc/04/90/29/712049029.db2.gz BLBZYBLLWQJMBJ-SFHVURJKSA-N 2 1 328.460 1.918 20 30 EDEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001004618052 712078229 /nfs/dbraw/zinc/07/82/29/712078229.db2.gz AQFHVUZDVCABEW-OALUTQOASA-N 2 1 347.503 1.433 20 30 EDEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004618052 712078230 /nfs/dbraw/zinc/07/82/30/712078230.db2.gz AQFHVUZDVCABEW-OALUTQOASA-N 2 1 347.503 1.433 20 30 EDEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001004618052 712078231 /nfs/dbraw/zinc/07/82/31/712078231.db2.gz AQFHVUZDVCABEW-OALUTQOASA-N 2 1 347.503 1.433 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001004618052 712078232 /nfs/dbraw/zinc/07/82/32/712078232.db2.gz AQFHVUZDVCABEW-OALUTQOASA-N 2 1 347.503 1.433 20 30 EDEDMP CC[N@@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000073705451 138220559 /nfs/dbraw/zinc/22/05/59/138220559.db2.gz SNTPODLDOTXQOH-GOSISDBHSA-N 2 1 344.459 1.169 20 30 EDEDMP CC[N@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000073705451 138220561 /nfs/dbraw/zinc/22/05/61/138220561.db2.gz SNTPODLDOTXQOH-GOSISDBHSA-N 2 1 344.459 1.169 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC1CCCCC1 ZINC000104161271 237056998 /nfs/dbraw/zinc/05/69/98/237056998.db2.gz RQAOTSVWOVMLKN-UHFFFAOYSA-N 2 1 345.495 1.226 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1cccc(Cl)c1 ZINC000264106798 249335846 /nfs/dbraw/zinc/33/58/46/249335846.db2.gz PTPGZVHHWZGSIC-UHFFFAOYSA-N 2 1 340.855 1.345 20 30 EDEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c2)CCO1 ZINC000424159432 252149119 /nfs/dbraw/zinc/14/91/19/252149119.db2.gz SSPJKKBLSOZNQN-QAPCUYQASA-N 2 1 344.459 1.545 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c2)CCO1 ZINC000424159432 252149121 /nfs/dbraw/zinc/14/91/21/252149121.db2.gz SSPJKKBLSOZNQN-QAPCUYQASA-N 2 1 344.459 1.545 20 30 EDEDMP C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369610416 155109056 /nfs/dbraw/zinc/10/90/56/155109056.db2.gz BDVHHLPWJIRLEI-QGZVFWFLSA-N 2 1 337.427 1.565 20 30 EDEDMP C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369610416 155109060 /nfs/dbraw/zinc/10/90/60/155109060.db2.gz BDVHHLPWJIRLEI-QGZVFWFLSA-N 2 1 337.427 1.565 20 30 EDEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374853786 278134545 /nfs/dbraw/zinc/13/45/45/278134545.db2.gz LHLSQNGRHHZUTK-MRXNPFEDSA-N 2 1 343.475 1.990 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000057155529 441093476 /nfs/dbraw/zinc/09/34/76/441093476.db2.gz HNVHIWRSSKDUHM-UHFFFAOYSA-N 2 1 325.456 1.506 20 30 EDEDMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000081571445 441290970 /nfs/dbraw/zinc/29/09/70/441290970.db2.gz MBZDMVQTGRWEMY-MSOLQXFVSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000081571445 441290974 /nfs/dbraw/zinc/29/09/74/441290974.db2.gz MBZDMVQTGRWEMY-MSOLQXFVSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000081571445 441290978 /nfs/dbraw/zinc/29/09/78/441290978.db2.gz MBZDMVQTGRWEMY-MSOLQXFVSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000081571445 441290981 /nfs/dbraw/zinc/29/09/81/441290981.db2.gz MBZDMVQTGRWEMY-MSOLQXFVSA-N 2 1 331.460 1.962 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000191521432 442458301 /nfs/dbraw/zinc/45/83/01/442458301.db2.gz XQHMIPBCAVHQLT-CQSZACIVSA-N 2 1 335.452 1.558 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000191521432 442458304 /nfs/dbraw/zinc/45/83/04/442458304.db2.gz XQHMIPBCAVHQLT-CQSZACIVSA-N 2 1 335.452 1.558 20 30 EDEDMP C[NH+]=C(NCc1nc(C)cs1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179080108 442567334 /nfs/dbraw/zinc/56/73/34/442567334.db2.gz JJKGMGOTRNRJFA-CQSZACIVSA-N 2 1 337.493 1.181 20 30 EDEDMP N#Cc1ccc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000266208141 443058345 /nfs/dbraw/zinc/05/83/45/443058345.db2.gz NDUJPAXGJHIOAU-UHFFFAOYSA-N 2 1 325.416 1.848 20 30 EDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000264059064 443247489 /nfs/dbraw/zinc/24/74/89/443247489.db2.gz CEXHDCQEAWEAHK-YOEHRIQHSA-N 2 1 334.464 1.771 20 30 EDEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccc(F)c1 ZINC000267407263 443446238 /nfs/dbraw/zinc/44/62/38/443446238.db2.gz HFYIBRKWVJVMEV-UHFFFAOYSA-N 2 1 336.455 1.730 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCNc1ccc2ccccc2n1 ZINC000297163484 444276874 /nfs/dbraw/zinc/27/68/74/444276874.db2.gz AFTANUNDYFCTMV-UHFFFAOYSA-N 2 1 339.443 1.901 20 30 EDEDMP N#Cc1cccc(CNC(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000363180991 445710314 /nfs/dbraw/zinc/71/03/14/445710314.db2.gz PFCJEQRWSQAXJS-GUDVDZBRSA-N 2 1 338.455 1.591 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000434170252 446629171 /nfs/dbraw/zinc/62/91/71/446629171.db2.gz AOUQIYJHPJWBFU-UHFFFAOYSA-N 2 1 338.496 1.389 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000434170252 446629174 /nfs/dbraw/zinc/62/91/74/446629174.db2.gz AOUQIYJHPJWBFU-UHFFFAOYSA-N 2 1 338.496 1.389 20 30 EDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000371296484 446753245 /nfs/dbraw/zinc/75/32/45/446753245.db2.gz ZVUUFBFHVGDZMH-YRXWBPOGSA-N 2 1 329.444 1.775 20 30 EDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000371296484 446753251 /nfs/dbraw/zinc/75/32/51/446753251.db2.gz ZVUUFBFHVGDZMH-YRXWBPOGSA-N 2 1 329.444 1.775 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1CC ZINC000491782239 448121454 /nfs/dbraw/zinc/12/14/54/448121454.db2.gz IADZEFYTGDMCLG-INIZCTEOSA-N 2 1 331.464 1.575 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1CC ZINC000491782239 448121461 /nfs/dbraw/zinc/12/14/61/448121461.db2.gz IADZEFYTGDMCLG-INIZCTEOSA-N 2 1 331.464 1.575 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000491805352 448133525 /nfs/dbraw/zinc/13/35/25/448133525.db2.gz OECKXSSFTJOUJH-AEFFLSMTSA-N 2 1 332.492 1.600 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000491805352 448133528 /nfs/dbraw/zinc/13/35/28/448133528.db2.gz OECKXSSFTJOUJH-AEFFLSMTSA-N 2 1 332.492 1.600 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000491805352 448133534 /nfs/dbraw/zinc/13/35/34/448133534.db2.gz OECKXSSFTJOUJH-AEFFLSMTSA-N 2 1 332.492 1.600 20 30 EDEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CCCO1 ZINC000577502888 448315449 /nfs/dbraw/zinc/31/54/49/448315449.db2.gz IISBDVZTFSUCBD-SJLPKXTDSA-N 2 1 347.459 1.388 20 30 EDEDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528560116 448588063 /nfs/dbraw/zinc/58/80/63/448588063.db2.gz HXSYOYOERAPPAE-QZTJIDSGSA-N 2 1 347.459 1.341 20 30 EDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCO1 ZINC000528560116 448588068 /nfs/dbraw/zinc/58/80/68/448588068.db2.gz HXSYOYOERAPPAE-QZTJIDSGSA-N 2 1 347.459 1.341 20 30 EDEDMP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)Nc1sccc1C#N)CCO2 ZINC000592182732 448725583 /nfs/dbraw/zinc/72/55/83/448725583.db2.gz QUUSCOROIXZDJX-UHFFFAOYSA-N 2 1 348.472 1.745 20 30 EDEDMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)Nc1sccc1C#N)CCO2 ZINC000592182732 448725589 /nfs/dbraw/zinc/72/55/89/448725589.db2.gz QUUSCOROIXZDJX-UHFFFAOYSA-N 2 1 348.472 1.745 20 30 EDEDMP CC(C)[C@@H]1C[NH+](C)CCN1CC#CCN1CC[N@H+](C)C[C@H]1C(C)C ZINC000579584689 448827322 /nfs/dbraw/zinc/82/73/22/448827322.db2.gz JPXJRJWQGXLDGA-PMACEKPBSA-N 2 1 334.552 1.534 20 30 EDEDMP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597942308 449152739 /nfs/dbraw/zinc/15/27/39/449152739.db2.gz LJGOOHWHWBMVPQ-JKSUJKDBSA-N 2 1 346.475 1.714 20 30 EDEDMP C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597942308 449152740 /nfs/dbraw/zinc/15/27/40/449152740.db2.gz LJGOOHWHWBMVPQ-JKSUJKDBSA-N 2 1 346.475 1.714 20 30 EDEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000596065358 449344442 /nfs/dbraw/zinc/34/44/42/449344442.db2.gz HFFBKMKDQPSQBH-MSOLQXFVSA-N 2 1 345.443 1.141 20 30 EDEDMP C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000598605927 449488127 /nfs/dbraw/zinc/48/81/27/449488127.db2.gz HXQVNMDKPJKSIO-AZUAARDMSA-N 2 1 345.487 1.856 20 30 EDEDMP C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000598605927 449488133 /nfs/dbraw/zinc/48/81/33/449488133.db2.gz HXQVNMDKPJKSIO-AZUAARDMSA-N 2 1 345.487 1.856 20 30 EDEDMP C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000598605927 449488138 /nfs/dbraw/zinc/48/81/38/449488138.db2.gz HXQVNMDKPJKSIO-AZUAARDMSA-N 2 1 345.487 1.856 20 30 EDEDMP C[NH+](C[C@@H](O)CC(C)(C)C#N)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000598605927 449488139 /nfs/dbraw/zinc/48/81/39/449488139.db2.gz HXQVNMDKPJKSIO-AZUAARDMSA-N 2 1 345.487 1.856 20 30 EDEDMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000600736381 449525677 /nfs/dbraw/zinc/52/56/77/449525677.db2.gz YFAYFKPOGAJTMT-OALUTQOASA-N 2 1 343.471 1.922 20 30 EDEDMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000600736381 449525679 /nfs/dbraw/zinc/52/56/79/449525679.db2.gz YFAYFKPOGAJTMT-OALUTQOASA-N 2 1 343.471 1.922 20 30 EDEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600720915 449517122 /nfs/dbraw/zinc/51/71/22/449517122.db2.gz RNZBNMMKDWQXPL-RHSMWYFYSA-N 2 1 328.416 1.729 20 30 EDEDMP C=CC[C@@]1(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCC[NH2+]1 ZINC000662445510 453152190 /nfs/dbraw/zinc/15/21/90/453152190.db2.gz RWOUJDZNNYJUFE-IBGZPJMESA-N 2 1 335.492 1.836 20 30 EDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CC)CC1 ZINC000669033482 485582789 /nfs/dbraw/zinc/58/27/89/485582789.db2.gz QAEWBNVJYYTMGN-CVEARBPZSA-N 2 1 346.479 1.142 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000895885578 591296752 /nfs/dbraw/zinc/29/67/52/591296752.db2.gz RGTUQZMAWOHNIB-OALUTQOASA-N 2 1 325.456 1.847 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000895885578 591296754 /nfs/dbraw/zinc/29/67/54/591296754.db2.gz RGTUQZMAWOHNIB-OALUTQOASA-N 2 1 325.456 1.847 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000839576547 593342030 /nfs/dbraw/zinc/34/20/30/593342030.db2.gz OAIXEMGCIVVXRO-QGZVFWFLSA-N 2 1 335.517 1.371 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000843798839 595189730 /nfs/dbraw/zinc/18/97/30/595189730.db2.gz FJZXXGNHTIRMJH-KURKYZTESA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000843798839 595189733 /nfs/dbraw/zinc/18/97/33/595189733.db2.gz FJZXXGNHTIRMJH-KURKYZTESA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCOCC)C[C@H]1C ZINC000843798839 595189736 /nfs/dbraw/zinc/18/97/36/595189736.db2.gz FJZXXGNHTIRMJH-KURKYZTESA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCOCC)C[C@H]1C ZINC000843798839 595189739 /nfs/dbraw/zinc/18/97/39/595189739.db2.gz FJZXXGNHTIRMJH-KURKYZTESA-N 2 1 335.492 1.337 20 30 EDEDMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C#CC2CC[NH2+]CC2)cc1F ZINC000852861970 595582743 /nfs/dbraw/zinc/58/27/43/595582743.db2.gz ONNVWKGTLLIZJY-UHFFFAOYSA-N 2 1 340.402 1.939 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000859524803 596121574 /nfs/dbraw/zinc/12/15/74/596121574.db2.gz IZMJUCRGCSPGSU-UXHICEINSA-N 2 1 339.483 1.936 20 30 EDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000867975490 596640976 /nfs/dbraw/zinc/64/09/76/596640976.db2.gz VRCPOEYLHHFQBS-LJQANCHMSA-N 2 1 348.406 1.866 20 30 EDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000876557038 597239479 /nfs/dbraw/zinc/23/94/79/597239479.db2.gz TUPQOXTVULSAND-AWEZNQCLSA-N 2 1 329.872 1.608 20 30 EDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCN2Cc3ccccc3C2)C1 ZINC000884102441 597995950 /nfs/dbraw/zinc/99/59/50/597995950.db2.gz CRULHIZSJFCGNQ-GOSISDBHSA-N 2 1 326.444 1.399 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCN2Cc3ccccc3C2)C1 ZINC000884102441 597995953 /nfs/dbraw/zinc/99/59/53/597995953.db2.gz CRULHIZSJFCGNQ-GOSISDBHSA-N 2 1 326.444 1.399 20 30 EDEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@@H+](C)Cc1ccccc1 ZINC000884219907 598033033 /nfs/dbraw/zinc/03/30/33/598033033.db2.gz AQEPHSREUQTBFX-FTSJTYPLSA-N 2 1 340.471 1.762 20 30 EDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000939409097 699563326 /nfs/dbraw/zinc/56/33/26/699563326.db2.gz RXORVSONIGNBFE-PBHICJAKSA-N 2 1 325.416 1.894 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cscn3)C2)CC1 ZINC000939813015 699960451 /nfs/dbraw/zinc/96/04/51/699960451.db2.gz XMVCGTTXUQRMOA-RHSMWYFYSA-N 2 1 346.500 1.425 20 30 EDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901660 700976647 /nfs/dbraw/zinc/97/66/47/700976647.db2.gz PVPDEXXFZAVDDS-MUZJZNNISA-N 2 1 345.487 1.090 20 30 EDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901660 700976648 /nfs/dbraw/zinc/97/66/48/700976648.db2.gz PVPDEXXFZAVDDS-MUZJZNNISA-N 2 1 345.487 1.090 20 30 EDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901660 700976649 /nfs/dbraw/zinc/97/66/49/700976649.db2.gz PVPDEXXFZAVDDS-MUZJZNNISA-N 2 1 345.487 1.090 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456892 701543109 /nfs/dbraw/zinc/54/31/09/701543109.db2.gz VJHBERKTJMCJSB-AEFFLSMTSA-N 2 1 332.492 1.018 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)C1 ZINC000941456892 701543110 /nfs/dbraw/zinc/54/31/10/701543110.db2.gz VJHBERKTJMCJSB-AEFFLSMTSA-N 2 1 332.492 1.018 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000921678153 706616409 /nfs/dbraw/zinc/61/64/09/706616409.db2.gz ILXCSXMCHHMSCN-OALUTQOASA-N 2 1 340.471 1.829 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(Cc2ccc(F)c(C#N)c2)C1 ZINC001031977688 702031261 /nfs/dbraw/zinc/03/12/61/702031261.db2.gz GKCJRIRMEBXZEA-CXAGYDPISA-N 2 1 344.434 1.443 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000995900409 702206210 /nfs/dbraw/zinc/20/62/10/702206210.db2.gz XZMNVZLNMFMHRU-IAGOWNOFSA-N 2 1 333.476 1.090 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC000996650343 702940256 /nfs/dbraw/zinc/94/02/56/702940256.db2.gz WEJVEVZTERHIGR-KBPBESRZSA-N 2 1 329.872 1.286 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC000996650343 702940258 /nfs/dbraw/zinc/94/02/58/702940258.db2.gz WEJVEVZTERHIGR-KBPBESRZSA-N 2 1 329.872 1.286 20 30 EDEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000996673217 702968770 /nfs/dbraw/zinc/96/87/70/702968770.db2.gz UFXZRVCNMHMIBL-HNNXBMFYSA-N 2 1 339.871 1.146 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCN2CC#C)CC1 ZINC001004459611 704453351 /nfs/dbraw/zinc/45/33/51/704453351.db2.gz VIBGGWWAIFWXEB-UXHICEINSA-N 2 1 341.499 1.810 20 30 EDEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001004459611 704453352 /nfs/dbraw/zinc/45/33/52/704453352.db2.gz VIBGGWWAIFWXEB-UXHICEINSA-N 2 1 341.499 1.810 20 30 EDEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001004459611 704453353 /nfs/dbraw/zinc/45/33/53/704453353.db2.gz VIBGGWWAIFWXEB-UXHICEINSA-N 2 1 341.499 1.810 20 30 EDEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC001004459611 704453354 /nfs/dbraw/zinc/45/33/54/704453354.db2.gz VIBGGWWAIFWXEB-UXHICEINSA-N 2 1 341.499 1.810 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC001004459611 704453355 /nfs/dbraw/zinc/45/33/55/704453355.db2.gz VIBGGWWAIFWXEB-UXHICEINSA-N 2 1 341.499 1.810 20 30 EDEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997733718 704632448 /nfs/dbraw/zinc/63/24/48/704632448.db2.gz CHISWGKKSDXPAG-MAUKXSAKSA-N 2 1 342.487 1.994 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC#C)CC2)CC1 ZINC000998198033 705503444 /nfs/dbraw/zinc/50/34/44/705503444.db2.gz NAMCGXSTAZGPNH-LJQANCHMSA-N 2 1 329.488 1.668 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000999393162 706887570 /nfs/dbraw/zinc/88/75/70/706887570.db2.gz WRXMXCXXVDLDOV-WBVHZDCISA-N 2 1 346.500 1.364 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000999393162 706887572 /nfs/dbraw/zinc/88/75/72/706887572.db2.gz WRXMXCXXVDLDOV-WBVHZDCISA-N 2 1 346.500 1.364 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001033265481 707289014 /nfs/dbraw/zinc/28/90/14/707289014.db2.gz HYIISSQKEJYLME-GOSISDBHSA-N 2 1 337.427 1.796 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033265481 707289017 /nfs/dbraw/zinc/28/90/17/707289017.db2.gz HYIISSQKEJYLME-GOSISDBHSA-N 2 1 337.427 1.796 20 30 EDEDMP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999988419 707662320 /nfs/dbraw/zinc/66/23/20/707662320.db2.gz UWAGEYFLSOONFS-HYVNUMGLSA-N 2 1 346.479 1.057 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999988419 707662322 /nfs/dbraw/zinc/66/23/22/707662322.db2.gz UWAGEYFLSOONFS-HYVNUMGLSA-N 2 1 346.479 1.057 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999988419 707662324 /nfs/dbraw/zinc/66/23/24/707662324.db2.gz UWAGEYFLSOONFS-HYVNUMGLSA-N 2 1 346.479 1.057 20 30 EDEDMP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999989943 707665205 /nfs/dbraw/zinc/66/52/05/707665205.db2.gz IHNBZQQLHBODMS-SJORKVTESA-N 2 1 346.479 1.200 20 30 EDEDMP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999989943 707665208 /nfs/dbraw/zinc/66/52/08/707665208.db2.gz IHNBZQQLHBODMS-SJORKVTESA-N 2 1 346.479 1.200 20 30 EDEDMP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999989943 707665210 /nfs/dbraw/zinc/66/52/10/707665210.db2.gz IHNBZQQLHBODMS-SJORKVTESA-N 2 1 346.479 1.200 20 30 EDEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004614470 712049288 /nfs/dbraw/zinc/04/92/88/712049288.db2.gz BNYZYUMLQJTPLC-ZWKOTPCHSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004614470 712049290 /nfs/dbraw/zinc/04/92/90/712049290.db2.gz BNYZYUMLQJTPLC-ZWKOTPCHSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004614470 712049293 /nfs/dbraw/zinc/04/92/93/712049293.db2.gz BNYZYUMLQJTPLC-ZWKOTPCHSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004614470 712049296 /nfs/dbraw/zinc/04/92/96/712049296.db2.gz BNYZYUMLQJTPLC-ZWKOTPCHSA-N 2 1 335.492 1.596 20 30 EDEDMP CC[N@@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC000073107972 138213868 /nfs/dbraw/zinc/21/38/68/138213868.db2.gz UZFSXFXSQGUZRQ-GOSISDBHSA-N 2 1 344.459 1.169 20 30 EDEDMP CC[N@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC000073107972 138213870 /nfs/dbraw/zinc/21/38/70/138213870.db2.gz UZFSXFXSQGUZRQ-GOSISDBHSA-N 2 1 344.459 1.169 20 30 EDEDMP N#Cc1ccc(CN2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2=O)cc1 ZINC000249067680 139184580 /nfs/dbraw/zinc/18/45/80/139184580.db2.gz PZBLPEPYUGFRKZ-FHWLQOOXSA-N 2 1 338.455 1.876 20 30 EDEDMP N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2=O)cc1 ZINC000249067680 139184581 /nfs/dbraw/zinc/18/45/81/139184581.db2.gz PZBLPEPYUGFRKZ-FHWLQOOXSA-N 2 1 338.455 1.876 20 30 EDEDMP N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2=O)cc1 ZINC000249067680 139184582 /nfs/dbraw/zinc/18/45/82/139184582.db2.gz PZBLPEPYUGFRKZ-FHWLQOOXSA-N 2 1 338.455 1.876 20 30 EDEDMP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccccc1 ZINC000424184059 252156660 /nfs/dbraw/zinc/15/66/60/252156660.db2.gz KZOOSJRWJLQONM-SQNIBIBYSA-N 2 1 344.459 1.586 20 30 EDEDMP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccccc1 ZINC000424184059 252156661 /nfs/dbraw/zinc/15/66/61/252156661.db2.gz KZOOSJRWJLQONM-SQNIBIBYSA-N 2 1 344.459 1.586 20 30 EDEDMP N#Cc1ncn(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000367520758 154158973 /nfs/dbraw/zinc/15/89/73/154158973.db2.gz YPDGBIDJCFHKBV-OKZBNKHCSA-N 2 1 336.443 1.650 20 30 EDEDMP N#Cc1ccc(CNC(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000369598710 155103494 /nfs/dbraw/zinc/10/34/94/155103494.db2.gz BTWKZUWGJCIYOE-QRVBRYPASA-N 2 1 338.455 1.591 20 30 EDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000528389034 268302434 /nfs/dbraw/zinc/30/24/34/268302434.db2.gz RYRXLSIJORUBTP-SJLPKXTDSA-N 2 1 329.444 1.716 20 30 EDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000528389034 268302436 /nfs/dbraw/zinc/30/24/36/268302436.db2.gz RYRXLSIJORUBTP-SJLPKXTDSA-N 2 1 329.444 1.716 20 30 EDEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000530235134 268304071 /nfs/dbraw/zinc/30/40/71/268304071.db2.gz WQOYFDNWDSNAMF-DAWZGUTISA-N 2 1 329.444 1.904 20 30 EDEDMP CCC[N@@H+](CC)CCNC(=[NH2+])NC1CCN(C(=O)OCC)CC1 ZINC000083052945 441347822 /nfs/dbraw/zinc/34/78/22/441347822.db2.gz ZIFBMTZAKWITIE-UHFFFAOYSA-N 2 1 327.473 1.244 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245539191 443235870 /nfs/dbraw/zinc/23/58/70/443235870.db2.gz ZVUYPMDAQBSYKA-RTBURBONSA-N 2 1 348.535 1.677 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245539191 443235872 /nfs/dbraw/zinc/23/58/72/443235872.db2.gz ZVUYPMDAQBSYKA-RTBURBONSA-N 2 1 348.535 1.677 20 30 EDEDMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)CN1CC[NH+](C)CC1 ZINC000264085448 443248535 /nfs/dbraw/zinc/24/85/35/443248535.db2.gz JGMAMLBRXKCDDA-OAHLLOKOSA-N 2 1 329.492 1.785 20 30 EDEDMP COc1ccccc1[C@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCC1 ZINC000264137638 443252720 /nfs/dbraw/zinc/25/27/20/443252720.db2.gz VSCNKGLSSWVFPV-INIZCTEOSA-N 2 1 332.448 1.479 20 30 EDEDMP Cc1cccc2[nH]cc(CCNC(=[NH2+])NCCC[NH+]3CCOCC3)c21 ZINC000264158058 443253407 /nfs/dbraw/zinc/25/34/07/443253407.db2.gz ATUADROKPXABPQ-UHFFFAOYSA-N 2 1 343.475 1.645 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(OC)cc1 ZINC000267468485 443468121 /nfs/dbraw/zinc/46/81/21/443468121.db2.gz XCTSPNVMUAOSET-HUUCEWRRSA-N 2 1 334.464 1.851 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(OC)cc1 ZINC000267468486 443468334 /nfs/dbraw/zinc/46/83/34/443468334.db2.gz XCTSPNVMUAOSET-LSDHHAIUSA-N 2 1 334.464 1.851 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000286363481 443698849 /nfs/dbraw/zinc/69/88/49/443698849.db2.gz BZPMSJJRBYPKLB-UHFFFAOYSA-N 2 1 331.460 1.905 20 30 EDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CN(C)CCO2)CCC[N@H+]1C ZINC000329191685 444496453 /nfs/dbraw/zinc/49/64/53/444496453.db2.gz QNTUHCIILOHMJA-CWRNSKLLSA-N 2 1 335.452 1.090 20 30 EDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CN(C)CCO2)CCCN1C ZINC000329191685 444496455 /nfs/dbraw/zinc/49/64/55/444496455.db2.gz QNTUHCIILOHMJA-CWRNSKLLSA-N 2 1 335.452 1.090 20 30 EDEDMP C=C(C)C[NH+]1CCC(Nc2nc(N[C@H]3CCCOC3)cc[nH+]2)CC1 ZINC000333145583 444642606 /nfs/dbraw/zinc/64/26/06/444642606.db2.gz LDWSIAVEZJCYNO-INIZCTEOSA-N 2 1 331.464 2.520 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367619825 446568790 /nfs/dbraw/zinc/56/87/90/446568790.db2.gz WQBOUBHUQOCMHS-HKUYNNGSSA-N 2 1 348.535 1.676 20 30 EDEDMP C#C[C@@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000491790244 448124320 /nfs/dbraw/zinc/12/43/20/448124320.db2.gz XXFONCJMFLPIPR-MRXNPFEDSA-N 2 1 334.851 1.851 20 30 EDEDMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000566168884 448401740 /nfs/dbraw/zinc/40/17/40/448401740.db2.gz VYZNXMCYFRHSPN-QGZVFWFLSA-N 2 1 329.448 1.394 20 30 EDEDMP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000594441229 449519906 /nfs/dbraw/zinc/51/99/06/449519906.db2.gz OZVMVYPHFARKCU-SFHVURJKSA-N 2 1 344.459 1.546 20 30 EDEDMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594443336 449520786 /nfs/dbraw/zinc/52/07/86/449520786.db2.gz DGHHWTQXILXVRO-HZPDHXFCSA-N 2 1 330.432 1.579 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1CCC(C#N)CC1 ZINC000596596893 449566707 /nfs/dbraw/zinc/56/67/07/449566707.db2.gz XEMMMBQFRBPJNA-GTPINHCMSA-N 2 1 337.512 1.888 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1CCC(C#N)CC1 ZINC000596596893 449566713 /nfs/dbraw/zinc/56/67/13/449566713.db2.gz XEMMMBQFRBPJNA-GTPINHCMSA-N 2 1 337.512 1.888 20 30 EDEDMP N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCOCC1 ZINC000599300081 449873805 /nfs/dbraw/zinc/87/38/05/449873805.db2.gz MJLUQUROFKRREZ-ROUUACIJSA-N 2 1 335.492 1.866 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc(OC)ccc1OC ZINC000264066160 535597320 /nfs/dbraw/zinc/59/73/20/535597320.db2.gz FBNTXZLHUHCQMT-HNNXBMFYSA-N 2 1 334.464 1.635 20 30 EDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2cccc(C#N)c2)C1 ZINC000779646642 580492535 /nfs/dbraw/zinc/49/25/35/580492535.db2.gz TWGMMDDGLKFPSR-OAHLLOKOSA-N 2 1 345.403 1.104 20 30 EDEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2cccc(C#N)c2)C1 ZINC000779646642 580492536 /nfs/dbraw/zinc/49/25/36/580492536.db2.gz TWGMMDDGLKFPSR-OAHLLOKOSA-N 2 1 345.403 1.104 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000780070925 580511074 /nfs/dbraw/zinc/51/10/74/580511074.db2.gz LJMLCDHQLGYCEN-OALUTQOASA-N 2 1 340.471 1.460 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000780070925 580511075 /nfs/dbraw/zinc/51/10/75/580511075.db2.gz LJMLCDHQLGYCEN-OALUTQOASA-N 2 1 340.471 1.460 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000780070925 580511076 /nfs/dbraw/zinc/51/10/76/580511076.db2.gz LJMLCDHQLGYCEN-OALUTQOASA-N 2 1 340.471 1.460 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000780070925 580511077 /nfs/dbraw/zinc/51/10/77/580511077.db2.gz LJMLCDHQLGYCEN-OALUTQOASA-N 2 1 340.471 1.460 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000900464564 592026125 /nfs/dbraw/zinc/02/61/25/592026125.db2.gz PQWPWCNONWYVRQ-HDICACEKSA-N 2 1 336.524 1.511 20 30 EDEDMP C=CCCn1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nn1 ZINC000903506076 592181993 /nfs/dbraw/zinc/18/19/93/592181993.db2.gz NTWHLFAEVDHJHM-HDICACEKSA-N 2 1 330.480 1.255 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000836488089 594968681 /nfs/dbraw/zinc/96/86/81/594968681.db2.gz GIDXWYOHQPZECI-HKUYNNGSSA-N 2 1 342.487 1.904 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000836488089 594968682 /nfs/dbraw/zinc/96/86/82/594968682.db2.gz GIDXWYOHQPZECI-HKUYNNGSSA-N 2 1 342.487 1.904 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000836488089 594968684 /nfs/dbraw/zinc/96/86/84/594968684.db2.gz GIDXWYOHQPZECI-HKUYNNGSSA-N 2 1 342.487 1.904 20 30 EDEDMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000843116192 595290869 /nfs/dbraw/zinc/29/08/69/595290869.db2.gz WGTQLESWLXWQIO-VQIMIIECSA-N 2 1 340.427 1.236 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000852863983 595584749 /nfs/dbraw/zinc/58/47/49/595584749.db2.gz VKFLDYHBCYLDCJ-HXUWFJFHSA-N 2 1 339.483 1.670 20 30 EDEDMP C#CCCOc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000113336904 595712414 /nfs/dbraw/zinc/71/24/14/595712414.db2.gz MWXZCPZFXGDMPT-SFHVURJKSA-N 2 1 343.471 1.766 20 30 EDEDMP C#CCOc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000113336878 595712696 /nfs/dbraw/zinc/71/26/96/595712696.db2.gz ZEXUFCMPLSRUQD-KRWDZBQOSA-N 2 1 329.444 1.376 20 30 EDEDMP C#CCOc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000119528654 596626730 /nfs/dbraw/zinc/62/67/30/596626730.db2.gz LGIBJWOWMPRMPE-UHFFFAOYSA-N 2 1 327.472 1.912 20 30 EDEDMP C#C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000872215646 596839106 /nfs/dbraw/zinc/83/91/06/596839106.db2.gz DPSPBQFQRHLFPQ-UXHICEINSA-N 2 1 328.456 1.641 20 30 EDEDMP C#C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000872215646 596839109 /nfs/dbraw/zinc/83/91/09/596839109.db2.gz DPSPBQFQRHLFPQ-UXHICEINSA-N 2 1 328.456 1.641 20 30 EDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000876557040 597239573 /nfs/dbraw/zinc/23/95/73/597239573.db2.gz TUPQOXTVULSAND-CQSZACIVSA-N 2 1 329.872 1.608 20 30 EDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000876753990 597322643 /nfs/dbraw/zinc/32/26/43/597322643.db2.gz LKLIAWPOCIVOMB-MJGOQNOKSA-N 2 1 338.455 1.832 20 30 EDEDMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801735 597345101 /nfs/dbraw/zinc/34/51/01/597345101.db2.gz IDBCJDSAENLDOG-FCGDIQPGSA-N 2 1 340.471 1.762 20 30 EDEDMP C#CCN(C(=O)NCC[N@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000914333023 695365350 /nfs/dbraw/zinc/36/53/50/695365350.db2.gz OHOHYRKOGCMYOX-UHFFFAOYSA-N 2 1 342.487 1.857 20 30 EDEDMP C#CCN(C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000914342041 695366723 /nfs/dbraw/zinc/36/67/23/695366723.db2.gz VEYJJKXVTAPDIF-SJORKVTESA-N 2 1 334.508 1.846 20 30 EDEDMP C#CCN(C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)C1CC[NH+](C)CC1 ZINC000921426820 697603663 /nfs/dbraw/zinc/60/36/63/697603663.db2.gz MWTJZRWTJOPIIU-KRWDZBQOSA-N 2 1 334.508 1.703 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000939753724 699903414 /nfs/dbraw/zinc/90/34/14/699903414.db2.gz HYVWXFPRMDGVOY-KBXCAEBGSA-N 2 1 337.427 1.700 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ncc(C)o3)[C@@H](C)C2)CC1 ZINC000939811833 699959788 /nfs/dbraw/zinc/95/97/88/699959788.db2.gz VCVUGCVZULJODL-YOEHRIQHSA-N 2 1 344.459 1.265 20 30 EDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033740 701076895 /nfs/dbraw/zinc/07/68/95/701076895.db2.gz UJISGVILRMLEIS-AEFFLSMTSA-N 2 1 342.487 1.994 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033740 701076897 /nfs/dbraw/zinc/07/68/97/701076897.db2.gz UJISGVILRMLEIS-AEFFLSMTSA-N 2 1 342.487 1.994 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942520534 703022339 /nfs/dbraw/zinc/02/23/39/703022339.db2.gz HDBBIKHTXSLVGP-JKSUJKDBSA-N 2 1 328.460 1.612 20 30 EDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942520534 703022342 /nfs/dbraw/zinc/02/23/42/703022342.db2.gz HDBBIKHTXSLVGP-JKSUJKDBSA-N 2 1 328.460 1.612 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000997004192 703261209 /nfs/dbraw/zinc/26/12/09/703261209.db2.gz BXIFALVDUUPYMP-HNAYVOBHSA-N 2 1 340.471 1.837 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC000997297281 703555763 /nfs/dbraw/zinc/55/57/63/703555763.db2.gz DZUDFAYIHLQWJC-KRWDZBQOSA-N 2 1 326.444 1.591 20 30 EDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032443927 703620834 /nfs/dbraw/zinc/62/08/34/703620834.db2.gz FVRPFNFLOFPLNL-BZSNNMDCSA-N 2 1 333.476 1.491 20 30 EDEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032443927 703620836 /nfs/dbraw/zinc/62/08/36/703620836.db2.gz FVRPFNFLOFPLNL-BZSNNMDCSA-N 2 1 333.476 1.491 20 30 EDEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001032443927 703620838 /nfs/dbraw/zinc/62/08/38/703620838.db2.gz FVRPFNFLOFPLNL-BZSNNMDCSA-N 2 1 333.476 1.491 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000997624571 703921014 /nfs/dbraw/zinc/92/10/14/703921014.db2.gz UJXHRBOXIQJPLU-LNLFQRSKSA-N 2 1 347.503 1.337 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000997624571 703921015 /nfs/dbraw/zinc/92/10/15/703921015.db2.gz UJXHRBOXIQJPLU-LNLFQRSKSA-N 2 1 347.503 1.337 20 30 EDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC[C@@H]2C1 ZINC000946598117 704298852 /nfs/dbraw/zinc/29/88/52/704298852.db2.gz YEXPBTBBRYKQLM-CALCHBBNSA-N 2 1 345.491 1.415 20 30 EDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597965 704309217 /nfs/dbraw/zinc/30/92/17/704309217.db2.gz SCUQFUNPLFROKZ-ZSYWTGECSA-N 2 1 345.487 1.043 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC000998264903 705631214 /nfs/dbraw/zinc/63/12/14/705631214.db2.gz COUMYOCCDBJICI-ZIAGYGMSSA-N 2 1 331.382 1.473 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033255360 707244089 /nfs/dbraw/zinc/24/40/89/707244089.db2.gz KGJGMRHZUUKWPM-INIZCTEOSA-N 2 1 325.416 1.990 20 30 EDEDMP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001002478355 709027172 /nfs/dbraw/zinc/02/71/72/709027172.db2.gz BLOCJUGCBMODDY-SFHVURJKSA-N 2 1 326.444 1.733 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001002478355 709027173 /nfs/dbraw/zinc/02/71/73/709027173.db2.gz BLOCJUGCBMODDY-SFHVURJKSA-N 2 1 326.444 1.733 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907165 709038722 /nfs/dbraw/zinc/03/87/22/709038722.db2.gz QSYUMQWBFUXFJL-AGYKMIKPSA-N 2 1 347.503 1.739 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033907165 709038725 /nfs/dbraw/zinc/03/87/25/709038725.db2.gz QSYUMQWBFUXFJL-AGYKMIKPSA-N 2 1 347.503 1.739 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033907165 709038729 /nfs/dbraw/zinc/03/87/29/709038729.db2.gz QSYUMQWBFUXFJL-AGYKMIKPSA-N 2 1 347.503 1.739 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001005519588 709506514 /nfs/dbraw/zinc/50/65/14/709506514.db2.gz XBXLZTPEYSDWON-MJGOQNOKSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001005519588 709506517 /nfs/dbraw/zinc/50/65/17/709506517.db2.gz XBXLZTPEYSDWON-MJGOQNOKSA-N 2 1 347.503 1.433 20 30 EDEDMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001003977056 711148271 /nfs/dbraw/zinc/14/82/71/711148271.db2.gz VDAWLZJZHQMSFD-GOSISDBHSA-N 2 1 340.471 1.981 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1nc(-c2ccccc2)c[nH]1 ZINC000264083931 249332941 /nfs/dbraw/zinc/33/29/41/249332941.db2.gz IHPKRJCSCUQAOS-UHFFFAOYSA-N 2 1 342.447 1.203 20 30 EDEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000376057058 250284163 /nfs/dbraw/zinc/28/41/63/250284163.db2.gz PJJUHVDRVLKFMH-GVDBMIGSSA-N 2 1 336.480 1.228 20 30 EDEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000376057058 250284169 /nfs/dbraw/zinc/28/41/69/250284169.db2.gz PJJUHVDRVLKFMH-GVDBMIGSSA-N 2 1 336.480 1.228 20 30 EDEDMP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000360694591 152157372 /nfs/dbraw/zinc/15/73/72/152157372.db2.gz YNEXCEXVFFYNNO-AHRSYUTCSA-N 2 1 342.487 1.549 20 30 EDEDMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000360694591 152157376 /nfs/dbraw/zinc/15/73/76/152157376.db2.gz YNEXCEXVFFYNNO-AHRSYUTCSA-N 2 1 342.487 1.549 20 30 EDEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C1 ZINC000364564936 153272852 /nfs/dbraw/zinc/27/28/52/153272852.db2.gz UYIFBCZDXCMRSS-SFHVURJKSA-N 2 1 328.460 1.649 20 30 EDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C1 ZINC000364564936 153272857 /nfs/dbraw/zinc/27/28/57/153272857.db2.gz UYIFBCZDXCMRSS-SFHVURJKSA-N 2 1 328.460 1.649 20 30 EDEDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCN(c3sccc3C#N)C1=O)C2 ZINC000378052999 158065624 /nfs/dbraw/zinc/06/56/24/158065624.db2.gz DXNTWBDUXXVODR-KGLIPLIRSA-N 2 1 341.440 1.835 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)cn1C ZINC000081729036 287315087 /nfs/dbraw/zinc/31/50/87/287315087.db2.gz ANTDXUFLZBOFLM-INIZCTEOSA-N 2 1 331.464 1.385 20 30 EDEDMP C#CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC000491639135 275381186 /nfs/dbraw/zinc/38/11/86/275381186.db2.gz YAZVHIHTLYFZHY-IBGZPJMESA-N 2 1 325.456 1.773 20 30 EDEDMP C#CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCc2ccccc21 ZINC000491639135 275381187 /nfs/dbraw/zinc/38/11/87/275381187.db2.gz YAZVHIHTLYFZHY-IBGZPJMESA-N 2 1 325.456 1.773 20 30 EDEDMP CCN(CC)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000170905813 442286637 /nfs/dbraw/zinc/28/66/37/442286637.db2.gz XPUUVWRBQWNBRS-UHFFFAOYSA-N 2 1 347.507 1.659 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1c2ccccc2NC1=O ZINC000170907436 442286700 /nfs/dbraw/zinc/28/67/00/442286700.db2.gz KRWNALLYQCDZOK-UKRRQHHQSA-N 2 1 329.448 1.501 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000188570947 442764643 /nfs/dbraw/zinc/76/46/43/442764643.db2.gz XMRQWNOZJVDNEA-OAHLLOKOSA-N 2 1 338.496 1.123 20 30 EDEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262002207 443179035 /nfs/dbraw/zinc/17/90/35/443179035.db2.gz UTAOQRIVNRHYLJ-JSGCOSHPSA-N 2 1 334.493 1.790 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OC(F)F)c1 ZINC000284182840 443769193 /nfs/dbraw/zinc/76/91/93/443769193.db2.gz XSZULPZOTNALGC-GFCCVEGCSA-N 2 1 327.379 1.572 20 30 EDEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303988131 444239460 /nfs/dbraw/zinc/23/94/60/444239460.db2.gz WGRVAGMDYMQPEL-UHFFFAOYSA-N 2 1 327.473 1.194 20 30 EDEDMP CCN1C[C@H](C)N(C(=O)N[C@@H]2CCN(c3ccccn3)C2)C[C@H]1C ZINC000329004191 444442081 /nfs/dbraw/zinc/44/20/81/444442081.db2.gz YFMZSYYMDLALRZ-OWCLPIDISA-N 2 1 331.464 1.989 20 30 EDEDMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000329930360 444773828 /nfs/dbraw/zinc/77/38/28/444773828.db2.gz OIQRMZZUYGALIZ-HZPDHXFCSA-N 2 1 338.496 1.352 20 30 EDEDMP N#CCNC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000362397891 445359469 /nfs/dbraw/zinc/35/94/69/445359469.db2.gz TWPKYBYZSCNGGG-UHFFFAOYSA-N 2 1 326.444 1.614 20 30 EDEDMP C=C[C@@](C)(CCOC)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364842772 445961361 /nfs/dbraw/zinc/96/13/61/445961361.db2.gz BATZPTPTFNJFDK-HKUYNNGSSA-N 2 1 337.508 1.842 20 30 EDEDMP C=C[C@@](C)(CCOC)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364842772 445961366 /nfs/dbraw/zinc/96/13/66/445961366.db2.gz BATZPTPTFNJFDK-HKUYNNGSSA-N 2 1 337.508 1.842 20 30 EDEDMP Cn1cc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1C#N ZINC000575850594 447912192 /nfs/dbraw/zinc/91/21/92/447912192.db2.gz QGKNNEDKUSGKDP-FQEVSTJZSA-N 2 1 337.471 1.975 20 30 EDEDMP C#CCNC(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000491475132 448037061 /nfs/dbraw/zinc/03/70/61/448037061.db2.gz TYBDHUYMUYMEPN-INIZCTEOSA-N 2 1 333.501 1.950 20 30 EDEDMP C#CCNC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000491475132 448037066 /nfs/dbraw/zinc/03/70/66/448037066.db2.gz TYBDHUYMUYMEPN-INIZCTEOSA-N 2 1 333.501 1.950 20 30 EDEDMP C#CCNC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000491475132 448037073 /nfs/dbraw/zinc/03/70/73/448037073.db2.gz TYBDHUYMUYMEPN-INIZCTEOSA-N 2 1 333.501 1.950 20 30 EDEDMP Cc1[nH+]ccn1CCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000591742331 448478987 /nfs/dbraw/zinc/47/89/87/448478987.db2.gz OWSSACJVJDNZCN-UHFFFAOYSA-N 2 1 347.444 1.302 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000578759148 448628907 /nfs/dbraw/zinc/62/89/07/448628907.db2.gz RSHSLZANYKATBJ-SFHVURJKSA-N 2 1 347.459 1.625 20 30 EDEDMP CN(CCC#N)C[C@@H](O)CNc1ccc(CCN2CCOCC2)cc1 ZINC000574312263 448841971 /nfs/dbraw/zinc/84/19/71/448841971.db2.gz MDJUWGKUDVAMCK-IBGZPJMESA-N 2 1 346.475 1.180 20 30 EDEDMP N#Cc1ccc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)o1 ZINC000600770418 449540769 /nfs/dbraw/zinc/54/07/69/449540769.db2.gz YYCBEXKUZNRUDC-AWEZNQCLSA-N 2 1 340.431 1.664 20 30 EDEDMP C=C(C)[C@@H](CO)[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000649383348 452055243 /nfs/dbraw/zinc/05/52/43/452055243.db2.gz CRUWSSPKJRVOAP-GOSISDBHSA-N 2 1 333.476 1.686 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2c(c1)OCCCO2 ZINC000104181648 529072986 /nfs/dbraw/zinc/07/29/86/529072986.db2.gz BYROJYKUKXUSPB-OAHLLOKOSA-N 2 1 332.448 1.737 20 30 EDEDMP C#CCSCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000745834949 579564875 /nfs/dbraw/zinc/56/48/75/579564875.db2.gz PRMVHEPJVJGPIP-INIZCTEOSA-N 2 1 340.537 1.410 20 30 EDEDMP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)CC1 ZINC000766630834 580170709 /nfs/dbraw/zinc/17/07/09/580170709.db2.gz ALYQYFVEKILXLL-MRXNPFEDSA-N 2 1 340.471 1.830 20 30 EDEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3cc4c(c(C#N)c3=O)CCC4)C2)CC1 ZINC000766630834 580170710 /nfs/dbraw/zinc/17/07/10/580170710.db2.gz ALYQYFVEKILXLL-MRXNPFEDSA-N 2 1 340.471 1.830 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000909031141 592707913 /nfs/dbraw/zinc/70/79/13/592707913.db2.gz DDMSVZMOSRLUPD-FQEVSTJZSA-N 2 1 342.487 1.523 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000730276853 593108474 /nfs/dbraw/zinc/10/84/74/593108474.db2.gz DEZHHEQUIGWVJT-APWZRJJASA-N 2 1 325.456 1.647 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000730276853 593108475 /nfs/dbraw/zinc/10/84/75/593108475.db2.gz DEZHHEQUIGWVJT-APWZRJJASA-N 2 1 325.456 1.647 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@H](c3ccccc3C)C2)CC1 ZINC000825179741 594142952 /nfs/dbraw/zinc/14/29/52/594142952.db2.gz CTSUWLVZGJSFNV-IBGZPJMESA-N 2 1 325.456 1.813 20 30 EDEDMP CNC(NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)=[NH+]C ZINC000849076911 595478685 /nfs/dbraw/zinc/47/86/85/595478685.db2.gz YEBYVFCZZMWDLN-IYBDPMFKSA-N 2 1 332.492 1.991 20 30 EDEDMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852877936 595593828 /nfs/dbraw/zinc/59/38/28/595593828.db2.gz KELSOUQAYYGOPP-KRWDZBQOSA-N 2 1 327.428 1.171 20 30 EDEDMP C#CCOc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000855345552 595681139 /nfs/dbraw/zinc/68/11/39/595681139.db2.gz CSGPCHSDEBNLOA-INIZCTEOSA-N 2 1 331.460 1.700 20 30 EDEDMP C#CCOc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000855345552 595681142 /nfs/dbraw/zinc/68/11/42/595681142.db2.gz CSGPCHSDEBNLOA-INIZCTEOSA-N 2 1 331.460 1.700 20 30 EDEDMP C[N@@H+](CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000867962008 596636347 /nfs/dbraw/zinc/63/63/47/596636347.db2.gz JNOQMMBDOFZYMK-HXUWFJFHSA-N 2 1 348.450 1.993 20 30 EDEDMP CC(C)(O)[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](C(C)(C)O)C2)C1 ZINC000879963239 597786434 /nfs/dbraw/zinc/78/64/34/597786434.db2.gz HTIULDBESDWLPB-QZTJIDSGSA-N 2 1 336.520 1.956 20 30 EDEDMP Cc1ccc(NCCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[nH+]c1 ZINC000884221779 598034055 /nfs/dbraw/zinc/03/40/55/598034055.db2.gz ZUQCLJYIRJFCCK-CSLYMUCUSA-N 2 1 327.432 1.448 20 30 EDEDMP C#CCN(C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000914074735 695069639 /nfs/dbraw/zinc/06/96/39/695069639.db2.gz LJLFODAYDCXOPX-SJORKVTESA-N 2 1 334.508 1.846 20 30 EDEDMP CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001031684689 697512209 /nfs/dbraw/zinc/51/22/09/697512209.db2.gz YRTNDSSMFRKDNK-RBUKOAKNSA-N 2 1 340.471 1.837 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940987337 701041374 /nfs/dbraw/zinc/04/13/74/701041374.db2.gz NNYHKSIWYVQQDF-AEFFLSMTSA-N 2 1 342.487 1.994 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940987337 701041376 /nfs/dbraw/zinc/04/13/76/701041376.db2.gz NNYHKSIWYVQQDF-AEFFLSMTSA-N 2 1 342.487 1.994 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091714 701135208 /nfs/dbraw/zinc/13/52/08/701135208.db2.gz YBWVTQKWPWYVOW-QGZVFWFLSA-N 2 1 345.491 1.298 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C(C)(C)C2)C1 ZINC000996607559 702910759 /nfs/dbraw/zinc/91/07/59/702910759.db2.gz CRNCPJHWUBAXJA-CZUORRHYSA-N 2 1 346.500 1.898 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000996603703 702913152 /nfs/dbraw/zinc/91/31/52/702913152.db2.gz SMXFBQVXJOQWBU-DNVCBOLYSA-N 2 1 340.471 1.979 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000942445946 702941908 /nfs/dbraw/zinc/94/19/08/702941908.db2.gz YRHZFWQWIJRMGW-DOTOQJQBSA-N 2 1 337.427 1.731 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000997007911 703265273 /nfs/dbraw/zinc/26/52/73/703265273.db2.gz KIGZKLYWWMOSMH-DNVCBOLYSA-N 2 1 340.471 1.837 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@H](CC)OC)CC1 ZINC000997623495 703920553 /nfs/dbraw/zinc/92/05/53/703920553.db2.gz CIOPNRAQTGPQOD-WDSOQIARSA-N 2 1 349.519 1.726 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@H](CC)OC)CC1 ZINC000997623495 703920554 /nfs/dbraw/zinc/92/05/54/703920554.db2.gz CIOPNRAQTGPQOD-WDSOQIARSA-N 2 1 349.519 1.726 20 30 EDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946591564 704194912 /nfs/dbraw/zinc/19/49/12/704194912.db2.gz ZDBQFPSIUUMSIP-CEXWTWQISA-N 2 1 329.488 1.522 20 30 EDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997735183 704627671 /nfs/dbraw/zinc/62/76/71/704627671.db2.gz MTABRUKLWDGVAF-YJBOKZPZSA-N 2 1 342.487 1.994 20 30 EDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944946486 704799531 /nfs/dbraw/zinc/79/95/31/704799531.db2.gz WRRMWPAQKURCDQ-UYAOXDASSA-N 2 1 339.483 1.961 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033277694 707343616 /nfs/dbraw/zinc/34/36/16/707343616.db2.gz GKSZDZQWRABHGV-VZDIDWBNSA-N 2 1 333.476 1.349 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033277685 707343752 /nfs/dbraw/zinc/34/37/52/707343752.db2.gz GKSZDZQWRABHGV-DHADLLTHSA-N 2 1 333.476 1.349 20 30 EDEDMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033582411 708265815 /nfs/dbraw/zinc/26/58/15/708265815.db2.gz PAFFZBSOZYJURK-HUUCEWRRSA-N 2 1 346.500 1.994 20 30 EDEDMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033582411 708265817 /nfs/dbraw/zinc/26/58/17/708265817.db2.gz PAFFZBSOZYJURK-HUUCEWRRSA-N 2 1 346.500 1.994 20 30 EDEDMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033582411 708265819 /nfs/dbraw/zinc/26/58/19/708265819.db2.gz PAFFZBSOZYJURK-HUUCEWRRSA-N 2 1 346.500 1.994 20 30 EDEDMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001033582411 708265821 /nfs/dbraw/zinc/26/58/21/708265821.db2.gz PAFFZBSOZYJURK-HUUCEWRRSA-N 2 1 346.500 1.994 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033905081 709033595 /nfs/dbraw/zinc/03/35/95/709033595.db2.gz JOFLCQYPXIFAQV-ISXWCOSWSA-N 2 1 333.476 1.349 20 30 EDEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001033905081 709033599 /nfs/dbraw/zinc/03/35/99/709033599.db2.gz JOFLCQYPXIFAQV-ISXWCOSWSA-N 2 1 333.476 1.349 20 30 EDEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001033905081 709033601 /nfs/dbraw/zinc/03/36/01/709033601.db2.gz JOFLCQYPXIFAQV-ISXWCOSWSA-N 2 1 333.476 1.349 20 30 EDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003330754 710265351 /nfs/dbraw/zinc/26/53/51/710265351.db2.gz CLTGNIHXTJPKJU-URSIVYNOSA-N 2 1 333.476 1.396 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001004522484 711921348 /nfs/dbraw/zinc/92/13/48/711921348.db2.gz NVCRKYFHIHBDKB-RBUKOAKNSA-N 2 1 347.503 1.432 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001004522484 711921349 /nfs/dbraw/zinc/92/13/49/711921349.db2.gz NVCRKYFHIHBDKB-RBUKOAKNSA-N 2 1 347.503 1.432 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004522484 711921351 /nfs/dbraw/zinc/92/13/51/711921351.db2.gz NVCRKYFHIHBDKB-RBUKOAKNSA-N 2 1 347.503 1.432 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001004522484 711921352 /nfs/dbraw/zinc/92/13/52/711921352.db2.gz NVCRKYFHIHBDKB-RBUKOAKNSA-N 2 1 347.503 1.432 20 30 EDEDMP C[C@@H]1CCC[C@](CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)([NH+](C)C)C1 ZINC000329444519 539437578 /nfs/dbraw/zinc/43/75/78/539437578.db2.gz LPGSWXAXPYZKMP-RYRKJORJSA-N 2 1 339.528 1.246 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000073305297 216374847 /nfs/dbraw/zinc/37/48/47/216374847.db2.gz WCMBGWQEWQPZGQ-UHFFFAOYSA-N 2 1 342.443 1.470 20 30 EDEDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000171382980 302943278 /nfs/dbraw/zinc/94/32/78/302943278.db2.gz TVYBGEAJRPUALH-UHFFFAOYSA-N 2 1 332.423 1.587 20 30 EDEDMP C[NH+]=C(NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)NC1CC1 ZINC000103338429 441180535 /nfs/dbraw/zinc/18/05/35/441180535.db2.gz YEDIEINDRPMGDU-UHFFFAOYSA-N 2 1 339.484 1.257 20 30 EDEDMP CCNC(NCc1ccccc1C[NH+]1CCN(CC)CC1)=[NH+]CC ZINC000066243418 441515796 /nfs/dbraw/zinc/51/57/96/441515796.db2.gz DWTZWPQPDOMTGL-UHFFFAOYSA-N 2 1 331.508 1.899 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188569812 442764386 /nfs/dbraw/zinc/76/43/86/442764386.db2.gz HQKHYRYYTAVDOK-OAHLLOKOSA-N 2 1 338.496 1.123 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNC(=O)c1occc1C ZINC000267395157 443442946 /nfs/dbraw/zinc/44/29/46/443442946.db2.gz DVQMKEJGEZJURB-AWEZNQCLSA-N 2 1 335.452 1.097 20 30 EDEDMP C=CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC000275244907 443623602 /nfs/dbraw/zinc/62/36/02/443623602.db2.gz ODJDFGYOJJUBNF-UHFFFAOYSA-N 2 1 326.444 1.710 20 30 EDEDMP C=CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC000275244907 443623605 /nfs/dbraw/zinc/62/36/05/443623605.db2.gz ODJDFGYOJJUBNF-UHFFFAOYSA-N 2 1 326.444 1.710 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000296248115 444215252 /nfs/dbraw/zinc/21/52/52/444215252.db2.gz RNBIOHWJJSZVTI-UHFFFAOYSA-N 2 1 342.487 1.905 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000297531518 444297389 /nfs/dbraw/zinc/29/73/89/444297389.db2.gz AMTWFRBDGYRSHG-WMZOPIPTSA-N 2 1 330.476 1.932 20 30 EDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CCC[N@H+]1C ZINC000329516416 444611511 /nfs/dbraw/zinc/61/15/11/444611511.db2.gz OWFNXRVCJZHWFD-ZMSDIMECSA-N 2 1 348.495 1.353 20 30 EDEDMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000329770581 444710318 /nfs/dbraw/zinc/71/03/18/444710318.db2.gz IYLMFKLOKJKZAX-HLLBOEOZSA-N 2 1 338.496 1.474 20 30 EDEDMP C=CCOc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000352695090 445549661 /nfs/dbraw/zinc/54/96/61/445549661.db2.gz SFYPTKILLZEIJQ-KRWDZBQOSA-N 2 1 331.460 1.740 20 30 EDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)[C@@H](C)C1 ZINC000360957103 445741040 /nfs/dbraw/zinc/74/10/40/445741040.db2.gz OEHLTCMXFBHFKN-BBWFWOEESA-N 2 1 338.496 1.474 20 30 EDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)[C@@H](C)C1 ZINC000360957103 445741043 /nfs/dbraw/zinc/74/10/43/445741043.db2.gz OEHLTCMXFBHFKN-BBWFWOEESA-N 2 1 338.496 1.474 20 30 EDEDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000365083743 446012930 /nfs/dbraw/zinc/01/29/30/446012930.db2.gz XAPBVOFHKYTZMU-LSDHHAIUSA-N 2 1 329.448 1.827 20 30 EDEDMP CN1CCN(C(=O)CC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000366982621 446442942 /nfs/dbraw/zinc/44/29/42/446442942.db2.gz OTMXUOZJVRXQDS-UHFFFAOYSA-N 2 1 338.455 1.811 20 30 EDEDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000366982621 446442951 /nfs/dbraw/zinc/44/29/51/446442951.db2.gz OTMXUOZJVRXQDS-UHFFFAOYSA-N 2 1 338.455 1.811 20 30 EDEDMP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418395366 446528127 /nfs/dbraw/zinc/52/81/27/446528127.db2.gz BWUFYCKTJNGFPR-SFHVURJKSA-N 2 1 343.475 1.759 20 30 EDEDMP C=CCN1CC[C@H]([N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1=O ZINC000375594026 446914149 /nfs/dbraw/zinc/91/41/49/446914149.db2.gz BNQSGUCEXBZNFI-KRWDZBQOSA-N 2 1 343.475 1.781 20 30 EDEDMP C=CCN1CC[C@H]([N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1=O ZINC000375594026 446914153 /nfs/dbraw/zinc/91/41/53/446914153.db2.gz BNQSGUCEXBZNFI-KRWDZBQOSA-N 2 1 343.475 1.781 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000491265654 447976488 /nfs/dbraw/zinc/97/64/88/447976488.db2.gz MFFXXTURPWCNSF-UYAOXDASSA-N 2 1 329.488 1.993 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000491265654 447976492 /nfs/dbraw/zinc/97/64/92/447976492.db2.gz MFFXXTURPWCNSF-UYAOXDASSA-N 2 1 329.488 1.993 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000491646829 448069643 /nfs/dbraw/zinc/06/96/43/448069643.db2.gz VCYMOVPJAQCLMN-GOSISDBHSA-N 2 1 330.476 1.852 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccc(OC)cc2)CC1 ZINC000563618092 448308560 /nfs/dbraw/zinc/30/85/60/448308560.db2.gz ZMWFJHAGKOPUMM-GOSISDBHSA-N 2 1 334.460 1.813 20 30 EDEDMP C=C[C@@H]1OCC[C@H]1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000580448967 448948268 /nfs/dbraw/zinc/94/82/68/448948268.db2.gz AWQOUCYYTXJHOR-MSOLQXFVSA-N 2 1 335.492 1.642 20 30 EDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000602069832 449321104 /nfs/dbraw/zinc/32/11/04/449321104.db2.gz FGLOWLFKOSJWFQ-GOSISDBHSA-N 2 1 328.460 1.790 20 30 EDEDMP N#CCc1cccc2c1CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000600776889 449543601 /nfs/dbraw/zinc/54/36/01/449543601.db2.gz YFNYAIAHQIYVNP-HNNXBMFYSA-N 2 1 326.444 1.308 20 30 EDEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccccc2C#N)CCCO1 ZINC000600735418 449524445 /nfs/dbraw/zinc/52/44/45/449524445.db2.gz SYQHSMNNONNGQV-AEFFLSMTSA-N 2 1 347.459 1.388 20 30 EDEDMP OC[C@]12CCC[C@H]1C[NH+](CC#CC[N@@H+]1C[C@@H]3CCC[C@]3(CO)C1)C2 ZINC000626015386 450554162 /nfs/dbraw/zinc/55/41/62/450554162.db2.gz TZBLKHUPEDTRNX-VNTMZGSJSA-N 2 1 332.488 1.179 20 30 EDEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000584524787 485869975 /nfs/dbraw/zinc/86/99/75/485869975.db2.gz JEEBMDWXEOPMPC-QAPCUYQASA-N 2 1 342.443 1.923 20 30 EDEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000610798133 485890471 /nfs/dbraw/zinc/89/04/71/485890471.db2.gz UUCHPSBOVYYAOF-GGPKGHCWSA-N 2 1 343.471 1.908 20 30 EDEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000610798133 485890475 /nfs/dbraw/zinc/89/04/75/485890475.db2.gz UUCHPSBOVYYAOF-GGPKGHCWSA-N 2 1 343.471 1.908 20 30 EDEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000610798133 485890481 /nfs/dbraw/zinc/89/04/81/485890481.db2.gz UUCHPSBOVYYAOF-GGPKGHCWSA-N 2 1 343.471 1.908 20 30 EDEDMP N#Cc1ccsc1N1CC[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C1=O ZINC000363365415 526768097 /nfs/dbraw/zinc/76/80/97/526768097.db2.gz KTOSGKROJHFQBG-OLZOCXBDSA-N 2 1 327.413 1.526 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(C)c2ccccc21 ZINC000245899409 535549308 /nfs/dbraw/zinc/54/93/08/535549308.db2.gz JUFQIVAHQZYKAM-HZPDHXFCSA-N 2 1 329.492 1.999 20 30 EDEDMP CCN(Cc1ccccc1)C(=O)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000264074422 535787438 /nfs/dbraw/zinc/78/74/38/535787438.db2.gz FEBDNLDEXSYDLZ-KRWDZBQOSA-N 2 1 345.491 1.424 20 30 EDEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)NCCC#N ZINC000787301606 580692311 /nfs/dbraw/zinc/69/23/11/580692311.db2.gz IZGUXMNHAIRVOT-MNZLEMJZSA-N 2 1 328.460 1.762 20 30 EDEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCC#N ZINC000787301606 580692313 /nfs/dbraw/zinc/69/23/13/580692313.db2.gz IZGUXMNHAIRVOT-MNZLEMJZSA-N 2 1 328.460 1.762 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000895057102 591550768 /nfs/dbraw/zinc/55/07/68/591550768.db2.gz RIMPFTHQBKTUTO-MOPGFXCFSA-N 2 1 342.487 1.586 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000895057102 591550770 /nfs/dbraw/zinc/55/07/70/591550770.db2.gz RIMPFTHQBKTUTO-MOPGFXCFSA-N 2 1 342.487 1.586 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000895057102 591550773 /nfs/dbraw/zinc/55/07/73/591550773.db2.gz RIMPFTHQBKTUTO-MOPGFXCFSA-N 2 1 342.487 1.586 20 30 EDEDMP CC(C)C[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)C(=O)NCC[NH+](C)C ZINC000902921981 592081584 /nfs/dbraw/zinc/08/15/84/592081584.db2.gz HBHNNOLCUXNKNQ-PBHICJAKSA-N 2 1 331.464 1.696 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000836256738 594943726 /nfs/dbraw/zinc/94/37/26/594943726.db2.gz OFRYAWGYBCTCTA-UHFFFAOYSA-N 2 1 325.416 1.627 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856626670 596038950 /nfs/dbraw/zinc/03/89/50/596038950.db2.gz KZFUXVXHMBHUNM-SFHVURJKSA-N 2 1 346.475 1.631 20 30 EDEDMP C#C[C@](C)(CC)[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000852097129 596042024 /nfs/dbraw/zinc/04/20/24/596042024.db2.gz LVTRNDNNYVGNLH-GOSISDBHSA-N 2 1 335.492 1.529 20 30 EDEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158186 596816456 /nfs/dbraw/zinc/81/64/56/596816456.db2.gz ZDBJYXPVXNMJPY-ZBFHGGJFSA-N 2 1 336.480 1.618 20 30 EDEDMP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876723257 597306476 /nfs/dbraw/zinc/30/64/76/597306476.db2.gz QWVSRQPHOVLARL-KBXCAEBGSA-N 2 1 326.444 1.593 20 30 EDEDMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876723257 597306479 /nfs/dbraw/zinc/30/64/79/597306479.db2.gz QWVSRQPHOVLARL-KBXCAEBGSA-N 2 1 326.444 1.593 20 30 EDEDMP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876723260 597306870 /nfs/dbraw/zinc/30/68/70/597306870.db2.gz QWVSRQPHOVLARL-RDTXWAMCSA-N 2 1 326.444 1.593 20 30 EDEDMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876723260 597306874 /nfs/dbraw/zinc/30/68/74/597306874.db2.gz QWVSRQPHOVLARL-RDTXWAMCSA-N 2 1 326.444 1.593 20 30 EDEDMP N#Cc1cc(C[NH+]2CCC[C@@H](O)C2)cc(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000877934914 597564900 /nfs/dbraw/zinc/56/49/00/597564900.db2.gz HUZCXPRJHZZAMV-RTBURBONSA-N 2 1 329.444 1.472 20 30 EDEDMP C=CCCn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000883283441 597699837 /nfs/dbraw/zinc/69/98/37/597699837.db2.gz FRXZUTJAMJBNQK-UHFFFAOYSA-N 2 1 340.475 1.896 20 30 EDEDMP C[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C2(CCCCC2)C1 ZINC000884232491 598038095 /nfs/dbraw/zinc/03/80/95/598038095.db2.gz SVVMHWSALHEQKC-PQUAAJSLSA-N 2 1 330.476 1.603 20 30 EDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1)C2 ZINC000884278205 598052593 /nfs/dbraw/zinc/05/25/93/598052593.db2.gz GAWVICCOCUTCFE-QXCFYTAISA-N 2 1 342.418 1.438 20 30 EDEDMP C#CCN(C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000914074733 695069655 /nfs/dbraw/zinc/06/96/55/695069655.db2.gz LJLFODAYDCXOPX-IAGOWNOFSA-N 2 1 334.508 1.846 20 30 EDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993992432 696485007 /nfs/dbraw/zinc/48/50/07/696485007.db2.gz WMCAKDVEKPDWNO-WBVHZDCISA-N 2 1 331.464 1.051 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000941470774 701549854 /nfs/dbraw/zinc/54/98/54/701549854.db2.gz HCJCDUQDCNOKIR-SFHVURJKSA-N 2 1 334.508 1.121 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941470774 701549855 /nfs/dbraw/zinc/54/98/55/701549855.db2.gz HCJCDUQDCNOKIR-SFHVURJKSA-N 2 1 334.508 1.121 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000941595396 701587314 /nfs/dbraw/zinc/58/73/14/701587314.db2.gz IOSUOYRLUOPQMN-GOSISDBHSA-N 2 1 334.508 1.264 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000941595396 701587315 /nfs/dbraw/zinc/58/73/15/701587315.db2.gz IOSUOYRLUOPQMN-GOSISDBHSA-N 2 1 334.508 1.264 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941405087 701519308 /nfs/dbraw/zinc/51/93/08/701519308.db2.gz ZQLVWICFOWXKGI-SFHVURJKSA-N 2 1 334.508 1.264 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996683109 702981238 /nfs/dbraw/zinc/98/12/38/702981238.db2.gz APNSACZGNYPNFL-SFHVURJKSA-N 2 1 344.434 1.399 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996683109 702981241 /nfs/dbraw/zinc/98/12/41/702981241.db2.gz APNSACZGNYPNFL-SFHVURJKSA-N 2 1 344.434 1.399 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996685204 702982882 /nfs/dbraw/zinc/98/28/82/702982882.db2.gz NUCYSHKWNSBOQH-INIZCTEOSA-N 2 1 332.473 1.321 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996685204 702982885 /nfs/dbraw/zinc/98/28/85/702982885.db2.gz NUCYSHKWNSBOQH-INIZCTEOSA-N 2 1 332.473 1.321 20 30 EDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997271038 703533621 /nfs/dbraw/zinc/53/36/21/703533621.db2.gz FWCMKGIFGQCWHM-AEFFLSMTSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997271038 703533622 /nfs/dbraw/zinc/53/36/22/703533622.db2.gz FWCMKGIFGQCWHM-AEFFLSMTSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCC1 ZINC001032453790 703628288 /nfs/dbraw/zinc/62/82/88/703628288.db2.gz OUEYRCQSKHNDTQ-FHWLQOOXSA-N 2 1 329.488 1.949 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCC1 ZINC001032453790 703628289 /nfs/dbraw/zinc/62/82/89/703628289.db2.gz OUEYRCQSKHNDTQ-FHWLQOOXSA-N 2 1 329.488 1.949 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCC1 ZINC001032453790 703628290 /nfs/dbraw/zinc/62/82/90/703628290.db2.gz OUEYRCQSKHNDTQ-FHWLQOOXSA-N 2 1 329.488 1.949 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCC1 ZINC001032453790 703628291 /nfs/dbraw/zinc/62/82/91/703628291.db2.gz OUEYRCQSKHNDTQ-FHWLQOOXSA-N 2 1 329.488 1.949 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1 ZINC000995550089 703929617 /nfs/dbraw/zinc/92/96/17/703929617.db2.gz HUPOQAPXUPZEAK-MSOLQXFVSA-N 2 1 340.471 1.979 20 30 EDEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004383398 704362540 /nfs/dbraw/zinc/36/25/40/704362540.db2.gz YHZQPNJAAFVDQY-ROUUACIJSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004383398 704362541 /nfs/dbraw/zinc/36/25/41/704362541.db2.gz YHZQPNJAAFVDQY-ROUUACIJSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004383398 704362542 /nfs/dbraw/zinc/36/25/42/704362542.db2.gz YHZQPNJAAFVDQY-ROUUACIJSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004383398 704362543 /nfs/dbraw/zinc/36/25/43/704362543.db2.gz YHZQPNJAAFVDQY-ROUUACIJSA-N 2 1 335.492 1.596 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000999390251 706903255 /nfs/dbraw/zinc/90/32/55/706903255.db2.gz FVLYPQDBBNPMTK-HOCLYGCPSA-N 2 1 332.473 1.321 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000999390251 706903257 /nfs/dbraw/zinc/90/32/57/706903257.db2.gz FVLYPQDBBNPMTK-HOCLYGCPSA-N 2 1 332.473 1.321 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncccc2C)C1 ZINC000999392134 706905199 /nfs/dbraw/zinc/90/51/99/706905199.db2.gz QBYCQRVZMIAACO-MJGOQNOKSA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncccc2C)C1 ZINC000999392134 706905202 /nfs/dbraw/zinc/90/52/02/706905202.db2.gz QBYCQRVZMIAACO-MJGOQNOKSA-N 2 1 340.471 1.568 20 30 EDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731429 707268410 /nfs/dbraw/zinc/26/84/10/707268410.db2.gz QCQKBHZONCGPRI-CEXWTWQISA-N 2 1 349.519 1.842 20 30 EDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731429 707268414 /nfs/dbraw/zinc/26/84/14/707268414.db2.gz QCQKBHZONCGPRI-CEXWTWQISA-N 2 1 349.519 1.842 20 30 EDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731429 707268419 /nfs/dbraw/zinc/26/84/19/707268419.db2.gz QCQKBHZONCGPRI-CEXWTWQISA-N 2 1 349.519 1.842 20 30 EDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731429 707268424 /nfs/dbraw/zinc/26/84/24/707268424.db2.gz QCQKBHZONCGPRI-CEXWTWQISA-N 2 1 349.519 1.842 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706185 707516020 /nfs/dbraw/zinc/51/60/20/707516020.db2.gz WPNNOJWLMIEVAC-ROUUACIJSA-N 2 1 335.492 1.432 20 30 EDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706185 707516021 /nfs/dbraw/zinc/51/60/21/707516021.db2.gz WPNNOJWLMIEVAC-ROUUACIJSA-N 2 1 335.492 1.432 20 30 EDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000948706185 707516023 /nfs/dbraw/zinc/51/60/23/707516023.db2.gz WPNNOJWLMIEVAC-ROUUACIJSA-N 2 1 335.492 1.432 20 30 EDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000948706185 707516025 /nfs/dbraw/zinc/51/60/25/707516025.db2.gz WPNNOJWLMIEVAC-ROUUACIJSA-N 2 1 335.492 1.432 20 30 EDEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)nn2)C1 ZINC000999985691 707655776 /nfs/dbraw/zinc/65/57/76/707655776.db2.gz DKAZMJULIZRVEH-IRXDYDNUSA-N 2 1 346.479 1.202 20 30 EDEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3CCC)nn2)C1 ZINC000999985691 707655779 /nfs/dbraw/zinc/65/57/79/707655779.db2.gz DKAZMJULIZRVEH-IRXDYDNUSA-N 2 1 346.479 1.202 20 30 EDEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3CCC)nn2)C1 ZINC000999985691 707655783 /nfs/dbraw/zinc/65/57/83/707655783.db2.gz DKAZMJULIZRVEH-IRXDYDNUSA-N 2 1 346.479 1.202 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC001000790397 708065977 /nfs/dbraw/zinc/06/59/77/708065977.db2.gz IZUQGDNHPZOQAP-OALUTQOASA-N 2 1 345.487 1.259 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC001000790397 708065979 /nfs/dbraw/zinc/06/59/79/708065979.db2.gz IZUQGDNHPZOQAP-OALUTQOASA-N 2 1 345.487 1.259 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001000790397 708065981 /nfs/dbraw/zinc/06/59/81/708065981.db2.gz IZUQGDNHPZOQAP-OALUTQOASA-N 2 1 345.487 1.259 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001000790397 708065983 /nfs/dbraw/zinc/06/59/83/708065983.db2.gz IZUQGDNHPZOQAP-OALUTQOASA-N 2 1 345.487 1.259 20 30 EDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001832482 708358081 /nfs/dbraw/zinc/35/80/81/708358081.db2.gz GLYNJBWEIBXJMB-QGZVFWFLSA-N 2 1 328.460 1.605 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033838718 708868885 /nfs/dbraw/zinc/86/88/85/708868885.db2.gz SVIZDMKBVSIALU-INIZCTEOSA-N 2 1 333.480 1.557 20 30 EDEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001034043099 709294144 /nfs/dbraw/zinc/29/41/44/709294144.db2.gz SROBPRDJOPDQOI-LSDHHAIUSA-N 2 1 346.500 1.994 20 30 EDEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001034043099 709294146 /nfs/dbraw/zinc/29/41/46/709294146.db2.gz SROBPRDJOPDQOI-LSDHHAIUSA-N 2 1 346.500 1.994 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001034043099 709294147 /nfs/dbraw/zinc/29/41/47/709294147.db2.gz SROBPRDJOPDQOI-LSDHHAIUSA-N 2 1 346.500 1.994 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001034043099 709294148 /nfs/dbraw/zinc/29/41/48/709294148.db2.gz SROBPRDJOPDQOI-LSDHHAIUSA-N 2 1 346.500 1.994 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](C[C@H](C)OC)C2)CC1 ZINC001034046690 709299678 /nfs/dbraw/zinc/29/96/78/709299678.db2.gz UGTSQDANWXMOLU-WMZOPIPTSA-N 2 1 335.492 1.289 20 30 EDEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034211130 709562596 /nfs/dbraw/zinc/56/25/96/709562596.db2.gz YEPLOLVVMXIQKI-MRXNPFEDSA-N 2 1 333.480 1.605 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034241248 709626367 /nfs/dbraw/zinc/62/63/67/709626367.db2.gz PPQYWWRERCOQAK-MJGOQNOKSA-N 2 1 347.503 1.624 20 30 EDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034241248 709626371 /nfs/dbraw/zinc/62/63/71/709626371.db2.gz PPQYWWRERCOQAK-MJGOQNOKSA-N 2 1 347.503 1.624 20 30 EDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034241248 709626373 /nfs/dbraw/zinc/62/63/73/709626373.db2.gz PPQYWWRERCOQAK-MJGOQNOKSA-N 2 1 347.503 1.624 20 30 EDEDMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC001004141012 711540345 /nfs/dbraw/zinc/54/03/45/711540345.db2.gz BIUKEJPFLYLFOH-MRXNPFEDSA-N 2 1 344.434 1.730 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C1 ZINC001004141012 711540349 /nfs/dbraw/zinc/54/03/49/711540349.db2.gz BIUKEJPFLYLFOH-MRXNPFEDSA-N 2 1 344.434 1.730 20 30 EDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001004475957 711855401 /nfs/dbraw/zinc/85/54/01/711855401.db2.gz VWDRUKYKTFQIOM-GOSISDBHSA-N 2 1 344.459 1.686 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001004475957 711855403 /nfs/dbraw/zinc/85/54/03/711855403.db2.gz VWDRUKYKTFQIOM-GOSISDBHSA-N 2 1 344.459 1.686 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001004586853 712020964 /nfs/dbraw/zinc/02/09/64/712020964.db2.gz VTYHJCUFOFSNAT-LJQANCHMSA-N 2 1 349.519 1.986 20 30 EDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001004616686 712076675 /nfs/dbraw/zinc/07/66/75/712076675.db2.gz NCFIGZLZCJPBIB-HKUYNNGSSA-N 2 1 349.519 1.844 20 30 EDEDMP C[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000174486429 530047799 /nfs/dbraw/zinc/04/77/99/530047799.db2.gz FJTNOTJYRFMDGA-UHFFFAOYSA-N 2 1 340.471 1.934 20 30 EDEDMP C[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000174486429 530047800 /nfs/dbraw/zinc/04/78/00/530047800.db2.gz FJTNOTJYRFMDGA-UHFFFAOYSA-N 2 1 340.471 1.934 20 30 EDEDMP C[NH+](C)CC1CCN(CC#CC[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000341848944 250001133 /nfs/dbraw/zinc/00/11/33/250001133.db2.gz QGCOEXRUBGTCNY-UHFFFAOYSA-N 3 1 334.552 1.537 20 30 EDEDMP N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000424126454 252131131 /nfs/dbraw/zinc/13/11/31/252131131.db2.gz BTMVLVIJBITOOV-HOTGVXAUSA-N 2 1 343.431 1.096 20 30 EDEDMP N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000424126454 252131135 /nfs/dbraw/zinc/13/11/35/252131135.db2.gz BTMVLVIJBITOOV-HOTGVXAUSA-N 2 1 343.431 1.096 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000490555812 255091424 /nfs/dbraw/zinc/09/14/24/255091424.db2.gz KQLHYVMCSWHNMV-SFHVURJKSA-N 2 1 343.471 1.759 20 30 EDEDMP N#Cc1ncn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000367691535 154232202 /nfs/dbraw/zinc/23/22/02/154232202.db2.gz VBDYCRZLWFPVPP-AYHJJNSGSA-N 2 1 336.443 1.935 20 30 EDEDMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@H]3CNc4c(C#N)cnn4C3)C2)CC1 ZINC000518188176 267333812 /nfs/dbraw/zinc/33/38/12/267333812.db2.gz ZPZFEBIXWGXPHM-ZBFHGGJFSA-N 2 1 328.464 1.460 20 30 EDEDMP C[N@H+]1CCC[C@H](CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000521426836 267337874 /nfs/dbraw/zinc/33/78/74/267337874.db2.gz QNZBRTRDRFFKKB-MRXNPFEDSA-N 2 1 335.473 1.653 20 30 EDEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136072630 442649323 /nfs/dbraw/zinc/64/93/23/442649323.db2.gz BOPRWFPMRVOUBI-GOSISDBHSA-N 2 1 334.508 1.289 20 30 EDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136072630 442649327 /nfs/dbraw/zinc/64/93/27/442649327.db2.gz BOPRWFPMRVOUBI-GOSISDBHSA-N 2 1 334.508 1.289 20 30 EDEDMP CC[N@@H+](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C1CC1 ZINC000269651827 443380208 /nfs/dbraw/zinc/38/02/08/443380208.db2.gz MLDDGXGYKIPUOO-UHFFFAOYSA-N 2 1 328.460 1.933 20 30 EDEDMP C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000267425628 443453400 /nfs/dbraw/zinc/45/34/00/443453400.db2.gz LMXRHGPVBMRKRW-QGZVFWFLSA-N 2 1 347.507 1.134 20 30 EDEDMP C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000267425628 443453405 /nfs/dbraw/zinc/45/34/05/443453405.db2.gz LMXRHGPVBMRKRW-QGZVFWFLSA-N 2 1 347.507 1.134 20 30 EDEDMP C#CCNC(=O)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000294519273 444120501 /nfs/dbraw/zinc/12/05/01/444120501.db2.gz JCGAYSBKVHXIRS-YRWFTTLQSA-N 2 1 327.472 1.872 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000294877221 444153318 /nfs/dbraw/zinc/15/33/18/444153318.db2.gz DDTDSRDNMWVKOB-HNNXBMFYSA-N 2 1 347.459 1.966 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000294877221 444153320 /nfs/dbraw/zinc/15/33/20/444153320.db2.gz DDTDSRDNMWVKOB-HNNXBMFYSA-N 2 1 347.459 1.966 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000297034683 444269386 /nfs/dbraw/zinc/26/93/86/444269386.db2.gz WDZMPSCJDLCGJD-UHFFFAOYSA-N 2 1 330.476 1.893 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000297034683 444269388 /nfs/dbraw/zinc/26/93/88/444269388.db2.gz WDZMPSCJDLCGJD-UHFFFAOYSA-N 2 1 330.476 1.893 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000290614898 444301607 /nfs/dbraw/zinc/30/16/07/444301607.db2.gz JUMPARKHAZFMPV-AOIWGVFYSA-N 2 1 330.476 1.541 20 30 EDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CN(C)CCO2)CCC[N@H+]1C ZINC000329191690 444496794 /nfs/dbraw/zinc/49/67/94/444496794.db2.gz QNTUHCIILOHMJA-NUEKZKHPSA-N 2 1 335.452 1.090 20 30 EDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CN(C)CCO2)CCCN1C ZINC000329191690 444496797 /nfs/dbraw/zinc/49/67/97/444496797.db2.gz QNTUHCIILOHMJA-NUEKZKHPSA-N 2 1 335.452 1.090 20 30 EDEDMP C[C@@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[NH+]1CCCCCC1 ZINC000329894986 444757328 /nfs/dbraw/zinc/75/73/28/444757328.db2.gz KJEVMMQWKIDPGH-HNNXBMFYSA-N 2 1 338.496 1.760 20 30 EDEDMP C(#CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367080447 446505172 /nfs/dbraw/zinc/50/51/72/446505172.db2.gz LCEVFPDUAIXEJL-VNTMZGSJSA-N 2 1 332.488 1.707 20 30 EDEDMP C#C[C@H]1COCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491653135 448071533 /nfs/dbraw/zinc/07/15/33/448071533.db2.gz BZKTYHUFCHRLMB-KRWDZBQOSA-N 2 1 333.476 1.043 20 30 EDEDMP N#CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000577488093 448311499 /nfs/dbraw/zinc/31/14/99/448311499.db2.gz ORPJYAHPLQJFMK-KRWDZBQOSA-N 2 1 347.438 1.085 20 30 EDEDMP CC(CC[NH+]1CC[C@@](O)(CC#N)C1)CC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592153306 448714602 /nfs/dbraw/zinc/71/46/02/448714602.db2.gz LRHBQKQFUXULJC-ROUUACIJSA-N 2 1 334.464 1.104 20 30 EDEDMP N#Cc1ccc(NC(=O)CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595863047 449214366 /nfs/dbraw/zinc/21/43/66/449214366.db2.gz JTFXFOIKZBBXBF-GOSISDBHSA-N 2 1 342.443 1.418 20 30 EDEDMP N#Cc1ccc(NC(=O)CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595863047 449214373 /nfs/dbraw/zinc/21/43/73/449214373.db2.gz JTFXFOIKZBBXBF-GOSISDBHSA-N 2 1 342.443 1.418 20 30 EDEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000584524785 485870067 /nfs/dbraw/zinc/87/00/67/485870067.db2.gz JEEBMDWXEOPMPC-CRAIPNDOSA-N 2 1 342.443 1.923 20 30 EDEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCCC#N ZINC000771460090 580287250 /nfs/dbraw/zinc/28/72/50/580287250.db2.gz AFDPUHZGHKQMEM-UHFFFAOYSA-N 2 1 329.448 1.650 20 30 EDEDMP CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNC2=[NH+]C[C@H](C)N2)c1C ZINC000779794293 580497371 /nfs/dbraw/zinc/49/73/71/580497371.db2.gz GKLJFYPHWWUREE-GUYCJALGSA-N 2 1 330.480 1.860 20 30 EDEDMP CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNC2=[NH+]C[C@H](C)N2)c1C ZINC000779794293 580497372 /nfs/dbraw/zinc/49/73/72/580497372.db2.gz GKLJFYPHWWUREE-GUYCJALGSA-N 2 1 330.480 1.860 20 30 EDEDMP C(=[NH+]NCCC[NH+]1CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC000799492002 581029679 /nfs/dbraw/zinc/02/96/79/581029679.db2.gz PFNCHXHILHJTFK-UHFFFAOYSA-N 2 1 332.448 1.169 20 30 EDEDMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819063204 593736745 /nfs/dbraw/zinc/73/67/45/593736745.db2.gz XLABOLOZCOFCHQ-LJQANCHMSA-N 2 1 330.476 1.599 20 30 EDEDMP C[N@@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000852895971 595603342 /nfs/dbraw/zinc/60/33/42/595603342.db2.gz OVCQEQJATRMUCH-IBGZPJMESA-N 2 1 325.456 1.375 20 30 EDEDMP C[N@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000852895971 595603343 /nfs/dbraw/zinc/60/33/43/595603343.db2.gz OVCQEQJATRMUCH-IBGZPJMESA-N 2 1 325.456 1.375 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccccc1OCC#N ZINC000855346059 595680908 /nfs/dbraw/zinc/68/09/08/595680908.db2.gz MYLXJRNHQDHJQO-HNNXBMFYSA-N 2 1 332.448 1.591 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccccc1OCC#N ZINC000855346059 595680912 /nfs/dbraw/zinc/68/09/12/595680912.db2.gz MYLXJRNHQDHJQO-HNNXBMFYSA-N 2 1 332.448 1.591 20 30 EDEDMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000867973570 596640461 /nfs/dbraw/zinc/64/04/61/596640461.db2.gz CZMMRWKLWMXVAL-QXAKKESOSA-N 2 1 338.455 1.688 20 30 EDEDMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876777266 597336561 /nfs/dbraw/zinc/33/65/61/597336561.db2.gz OSUKWIWVLSGFSR-QFBILLFUSA-N 2 1 340.471 1.935 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883667979 597856023 /nfs/dbraw/zinc/85/60/23/597856023.db2.gz KGKXZBXGFJBQFN-MRXNPFEDSA-N 2 1 329.448 1.257 20 30 EDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908162 700980074 /nfs/dbraw/zinc/98/00/74/700980074.db2.gz JJVFTGGYVKBNEQ-BHEGOAEISA-N 2 1 333.476 1.252 20 30 EDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908162 700980075 /nfs/dbraw/zinc/98/00/75/700980075.db2.gz JJVFTGGYVKBNEQ-BHEGOAEISA-N 2 1 333.476 1.252 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC000941432491 701538565 /nfs/dbraw/zinc/53/85/65/701538565.db2.gz AYHRZDAIZUXLIH-GOSISDBHSA-N 2 1 348.535 1.369 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941432491 701538566 /nfs/dbraw/zinc/53/85/66/701538566.db2.gz AYHRZDAIZUXLIH-GOSISDBHSA-N 2 1 348.535 1.369 20 30 EDEDMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031977792 702036877 /nfs/dbraw/zinc/03/68/77/702036877.db2.gz IKQWQUJOIBHEQY-VQIMIIECSA-N 2 1 325.456 1.284 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031977792 702036883 /nfs/dbraw/zinc/03/68/83/702036883.db2.gz IKQWQUJOIBHEQY-VQIMIIECSA-N 2 1 325.456 1.284 20 30 EDEDMP C#CCCN1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000996764154 703056401 /nfs/dbraw/zinc/05/64/01/703056401.db2.gz IYXVQFZFXMRNDI-CTWPCTMYSA-N 2 1 346.519 1.149 20 30 EDEDMP C=CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000995266830 703183769 /nfs/dbraw/zinc/18/37/69/703183769.db2.gz IXQLBCDZYOFOBJ-RBUKOAKNSA-N 2 1 342.487 1.870 20 30 EDEDMP C=CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000995266830 703183771 /nfs/dbraw/zinc/18/37/71/703183771.db2.gz IXQLBCDZYOFOBJ-RBUKOAKNSA-N 2 1 342.487 1.870 20 30 EDEDMP C=CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000995266830 703183773 /nfs/dbraw/zinc/18/37/73/703183773.db2.gz IXQLBCDZYOFOBJ-RBUKOAKNSA-N 2 1 342.487 1.870 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000997624573 703920975 /nfs/dbraw/zinc/92/09/75/703920975.db2.gz UJXHRBOXIQJPLU-SCTDSRPQSA-N 2 1 347.503 1.337 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000997624573 703920976 /nfs/dbraw/zinc/92/09/76/703920976.db2.gz UJXHRBOXIQJPLU-SCTDSRPQSA-N 2 1 347.503 1.337 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000997831721 704750022 /nfs/dbraw/zinc/75/00/22/704750022.db2.gz KYRQNHRTHRKKGQ-IBGZPJMESA-N 2 1 347.503 1.339 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000997831721 704750023 /nfs/dbraw/zinc/75/00/23/704750023.db2.gz KYRQNHRTHRKKGQ-IBGZPJMESA-N 2 1 347.503 1.339 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C(F)(F)F ZINC000998316400 705736653 /nfs/dbraw/zinc/73/66/53/705736653.db2.gz QUQPJIRAAFPCDY-CHWSQXEVSA-N 2 1 328.338 1.194 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000999715380 707253375 /nfs/dbraw/zinc/25/33/75/707253375.db2.gz TUKIWDQJKYKKNM-GOSISDBHSA-N 2 1 337.427 1.844 20 30 EDEDMP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001033419589 707828290 /nfs/dbraw/zinc/82/82/90/707828290.db2.gz KCJXREJWZISOLX-UYAOXDASSA-N 2 1 339.483 1.913 20 30 EDEDMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001033419589 707828293 /nfs/dbraw/zinc/82/82/93/707828293.db2.gz KCJXREJWZISOLX-UYAOXDASSA-N 2 1 339.483 1.913 20 30 EDEDMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001033419589 707828297 /nfs/dbraw/zinc/82/82/97/707828297.db2.gz KCJXREJWZISOLX-UYAOXDASSA-N 2 1 339.483 1.913 20 30 EDEDMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001033419589 707828301 /nfs/dbraw/zinc/82/83/01/707828301.db2.gz KCJXREJWZISOLX-UYAOXDASSA-N 2 1 339.483 1.913 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCOCC2)CC1 ZINC001032800441 708080872 /nfs/dbraw/zinc/08/08/72/708080872.db2.gz JEJCJFHBPPODCS-OALUTQOASA-N 2 1 345.487 1.043 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033583676 708307884 /nfs/dbraw/zinc/30/78/84/708307884.db2.gz XVDJQLHIXUTIJI-QFBILLFUSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033583676 708307887 /nfs/dbraw/zinc/30/78/87/708307887.db2.gz XVDJQLHIXUTIJI-QFBILLFUSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033583676 708307889 /nfs/dbraw/zinc/30/78/89/708307889.db2.gz XVDJQLHIXUTIJI-QFBILLFUSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033583676 708307890 /nfs/dbraw/zinc/30/78/90/708307890.db2.gz XVDJQLHIXUTIJI-QFBILLFUSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033656718 708426541 /nfs/dbraw/zinc/42/65/41/708426541.db2.gz DFNUQGWXADQEBU-SFHVURJKSA-N 2 1 326.444 1.687 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664004 708445173 /nfs/dbraw/zinc/44/51/73/708445173.db2.gz BGAMIDDGMRMRCR-RDJZCZTQSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664004 708445175 /nfs/dbraw/zinc/44/51/75/708445175.db2.gz BGAMIDDGMRMRCR-RDJZCZTQSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664004 708445177 /nfs/dbraw/zinc/44/51/77/708445177.db2.gz BGAMIDDGMRMRCR-RDJZCZTQSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664004 708445179 /nfs/dbraw/zinc/44/51/79/708445179.db2.gz BGAMIDDGMRMRCR-RDJZCZTQSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033662253 708477184 /nfs/dbraw/zinc/47/71/84/708477184.db2.gz POUGNBHUSQCHEZ-ROUUACIJSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033662253 708477187 /nfs/dbraw/zinc/47/71/87/708477187.db2.gz POUGNBHUSQCHEZ-ROUUACIJSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033662253 708477188 /nfs/dbraw/zinc/47/71/88/708477188.db2.gz POUGNBHUSQCHEZ-ROUUACIJSA-N 2 1 326.444 1.543 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033662253 708477191 /nfs/dbraw/zinc/47/71/91/708477191.db2.gz POUGNBHUSQCHEZ-ROUUACIJSA-N 2 1 326.444 1.543 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001002120189 708633614 /nfs/dbraw/zinc/63/36/14/708633614.db2.gz HXKQKRRZNZKLIL-IBGZPJMESA-N 2 1 340.471 1.838 20 30 EDEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033837160 708866110 /nfs/dbraw/zinc/86/61/10/708866110.db2.gz LDNONUDDFCIEQB-MRXNPFEDSA-N 2 1 333.480 1.557 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033838098 708868345 /nfs/dbraw/zinc/86/83/45/708868345.db2.gz OYVUJCXBAYCLDU-QGZVFWFLSA-N 2 1 347.507 1.947 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001034043495 709294595 /nfs/dbraw/zinc/29/45/95/709294595.db2.gz VSZXEVIEBVSKEQ-RTBURBONSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001034043495 709294598 /nfs/dbraw/zinc/29/45/98/709294598.db2.gz VSZXEVIEBVSKEQ-RTBURBONSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001034043495 709294601 /nfs/dbraw/zinc/29/46/01/709294601.db2.gz VSZXEVIEBVSKEQ-RTBURBONSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001034043495 709294603 /nfs/dbraw/zinc/29/46/03/709294603.db2.gz VSZXEVIEBVSKEQ-RTBURBONSA-N 2 1 340.471 1.933 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC001034663739 710333128 /nfs/dbraw/zinc/33/31/28/710333128.db2.gz KFFSDODGAZZUKW-JYJNAYRXSA-N 2 1 346.500 1.758 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC001034663739 710333130 /nfs/dbraw/zinc/33/31/30/710333130.db2.gz KFFSDODGAZZUKW-JYJNAYRXSA-N 2 1 346.500 1.758 20 30 EDEDMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C#N)cs3)C2)[C@@H]1C(C)C ZINC000922392682 711458073 /nfs/dbraw/zinc/45/80/73/711458073.db2.gz GBETUFPXHRFYMP-JHNDHUHGSA-N 2 1 334.489 1.974 20 30 EDEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C#N)cs3)C2)[C@@H]1C(C)C ZINC000922392682 711458076 /nfs/dbraw/zinc/45/80/76/711458076.db2.gz GBETUFPXHRFYMP-JHNDHUHGSA-N 2 1 334.489 1.974 20 30 EDEDMP COc1ccc(CNC(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000264097585 249333946 /nfs/dbraw/zinc/33/39/46/249333946.db2.gz NBMIVWHWKIRHKH-AWEZNQCLSA-N 2 1 334.464 1.983 20 30 EDEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377832425 250294383 /nfs/dbraw/zinc/29/43/83/250294383.db2.gz RUURKIIXIUADIN-ZWKOTPCHSA-N 2 1 349.523 1.095 20 30 EDEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377832425 250294384 /nfs/dbraw/zinc/29/43/84/250294384.db2.gz RUURKIIXIUADIN-ZWKOTPCHSA-N 2 1 349.523 1.095 20 30 EDEDMP N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000424128484 252134210 /nfs/dbraw/zinc/13/42/10/252134210.db2.gz FMWFHYJMDFLHHQ-QGZVFWFLSA-N 2 1 330.432 1.156 20 30 EDEDMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CC#CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000341880620 288305095 /nfs/dbraw/zinc/30/50/95/288305095.db2.gz FVBWDFBZFFQOFG-FGYAAKKASA-N 2 1 330.520 1.327 20 30 EDEDMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC#CCN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000341880620 288305096 /nfs/dbraw/zinc/30/50/96/288305096.db2.gz FVBWDFBZFFQOFG-FGYAAKKASA-N 2 1 330.520 1.327 20 30 EDEDMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC#CCN1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000341880620 288305097 /nfs/dbraw/zinc/30/50/97/288305097.db2.gz FVBWDFBZFFQOFG-FGYAAKKASA-N 2 1 330.520 1.327 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(c2cccc(F)c2)CC1 ZINC000081641304 441299475 /nfs/dbraw/zinc/29/94/75/441299475.db2.gz KDSCZXILZWIRCH-UHFFFAOYSA-N 2 1 334.439 1.484 20 30 EDEDMP CN(CC[N@@H+](C)CCOc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000177375100 442334127 /nfs/dbraw/zinc/33/41/27/442334127.db2.gz FINJHAJFMKIAPS-UHFFFAOYSA-N 2 1 330.476 1.895 20 30 EDEDMP C[NH+]1CCC(CNC(=[NH2+])Nc2ccccn2)(N2CCCCC2)CC1 ZINC000178585833 442445659 /nfs/dbraw/zinc/44/56/59/442445659.db2.gz FTVOHIBTQLVXST-UHFFFAOYSA-N 2 1 330.480 1.759 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000173275936 442640037 /nfs/dbraw/zinc/64/00/37/442640037.db2.gz OHPYLADXUFNJBR-UHFFFAOYSA-N 2 1 342.443 1.337 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000173275936 442640040 /nfs/dbraw/zinc/64/00/40/442640040.db2.gz OHPYLADXUFNJBR-UHFFFAOYSA-N 2 1 342.443 1.337 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc(F)c(F)c1 ZINC000189052435 442867220 /nfs/dbraw/zinc/86/72/20/442867220.db2.gz SBLVWQWNVOOKJH-UHFFFAOYSA-N 2 1 326.391 1.134 20 30 EDEDMP CCCNC(=O)c1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000264094750 443248798 /nfs/dbraw/zinc/24/87/98/443248798.db2.gz MCOYKTGFTHEBSE-QGZVFWFLSA-N 2 1 345.491 1.715 20 30 EDEDMP COc1cccc(Cl)c1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000191151632 443249558 /nfs/dbraw/zinc/24/95/58/443249558.db2.gz XAWHSNLLHZOHET-UHFFFAOYSA-N 2 1 340.855 1.475 20 30 EDEDMP CCCCCCNC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264116321 443249725 /nfs/dbraw/zinc/24/97/25/443249725.db2.gz SQKURMJSXLDQPB-SFHVURJKSA-N 2 1 332.492 1.890 20 30 EDEDMP C[C@H](C(=O)N(C)CCC#N)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280555434 443736283 /nfs/dbraw/zinc/73/62/83/443736283.db2.gz UPJDXGRVGCEHHT-QRQLOZEOSA-N 2 1 340.471 1.811 20 30 EDEDMP C[NH+](CCNc1nc(NCC[N@H+](C)C2CC2)ccc1C#N)C1CC1 ZINC000278169068 444110879 /nfs/dbraw/zinc/11/08/79/444110879.db2.gz CLPWBVNKXUQRJV-UHFFFAOYSA-N 2 1 328.464 1.965 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000297607655 444308005 /nfs/dbraw/zinc/30/80/05/444308005.db2.gz WLHHAIMDCGFLLF-UHFFFAOYSA-N 2 1 334.464 1.616 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000297198076 444277729 /nfs/dbraw/zinc/27/77/29/444277729.db2.gz CPGWVJQITJRNPQ-GOSISDBHSA-N 2 1 328.460 1.640 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000297198076 444277732 /nfs/dbraw/zinc/27/77/32/444277732.db2.gz CPGWVJQITJRNPQ-GOSISDBHSA-N 2 1 328.460 1.640 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000297198076 444277735 /nfs/dbraw/zinc/27/77/35/444277735.db2.gz CPGWVJQITJRNPQ-GOSISDBHSA-N 2 1 328.460 1.640 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000297198076 444277737 /nfs/dbraw/zinc/27/77/37/444277737.db2.gz CPGWVJQITJRNPQ-GOSISDBHSA-N 2 1 328.460 1.640 20 30 EDEDMP C[C@@H]1CC[C@](CO)([NH+](C)CC#CC[N@H+](C)[C@]2(CO)CC[C@H](C)C2)C1 ZINC000342168968 444545634 /nfs/dbraw/zinc/54/56/34/444545634.db2.gz OVNOUZSETNDTFY-JVSBHGNQSA-N 2 1 336.520 1.956 20 30 EDEDMP C[C@@H]1CC[C@](CO)([N@@H+](C)CC#CC[NH+](C)[C@]2(CO)CC[C@H](C)C2)C1 ZINC000342168968 444545639 /nfs/dbraw/zinc/54/56/39/444545639.db2.gz OVNOUZSETNDTFY-JVSBHGNQSA-N 2 1 336.520 1.956 20 30 EDEDMP C[C@@H]1CC[C@](CO)([N@H+](C)CC#CC[NH+](C)[C@]2(CO)CC[C@H](C)C2)C1 ZINC000342168968 444545641 /nfs/dbraw/zinc/54/56/41/444545641.db2.gz OVNOUZSETNDTFY-JVSBHGNQSA-N 2 1 336.520 1.956 20 30 EDEDMP C=C(C)CN(CC)C(=O)CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000362639535 445474178 /nfs/dbraw/zinc/47/41/78/445474178.db2.gz LHMHGUWYWIJSDZ-KRWDZBQOSA-N 2 1 336.524 1.511 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)[C@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000365527865 446241998 /nfs/dbraw/zinc/24/19/98/446241998.db2.gz NMUWEYCTJNRRSF-FQEVSTJZSA-N 2 1 343.471 1.993 20 30 EDEDMP O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@@H+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1 ZINC000412047051 446808406 /nfs/dbraw/zinc/80/84/06/446808406.db2.gz OMNSOYDIKWWIJC-XAWFRAJHSA-N 2 1 332.488 1.175 20 30 EDEDMP O[C@@H]1CC[C@@H]2C[N@@H+](CC#CC[NH+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1 ZINC000412047051 446808414 /nfs/dbraw/zinc/80/84/14/446808414.db2.gz OMNSOYDIKWWIJC-XAWFRAJHSA-N 2 1 332.488 1.175 20 30 EDEDMP O[C@@H]1CC[C@@H]2C[N@H+](CC#CC[NH+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1 ZINC000412047051 446808421 /nfs/dbraw/zinc/80/84/21/446808421.db2.gz OMNSOYDIKWWIJC-XAWFRAJHSA-N 2 1 332.488 1.175 20 30 EDEDMP C=CCC[C@@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000578024858 448444274 /nfs/dbraw/zinc/44/42/74/448444274.db2.gz HKJBWWZTLRDIQI-KRWDZBQOSA-N 2 1 337.508 1.626 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2OC)CC1 ZINC000581006811 448962907 /nfs/dbraw/zinc/96/29/07/448962907.db2.gz RCZOHEHVGFBOFO-GOSISDBHSA-N 2 1 334.460 1.813 20 30 EDEDMP C[C@H]1C[N@H+](C)C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1 ZINC000602072998 449322745 /nfs/dbraw/zinc/32/27/45/449322745.db2.gz OBCDMEBBJIJMDT-YJBOKZPZSA-N 2 1 344.459 1.168 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1 ZINC000602072998 449322750 /nfs/dbraw/zinc/32/27/50/449322750.db2.gz OBCDMEBBJIJMDT-YJBOKZPZSA-N 2 1 344.459 1.168 20 30 EDEDMP C[NH+]1CCN([C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)c2cccs2)CC1 ZINC000600727623 449521479 /nfs/dbraw/zinc/52/14/79/449521479.db2.gz PAUGKANXVDDHTA-HOTGVXAUSA-N 2 1 348.516 1.681 20 30 EDEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(OC)c1 ZINC000613211282 450082173 /nfs/dbraw/zinc/08/21/73/450082173.db2.gz YWWPLWPVOYYJSY-IXDOHACOSA-N 2 1 332.444 1.315 20 30 EDEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(OC)c1 ZINC000613211282 450082180 /nfs/dbraw/zinc/08/21/80/450082180.db2.gz YWWPLWPVOYYJSY-IXDOHACOSA-N 2 1 332.444 1.315 20 30 EDEDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508162 450195645 /nfs/dbraw/zinc/19/56/45/450195645.db2.gz UQGDVEWRFFUQGM-ICSRJNTNSA-N 2 1 343.471 1.910 20 30 EDEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508162 450195649 /nfs/dbraw/zinc/19/56/49/450195649.db2.gz UQGDVEWRFFUQGM-ICSRJNTNSA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508162 450195652 /nfs/dbraw/zinc/19/56/52/450195652.db2.gz UQGDVEWRFFUQGM-ICSRJNTNSA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508162 450195656 /nfs/dbraw/zinc/19/56/56/450195656.db2.gz UQGDVEWRFFUQGM-ICSRJNTNSA-N 2 1 343.471 1.910 20 30 EDEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327174 453045902 /nfs/dbraw/zinc/04/59/02/453045902.db2.gz FAAVAMHWPPYGAQ-AWEZNQCLSA-N 2 1 345.491 1.747 20 30 EDEDMP C=CC[C@]1(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCC[NH2+]1 ZINC000662445511 453151367 /nfs/dbraw/zinc/15/13/67/453151367.db2.gz RWOUJDZNNYJUFE-LJQANCHMSA-N 2 1 335.492 1.836 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000730106347 578615099 /nfs/dbraw/zinc/61/50/99/578615099.db2.gz YPTCQXCDFURXSF-IBGZPJMESA-N 2 1 340.471 1.470 20 30 EDEDMP CC[N@@H+]1CCC[C@H]1Cn1c(C)cc(C=NNC2=[NH+]C[C@@H](C)N2)c1C ZINC000779794292 580497411 /nfs/dbraw/zinc/49/74/11/580497411.db2.gz GKLJFYPHWWUREE-DYVFJYSZSA-N 2 1 330.480 1.860 20 30 EDEDMP CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNC2=[NH+]C[C@@H](C)N2)c1C ZINC000779794292 580497412 /nfs/dbraw/zinc/49/74/12/580497412.db2.gz GKLJFYPHWWUREE-DYVFJYSZSA-N 2 1 330.480 1.860 20 30 EDEDMP N#Cc1ccc(C[NH+]2CCN(C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000908930466 592682874 /nfs/dbraw/zinc/68/28/74/592682874.db2.gz KLOCHPWMCJDHCY-LJQANCHMSA-N 2 1 328.460 1.133 20 30 EDEDMP C#CC[C@H]1CCC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000829769503 594259674 /nfs/dbraw/zinc/25/96/74/594259674.db2.gz WJIYJSVAOHSKRS-ZWKOTPCHSA-N 2 1 335.492 1.195 20 30 EDEDMP C[NH+](C)C[C@](C)(C=NNCCC[NH+]1CCOCC1)c1ccccc1 ZINC000834977724 595244105 /nfs/dbraw/zinc/24/41/05/595244105.db2.gz XRNQGKXTSVUVPB-IBGZPJMESA-N 2 1 332.492 1.804 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000852857388 595579207 /nfs/dbraw/zinc/57/92/07/595579207.db2.gz RHPZWWMCDYDJQS-UHFFFAOYSA-N 2 1 343.446 1.863 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000852857388 595579209 /nfs/dbraw/zinc/57/92/09/595579209.db2.gz RHPZWWMCDYDJQS-UHFFFAOYSA-N 2 1 343.446 1.863 20 30 EDEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856591899 596026133 /nfs/dbraw/zinc/02/61/33/596026133.db2.gz DAMAYPNTWHPKBA-QAPCUYQASA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856591899 596026137 /nfs/dbraw/zinc/02/61/37/596026137.db2.gz DAMAYPNTWHPKBA-QAPCUYQASA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591899 596026142 /nfs/dbraw/zinc/02/61/42/596026142.db2.gz DAMAYPNTWHPKBA-QAPCUYQASA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591899 596026147 /nfs/dbraw/zinc/02/61/47/596026147.db2.gz DAMAYPNTWHPKBA-QAPCUYQASA-N 2 1 346.475 1.677 20 30 EDEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000876801654 597344963 /nfs/dbraw/zinc/34/49/63/597344963.db2.gz HFZKNSSUZRMDQE-SQNIBIBYSA-N 2 1 338.455 1.516 20 30 EDEDMP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000878084259 597576947 /nfs/dbraw/zinc/57/69/47/597576947.db2.gz QBVQYPJMSXANTN-RTBURBONSA-N 2 1 329.444 2.000 20 30 EDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943772921 698879666 /nfs/dbraw/zinc/87/96/66/698879666.db2.gz WAWGOEXPUVXYMW-YJBOKZPZSA-N 2 1 337.427 1.731 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943772921 698879673 /nfs/dbraw/zinc/87/96/73/698879673.db2.gz WAWGOEXPUVXYMW-YJBOKZPZSA-N 2 1 337.427 1.731 20 30 EDEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941566708 701585396 /nfs/dbraw/zinc/58/53/96/701585396.db2.gz KMGVYOOQVZEAQU-QGZVFWFLSA-N 2 1 334.508 1.123 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cnccc3C)C2)CC1 ZINC001032205189 702048012 /nfs/dbraw/zinc/04/80/12/702048012.db2.gz QTROMTGFHLOGDV-UHFFFAOYSA-N 2 1 340.471 1.283 20 30 EDEDMP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001032205558 702065263 /nfs/dbraw/zinc/06/52/63/702065263.db2.gz AQVMAHILRDSGFY-IBGZPJMESA-N 2 1 340.471 1.981 20 30 EDEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001032205558 702065270 /nfs/dbraw/zinc/06/52/70/702065270.db2.gz AQVMAHILRDSGFY-IBGZPJMESA-N 2 1 340.471 1.981 20 30 EDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1(C)C ZINC000996069685 702480614 /nfs/dbraw/zinc/48/06/14/702480614.db2.gz KUCXKSZQRLDUKM-BHEGOAEISA-N 2 1 333.476 1.252 20 30 EDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942521268 703023318 /nfs/dbraw/zinc/02/33/18/703023318.db2.gz SLEJMCAZWFWLIP-HOTGVXAUSA-N 2 1 328.460 1.612 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942521268 703023319 /nfs/dbraw/zinc/02/33/19/703023319.db2.gz SLEJMCAZWFWLIP-HOTGVXAUSA-N 2 1 328.460 1.612 20 30 EDEDMP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942723 704795161 /nfs/dbraw/zinc/79/51/61/704795161.db2.gz CKUGUMIBRFTKBS-LPHOPBHVSA-N 2 1 340.471 1.981 20 30 EDEDMP C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944946483 704799435 /nfs/dbraw/zinc/79/94/35/704799435.db2.gz WRRMWPAQKURCDQ-ICSRJNTNSA-N 2 1 339.483 1.961 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cccnc2C)C1 ZINC000998923590 706351850 /nfs/dbraw/zinc/35/18/50/706351850.db2.gz RNBBXFANNJOPJL-ACBHZAAOSA-N 2 1 340.471 1.567 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cccnc2C)C1 ZINC000998923590 706351853 /nfs/dbraw/zinc/35/18/53/706351853.db2.gz RNBBXFANNJOPJL-ACBHZAAOSA-N 2 1 340.471 1.567 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2conc2C)C1 ZINC000999391902 706905056 /nfs/dbraw/zinc/90/50/56/706905056.db2.gz NXWPSZYLYTUAIV-IRXDYDNUSA-N 2 1 330.432 1.161 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2conc2C)C1 ZINC000999391902 706905058 /nfs/dbraw/zinc/90/50/58/706905058.db2.gz NXWPSZYLYTUAIV-IRXDYDNUSA-N 2 1 330.432 1.161 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000999835443 707469186 /nfs/dbraw/zinc/46/91/86/707469186.db2.gz GAIBRWGKUORUDP-GTPINHCMSA-N 2 1 344.434 1.728 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CC#Cc3ccccc3)CC2)C1 ZINC001002121226 708635270 /nfs/dbraw/zinc/63/52/70/708635270.db2.gz QUILQCONEXLKKN-HXUWFJFHSA-N 2 1 339.483 1.818 20 30 EDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCN3CCOCC3)CC[C@@H]2C1 ZINC000946824630 709549571 /nfs/dbraw/zinc/54/95/71/709549571.db2.gz XDNASEWWSAEOAS-HDICACEKSA-N 2 1 335.492 1.455 20 30 EDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824630 709549573 /nfs/dbraw/zinc/54/95/73/709549573.db2.gz XDNASEWWSAEOAS-HDICACEKSA-N 2 1 335.492 1.455 20 30 EDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824630 709549574 /nfs/dbraw/zinc/54/95/74/709549574.db2.gz XDNASEWWSAEOAS-HDICACEKSA-N 2 1 335.492 1.455 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001003057493 709892828 /nfs/dbraw/zinc/89/28/28/709892828.db2.gz ZNUUXTKLROPPMQ-SFHVURJKSA-N 2 1 333.476 1.091 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001003057493 709892833 /nfs/dbraw/zinc/89/28/33/709892833.db2.gz ZNUUXTKLROPPMQ-SFHVURJKSA-N 2 1 333.476 1.091 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001003056370 709906119 /nfs/dbraw/zinc/90/61/19/709906119.db2.gz QLIIWPDWZNVDFB-IBGZPJMESA-N 2 1 347.503 1.481 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001003056370 709906120 /nfs/dbraw/zinc/90/61/20/709906120.db2.gz QLIIWPDWZNVDFB-IBGZPJMESA-N 2 1 347.503 1.481 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)NC1CCN(Cc2conc2CC)CC1 ZINC001003056877 709906552 /nfs/dbraw/zinc/90/65/52/709906552.db2.gz VMTSZXHWIASAQY-SFHVURJKSA-N 2 1 344.459 1.415 20 30 EDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034435184 710008047 /nfs/dbraw/zinc/00/80/47/710008047.db2.gz HAJRYWBNFGCOKL-KRWDZBQOSA-N 2 1 331.464 1.052 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001003631778 710460653 /nfs/dbraw/zinc/46/06/53/710460653.db2.gz VCUOWZFWEPABDR-DNVCBOLYSA-N 2 1 340.471 1.837 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004598923 712042547 /nfs/dbraw/zinc/04/25/47/712042547.db2.gz ATGWRRFPONQWFF-GOSISDBHSA-N 2 1 329.488 1.809 20 30 EDEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004599032 712043192 /nfs/dbraw/zinc/04/31/92/712043192.db2.gz BSVOWRPSMILAMT-SFHVURJKSA-N 2 1 329.488 1.809 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004618974 712079658 /nfs/dbraw/zinc/07/96/58/712079658.db2.gz YYSUDEKGQLPFCC-SFHVURJKSA-N 2 1 328.460 1.918 20 30 EDEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004618974 712079660 /nfs/dbraw/zinc/07/96/60/712079660.db2.gz YYSUDEKGQLPFCC-SFHVURJKSA-N 2 1 328.460 1.918 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCCc2ccccc21 ZINC000264083159 249332657 /nfs/dbraw/zinc/33/26/57/249332657.db2.gz IDKXRIZHHIMBIQ-KRWDZBQOSA-N 2 1 330.476 1.733 20 30 EDEDMP CCCCCCNC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264084394 249333047 /nfs/dbraw/zinc/33/30/47/249333047.db2.gz JIOJCYIOMUPAIO-UHFFFAOYSA-N 2 1 347.511 1.473 20 30 EDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375889555 250281935 /nfs/dbraw/zinc/28/19/35/250281935.db2.gz KGUCWGOIBVDWMM-SFHVURJKSA-N 2 1 336.524 1.511 20 30 EDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375889555 250281939 /nfs/dbraw/zinc/28/19/39/250281939.db2.gz KGUCWGOIBVDWMM-SFHVURJKSA-N 2 1 336.524 1.511 20 30 EDEDMP CC[NH+]1CCN(CCCC[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123286635 222249744 /nfs/dbraw/zinc/24/97/44/222249744.db2.gz CPFMZNOKNRMQOK-UHFFFAOYSA-N 2 1 340.475 1.713 20 30 EDEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000519819369 270015477 /nfs/dbraw/zinc/01/54/77/270015477.db2.gz KQPVORDDYVODRY-LJQANCHMSA-N 2 1 328.460 1.491 20 30 EDEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000530236043 268297928 /nfs/dbraw/zinc/29/79/28/268297928.db2.gz MQCOSNUWEKTQIR-MSOLQXFVSA-N 2 1 345.443 1.141 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cn2cncn2)cc1 ZINC000170909283 442286763 /nfs/dbraw/zinc/28/67/63/442286763.db2.gz MDHCNBZOWZXKFQ-KRWDZBQOSA-N 2 1 341.463 1.215 20 30 EDEDMP C[NH+]=C(NCCn1cnc2ccccc21)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261942101 443174722 /nfs/dbraw/zinc/17/47/22/443174722.db2.gz DSNPGYRXYZOZLR-WBVHZDCISA-N 2 1 342.491 1.930 20 30 EDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000261963788 443176592 /nfs/dbraw/zinc/17/65/92/443176592.db2.gz KYGBDHKSJRRZNR-WBVHZDCISA-N 2 1 343.479 1.937 20 30 EDEDMP CC[NH+]=C(NCc1cccc2c1OCO2)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262001845 443179496 /nfs/dbraw/zinc/17/94/96/443179496.db2.gz UNIQUTJXNBLDHO-CJNGLKHVSA-N 2 1 344.459 1.953 20 30 EDEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000264037446 443246177 /nfs/dbraw/zinc/24/61/77/443246177.db2.gz CNJPXFMQERKYRJ-QGZVFWFLSA-N 2 1 327.472 1.968 20 30 EDEDMP C=CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000286619922 443718643 /nfs/dbraw/zinc/71/86/43/443718643.db2.gz CJGYWQJTJHFUPA-HLLBOEOZSA-N 2 1 333.480 1.426 20 30 EDEDMP C=CCNC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000286619928 443719022 /nfs/dbraw/zinc/71/90/22/443719022.db2.gz CJGYWQJTJHFUPA-YQQAZPJKSA-N 2 1 333.480 1.426 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc2[nH]ccc2c1 ZINC000281635112 443965043 /nfs/dbraw/zinc/96/50/43/443965043.db2.gz ACGNWVJDYYSJPG-UHFFFAOYSA-N 2 1 329.448 1.337 20 30 EDEDMP CN(CCC[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1)CC[NH+](C)C ZINC000289358422 444116538 /nfs/dbraw/zinc/11/65/38/444116538.db2.gz GZKQHWQRFITAHB-SFHVURJKSA-N 2 1 348.491 1.113 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000295009599 444163558 /nfs/dbraw/zinc/16/35/58/444163558.db2.gz MPTOEFSOMVKKAZ-HNNXBMFYSA-N 2 1 347.459 1.966 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000295009599 444163560 /nfs/dbraw/zinc/16/35/60/444163560.db2.gz MPTOEFSOMVKKAZ-HNNXBMFYSA-N 2 1 347.459 1.966 20 30 EDEDMP CC(C)[NH+]1CCCN(CC#CCN2CCC[N@H+](C(C)C)CC2)CC1 ZINC000341895454 445058305 /nfs/dbraw/zinc/05/83/05/445058305.db2.gz MGHNPYGPGAZROL-UHFFFAOYSA-N 2 1 334.552 1.822 20 30 EDEDMP C=CCc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1O ZINC000347170197 445233363 /nfs/dbraw/zinc/23/33/63/445233363.db2.gz NFSBHKZSCCQXAR-MRXNPFEDSA-N 2 1 347.459 1.416 20 30 EDEDMP C=CCOCCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000348027973 445262843 /nfs/dbraw/zinc/26/28/43/445262843.db2.gz GJWNQMSCIYAIOG-SFHVURJKSA-N 2 1 325.497 1.306 20 30 EDEDMP C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366000008 445953776 /nfs/dbraw/zinc/95/37/76/445953776.db2.gz HVEZBNKBHVGYQO-HNNXBMFYSA-N 2 1 328.420 1.033 20 30 EDEDMP C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366000008 445953783 /nfs/dbraw/zinc/95/37/83/445953783.db2.gz HVEZBNKBHVGYQO-HNNXBMFYSA-N 2 1 328.420 1.033 20 30 EDEDMP C#C[C@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000491790243 448124463 /nfs/dbraw/zinc/12/44/63/448124463.db2.gz XXFONCJMFLPIPR-INIZCTEOSA-N 2 1 334.851 1.851 20 30 EDEDMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000572028568 448267140 /nfs/dbraw/zinc/26/71/40/448267140.db2.gz CMGCQXSJXZYXST-ROUUACIJSA-N 2 1 331.460 1.814 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000592746919 448967703 /nfs/dbraw/zinc/96/77/03/448967703.db2.gz PXRICDPGCKBMLW-VQIMIIECSA-N 2 1 340.471 1.933 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000592746919 448967710 /nfs/dbraw/zinc/96/77/10/448967710.db2.gz PXRICDPGCKBMLW-VQIMIIECSA-N 2 1 340.471 1.933 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000592746919 448967714 /nfs/dbraw/zinc/96/77/14/448967714.db2.gz PXRICDPGCKBMLW-VQIMIIECSA-N 2 1 340.471 1.933 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000592746919 448967719 /nfs/dbraw/zinc/96/77/19/448967719.db2.gz PXRICDPGCKBMLW-VQIMIIECSA-N 2 1 340.471 1.933 20 30 EDEDMP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000590604636 449216954 /nfs/dbraw/zinc/21/69/54/449216954.db2.gz LLPSWPLQRNIPAW-LJQANCHMSA-N 2 1 330.476 1.377 20 30 EDEDMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000590604636 449216960 /nfs/dbraw/zinc/21/69/60/449216960.db2.gz LLPSWPLQRNIPAW-LJQANCHMSA-N 2 1 330.476 1.377 20 30 EDEDMP C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000604546007 449250870 /nfs/dbraw/zinc/25/08/70/449250870.db2.gz BVRKDCFQICATPI-KRWDZBQOSA-N 2 1 341.459 1.398 20 30 EDEDMP C[C@H](CO)[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661440850 453818408 /nfs/dbraw/zinc/81/84/08/453818408.db2.gz FIYIQVKGRZSGMD-WTGUMLROSA-N 2 1 336.520 1.956 20 30 EDEDMP C[C@H](CO)[C@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@H]1[C@H](C)CO ZINC000661440850 453818411 /nfs/dbraw/zinc/81/84/11/453818411.db2.gz FIYIQVKGRZSGMD-WTGUMLROSA-N 2 1 336.520 1.956 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[S@@](=O)Cc1ccccc1 ZINC000267379667 535549374 /nfs/dbraw/zinc/54/93/74/535549374.db2.gz ARDDTZRYHJMIDC-WAIKUNEKSA-N 2 1 336.505 1.324 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000764607309 580124616 /nfs/dbraw/zinc/12/46/16/580124616.db2.gz MFXAARJMPVMEBL-MRXNPFEDSA-N 2 1 347.459 1.512 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000764607309 580124617 /nfs/dbraw/zinc/12/46/17/580124617.db2.gz MFXAARJMPVMEBL-MRXNPFEDSA-N 2 1 347.459 1.512 20 30 EDEDMP CCOCCCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000104180119 590800207 /nfs/dbraw/zinc/80/02/07/590800207.db2.gz CFORNBOZWJLAAL-MRXNPFEDSA-N 2 1 348.491 1.738 20 30 EDEDMP CCOCCCNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000104180119 590800210 /nfs/dbraw/zinc/80/02/10/590800210.db2.gz CFORNBOZWJLAAL-MRXNPFEDSA-N 2 1 348.491 1.738 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)CCC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000900799627 592119934 /nfs/dbraw/zinc/11/99/34/592119934.db2.gz VFULUONSJWQRCX-UHFFFAOYSA-N 2 1 348.535 1.397 20 30 EDEDMP Cc1cc(C#N)cc(C)c1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000905828364 592658030 /nfs/dbraw/zinc/65/80/30/592658030.db2.gz VJSCZABIJPQHAG-UHFFFAOYSA-N 2 1 338.459 1.781 20 30 EDEDMP C[N@H+](C[C@@H](O)C[NH2+]C1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000872222276 596841853 /nfs/dbraw/zinc/84/18/53/596841853.db2.gz RKHJOAHAVQCYFL-SFHVURJKSA-N 2 1 328.460 1.572 20 30 EDEDMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000872222276 596841855 /nfs/dbraw/zinc/84/18/55/596841855.db2.gz RKHJOAHAVQCYFL-SFHVURJKSA-N 2 1 328.460 1.572 20 30 EDEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000873875564 597428082 /nfs/dbraw/zinc/42/80/82/597428082.db2.gz DWDKBZNYHYIGBI-UHFFFAOYSA-N 2 1 326.444 1.688 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000873875564 597428085 /nfs/dbraw/zinc/42/80/85/597428085.db2.gz DWDKBZNYHYIGBI-UHFFFAOYSA-N 2 1 326.444 1.688 20 30 EDEDMP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)C2CC(O)C2)c1)C1CC(O)C1 ZINC000878430380 597601158 /nfs/dbraw/zinc/60/11/58/597601158.db2.gz FBNLNVLGEOJWML-UHFFFAOYSA-N 2 1 329.444 1.468 20 30 EDEDMP C#CCC1(O)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000880482903 597942938 /nfs/dbraw/zinc/94/29/38/597942938.db2.gz UWTPBXKSFNWUNB-HXUWFJFHSA-N 2 1 328.456 1.474 20 30 EDEDMP C#CCC1(O)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000880482903 597942939 /nfs/dbraw/zinc/94/29/39/597942939.db2.gz UWTPBXKSFNWUNB-HXUWFJFHSA-N 2 1 328.456 1.474 20 30 EDEDMP C[N@@H+](CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CCCCC1 ZINC000884189250 598020731 /nfs/dbraw/zinc/02/07/31/598020731.db2.gz AHMPGEOTNNXJPJ-WUJZJPHMSA-N 2 1 332.492 1.897 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000914099514 695098368 /nfs/dbraw/zinc/09/83/68/695098368.db2.gz CRIMBHHWUCLNRD-QGZVFWFLSA-N 2 1 334.508 1.895 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2C)C1 ZINC001031740898 698312877 /nfs/dbraw/zinc/31/28/77/698312877.db2.gz NNNHDWKBSHNKPA-IBGZPJMESA-N 2 1 325.456 1.641 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2CC)C1 ZINC001031741458 698316337 /nfs/dbraw/zinc/31/63/37/698316337.db2.gz ZPZBTKPKHUHORY-FQEVSTJZSA-N 2 1 339.483 1.895 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2CC)C1 ZINC001031741458 698316340 /nfs/dbraw/zinc/31/63/40/698316340.db2.gz ZPZBTKPKHUHORY-FQEVSTJZSA-N 2 1 339.483 1.895 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000941470772 701549824 /nfs/dbraw/zinc/54/98/24/701549824.db2.gz HCJCDUQDCNOKIR-GOSISDBHSA-N 2 1 334.508 1.121 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941470772 701549825 /nfs/dbraw/zinc/54/98/25/701549825.db2.gz HCJCDUQDCNOKIR-GOSISDBHSA-N 2 1 334.508 1.121 20 30 EDEDMP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031774306 699145514 /nfs/dbraw/zinc/14/55/14/699145514.db2.gz WJNYTTRVUTWVKR-SFHVURJKSA-N 2 1 326.444 1.591 20 30 EDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031774306 699145515 /nfs/dbraw/zinc/14/55/15/699145515.db2.gz WJNYTTRVUTWVKR-SFHVURJKSA-N 2 1 326.444 1.591 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941602819 701593343 /nfs/dbraw/zinc/59/33/43/701593343.db2.gz AGUBGXZHEAOWFO-HKUYNNGSSA-N 2 1 346.519 1.408 20 30 EDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000939409101 699563395 /nfs/dbraw/zinc/56/33/95/699563395.db2.gz RXORVSONIGNBFE-YOEHRIQHSA-N 2 1 325.416 1.894 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000939748151 699894909 /nfs/dbraw/zinc/89/49/09/699894909.db2.gz NWQZZXHOJTYZMG-KSSFIOAISA-N 2 1 337.427 1.700 20 30 EDEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000941438279 701540948 /nfs/dbraw/zinc/54/09/48/701540948.db2.gz NXCOFJQEQPUZMH-UHFFFAOYSA-N 2 1 334.508 1.265 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1(C)C ZINC000995845171 702126239 /nfs/dbraw/zinc/12/62/39/702126239.db2.gz IHCJURGGPBMFOS-HOTGVXAUSA-N 2 1 329.448 1.250 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1(C)C ZINC000995845171 702126241 /nfs/dbraw/zinc/12/62/41/702126241.db2.gz IHCJURGGPBMFOS-HOTGVXAUSA-N 2 1 329.448 1.250 20 30 EDEDMP C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996611001 702916002 /nfs/dbraw/zinc/91/60/02/702916002.db2.gz LZBHOISUNOQYGC-CHWSQXEVSA-N 2 1 344.297 1.673 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996684499 702982564 /nfs/dbraw/zinc/98/25/64/702982564.db2.gz JYKXGQVXKROBGP-SFHVURJKSA-N 2 1 326.444 1.260 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996684499 702982566 /nfs/dbraw/zinc/98/25/66/702982566.db2.gz JYKXGQVXKROBGP-SFHVURJKSA-N 2 1 326.444 1.260 20 30 EDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001032443930 703620732 /nfs/dbraw/zinc/62/07/32/703620732.db2.gz FVRPFNFLOFPLNL-OKZBNKHCSA-N 2 1 333.476 1.491 20 30 EDEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032443930 703620733 /nfs/dbraw/zinc/62/07/33/703620733.db2.gz FVRPFNFLOFPLNL-OKZBNKHCSA-N 2 1 333.476 1.491 20 30 EDEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001032443930 703620734 /nfs/dbraw/zinc/62/07/34/703620734.db2.gz FVRPFNFLOFPLNL-OKZBNKHCSA-N 2 1 333.476 1.491 20 30 EDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997691244 704563864 /nfs/dbraw/zinc/56/38/64/704563864.db2.gz IZEGCZUQBDBXCR-BPOAAREJSA-N 2 1 345.487 1.090 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccns2)C1 ZINC000998927777 706356089 /nfs/dbraw/zinc/35/60/89/706356089.db2.gz JGZYHRSDGQMDBD-XUJLQICISA-N 2 1 332.473 1.320 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccns2)C1 ZINC000998927777 706356093 /nfs/dbraw/zinc/35/60/93/706356093.db2.gz JGZYHRSDGQMDBD-XUJLQICISA-N 2 1 332.473 1.320 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999997832 707679639 /nfs/dbraw/zinc/67/96/39/707679639.db2.gz JJERTAPAGFENFO-GJZGRUSLSA-N 2 1 329.872 1.429 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999997832 707679640 /nfs/dbraw/zinc/67/96/40/707679640.db2.gz JJERTAPAGFENFO-GJZGRUSLSA-N 2 1 329.872 1.429 20 30 EDEDMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033580324 708260534 /nfs/dbraw/zinc/26/05/34/708260534.db2.gz CUMAQPNOGOKCCC-UXHICEINSA-N 2 1 339.483 1.913 20 30 EDEDMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033580324 708260537 /nfs/dbraw/zinc/26/05/37/708260537.db2.gz CUMAQPNOGOKCCC-UXHICEINSA-N 2 1 339.483 1.913 20 30 EDEDMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033580324 708260539 /nfs/dbraw/zinc/26/05/39/708260539.db2.gz CUMAQPNOGOKCCC-UXHICEINSA-N 2 1 339.483 1.913 20 30 EDEDMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033580324 708260542 /nfs/dbraw/zinc/26/05/42/708260542.db2.gz CUMAQPNOGOKCCC-UXHICEINSA-N 2 1 339.483 1.913 20 30 EDEDMP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001002478451 709027337 /nfs/dbraw/zinc/02/73/37/709027337.db2.gz DHFTZWLVNBTPJU-SFHVURJKSA-N 2 1 344.434 1.872 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001002478451 709027339 /nfs/dbraw/zinc/02/73/39/709027339.db2.gz DHFTZWLVNBTPJU-SFHVURJKSA-N 2 1 344.434 1.872 20 30 EDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001005495464 709205117 /nfs/dbraw/zinc/20/51/17/709205117.db2.gz CAXAVAHGVFOEPK-SFHVURJKSA-N 2 1 333.476 1.186 20 30 EDEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001034044085 709295831 /nfs/dbraw/zinc/29/58/31/709295831.db2.gz ZXGGNSCBSXSARA-RBUKOAKNSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001034044085 709295832 /nfs/dbraw/zinc/29/58/32/709295832.db2.gz ZXGGNSCBSXSARA-RBUKOAKNSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001034044085 709295833 /nfs/dbraw/zinc/29/58/33/709295833.db2.gz ZXGGNSCBSXSARA-RBUKOAKNSA-N 2 1 340.471 1.933 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCOC2CCC2)CC1 ZINC001005517463 709437537 /nfs/dbraw/zinc/43/75/37/709437537.db2.gz BUBMGHGSCCAGAW-IBGZPJMESA-N 2 1 347.503 1.576 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCOC2CCC2)CC1 ZINC001005517463 709437540 /nfs/dbraw/zinc/43/75/40/709437540.db2.gz BUBMGHGSCCAGAW-IBGZPJMESA-N 2 1 347.503 1.576 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC#CC)C[C@H]2CC1 ZINC000946628132 711974366 /nfs/dbraw/zinc/97/43/66/711974366.db2.gz IZJDKTCJAKLXSE-OTWHNJEPSA-N 2 1 327.472 1.278 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC#CC)C[C@H]2CC1 ZINC000946628132 711974369 /nfs/dbraw/zinc/97/43/69/711974369.db2.gz IZJDKTCJAKLXSE-OTWHNJEPSA-N 2 1 327.472 1.278 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC#CC)C[C@H]2CC1 ZINC000946628132 711974371 /nfs/dbraw/zinc/97/43/71/711974371.db2.gz IZJDKTCJAKLXSE-OTWHNJEPSA-N 2 1 327.472 1.278 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC#CC)C[C@H]2CC1 ZINC000946628132 711974374 /nfs/dbraw/zinc/97/43/74/711974374.db2.gz IZJDKTCJAKLXSE-OTWHNJEPSA-N 2 1 327.472 1.278 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001004618496 712079178 /nfs/dbraw/zinc/07/91/78/712079178.db2.gz XFMLJLXHFGHNJD-ROUUACIJSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004618496 712079180 /nfs/dbraw/zinc/07/91/80/712079180.db2.gz XFMLJLXHFGHNJD-ROUUACIJSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001004618496 712079182 /nfs/dbraw/zinc/07/91/82/712079182.db2.gz XFMLJLXHFGHNJD-ROUUACIJSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001004618496 712079184 /nfs/dbraw/zinc/07/91/84/712079184.db2.gz XFMLJLXHFGHNJD-ROUUACIJSA-N 2 1 333.476 1.043 20 30 EDEDMP N#Cc1cccc(OCC[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC000104070320 138299526 /nfs/dbraw/zinc/29/95/26/138299526.db2.gz VRRFHMPJGKCFES-SFHVURJKSA-N 2 1 342.443 1.351 20 30 EDEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCCCC1 ZINC000104166483 237057635 /nfs/dbraw/zinc/05/76/35/237057635.db2.gz AXWHMKGNUVOJAL-QGZVFWFLSA-N 2 1 346.475 1.869 20 30 EDEDMP C[C@@H](CCC[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418703548 251388496 /nfs/dbraw/zinc/38/84/96/251388496.db2.gz LWLFLKPFMMHVHR-INIZCTEOSA-N 2 1 343.475 1.903 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000490594463 255093457 /nfs/dbraw/zinc/09/34/57/255093457.db2.gz PABWMFPQYVITPN-LJQANCHMSA-N 3 1 348.535 1.206 20 30 EDEDMP CN(C)c1nc(N2C[C@@H](F)C[C@@H]2C[NH2+]Cc2ccc(C#N)o2)cc[nH+]1 ZINC000354926316 150035348 /nfs/dbraw/zinc/03/53/48/150035348.db2.gz QPODFDOXKKBGDS-QWHCGFSZSA-N 2 1 344.394 1.714 20 30 EDEDMP COc1cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)ccc1C#N ZINC000415122354 447391494 /nfs/dbraw/zinc/39/14/94/447391494.db2.gz IEIZROFSFXVGTG-INIZCTEOSA-N 2 1 326.404 1.454 20 30 EDEDMP CC#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000081156097 441236869 /nfs/dbraw/zinc/23/68/69/441236869.db2.gz KTVZHQMIFHRABH-UHFFFAOYSA-N 2 1 327.472 1.970 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCc1ccc(OC)cc1 ZINC000092854071 441834485 /nfs/dbraw/zinc/83/44/85/441834485.db2.gz NSMFRBXTVUCCIK-MRXNPFEDSA-N 2 1 334.464 1.600 20 30 EDEDMP CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)C12CCOCC2 ZINC000248629322 442909957 /nfs/dbraw/zinc/90/99/57/442909957.db2.gz GGYXIJVCZGPNGK-HRCADAONSA-N 2 1 338.496 1.349 20 30 EDEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261955818 443176113 /nfs/dbraw/zinc/17/61/13/443176113.db2.gz IQNHZXQCXJZOHG-JKSUJKDBSA-N 2 1 331.464 1.452 20 30 EDEDMP C[NH+]=C(NCc1ccc(C(N)=O)o1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262428611 443194275 /nfs/dbraw/zinc/19/42/75/443194275.db2.gz SBDWKYJINVKPFM-YHWZYXNKSA-N 2 1 333.436 1.059 20 30 EDEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262766207 443211478 /nfs/dbraw/zinc/21/14/78/443211478.db2.gz HGNXQBSSZFXIBG-MUSFGAPCSA-N 2 1 334.464 1.667 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185735911 443247949 /nfs/dbraw/zinc/24/79/49/443247949.db2.gz NDFLHWPLAGIRDG-QLFBSQMISA-N 2 1 336.480 1.629 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185735911 443247951 /nfs/dbraw/zinc/24/79/51/443247951.db2.gz NDFLHWPLAGIRDG-QLFBSQMISA-N 2 1 336.480 1.629 20 30 EDEDMP Cc1cc(Cl)nc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000283788475 443720363 /nfs/dbraw/zinc/72/03/63/443720363.db2.gz LXLAQZGWOOAJAV-UHFFFAOYSA-N 2 1 325.844 1.170 20 30 EDEDMP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000304820131 444253255 /nfs/dbraw/zinc/25/32/55/444253255.db2.gz BFRDZIOAOVRMLJ-SFHVURJKSA-N 2 1 338.411 1.515 20 30 EDEDMP [NH2+]=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000290669440 444308560 /nfs/dbraw/zinc/30/85/60/444308560.db2.gz OVADBSMVCXQMFG-GOSISDBHSA-N 2 1 330.476 1.936 20 30 EDEDMP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000328811278 444360988 /nfs/dbraw/zinc/36/09/88/444360988.db2.gz FEJVIFJOZFJTOR-IAGOWNOFSA-N 2 1 337.512 1.143 20 30 EDEDMP C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000329303725 444527548 /nfs/dbraw/zinc/52/75/48/444527548.db2.gz XONVBVNTGYFFDH-ZACQAIPSSA-N 2 1 338.496 1.352 20 30 EDEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1(O)CC[NH+](C(C)C)CC1)C2 ZINC000329560392 444629447 /nfs/dbraw/zinc/62/94/47/444629447.db2.gz ISRBBRQSXYODKC-OAHLLOKOSA-N 2 1 334.464 1.946 20 30 EDEDMP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[NH+]4CCN3CCC4)sc2C1 ZINC000329546765 444624021 /nfs/dbraw/zinc/62/40/21/444624021.db2.gz IFCMYZSSYJSMAI-AWEZNQCLSA-N 2 1 349.504 1.888 20 30 EDEDMP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3C[NH+]4CCN3CCC4)sc2C1 ZINC000329546765 444624024 /nfs/dbraw/zinc/62/40/24/444624024.db2.gz IFCMYZSSYJSMAI-AWEZNQCLSA-N 2 1 349.504 1.888 20 30 EDEDMP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)sc2C1 ZINC000329546765 444624028 /nfs/dbraw/zinc/62/40/28/444624028.db2.gz IFCMYZSSYJSMAI-AWEZNQCLSA-N 2 1 349.504 1.888 20 30 EDEDMP CC(C)[NH+]1CCc2nc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)sc2C1 ZINC000329546765 444624030 /nfs/dbraw/zinc/62/40/30/444624030.db2.gz IFCMYZSSYJSMAI-AWEZNQCLSA-N 2 1 349.504 1.888 20 30 EDEDMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000329915449 444766741 /nfs/dbraw/zinc/76/67/41/444766741.db2.gz DAQKWFBAMBEMOR-HUUCEWRRSA-N 2 1 326.485 1.208 20 30 EDEDMP C[C@@H]1COCCN1CCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000337129942 444954673 /nfs/dbraw/zinc/95/46/73/444954673.db2.gz JJGVCHBFFYVSGB-QGZVFWFLSA-N 2 1 328.460 1.397 20 30 EDEDMP C=CCSCCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364281608 445906257 /nfs/dbraw/zinc/90/62/57/445906257.db2.gz MZVNQKQINAZDSV-INIZCTEOSA-N 2 1 340.537 1.716 20 30 EDEDMP C[C@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000373529029 446249496 /nfs/dbraw/zinc/24/94/96/446249496.db2.gz KRPSMUCVNBKZTQ-JXFKEZNVSA-N 2 1 342.487 1.692 20 30 EDEDMP C(#CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1)C[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000367080445 446505036 /nfs/dbraw/zinc/50/50/36/446505036.db2.gz LCEVFPDUAIXEJL-JVSBHGNQSA-N 2 1 332.488 1.707 20 30 EDEDMP C(#CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000367080445 446505041 /nfs/dbraw/zinc/50/50/41/446505041.db2.gz LCEVFPDUAIXEJL-JVSBHGNQSA-N 2 1 332.488 1.707 20 30 EDEDMP C(#CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000367080445 446505047 /nfs/dbraw/zinc/50/50/47/446505047.db2.gz LCEVFPDUAIXEJL-JVSBHGNQSA-N 2 1 332.488 1.707 20 30 EDEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000372361359 447048590 /nfs/dbraw/zinc/04/85/90/447048590.db2.gz YYQCIIOZUGSDIY-BRWVUGGUSA-N 2 1 336.480 1.228 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000458321100 447768397 /nfs/dbraw/zinc/76/83/97/447768397.db2.gz NCCSQHHPNVFCSV-QGZVFWFLSA-N 2 1 338.496 1.173 20 30 EDEDMP C#CCN1CCN(C(=O)CN[C@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000491143916 447936301 /nfs/dbraw/zinc/93/63/01/447936301.db2.gz GYUKINQYZIXXLG-QGZVFWFLSA-N 2 1 349.862 1.131 20 30 EDEDMP C[C@@H](c1ccc(NC[C@@H](O)CN(C)CCC#N)cc1)[NH+]1CCOCC1 ZINC000566734176 448547099 /nfs/dbraw/zinc/54/70/99/448547099.db2.gz WELBRPREDLBEPL-QFBILLFUSA-N 2 1 346.475 1.698 20 30 EDEDMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590191652 449115074 /nfs/dbraw/zinc/11/50/74/449115074.db2.gz BRROXIXMFJNGHG-ICSRJNTNSA-N 2 1 343.471 1.910 20 30 EDEDMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590191652 449115080 /nfs/dbraw/zinc/11/50/80/449115080.db2.gz BRROXIXMFJNGHG-ICSRJNTNSA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590191652 449115086 /nfs/dbraw/zinc/11/50/86/449115086.db2.gz BRROXIXMFJNGHG-ICSRJNTNSA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)C1 ZINC000590191652 449115092 /nfs/dbraw/zinc/11/50/92/449115092.db2.gz BRROXIXMFJNGHG-ICSRJNTNSA-N 2 1 343.471 1.910 20 30 EDEDMP C[C@H]1C[N@H+](C)C[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1 ZINC000602072996 449322775 /nfs/dbraw/zinc/32/27/75/449322775.db2.gz OBCDMEBBJIJMDT-MAUKXSAKSA-N 2 1 344.459 1.168 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)O1 ZINC000602072996 449322782 /nfs/dbraw/zinc/32/27/82/449322782.db2.gz OBCDMEBBJIJMDT-MAUKXSAKSA-N 2 1 344.459 1.168 20 30 EDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595961830 449284866 /nfs/dbraw/zinc/28/48/66/449284866.db2.gz URJZCUVKXTWKNZ-ZWKOTPCHSA-N 2 1 344.459 1.281 20 30 EDEDMP C=C[C@](C)(O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000612049764 449539763 /nfs/dbraw/zinc/53/97/63/449539763.db2.gz JCYSYTPDVUMQBT-IBGZPJMESA-N 2 1 337.508 1.578 20 30 EDEDMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)[C@H]([NH3+])CCCCC#N)C[C@@H](C)O1 ZINC000594438951 449518162 /nfs/dbraw/zinc/51/81/62/449518162.db2.gz RHSIPPYLVVSCHV-WCXIOVBPSA-N 2 1 336.480 1.498 20 30 EDEDMP N#Cc1cccc(OCCn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000603207917 450142665 /nfs/dbraw/zinc/14/26/65/450142665.db2.gz FNWGCQOLMOQLHY-UHFFFAOYSA-N 2 1 340.431 1.194 20 30 EDEDMP C=CC[NH+]1CCC(NS(=O)(=O)c2cccc3c2CCN(C)C3)CC1 ZINC000641322290 451845941 /nfs/dbraw/zinc/84/59/41/451845941.db2.gz XNWNEVPNLSHVIT-UHFFFAOYSA-N 2 1 349.500 1.603 20 30 EDEDMP C=CCCn1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)nn1 ZINC000657596562 452365466 /nfs/dbraw/zinc/36/54/66/452365466.db2.gz OGKCRGZYBUCMDQ-IBGZPJMESA-N 2 1 341.459 1.711 20 30 EDEDMP C=CCCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)nn1 ZINC000657596562 452365473 /nfs/dbraw/zinc/36/54/73/452365473.db2.gz OGKCRGZYBUCMDQ-IBGZPJMESA-N 2 1 341.459 1.711 20 30 EDEDMP C=CC[C@]1(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000662701322 453422125 /nfs/dbraw/zinc/42/21/25/453422125.db2.gz OLXTVFGKMCRBRX-WSTZPKSXSA-N 2 1 348.535 1.702 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCc2ccccc2C1 ZINC000104167240 529100396 /nfs/dbraw/zinc/10/03/96/529100396.db2.gz HYMHTNKOZQEZNY-SFHVURJKSA-N 2 1 329.492 1.433 20 30 EDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCc2ccccc2C1 ZINC000104167240 529100399 /nfs/dbraw/zinc/10/03/99/529100399.db2.gz HYMHTNKOZQEZNY-SFHVURJKSA-N 3 1 329.492 1.433 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCc2ccccc2C1 ZINC000104167240 529100402 /nfs/dbraw/zinc/10/04/02/529100402.db2.gz HYMHTNKOZQEZNY-SFHVURJKSA-N 3 1 329.492 1.433 20 30 EDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC[N@@H+]1CCc2ccccc2C1 ZINC000104167240 529100404 /nfs/dbraw/zinc/10/04/04/529100404.db2.gz HYMHTNKOZQEZNY-SFHVURJKSA-N 3 1 329.492 1.433 20 30 EDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC[N@H+]1CCc2ccccc2C1 ZINC000104167240 529100408 /nfs/dbraw/zinc/10/04/08/529100408.db2.gz HYMHTNKOZQEZNY-SFHVURJKSA-N 3 1 329.492 1.433 20 30 EDEDMP CCOCCC[N@H+]1CCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)[C@H](C)C1 ZINC000753933135 579891498 /nfs/dbraw/zinc/89/14/98/579891498.db2.gz BMBCYKXHAVSQSC-OIISXLGYSA-N 2 1 335.496 1.971 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000771675988 580292209 /nfs/dbraw/zinc/29/22/09/580292209.db2.gz BPGGMLZVHYEREB-IBGZPJMESA-N 2 1 346.519 1.101 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000771675988 580292210 /nfs/dbraw/zinc/29/22/10/580292210.db2.gz BPGGMLZVHYEREB-IBGZPJMESA-N 2 1 346.519 1.101 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000771819914 580295520 /nfs/dbraw/zinc/29/55/20/580295520.db2.gz XNYQHHAWRKMTRP-SFHVURJKSA-N 2 1 326.444 1.512 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000771819914 580295521 /nfs/dbraw/zinc/29/55/21/580295521.db2.gz XNYQHHAWRKMTRP-SFHVURJKSA-N 2 1 326.444 1.512 20 30 EDEDMP CC[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000852858864 595579892 /nfs/dbraw/zinc/57/98/92/595579892.db2.gz JQHMOOKDPARPEG-HXUWFJFHSA-N 2 1 339.483 1.943 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000855733971 595811175 /nfs/dbraw/zinc/81/11/75/595811175.db2.gz CFTHLAAHPAEMTI-PMACEKPBSA-N 2 1 339.483 1.859 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000855733971 595811182 /nfs/dbraw/zinc/81/11/82/595811182.db2.gz CFTHLAAHPAEMTI-PMACEKPBSA-N 2 1 339.483 1.859 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCc2ccccc2)C1 ZINC000855733971 595811186 /nfs/dbraw/zinc/81/11/86/595811186.db2.gz CFTHLAAHPAEMTI-PMACEKPBSA-N 2 1 339.483 1.859 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCc2ccccc2)C1 ZINC000855733971 595811189 /nfs/dbraw/zinc/81/11/89/595811189.db2.gz CFTHLAAHPAEMTI-PMACEKPBSA-N 2 1 339.483 1.859 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000856328150 595955996 /nfs/dbraw/zinc/95/59/96/595955996.db2.gz JWCICTSKEFDEMB-SFHVURJKSA-N 2 1 330.476 1.037 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856626669 596039356 /nfs/dbraw/zinc/03/93/56/596039356.db2.gz KZFUXVXHMBHUNM-GOSISDBHSA-N 2 1 346.475 1.631 20 30 EDEDMP C=CCOc1ccccc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872254564 596855624 /nfs/dbraw/zinc/85/56/24/596855624.db2.gz HUWAGMZEVQZSDU-NUJGCVRESA-N 2 1 343.427 1.618 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000875621772 596922296 /nfs/dbraw/zinc/92/22/96/596922296.db2.gz ACCXYHJQFTUZPF-UHFFFAOYSA-N 2 1 336.524 1.951 20 30 EDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000876765500 597329646 /nfs/dbraw/zinc/32/96/46/597329646.db2.gz SGXUMNSGOULAAZ-SNPRPXQTSA-N 2 1 331.888 1.710 20 30 EDEDMP COCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000879125666 597826810 /nfs/dbraw/zinc/82/68/10/597826810.db2.gz FZGUBQYHVQMRBG-UHFFFAOYSA-N 2 1 344.459 1.787 20 30 EDEDMP COCC[N@H+](CC(=O)Nc1cccc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000879125666 597826812 /nfs/dbraw/zinc/82/68/12/597826812.db2.gz FZGUBQYHVQMRBG-UHFFFAOYSA-N 2 1 344.459 1.787 20 30 EDEDMP C[NH+]1CCC[C@H]2[C@H]1CCN2CC#CCN1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880136989 597852841 /nfs/dbraw/zinc/85/28/41/597852841.db2.gz VWBIVQWXURYIML-JVSBHGNQSA-N 2 1 330.520 1.327 20 30 EDEDMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2CC#CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136989 597852843 /nfs/dbraw/zinc/85/28/43/597852843.db2.gz VWBIVQWXURYIML-JVSBHGNQSA-N 2 1 330.520 1.327 20 30 EDEDMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2CC#CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880136989 597852845 /nfs/dbraw/zinc/85/28/45/597852845.db2.gz VWBIVQWXURYIML-JVSBHGNQSA-N 2 1 330.520 1.327 20 30 EDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000884160183 598011425 /nfs/dbraw/zinc/01/14/25/598011425.db2.gz WUMYSMXNVOOJPB-QZTJIDSGSA-N 2 1 346.450 1.825 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000884160183 598011428 /nfs/dbraw/zinc/01/14/28/598011428.db2.gz WUMYSMXNVOOJPB-QZTJIDSGSA-N 2 1 346.450 1.825 20 30 EDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1)C2 ZINC000884278206 598052668 /nfs/dbraw/zinc/05/26/68/598052668.db2.gz GAWVICCOCUTCFE-QZDWLRDRSA-N 2 1 342.418 1.438 20 30 EDEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941533458 701573276 /nfs/dbraw/zinc/57/32/76/701573276.db2.gz COKSBUJLVLLKCD-ROUUACIJSA-N 2 1 348.535 1.511 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000941675134 701615015 /nfs/dbraw/zinc/61/50/15/701615015.db2.gz UZHIFCDGJVECEC-GOSISDBHSA-N 2 1 334.508 1.265 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941675134 701615016 /nfs/dbraw/zinc/61/50/16/701615016.db2.gz UZHIFCDGJVECEC-GOSISDBHSA-N 2 1 334.508 1.265 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032951 701075207 /nfs/dbraw/zinc/07/52/07/701075207.db2.gz KDSYUNYXEBFBOB-AEFFLSMTSA-N 2 1 342.487 1.994 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032951 701075209 /nfs/dbraw/zinc/07/52/09/701075209.db2.gz KDSYUNYXEBFBOB-AEFFLSMTSA-N 2 1 342.487 1.994 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(Cc2ccc(C#N)s2)C1 ZINC001031978036 701984132 /nfs/dbraw/zinc/98/41/32/701984132.db2.gz MRTKVVXDURMLRW-WBMJQRKESA-N 2 1 332.473 1.365 20 30 EDEDMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031978036 701984135 /nfs/dbraw/zinc/98/41/35/701984135.db2.gz MRTKVVXDURMLRW-WBMJQRKESA-N 2 1 332.473 1.365 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031978036 701984137 /nfs/dbraw/zinc/98/41/37/701984137.db2.gz MRTKVVXDURMLRW-WBMJQRKESA-N 2 1 332.473 1.365 20 30 EDEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1(C)C ZINC000996464122 702791605 /nfs/dbraw/zinc/79/16/05/702791605.db2.gz WAZDISTXXZJUEG-MRXNPFEDSA-N 2 1 325.416 1.894 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3F)CC2)C1 ZINC000997299996 703543724 /nfs/dbraw/zinc/54/37/24/703543724.db2.gz SXPASANLPOTTAF-MRXNPFEDSA-N 2 1 344.434 1.730 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC000997296913 703555759 /nfs/dbraw/zinc/55/57/59/703555759.db2.gz CGAIAWBAOAQEQD-KRWDZBQOSA-N 2 1 326.444 1.591 20 30 EDEDMP C=C(Br)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000997307011 703565439 /nfs/dbraw/zinc/56/54/39/703565439.db2.gz KWXCXRPMZNIPQY-UHFFFAOYSA-N 2 1 341.253 1.681 20 30 EDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529796 704032777 /nfs/dbraw/zinc/03/27/77/704032777.db2.gz XGOFNZJVFAJTHZ-MYTOGIIISA-N 2 1 331.460 1.101 20 30 EDEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032529796 704032781 /nfs/dbraw/zinc/03/27/81/704032781.db2.gz XGOFNZJVFAJTHZ-MYTOGIIISA-N 2 1 331.460 1.101 20 30 EDEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032529796 704032785 /nfs/dbraw/zinc/03/27/85/704032785.db2.gz XGOFNZJVFAJTHZ-MYTOGIIISA-N 2 1 331.460 1.101 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000997832888 704752527 /nfs/dbraw/zinc/75/25/27/704752527.db2.gz ZDXHBHNCHIAGKF-IBGZPJMESA-N 2 1 340.471 1.507 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000997832888 704752529 /nfs/dbraw/zinc/75/25/29/704752529.db2.gz ZDXHBHNCHIAGKF-IBGZPJMESA-N 2 1 340.471 1.507 20 30 EDEDMP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998104101 705348856 /nfs/dbraw/zinc/34/88/56/705348856.db2.gz SXCVGXPVZNYQIW-OALUTQOASA-N 2 1 349.519 1.822 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998104101 705348858 /nfs/dbraw/zinc/34/88/58/705348858.db2.gz SXCVGXPVZNYQIW-OALUTQOASA-N 2 1 349.519 1.822 20 30 EDEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000998104101 705348860 /nfs/dbraw/zinc/34/88/60/705348860.db2.gz SXCVGXPVZNYQIW-OALUTQOASA-N 2 1 349.519 1.822 20 30 EDEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000998104101 705348862 /nfs/dbraw/zinc/34/88/62/705348862.db2.gz SXCVGXPVZNYQIW-OALUTQOASA-N 2 1 349.519 1.822 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C(F)(F)F ZINC000998280268 705676223 /nfs/dbraw/zinc/67/62/23/705676223.db2.gz KXVBIHOGPKBATR-STQMWFEESA-N 2 1 328.338 1.194 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC000998721650 706153264 /nfs/dbraw/zinc/15/32/64/706153264.db2.gz NFPLDCVWZRSYTI-AEFFLSMTSA-N 2 1 344.434 1.872 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999964191 707630160 /nfs/dbraw/zinc/63/01/60/707630160.db2.gz VXIYXAFDCZJNRE-SJORKVTESA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999964191 707630161 /nfs/dbraw/zinc/63/01/61/707630161.db2.gz VXIYXAFDCZJNRE-SJORKVTESA-N 2 1 346.479 1.202 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999964191 707630162 /nfs/dbraw/zinc/63/01/62/707630162.db2.gz VXIYXAFDCZJNRE-SJORKVTESA-N 2 1 346.479 1.202 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H]2CCCOC2)CC1 ZINC001032801583 708083043 /nfs/dbraw/zinc/08/30/43/708083043.db2.gz FKKNICSHMWPDHZ-NEWSRXKRSA-N 2 1 345.487 1.043 20 30 EDEDMP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001033656716 708426765 /nfs/dbraw/zinc/42/67/65/708426765.db2.gz DFNUQGWXADQEBU-GOSISDBHSA-N 2 1 326.444 1.687 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CN2CCc3sccc3C2)C1 ZINC001033685201 708498790 /nfs/dbraw/zinc/49/87/90/708498790.db2.gz PBKMAINUKURSBC-MRXNPFEDSA-N 2 1 331.485 1.662 20 30 EDEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319533 709768992 /nfs/dbraw/zinc/76/89/92/709768992.db2.gz IKHLOMXNQIQJAQ-VIHIWDAPSA-N 2 1 333.476 1.396 20 30 EDEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034319533 709768994 /nfs/dbraw/zinc/76/89/94/709768994.db2.gz IKHLOMXNQIQJAQ-VIHIWDAPSA-N 2 1 333.476 1.396 20 30 EDEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034319533 709768997 /nfs/dbraw/zinc/76/89/97/709768997.db2.gz IKHLOMXNQIQJAQ-VIHIWDAPSA-N 2 1 333.476 1.396 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001032837120 710187204 /nfs/dbraw/zinc/18/72/04/710187204.db2.gz BPDUBVNSUIUOAY-KURKYZTESA-N 2 1 333.476 1.234 20 30 EDEDMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003635263 710462423 /nfs/dbraw/zinc/46/24/23/710462423.db2.gz NRXXIZCSLRSWTB-GUYCJALGSA-N 2 1 346.500 1.898 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001003635263 710462425 /nfs/dbraw/zinc/46/24/25/710462425.db2.gz NRXXIZCSLRSWTB-GUYCJALGSA-N 2 1 346.500 1.898 20 30 EDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033143555 711953170 /nfs/dbraw/zinc/95/31/70/711953170.db2.gz HVPATKRQSYFTFE-MSOLQXFVSA-N 2 1 333.476 1.186 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033143555 711953172 /nfs/dbraw/zinc/95/31/72/711953172.db2.gz HVPATKRQSYFTFE-MSOLQXFVSA-N 2 1 333.476 1.186 20 30 EDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033143555 711953174 /nfs/dbraw/zinc/95/31/74/711953174.db2.gz HVPATKRQSYFTFE-MSOLQXFVSA-N 2 1 333.476 1.186 20 30 EDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033143555 711953178 /nfs/dbraw/zinc/95/31/78/711953178.db2.gz HVPATKRQSYFTFE-MSOLQXFVSA-N 2 1 333.476 1.186 20 30 EDEDMP CC(C)[NH+]1CCC(NC(=O)CN2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000329916745 539476073 /nfs/dbraw/zinc/47/60/73/539476073.db2.gz QLFVWEALAVTNMC-UHFFFAOYSA-N 2 1 348.495 1.371 20 30 EDEDMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2 ZINC000114751241 138310366 /nfs/dbraw/zinc/31/03/66/138310366.db2.gz POOGAQCCHNYHLZ-RDJZCZTQSA-N 2 1 335.411 1.773 20 30 EDEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246158545 139097249 /nfs/dbraw/zinc/09/72/49/139097249.db2.gz HJGSLUVWVMFBDV-ROUUACIJSA-N 2 1 329.444 1.716 20 30 EDEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246158545 139097250 /nfs/dbraw/zinc/09/72/50/139097250.db2.gz HJGSLUVWVMFBDV-ROUUACIJSA-N 2 1 329.444 1.716 20 30 EDEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1cccc(F)c1 ZINC000267385071 249360063 /nfs/dbraw/zinc/36/00/63/249360063.db2.gz BHXSONUSACAQJE-AWEZNQCLSA-N 2 1 338.427 1.220 20 30 EDEDMP C#CCOCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371056273 250211305 /nfs/dbraw/zinc/21/13/05/250211305.db2.gz VFCWGKDTZKPYGY-UHFFFAOYSA-N 2 1 349.519 1.681 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000418405377 251365556 /nfs/dbraw/zinc/36/55/56/251365556.db2.gz RAYBOGFLFMNAQS-GOSISDBHSA-N 2 1 341.459 1.513 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OCC[NH+](C)C ZINC000264079869 285253789 /nfs/dbraw/zinc/25/37/89/285253789.db2.gz GYRDWJVHUFHICW-QGZVFWFLSA-N 3 1 347.507 1.516 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@H+](C)[C@H]2CCc3ccccc3C2)CC1 ZINC000490759320 255105164 /nfs/dbraw/zinc/10/51/64/255105164.db2.gz CHSNPCWVCJFNJG-IBGZPJMESA-N 2 1 325.456 1.253 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2cnccc2C)CC1 ZINC000491699628 255142795 /nfs/dbraw/zinc/14/27/95/255142795.db2.gz CBDDYOSUUGPGDN-UHFFFAOYSA-N 2 1 329.448 1.177 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(C#N)cc1 ZINC000194873581 442963920 /nfs/dbraw/zinc/96/39/20/442963920.db2.gz DYXBTGCUXUQACD-LJQANCHMSA-N 2 1 342.487 1.975 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(C)OCCc2sccc21 ZINC000262349568 443191324 /nfs/dbraw/zinc/19/13/24/443191324.db2.gz YPGZDHHWOQSSLM-SUMWQHHRSA-N 2 1 336.505 1.925 20 30 EDEDMP C[NH+]=C(NCc1sc(C)nc1C)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262775277 443211606 /nfs/dbraw/zinc/21/16/06/443211606.db2.gz JTXHWMRCPZVGAG-HNNXBMFYSA-N 2 1 341.550 1.862 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccc(F)c1)N(C)C ZINC000264137731 443252986 /nfs/dbraw/zinc/25/29/86/443252986.db2.gz VTCWJVMKIZQWRM-SJORKVTESA-N 2 1 335.471 1.817 20 30 EDEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNCc1ccc(C#N)cc1F ZINC000269409972 443306235 /nfs/dbraw/zinc/30/62/35/443306235.db2.gz IWIQRGGGEFLNOA-KRWDZBQOSA-N 2 1 332.423 1.730 20 30 EDEDMP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000269409972 443306237 /nfs/dbraw/zinc/30/62/37/443306237.db2.gz IWIQRGGGEFLNOA-KRWDZBQOSA-N 2 1 332.423 1.730 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncnn1-c1ccccc1 ZINC000278639506 443387310 /nfs/dbraw/zinc/38/73/10/443387310.db2.gz ZAOZWAWJJQYZFW-OAHLLOKOSA-N 2 1 327.436 1.156 20 30 EDEDMP C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280555438 443736476 /nfs/dbraw/zinc/73/64/76/443736476.db2.gz UPJDXGRVGCEHHT-YTQUADARSA-N 2 1 340.471 1.811 20 30 EDEDMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])N[C@H](C)COC)[C@@H]1c1ccccc1 ZINC000284976030 443805042 /nfs/dbraw/zinc/80/50/42/443805042.db2.gz GLAGSPCRCYWUFY-PVAVHDDUSA-N 2 1 334.464 1.388 20 30 EDEDMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])N[C@H](C)COC)[C@@H]1c1ccccc1 ZINC000284976030 443805045 /nfs/dbraw/zinc/80/50/45/443805045.db2.gz GLAGSPCRCYWUFY-PVAVHDDUSA-N 2 1 334.464 1.388 20 30 EDEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000289436458 444143128 /nfs/dbraw/zinc/14/31/28/444143128.db2.gz WDHQXKDDGVFMDJ-HUUCEWRRSA-N 2 1 345.447 1.361 20 30 EDEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000289436458 444143134 /nfs/dbraw/zinc/14/31/34/444143134.db2.gz WDHQXKDDGVFMDJ-HUUCEWRRSA-N 2 1 345.447 1.361 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000296132289 444207307 /nfs/dbraw/zinc/20/73/07/444207307.db2.gz CDDQHVYVQOXUGX-UHFFFAOYSA-N 2 1 343.475 1.300 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000297058108 444271091 /nfs/dbraw/zinc/27/10/91/444271091.db2.gz XUJMZPVKNDXSBM-UHFFFAOYSA-N 2 1 344.459 1.898 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000297058108 444271093 /nfs/dbraw/zinc/27/10/93/444271093.db2.gz XUJMZPVKNDXSBM-UHFFFAOYSA-N 2 1 344.459 1.898 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000297226893 444278148 /nfs/dbraw/zinc/27/81/48/444278148.db2.gz FNPDSXVUJZXAKE-KRWDZBQOSA-N 2 1 334.439 1.683 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000328228880 444385815 /nfs/dbraw/zinc/38/58/15/444385815.db2.gz CFFBARNYQIBWSD-OAHLLOKOSA-N 2 1 337.489 1.543 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000328228880 444385816 /nfs/dbraw/zinc/38/58/16/444385816.db2.gz CFFBARNYQIBWSD-OAHLLOKOSA-N 2 1 337.489 1.543 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367619827 446567858 /nfs/dbraw/zinc/56/78/58/446567858.db2.gz WQBOUBHUQOCMHS-MJGOQNOKSA-N 2 1 348.535 1.676 20 30 EDEDMP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C1=CC[N@@H+](C)CC1 ZINC000570274287 447973681 /nfs/dbraw/zinc/97/36/81/447973681.db2.gz IXPWIEONFPLHRP-CRAIPNDOSA-N 2 1 329.444 1.732 20 30 EDEDMP CN(Cc1ccc(C#N)cc1)CN1C[C@]2(CN3CCC2CC3)OC1=O ZINC000496963055 448076386 /nfs/dbraw/zinc/07/63/86/448076386.db2.gz NXDDMEDKAVDMEU-IBGZPJMESA-N 2 1 340.427 1.864 20 30 EDEDMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000572028566 448266752 /nfs/dbraw/zinc/26/67/52/448266752.db2.gz CMGCQXSJXZYXST-MSOLQXFVSA-N 2 1 331.460 1.814 20 30 EDEDMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600717349 449514203 /nfs/dbraw/zinc/51/42/03/449514203.db2.gz KJXITHGEMMMSRS-LJQANCHMSA-N 2 1 342.487 1.578 20 30 EDEDMP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1([NH+]2CCOCC2)CCCC1 ZINC000594439107 449517493 /nfs/dbraw/zinc/51/74/93/449517493.db2.gz NZHCDGKSBZZGLT-HOTGVXAUSA-N 2 1 336.480 1.547 20 30 EDEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000602545845 449665680 /nfs/dbraw/zinc/66/56/80/449665680.db2.gz QLCUCMPWWHADDV-KRWDZBQOSA-N 2 1 336.524 1.949 20 30 EDEDMP C=CC[C@]1(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCC[NH2+]1 ZINC000662670826 453384476 /nfs/dbraw/zinc/38/44/76/453384476.db2.gz JTZPNZGFGMDUCQ-HXUWFJFHSA-N 2 1 343.471 1.833 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCc2ccccc2C1 ZINC000104167235 529071474 /nfs/dbraw/zinc/07/14/74/529071474.db2.gz HYMHTNKOZQEZNY-GOSISDBHSA-N 2 1 329.492 1.433 20 30 EDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCc2ccccc2C1 ZINC000104167235 529071477 /nfs/dbraw/zinc/07/14/77/529071477.db2.gz HYMHTNKOZQEZNY-GOSISDBHSA-N 3 1 329.492 1.433 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCc2ccccc2C1 ZINC000104167235 529071481 /nfs/dbraw/zinc/07/14/81/529071481.db2.gz HYMHTNKOZQEZNY-GOSISDBHSA-N 3 1 329.492 1.433 20 30 EDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC[N@@H+]1CCc2ccccc2C1 ZINC000104167235 529071482 /nfs/dbraw/zinc/07/14/82/529071482.db2.gz HYMHTNKOZQEZNY-GOSISDBHSA-N 3 1 329.492 1.433 20 30 EDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC[N@H+]1CCc2ccccc2C1 ZINC000104167235 529071486 /nfs/dbraw/zinc/07/14/86/529071486.db2.gz HYMHTNKOZQEZNY-GOSISDBHSA-N 3 1 329.492 1.433 20 30 EDEDMP C[NH+]1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)c(C#N)cc1[N+](=O)[O-] ZINC000895768268 591269025 /nfs/dbraw/zinc/26/90/25/591269025.db2.gz BDXPCJARVPCWEB-KBPBESRZSA-N 2 1 344.419 1.698 20 30 EDEDMP C[NH+]1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])cc1C#N ZINC000895768268 591269026 /nfs/dbraw/zinc/26/90/26/591269026.db2.gz BDXPCJARVPCWEB-KBPBESRZSA-N 2 1 344.419 1.698 20 30 EDEDMP C[NH+]1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])cc1C#N ZINC000895768268 591269028 /nfs/dbraw/zinc/26/90/28/591269028.db2.gz BDXPCJARVPCWEB-KBPBESRZSA-N 2 1 344.419 1.698 20 30 EDEDMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819063203 593736841 /nfs/dbraw/zinc/73/68/41/593736841.db2.gz XLABOLOZCOFCHQ-IBGZPJMESA-N 2 1 330.476 1.599 20 30 EDEDMP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000852863535 595583995 /nfs/dbraw/zinc/58/39/95/595583995.db2.gz PQFPFXLYVOBKNQ-MRXNPFEDSA-N 2 1 325.456 1.552 20 30 EDEDMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852907085 595609284 /nfs/dbraw/zinc/60/92/84/595609284.db2.gz CRGOTIMDSRTZFZ-FQEVSTJZSA-N 2 1 339.483 1.765 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214677 596006848 /nfs/dbraw/zinc/00/68/48/596006848.db2.gz REUACFGMMOZGNO-AWEZNQCLSA-N 2 1 332.448 1.580 20 30 EDEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856592262 596026328 /nfs/dbraw/zinc/02/63/28/596026328.db2.gz IBWOMIWKTQKCEI-YJBOKZPZSA-N 2 1 344.459 1.124 20 30 EDEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856592262 596026330 /nfs/dbraw/zinc/02/63/30/596026330.db2.gz IBWOMIWKTQKCEI-YJBOKZPZSA-N 2 1 344.459 1.124 20 30 EDEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592262 596026334 /nfs/dbraw/zinc/02/63/34/596026334.db2.gz IBWOMIWKTQKCEI-YJBOKZPZSA-N 2 1 344.459 1.124 20 30 EDEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592262 596026337 /nfs/dbraw/zinc/02/63/37/596026337.db2.gz IBWOMIWKTQKCEI-YJBOKZPZSA-N 2 1 344.459 1.124 20 30 EDEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872255123 596855940 /nfs/dbraw/zinc/85/59/40/596855940.db2.gz PWAJJWFQJHJUFA-NXHRZFHOSA-N 2 1 343.427 1.618 20 30 EDEDMP C[C@@H]1C[C@H](O)C[NH+]1Cc1cc(C#N)cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000878318972 597594953 /nfs/dbraw/zinc/59/49/53/597594953.db2.gz FYWLAPAREOVHQD-BZUPMSHVSA-N 2 1 329.444 1.468 20 30 EDEDMP C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(C#N)cc(C[NH+]2C[C@H](O)C[C@@H]2C)c1 ZINC000878318972 597594954 /nfs/dbraw/zinc/59/49/54/597594954.db2.gz FYWLAPAREOVHQD-BZUPMSHVSA-N 2 1 329.444 1.468 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2cnc3c2CCCC3)[C@@H]1C ZINC000993622267 696265725 /nfs/dbraw/zinc/26/57/25/696265725.db2.gz OGMWPXSJFNNUNP-HOTGVXAUSA-N 2 1 328.460 1.754 20 30 EDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000993622267 696265727 /nfs/dbraw/zinc/26/57/27/696265727.db2.gz OGMWPXSJFNNUNP-HOTGVXAUSA-N 2 1 328.460 1.754 20 30 EDEDMP C#CCN(C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC[NH+](C)CC1 ZINC000920659411 697463085 /nfs/dbraw/zinc/46/30/85/697463085.db2.gz LYHKKOZBIMRQNG-ZNXRZULTSA-N 2 1 332.492 1.741 20 30 EDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001031713641 697735720 /nfs/dbraw/zinc/73/57/20/697735720.db2.gz DBKRNARELVKBBD-LJQANCHMSA-N 2 1 340.471 1.981 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3coc(C)n3)C2)CC1 ZINC000939808776 699957439 /nfs/dbraw/zinc/95/74/39/699957439.db2.gz GSHCGJOXWSZULH-KDOFPFPSSA-N 2 1 344.459 1.265 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnc(C)o2)CC1 ZINC000940158173 700289781 /nfs/dbraw/zinc/28/97/81/700289781.db2.gz STOFZUWUWPGWJX-KRWDZBQOSA-N 2 1 344.459 1.551 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnc(C)o2)CC1 ZINC000940158173 700289786 /nfs/dbraw/zinc/28/97/86/700289786.db2.gz STOFZUWUWPGWJX-KRWDZBQOSA-N 2 1 344.459 1.551 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940987347 701041267 /nfs/dbraw/zinc/04/12/67/701041267.db2.gz NNYHKSIWYVQQDF-WMZOPIPTSA-N 2 1 342.487 1.994 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940987347 701041269 /nfs/dbraw/zinc/04/12/69/701041269.db2.gz NNYHKSIWYVQQDF-WMZOPIPTSA-N 2 1 342.487 1.994 20 30 EDEDMP C=CCCN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996803154 703093337 /nfs/dbraw/zinc/09/33/37/703093337.db2.gz PUQOWNIGVCIGDZ-VIQWUECVSA-N 2 1 348.535 1.559 20 30 EDEDMP C=CCC[NH+]1CCN(C2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000996803154 703093338 /nfs/dbraw/zinc/09/33/38/703093338.db2.gz PUQOWNIGVCIGDZ-VIQWUECVSA-N 2 1 348.535 1.559 20 30 EDEDMP C=CCC[NH+]1CCN(C2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996803154 703093340 /nfs/dbraw/zinc/09/33/40/703093340.db2.gz PUQOWNIGVCIGDZ-VIQWUECVSA-N 2 1 348.535 1.559 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)COC)CC1 ZINC000997624194 703921039 /nfs/dbraw/zinc/92/10/39/703921039.db2.gz NMYJWGRSLLAZJS-BQFCYCMXSA-N 2 1 335.492 1.336 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)COC)CC1 ZINC000997624194 703921040 /nfs/dbraw/zinc/92/10/40/703921040.db2.gz NMYJWGRSLLAZJS-BQFCYCMXSA-N 2 1 335.492 1.336 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC000995551004 703955599 /nfs/dbraw/zinc/95/55/99/703955599.db2.gz LLAULSZCKVPWRQ-ZWKOTPCHSA-N 2 1 340.471 1.979 20 30 EDEDMP CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998104106 705348789 /nfs/dbraw/zinc/34/87/89/705348789.db2.gz SXCVGXPVZNYQIW-RBUKOAKNSA-N 2 1 349.519 1.822 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000998104106 705348792 /nfs/dbraw/zinc/34/87/92/705348792.db2.gz SXCVGXPVZNYQIW-RBUKOAKNSA-N 2 1 349.519 1.822 20 30 EDEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000998104106 705348795 /nfs/dbraw/zinc/34/87/95/705348795.db2.gz SXCVGXPVZNYQIW-RBUKOAKNSA-N 2 1 349.519 1.822 20 30 EDEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000998104106 705348798 /nfs/dbraw/zinc/34/87/98/705348798.db2.gz SXCVGXPVZNYQIW-RBUKOAKNSA-N 2 1 349.519 1.822 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000921660792 705884123 /nfs/dbraw/zinc/88/41/23/705884123.db2.gz CZXHXNKEWFMRLO-GOSISDBHSA-N 2 1 326.444 1.570 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000921660792 705884127 /nfs/dbraw/zinc/88/41/27/705884127.db2.gz CZXHXNKEWFMRLO-GOSISDBHSA-N 2 1 326.444 1.570 20 30 EDEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)nn2)C1 ZINC000999989936 707665274 /nfs/dbraw/zinc/66/52/74/707665274.db2.gz IHNBZQQLHBODMS-DLBZAZTESA-N 2 1 346.479 1.200 20 30 EDEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999989936 707665279 /nfs/dbraw/zinc/66/52/79/707665279.db2.gz IHNBZQQLHBODMS-DLBZAZTESA-N 2 1 346.479 1.200 20 30 EDEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999989936 707665282 /nfs/dbraw/zinc/66/52/82/707665282.db2.gz IHNBZQQLHBODMS-DLBZAZTESA-N 2 1 346.479 1.200 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](CC)OC)CC1 ZINC001032800649 708083355 /nfs/dbraw/zinc/08/33/55/708083355.db2.gz RQQYAZCFYCRSRL-OKZBNKHCSA-N 2 1 333.476 1.042 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C[C@H]3CCCCO3)C2)CC1 ZINC001033684364 708497284 /nfs/dbraw/zinc/49/72/84/708497284.db2.gz NOXRDKGVOZPVDZ-RTBURBONSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC[C@H]3CCOC3)C2)CC1 ZINC001033685475 708499348 /nfs/dbraw/zinc/49/93/48/708499348.db2.gz UCVWOZFQHYYVBR-HKUYNNGSSA-N 2 1 347.503 1.291 20 30 EDEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033953377 709134520 /nfs/dbraw/zinc/13/45/20/709134520.db2.gz LFGFJMUEQNKTQX-MRXNPFEDSA-N 2 1 344.459 1.830 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033953377 709134522 /nfs/dbraw/zinc/13/45/22/709134522.db2.gz LFGFJMUEQNKTQX-MRXNPFEDSA-N 2 1 344.459 1.830 20 30 EDEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001002874290 709479997 /nfs/dbraw/zinc/47/99/97/709479997.db2.gz HUVGXOVOXTZZAG-GJZGRUSLSA-N 2 1 327.856 1.183 20 30 EDEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001002874290 709479999 /nfs/dbraw/zinc/47/99/99/709479999.db2.gz HUVGXOVOXTZZAG-GJZGRUSLSA-N 2 1 327.856 1.183 20 30 EDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034242289 709629042 /nfs/dbraw/zinc/62/90/42/709629042.db2.gz WFYRRYCQCYTJCI-SJLPKXTDSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034242289 709629044 /nfs/dbraw/zinc/62/90/44/709629044.db2.gz WFYRRYCQCYTJCI-SJLPKXTDSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034242289 709629045 /nfs/dbraw/zinc/62/90/45/709629045.db2.gz WFYRRYCQCYTJCI-SJLPKXTDSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034242289 709629046 /nfs/dbraw/zinc/62/90/46/709629046.db2.gz WFYRRYCQCYTJCI-SJLPKXTDSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001034741415 710938258 /nfs/dbraw/zinc/93/82/58/710938258.db2.gz IIXRKTDHEVPVED-WTGUMLROSA-N 2 1 339.483 1.982 20 30 EDEDMP O=C(NC1CC[NH+](CC#Cc2ccccc2)CC1)C12CC[NH+](CC1)C2 ZINC001003981013 711163552 /nfs/dbraw/zinc/16/35/52/711163552.db2.gz XQFHECCSFNEQQJ-UHFFFAOYSA-N 2 1 337.467 1.715 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001034881036 711280864 /nfs/dbraw/zinc/28/08/64/711280864.db2.gz CRQIXROYTJPVEP-QZTJIDSGSA-N 2 1 344.434 1.872 20 30 EDEDMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C1 ZINC001004141115 711540697 /nfs/dbraw/zinc/54/06/97/711540697.db2.gz CJLZIPKJNSXGKP-KRWDZBQOSA-N 2 1 343.446 1.710 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C1 ZINC001004141115 711540700 /nfs/dbraw/zinc/54/07/00/711540700.db2.gz CJLZIPKJNSXGKP-KRWDZBQOSA-N 2 1 343.446 1.710 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc2ccccc21 ZINC000264091560 249334346 /nfs/dbraw/zinc/33/43/46/249334346.db2.gz LAQZLMMFAGZGHW-UHFFFAOYSA-N 2 1 326.444 1.966 20 30 EDEDMP COc1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)ccc1C#N ZINC000353670273 149484506 /nfs/dbraw/zinc/48/45/06/149484506.db2.gz KUIVBVBLSRUSFC-UHFFFAOYSA-N 2 1 344.459 1.649 20 30 EDEDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000367172762 154028657 /nfs/dbraw/zinc/02/86/57/154028657.db2.gz ZMVWCCKMMOVWDJ-SFHVURJKSA-N 2 1 342.487 1.896 20 30 EDEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000180947421 442670900 /nfs/dbraw/zinc/67/09/00/442670900.db2.gz KIJXTBYLZFPRJK-UHFFFAOYSA-N 2 1 343.475 1.455 20 30 EDEDMP CN(CCN(C)C1CC[NH+](C)CC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000180947421 442670903 /nfs/dbraw/zinc/67/09/03/442670903.db2.gz KIJXTBYLZFPRJK-UHFFFAOYSA-N 2 1 343.475 1.455 20 30 EDEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268672862 443072096 /nfs/dbraw/zinc/07/20/96/443072096.db2.gz KNKAFMFKCBZDAN-PMACEKPBSA-N 2 1 342.487 1.694 20 30 EDEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268672862 443072099 /nfs/dbraw/zinc/07/20/99/443072099.db2.gz KNKAFMFKCBZDAN-PMACEKPBSA-N 2 1 342.487 1.694 20 30 EDEDMP C[NH+]=C(NCc1cnc(C)s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261853198 443171928 /nfs/dbraw/zinc/17/19/28/443171928.db2.gz XOSJTYYCJIRKRM-AWEZNQCLSA-N 2 1 337.493 1.181 20 30 EDEDMP COc1ccc(CCNC(=[NH2+])NCC2=CC[N@@H+](C)CC2)cc1OC ZINC000271863608 443515832 /nfs/dbraw/zinc/51/58/32/443515832.db2.gz ZSGIDDFTQZJOPK-UHFFFAOYSA-N 2 1 332.448 1.413 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)nc(N2CCCC2)c1 ZINC000290746247 444318453 /nfs/dbraw/zinc/31/84/53/444318453.db2.gz XRZPWQJNHNVSET-QGZVFWFLSA-N 2 1 344.507 1.879 20 30 EDEDMP C=CCN(C(=O)[C@@H]1CN(C)CCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000369938706 446169469 /nfs/dbraw/zinc/16/94/69/446169469.db2.gz ZQGCOPUQMZOLGN-MOPGFXCFSA-N 2 1 343.471 1.606 20 30 EDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421009848 446984147 /nfs/dbraw/zinc/98/41/47/446984147.db2.gz NWSCGENRUADWAR-UHFFFAOYSA-N 2 1 348.535 1.679 20 30 EDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000451601198 447741010 /nfs/dbraw/zinc/74/10/10/447741010.db2.gz UKHTZVSACFMBPC-UHOSZYNNSA-N 2 1 343.471 1.825 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000491696591 448081949 /nfs/dbraw/zinc/08/19/49/448081949.db2.gz OTPRWTMZQDYCHY-UHFFFAOYSA-N 2 1 328.460 1.469 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000491696591 448081951 /nfs/dbraw/zinc/08/19/51/448081951.db2.gz OTPRWTMZQDYCHY-UHFFFAOYSA-N 2 1 328.460 1.469 20 30 EDEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000532352309 448243335 /nfs/dbraw/zinc/24/33/35/448243335.db2.gz CGMSCCXBEGFTAE-UHFFFAOYSA-N 2 1 333.480 1.695 20 30 EDEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)CN(C)CCC#N)cc1F ZINC000572343610 448350586 /nfs/dbraw/zinc/35/05/86/448350586.db2.gz VSXBOQLAMQQOCF-MRXNPFEDSA-N 2 1 345.422 1.616 20 30 EDEDMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594443338 449521435 /nfs/dbraw/zinc/52/14/35/449521435.db2.gz DGHHWTQXILXVRO-JKSUJKDBSA-N 2 1 330.432 1.579 20 30 EDEDMP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847127 449853804 /nfs/dbraw/zinc/85/38/04/449853804.db2.gz SUQDHUCZQYJZQE-MRXNPFEDSA-N 2 1 329.448 1.602 20 30 EDEDMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000602890280 449897619 /nfs/dbraw/zinc/89/76/19/449897619.db2.gz GEGXHIZVCUCWLR-GOSISDBHSA-N 2 1 330.432 1.275 20 30 EDEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000602890280 449897621 /nfs/dbraw/zinc/89/76/21/449897621.db2.gz GEGXHIZVCUCWLR-GOSISDBHSA-N 2 1 330.432 1.275 20 30 EDEDMP N#Cc1ccc(F)cc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603218072 450151185 /nfs/dbraw/zinc/15/11/85/450151185.db2.gz OHSZYVSCOLKHSV-UHFFFAOYSA-N 2 1 328.395 1.303 20 30 EDEDMP C=CC[C@]1(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662756500 453493594 /nfs/dbraw/zinc/49/35/94/453493594.db2.gz HPOIFXJNSOVCDR-HXUWFJFHSA-N 2 1 348.535 1.751 20 30 EDEDMP C#Cc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)nc1 ZINC000728864287 578553349 /nfs/dbraw/zinc/55/33/49/578553349.db2.gz GCIIWMMMERYXOR-KRWDZBQOSA-N 2 1 328.460 1.551 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000730276025 578638309 /nfs/dbraw/zinc/63/83/09/578638309.db2.gz FAUJMEOMALDCMK-IBGZPJMESA-N 2 1 325.456 1.996 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000730276025 578638310 /nfs/dbraw/zinc/63/83/10/578638310.db2.gz FAUJMEOMALDCMK-IBGZPJMESA-N 2 1 325.456 1.996 20 30 EDEDMP C[C@@H](C#N)OCC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000801932880 581088558 /nfs/dbraw/zinc/08/85/58/581088558.db2.gz AKZMQCUBPMAJAZ-KRWDZBQOSA-N 2 1 346.475 1.678 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000900348047 591991982 /nfs/dbraw/zinc/99/19/82/591991982.db2.gz MCGJBIIXUNZSQZ-UHFFFAOYSA-N 2 1 344.459 1.521 20 30 EDEDMP N#CC1(CCCC[N@@H+]2CC[C@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)CCC1 ZINC000903778576 592318952 /nfs/dbraw/zinc/31/89/52/592318952.db2.gz OHCIZTYEHDROJY-HRCADAONSA-N 2 1 332.448 1.717 20 30 EDEDMP N#Cc1cc(F)ccc1N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903779240 592319563 /nfs/dbraw/zinc/31/95/63/592319563.db2.gz WYRKDILRAFAWTM-PKOBYXMFSA-N 2 1 344.434 1.588 20 30 EDEDMP CCOCCC[NH+]=C(NC[C@H]1CCC[N@H+]1CCOC)NC(C)(C)C ZINC000912498573 593100704 /nfs/dbraw/zinc/10/07/04/593100704.db2.gz BHXCFYYKXMTDJY-MRXNPFEDSA-N 2 1 342.528 1.858 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000847416195 595414405 /nfs/dbraw/zinc/41/44/05/595414405.db2.gz HWUUXJNLTHZLOF-IBGZPJMESA-N 2 1 325.456 1.676 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000847416195 595414406 /nfs/dbraw/zinc/41/44/06/595414406.db2.gz HWUUXJNLTHZLOF-IBGZPJMESA-N 2 1 325.456 1.676 20 30 EDEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852862647 595583313 /nfs/dbraw/zinc/58/33/13/595583313.db2.gz ICTHLHHCZCALFB-APWZRJJASA-N 2 1 325.456 1.941 20 30 EDEDMP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876723154 597307061 /nfs/dbraw/zinc/30/70/61/597307061.db2.gz OJZQEXBCQYTYIG-KBXCAEBGSA-N 2 1 326.444 1.736 20 30 EDEDMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876723154 597307066 /nfs/dbraw/zinc/30/70/66/597307066.db2.gz OJZQEXBCQYTYIG-KBXCAEBGSA-N 2 1 326.444 1.736 20 30 EDEDMP C#CC[N@H+](C)CCCNCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000883131014 597660773 /nfs/dbraw/zinc/66/07/73/597660773.db2.gz BCIQWLGDGIJGOM-UHFFFAOYSA-N 2 1 329.853 1.032 20 30 EDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000884077460 597987406 /nfs/dbraw/zinc/98/74/06/597987406.db2.gz MIGKJMAVPHYGFQ-SFHVURJKSA-N 2 1 334.508 1.895 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000884077460 597987409 /nfs/dbraw/zinc/98/74/09/597987409.db2.gz MIGKJMAVPHYGFQ-SFHVURJKSA-N 2 1 334.508 1.895 20 30 EDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000884327920 598069150 /nfs/dbraw/zinc/06/91/50/598069150.db2.gz FWSMJSMVDIWCNW-WSGFFYJVSA-N 2 1 342.487 1.601 20 30 EDEDMP C[C@@H]1[C@H](C(=O)NCC2CN(Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001031681444 697504819 /nfs/dbraw/zinc/50/48/19/697504819.db2.gz RXOKKJJOGPHFLA-RDTXWAMCSA-N 2 1 326.444 1.446 20 30 EDEDMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)CC[N@@H+]1C ZINC001031681444 697504821 /nfs/dbraw/zinc/50/48/21/697504821.db2.gz RXOKKJJOGPHFLA-RDTXWAMCSA-N 2 1 326.444 1.446 20 30 EDEDMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001031681444 697504823 /nfs/dbraw/zinc/50/48/23/697504823.db2.gz RXOKKJJOGPHFLA-RDTXWAMCSA-N 2 1 326.444 1.446 20 30 EDEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031711562 697719040 /nfs/dbraw/zinc/71/90/40/697719040.db2.gz IFRZFMLFENENJU-LJQANCHMSA-N 2 1 340.471 1.981 20 30 EDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031711562 697719042 /nfs/dbraw/zinc/71/90/42/697719042.db2.gz IFRZFMLFENENJU-LJQANCHMSA-N 2 1 340.471 1.981 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nocc2C)CC1 ZINC000940158310 700290699 /nfs/dbraw/zinc/29/06/99/700290699.db2.gz ZWKPHDCGVNKNPY-KRWDZBQOSA-N 2 1 344.459 1.551 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nocc2C)CC1 ZINC000940158310 700290702 /nfs/dbraw/zinc/29/07/02/700290702.db2.gz ZWKPHDCGVNKNPY-KRWDZBQOSA-N 2 1 344.459 1.551 20 30 EDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971763 701014053 /nfs/dbraw/zinc/01/40/53/701014053.db2.gz BZBWLSQTLROXML-IAGOWNOFSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971763 701014055 /nfs/dbraw/zinc/01/40/55/701014055.db2.gz BZBWLSQTLROXML-IAGOWNOFSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971763 701014057 /nfs/dbraw/zinc/01/40/57/701014057.db2.gz BZBWLSQTLROXML-IAGOWNOFSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940971763 701014059 /nfs/dbraw/zinc/01/40/59/701014059.db2.gz BZBWLSQTLROXML-IAGOWNOFSA-N 2 1 337.508 1.888 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccon3)C(C)(C)C2)CC1 ZINC000996671896 702972779 /nfs/dbraw/zinc/97/27/79/702972779.db2.gz PIAYWAWHBZZYJD-QGZVFWFLSA-N 2 1 344.459 1.346 20 30 EDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997299388 703556782 /nfs/dbraw/zinc/55/67/82/703556782.db2.gz ZHEDFBRXLVQIRZ-QAPCUYQASA-N 2 1 342.487 1.994 20 30 EDEDMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001015997958 703746096 /nfs/dbraw/zinc/74/60/96/703746096.db2.gz JRWJXXXLWVRXQR-CRAIPNDOSA-N 2 1 326.444 1.591 20 30 EDEDMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001015997958 703746097 /nfs/dbraw/zinc/74/60/97/703746097.db2.gz JRWJXXXLWVRXQR-CRAIPNDOSA-N 2 1 326.444 1.591 20 30 EDEDMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001015997958 703746098 /nfs/dbraw/zinc/74/60/98/703746098.db2.gz JRWJXXXLWVRXQR-CRAIPNDOSA-N 2 1 326.444 1.591 20 30 EDEDMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001015997958 703746099 /nfs/dbraw/zinc/74/60/99/703746099.db2.gz JRWJXXXLWVRXQR-CRAIPNDOSA-N 2 1 326.444 1.591 20 30 EDEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004381375 704347348 /nfs/dbraw/zinc/34/73/48/704347348.db2.gz RZDXLDWRAKJPDZ-MSOLQXFVSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004381375 704347351 /nfs/dbraw/zinc/34/73/51/704347351.db2.gz RZDXLDWRAKJPDZ-MSOLQXFVSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004381375 704347354 /nfs/dbraw/zinc/34/73/54/704347354.db2.gz RZDXLDWRAKJPDZ-MSOLQXFVSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004381375 704347357 /nfs/dbraw/zinc/34/73/57/704347357.db2.gz RZDXLDWRAKJPDZ-MSOLQXFVSA-N 2 1 333.476 1.043 20 30 EDEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC000997872199 704777870 /nfs/dbraw/zinc/77/78/70/704777870.db2.gz WECHTNKPULCSDE-GOEBONIOSA-N 2 1 343.899 1.676 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](C[C@H](C)O)CC2)CC1 ZINC000998201507 705512850 /nfs/dbraw/zinc/51/28/50/705512850.db2.gz ZCGZZSYFHDVACH-PKOBYXMFSA-N 2 1 349.519 1.415 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C(F)(F)F ZINC000998313811 705729438 /nfs/dbraw/zinc/72/94/38/705729438.db2.gz MUPYKIRASOOBHK-CABCVRRESA-N 2 1 345.409 1.721 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999128656 706530270 /nfs/dbraw/zinc/53/02/70/706530270.db2.gz YUYSSFUPCYWZNI-UHFFFAOYSA-N 2 1 337.427 1.842 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncc(C)c2)C1 ZINC000999393199 706887453 /nfs/dbraw/zinc/88/74/53/706887453.db2.gz WVKRDVWHOPHUIH-MOPGFXCFSA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncc(C)c2)C1 ZINC000999393199 706887456 /nfs/dbraw/zinc/88/74/56/706887456.db2.gz WVKRDVWHOPHUIH-MOPGFXCFSA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000999389699 706902296 /nfs/dbraw/zinc/90/22/96/706902296.db2.gz AKOZGBPGYOWXML-ROUUACIJSA-N 2 1 344.434 1.399 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000999389699 706902299 /nfs/dbraw/zinc/90/22/99/706902299.db2.gz AKOZGBPGYOWXML-ROUUACIJSA-N 2 1 344.434 1.399 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999390668 706903685 /nfs/dbraw/zinc/90/36/85/706903685.db2.gz GRQBENYNHNSSEP-MSOLQXFVSA-N 2 1 344.434 1.399 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999390668 706903688 /nfs/dbraw/zinc/90/36/88/706903688.db2.gz GRQBENYNHNSSEP-MSOLQXFVSA-N 2 1 344.434 1.399 20 30 EDEDMP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999832182 707462465 /nfs/dbraw/zinc/46/24/65/707462465.db2.gz PXEWQJRWVFMFQC-HIFPTAJRSA-N 2 1 330.270 1.426 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000999834932 707467800 /nfs/dbraw/zinc/46/78/00/707467800.db2.gz ALJJNRXDONPFGR-UHFFFAOYSA-N 2 1 343.456 1.904 20 30 EDEDMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001033583677 708307857 /nfs/dbraw/zinc/30/78/57/708307857.db2.gz XVDJQLHIXUTIJI-VQIMIIECSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001033583677 708307859 /nfs/dbraw/zinc/30/78/59/708307859.db2.gz XVDJQLHIXUTIJI-VQIMIIECSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033583677 708307861 /nfs/dbraw/zinc/30/78/61/708307861.db2.gz XVDJQLHIXUTIJI-VQIMIIECSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001033583677 708307863 /nfs/dbraw/zinc/30/78/63/708307863.db2.gz XVDJQLHIXUTIJI-VQIMIIECSA-N 2 1 340.471 1.933 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664002 708445421 /nfs/dbraw/zinc/44/54/21/708445421.db2.gz BGAMIDDGMRMRCR-NVXWUHKLSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664002 708445423 /nfs/dbraw/zinc/44/54/23/708445423.db2.gz BGAMIDDGMRMRCR-NVXWUHKLSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664002 708445425 /nfs/dbraw/zinc/44/54/25/708445425.db2.gz BGAMIDDGMRMRCR-NVXWUHKLSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC001033664002 708445427 /nfs/dbraw/zinc/44/54/27/708445427.db2.gz BGAMIDDGMRMRCR-NVXWUHKLSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001033664894 708446907 /nfs/dbraw/zinc/44/69/07/708446907.db2.gz JWUWJQMVUYNJJL-MOPGFXCFSA-N 2 1 325.456 1.523 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001033664894 708446908 /nfs/dbraw/zinc/44/69/08/708446908.db2.gz JWUWJQMVUYNJJL-MOPGFXCFSA-N 2 1 325.456 1.523 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033664894 708446909 /nfs/dbraw/zinc/44/69/09/708446909.db2.gz JWUWJQMVUYNJJL-MOPGFXCFSA-N 2 1 325.456 1.523 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001033664894 708446910 /nfs/dbraw/zinc/44/69/10/708446910.db2.gz JWUWJQMVUYNJJL-MOPGFXCFSA-N 2 1 325.456 1.523 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC001033684362 708496879 /nfs/dbraw/zinc/49/68/79/708496879.db2.gz NOXRDKGVOZPVDZ-OALUTQOASA-N 2 1 347.503 1.433 20 30 EDEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001034043491 709294699 /nfs/dbraw/zinc/29/46/99/709294699.db2.gz VSZXEVIEBVSKEQ-OALUTQOASA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001034043491 709294700 /nfs/dbraw/zinc/29/47/00/709294700.db2.gz VSZXEVIEBVSKEQ-OALUTQOASA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001034043491 709294703 /nfs/dbraw/zinc/29/47/03/709294703.db2.gz VSZXEVIEBVSKEQ-OALUTQOASA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC001034043491 709294706 /nfs/dbraw/zinc/29/47/06/709294706.db2.gz VSZXEVIEBVSKEQ-OALUTQOASA-N 2 1 340.471 1.933 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001034653755 710328856 /nfs/dbraw/zinc/32/88/56/710328856.db2.gz RILWIKMZRMGNFB-VGWMRTNUSA-N 2 1 341.883 1.619 20 30 EDEDMP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCN(CC#Cc2ccc(F)cc2)C1 ZINC001032968634 711043406 /nfs/dbraw/zinc/04/34/06/711043406.db2.gz SFTPBANEXCQSQD-OALUTQOASA-N 2 1 343.446 1.804 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001034881915 711282590 /nfs/dbraw/zinc/28/25/90/711282590.db2.gz PMAASVHMXMRYHA-AEFFLSMTSA-N 2 1 344.434 1.872 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001004473130 711849789 /nfs/dbraw/zinc/84/97/89/711849789.db2.gz LAKZUXHAXDJIMQ-MSOLQXFVSA-N 2 1 340.471 1.782 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4nccn43)CC[C@@H]2C1 ZINC000946623296 711922861 /nfs/dbraw/zinc/92/28/61/711922861.db2.gz GKPVTBCIUDMICH-BBWFWOEESA-N 2 1 326.444 1.564 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623296 711922862 /nfs/dbraw/zinc/92/28/62/711922862.db2.gz GKPVTBCIUDMICH-BBWFWOEESA-N 2 1 326.444 1.564 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623296 711922863 /nfs/dbraw/zinc/92/28/63/711922863.db2.gz GKPVTBCIUDMICH-BBWFWOEESA-N 2 1 326.444 1.564 20 30 EDEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC1=[NH+]CCCN1C ZINC000263202271 249329521 /nfs/dbraw/zinc/32/95/21/249329521.db2.gz XMJOKAPUBYFBOM-QZTJIDSGSA-N 2 1 330.476 1.805 20 30 EDEDMP CN(C)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1F ZINC000264084716 249332394 /nfs/dbraw/zinc/33/23/94/249332394.db2.gz IVUWKAITJYTQOT-UHFFFAOYSA-N 2 1 337.443 1.018 20 30 EDEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000376057059 250283450 /nfs/dbraw/zinc/28/34/50/250283450.db2.gz PJJUHVDRVLKFMH-IXDOHACOSA-N 2 1 336.480 1.228 20 30 EDEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000376057059 250283453 /nfs/dbraw/zinc/28/34/53/250283453.db2.gz PJJUHVDRVLKFMH-IXDOHACOSA-N 2 1 336.480 1.228 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@@H]1c2ccccc2NC1=O ZINC000170907438 442286396 /nfs/dbraw/zinc/28/63/96/442286396.db2.gz KRWNALLYQCDZOK-DZGCQCFKSA-N 2 1 329.448 1.501 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ncccc1Cl ZINC000268436495 442988725 /nfs/dbraw/zinc/98/87/25/442988725.db2.gz KIEGCTPRJISIJD-GFCCVEGCSA-N 2 1 325.844 1.502 20 30 EDEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)NC[C@H]1CCCO1 ZINC000262578077 443201494 /nfs/dbraw/zinc/20/14/94/443201494.db2.gz PGXBIKWSXQYSIK-OAHLLOKOSA-N 2 1 328.420 1.420 20 30 EDEDMP C[C@@H]1CCCC[N@H+]1CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264057954 443247226 /nfs/dbraw/zinc/24/72/26/443247226.db2.gz BOMNKOJAQGRHSL-MRXNPFEDSA-N 2 1 345.495 1.178 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnn(-c2ccccc2)c1 ZINC000264123008 443250640 /nfs/dbraw/zinc/25/06/40/443250640.db2.gz RLYCNSGYDAOLMB-KRWDZBQOSA-N 2 1 326.448 1.761 20 30 EDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)c(OC)c3)C2)CC1 ZINC000282490969 443354404 /nfs/dbraw/zinc/35/44/04/443354404.db2.gz XMSUIFQPJBASJO-GOSISDBHSA-N 2 1 328.460 1.779 20 30 EDEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)NC1CCCCC1 ZINC000272999271 443514508 /nfs/dbraw/zinc/51/45/08/443514508.db2.gz UJZCINWLUPWGHH-GOSISDBHSA-N 2 1 330.476 1.990 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(COCCOC)cc1 ZINC000290952088 443719963 /nfs/dbraw/zinc/71/99/63/443719963.db2.gz MCMMQGSTVWYERH-GOSISDBHSA-N 2 1 348.491 1.738 20 30 EDEDMP C#CCNC(=O)CC[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000292900855 443873721 /nfs/dbraw/zinc/87/37/21/443873721.db2.gz WBDBFGZHLHICQN-UHFFFAOYSA-N 2 1 328.460 1.759 20 30 EDEDMP NC(=NOC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCO1 ZINC000289439431 444144862 /nfs/dbraw/zinc/14/48/62/444144862.db2.gz TUAISZBONFCUMM-SJORKVTESA-N 2 1 333.432 1.745 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000297471185 444290110 /nfs/dbraw/zinc/29/01/10/444290110.db2.gz UTPUIBYLDHERQP-SFHVURJKSA-N 2 1 330.476 1.414 20 30 EDEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000579824001 321974015 /nfs/dbraw/zinc/97/40/15/321974015.db2.gz SIGUGZBIURIUIY-WMLDXEAASA-N 2 1 328.416 1.729 20 30 EDEDMP C[N@@H+](CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000329300018 444526732 /nfs/dbraw/zinc/52/67/32/444526732.db2.gz VISXOZNPZVLVRU-SJORKVTESA-N 2 1 338.496 1.352 20 30 EDEDMP CCOC1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)(N2CCOCC2)C1 ZINC000329897579 444757861 /nfs/dbraw/zinc/75/78/61/444757861.db2.gz LLEPIJLHVPQUSE-CKDBGZEDSA-N 2 1 325.453 1.307 20 30 EDEDMP C[NH+]1CCN(CCC(C)(C)NC(=O)[C@H]2CCn3cncc3C2)CC1 ZINC000329994721 444803559 /nfs/dbraw/zinc/80/35/59/444803559.db2.gz MMVUOMAHFIZFQN-HNNXBMFYSA-N 2 1 333.480 1.818 20 30 EDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346408382 445214040 /nfs/dbraw/zinc/21/40/40/445214040.db2.gz GRYAZZNYASAFII-HOTGVXAUSA-N 2 1 336.480 1.370 20 30 EDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346408382 445214041 /nfs/dbraw/zinc/21/40/41/445214041.db2.gz GRYAZZNYASAFII-HOTGVXAUSA-N 2 1 336.480 1.370 20 30 EDEDMP C[NH+]1CC[C@]2(CCN(CC#CCN3CC[C@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000366512256 446244400 /nfs/dbraw/zinc/24/44/00/446244400.db2.gz AHLSMANGPXCZAF-PMACEKPBSA-N 2 1 330.520 1.045 20 30 EDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000373529033 446249102 /nfs/dbraw/zinc/24/91/02/446249102.db2.gz KRPSMUCVNBKZTQ-OXQOHEQNSA-N 2 1 342.487 1.692 20 30 EDEDMP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)C1=O ZINC000375626474 446934080 /nfs/dbraw/zinc/93/40/80/446934080.db2.gz GUQIDTMSZGMBPG-HOTGVXAUSA-N 2 1 329.448 1.439 20 30 EDEDMP C(#CC[N@H+]1CCC[C@@]2(CCOC2)C1)C[NH+]1CCC[C@@]2(CCOC2)C1 ZINC000451912359 447781556 /nfs/dbraw/zinc/78/15/56/447781556.db2.gz SQJMQUMKXGXWFX-WOJBJXKFSA-N 2 1 332.488 1.995 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000562989576 448278307 /nfs/dbraw/zinc/27/83/07/448278307.db2.gz NMQUSJMHQISZBI-RLLQIKCJSA-N 2 1 344.503 1.693 20 30 EDEDMP COCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000562985670 448278415 /nfs/dbraw/zinc/27/84/15/448278415.db2.gz KAHPIKIDAQLKIN-SFHVURJKSA-N 2 1 347.459 1.193 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000565887521 448383029 /nfs/dbraw/zinc/38/30/29/448383029.db2.gz TXAJVIZSSWTXSI-KRWDZBQOSA-N 2 1 348.443 1.453 20 30 EDEDMP C[C@H]1CC[N@@H+](CC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)C1 ZINC000566435237 448469356 /nfs/dbraw/zinc/46/93/56/448469356.db2.gz GWRWKGOFHAEWAL-INIZCTEOSA-N 2 1 328.460 1.790 20 30 EDEDMP N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000591726578 448474097 /nfs/dbraw/zinc/47/40/97/448474097.db2.gz QJLNUZZHTRUKIG-OKZBNKHCSA-N 2 1 329.444 1.709 20 30 EDEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598589796 449479898 /nfs/dbraw/zinc/47/98/98/449479898.db2.gz JSOQXPAGKKQFKT-FGTMMUONSA-N 2 1 336.524 1.778 20 30 EDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598589796 449479900 /nfs/dbraw/zinc/47/99/00/449479900.db2.gz JSOQXPAGKKQFKT-FGTMMUONSA-N 2 1 336.524 1.778 20 30 EDEDMP C[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000598605944 449487881 /nfs/dbraw/zinc/48/78/81/449487881.db2.gz HXQVNMDKPJKSIO-UYAOXDASSA-N 2 1 345.487 1.856 20 30 EDEDMP C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000598605944 449487885 /nfs/dbraw/zinc/48/78/85/449487885.db2.gz HXQVNMDKPJKSIO-UYAOXDASSA-N 2 1 345.487 1.856 20 30 EDEDMP C[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000598605944 449487888 /nfs/dbraw/zinc/48/78/88/449487888.db2.gz HXQVNMDKPJKSIO-UYAOXDASSA-N 2 1 345.487 1.856 20 30 EDEDMP C[NH+](C[C@H](O)CC(C)(C)C#N)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000598605944 449487892 /nfs/dbraw/zinc/48/78/92/449487892.db2.gz HXQVNMDKPJKSIO-UYAOXDASSA-N 2 1 345.487 1.856 20 30 EDEDMP N#CCCCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000594425436 449509415 /nfs/dbraw/zinc/50/94/15/449509415.db2.gz IYYOVDIJEFUANR-INIZCTEOSA-N 2 1 336.480 1.549 20 30 EDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000610511811 450250056 /nfs/dbraw/zinc/25/00/56/450250056.db2.gz HTYSQZPKYCOXEG-NXHRZFHOSA-N 2 1 331.460 1.907 20 30 EDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000610511811 450250061 /nfs/dbraw/zinc/25/00/61/450250061.db2.gz HTYSQZPKYCOXEG-NXHRZFHOSA-N 2 1 331.460 1.907 20 30 EDEDMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC[NH+]1C ZINC000610511811 450250065 /nfs/dbraw/zinc/25/00/65/450250065.db2.gz HTYSQZPKYCOXEG-NXHRZFHOSA-N 2 1 331.460 1.907 20 30 EDEDMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)CC[NH+]1C ZINC000610511811 450250070 /nfs/dbraw/zinc/25/00/70/450250070.db2.gz HTYSQZPKYCOXEG-NXHRZFHOSA-N 2 1 331.460 1.907 20 30 EDEDMP C=CC[C@@]1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000662900404 453593923 /nfs/dbraw/zinc/59/39/23/453593923.db2.gz LLXWXNXOJJJLAB-MJGOQNOKSA-N 2 1 334.508 1.312 20 30 EDEDMP C=CC[C@@]1(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCC[NH2+]1 ZINC000662900404 453593926 /nfs/dbraw/zinc/59/39/26/453593926.db2.gz LLXWXNXOJJJLAB-MJGOQNOKSA-N 2 1 334.508 1.312 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCOCC2)cc1 ZINC000264067304 535597823 /nfs/dbraw/zinc/59/78/23/535597823.db2.gz BWBIBRRXUSTKDG-SFHVURJKSA-N 2 1 345.491 1.412 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000730095355 578613669 /nfs/dbraw/zinc/61/36/69/578613669.db2.gz DIYHBAZDNZNMOD-IBGZPJMESA-N 2 1 325.456 1.865 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000730095355 578613670 /nfs/dbraw/zinc/61/36/70/578613670.db2.gz DIYHBAZDNZNMOD-IBGZPJMESA-N 2 1 325.456 1.865 20 30 EDEDMP CN1CCCc2cc(C=[NH+]NC(=S)NCCC[NH+](C)C)ccc21 ZINC000731930556 578684489 /nfs/dbraw/zinc/68/44/89/578684489.db2.gz BXCVLOOVDZUNAT-UHFFFAOYSA-N 2 1 333.505 1.819 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000732066217 578689094 /nfs/dbraw/zinc/68/90/94/578689094.db2.gz KUVGRCPXFJGJJZ-QRVBRYPASA-N 2 1 346.519 1.101 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000732066217 578689095 /nfs/dbraw/zinc/68/90/95/578689095.db2.gz KUVGRCPXFJGJJZ-QRVBRYPASA-N 2 1 346.519 1.101 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000766548481 580169484 /nfs/dbraw/zinc/16/94/84/580169484.db2.gz ZDKNUSPEXAFHDS-IBGZPJMESA-N 2 1 349.519 1.681 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000766548481 580169485 /nfs/dbraw/zinc/16/94/85/580169485.db2.gz ZDKNUSPEXAFHDS-IBGZPJMESA-N 2 1 349.519 1.681 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000766548481 580169486 /nfs/dbraw/zinc/16/94/86/580169486.db2.gz ZDKNUSPEXAFHDS-IBGZPJMESA-N 2 1 349.519 1.681 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CCC[NH+](C)CCOC)CC1 ZINC000766548481 580169487 /nfs/dbraw/zinc/16/94/87/580169487.db2.gz ZDKNUSPEXAFHDS-IBGZPJMESA-N 2 1 349.519 1.681 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCC[NH+](C)CCOC)CC1 ZINC000766548481 580169488 /nfs/dbraw/zinc/16/94/88/580169488.db2.gz ZDKNUSPEXAFHDS-IBGZPJMESA-N 2 1 349.519 1.681 20 30 EDEDMP COc1cc(C#N)ccc1CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779651181 580492892 /nfs/dbraw/zinc/49/28/92/580492892.db2.gz GWAAJRDSCSRYHY-INIZCTEOSA-N 2 1 332.404 1.675 20 30 EDEDMP COc1cc(C#N)ccc1CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779651181 580492893 /nfs/dbraw/zinc/49/28/93/580492893.db2.gz GWAAJRDSCSRYHY-INIZCTEOSA-N 2 1 332.404 1.675 20 30 EDEDMP C[C@@H]1C[N@H+](Cc2ccccn2)CCC1=NNCCC[NH+]1CCOCC1 ZINC000799489043 581029345 /nfs/dbraw/zinc/02/93/45/581029345.db2.gz OGGIAMWDVJNGBA-QGZVFWFLSA-N 2 1 345.491 1.591 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNCCC[NH+]1CCOCC1 ZINC000799489043 581029346 /nfs/dbraw/zinc/02/93/46/581029346.db2.gz OGGIAMWDVJNGBA-QGZVFWFLSA-N 2 1 345.491 1.591 20 30 EDEDMP N#C[C@@H]1C[NH2+]CC12CC(c1nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no1)C2 ZINC000904098935 592425010 /nfs/dbraw/zinc/42/50/10/592425010.db2.gz IVZHSQUCNKVDJB-JEFPAAPESA-N 2 1 329.404 1.212 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](CCO)C(C)C)CC2)CC1 ZINC000910860250 592897684 /nfs/dbraw/zinc/89/76/84/592897684.db2.gz HERCSCXZMRKRJS-UHFFFAOYSA-N 2 1 349.519 1.273 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000730276855 593108515 /nfs/dbraw/zinc/10/85/15/593108515.db2.gz DEZHHEQUIGWVJT-LPHOPBHVSA-N 2 1 325.456 1.647 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000730276855 593108516 /nfs/dbraw/zinc/10/85/16/593108516.db2.gz DEZHHEQUIGWVJT-LPHOPBHVSA-N 2 1 325.456 1.647 20 30 EDEDMP C#CCO[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000826722825 594563908 /nfs/dbraw/zinc/56/39/08/594563908.db2.gz XPPCBIWAYITHSI-KRWDZBQOSA-N 2 1 349.519 1.679 20 30 EDEDMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852869337 595589105 /nfs/dbraw/zinc/58/91/05/595589105.db2.gz CPBURWZVKUPJDM-LJQANCHMSA-N 2 1 325.456 1.722 20 30 EDEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856592256 596027206 /nfs/dbraw/zinc/02/72/06/596027206.db2.gz IBWOMIWKTQKCEI-CRAIPNDOSA-N 2 1 344.459 1.124 20 30 EDEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856592256 596027211 /nfs/dbraw/zinc/02/72/11/596027211.db2.gz IBWOMIWKTQKCEI-CRAIPNDOSA-N 2 1 344.459 1.124 20 30 EDEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592256 596027214 /nfs/dbraw/zinc/02/72/14/596027214.db2.gz IBWOMIWKTQKCEI-CRAIPNDOSA-N 2 1 344.459 1.124 20 30 EDEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592256 596027219 /nfs/dbraw/zinc/02/72/19/596027219.db2.gz IBWOMIWKTQKCEI-CRAIPNDOSA-N 2 1 344.459 1.124 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993367876 696016139 /nfs/dbraw/zinc/01/61/39/696016139.db2.gz QZMMKJGDDJZVIJ-JKSUJKDBSA-N 2 1 331.464 1.051 20 30 EDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993367876 696016144 /nfs/dbraw/zinc/01/61/44/696016144.db2.gz QZMMKJGDDJZVIJ-JKSUJKDBSA-N 2 1 331.464 1.051 20 30 EDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993992423 696484960 /nfs/dbraw/zinc/48/49/60/696484960.db2.gz WMCAKDVEKPDWNO-NVXWUHKLSA-N 2 1 331.464 1.051 20 30 EDEDMP N#Cc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001031675379 697484984 /nfs/dbraw/zinc/48/49/84/697484984.db2.gz GKPSQOIDMGJBMT-IBGZPJMESA-N 2 1 338.455 1.448 20 30 EDEDMP C[C@@H]1[C@H](C(=O)NCC2CN(Cc3ccc(C#N)c(F)c3)C2)CC[N@H+]1C ZINC001031682438 697504098 /nfs/dbraw/zinc/50/40/98/697504098.db2.gz KSCZPJYSOGRIFG-CXAGYDPISA-N 2 1 344.434 1.586 20 30 EDEDMP C[NH+]=C(NCc1ccc(N2CCCC2)nc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083125830 700465154 /nfs/dbraw/zinc/46/51/54/700465154.db2.gz VZBDKYNWUNYERE-MRXNPFEDSA-N 2 1 342.491 1.584 20 30 EDEDMP C[NH+]=C(NCc1ccc(N2CCCC2)nc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083125830 700465155 /nfs/dbraw/zinc/46/51/55/700465155.db2.gz VZBDKYNWUNYERE-MRXNPFEDSA-N 2 1 342.491 1.584 20 30 EDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940987344 701041341 /nfs/dbraw/zinc/04/13/41/701041341.db2.gz NNYHKSIWYVQQDF-SJLPKXTDSA-N 2 1 342.487 1.994 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000940987344 701041342 /nfs/dbraw/zinc/04/13/42/701041342.db2.gz NNYHKSIWYVQQDF-SJLPKXTDSA-N 2 1 342.487 1.994 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941405086 701519343 /nfs/dbraw/zinc/51/93/43/701519343.db2.gz ZQLVWICFOWXKGI-GOSISDBHSA-N 2 1 334.508 1.264 20 30 EDEDMP C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996611009 702915978 /nfs/dbraw/zinc/91/59/78/702915978.db2.gz LZBHOISUNOQYGC-STQMWFEESA-N 2 1 344.297 1.673 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH+]2CCN(CC)CC2)CC1 ZINC000996776658 703066339 /nfs/dbraw/zinc/06/63/39/703066339.db2.gz OXXKXATXUFHSHV-ACBHZAAOSA-N 2 1 346.519 1.149 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH+]2CCN(CC)CC2)CC1 ZINC000996776658 703066342 /nfs/dbraw/zinc/06/63/42/703066342.db2.gz OXXKXATXUFHSHV-ACBHZAAOSA-N 2 1 346.519 1.149 20 30 EDEDMP C#CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000995266439 703182024 /nfs/dbraw/zinc/18/20/24/703182024.db2.gz HMYIJKZVYXRZEU-RTBURBONSA-N 2 1 340.471 1.317 20 30 EDEDMP C#CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000995266439 703182026 /nfs/dbraw/zinc/18/20/26/703182026.db2.gz HMYIJKZVYXRZEU-RTBURBONSA-N 2 1 340.471 1.317 20 30 EDEDMP C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000995266439 703182027 /nfs/dbraw/zinc/18/20/27/703182027.db2.gz HMYIJKZVYXRZEU-RTBURBONSA-N 2 1 340.471 1.317 20 30 EDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997228354 703503986 /nfs/dbraw/zinc/50/39/86/703503986.db2.gz GTATWDYZCMFXQL-LOPSVYGOSA-N 2 1 345.487 1.090 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(OCC)C1 ZINC001032453989 703639964 /nfs/dbraw/zinc/63/99/64/703639964.db2.gz YUYVNSZTSOLVJY-YMVWIMJXSA-N 2 1 345.487 1.184 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(OCC)C1 ZINC001032453989 703639966 /nfs/dbraw/zinc/63/99/66/703639966.db2.gz YUYVNSZTSOLVJY-YMVWIMJXSA-N 2 1 345.487 1.184 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(OCC)C1 ZINC001032453989 703639968 /nfs/dbraw/zinc/63/99/68/703639968.db2.gz YUYVNSZTSOLVJY-YMVWIMJXSA-N 2 1 345.487 1.184 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(OCC)C1 ZINC001032453989 703639970 /nfs/dbraw/zinc/63/99/70/703639970.db2.gz YUYVNSZTSOLVJY-YMVWIMJXSA-N 2 1 345.487 1.184 20 30 EDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000997612639 703909909 /nfs/dbraw/zinc/90/99/09/703909909.db2.gz ANCZIYDQHBEPMG-LPHOPBHVSA-N 2 1 347.503 1.480 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC000995551003 703955212 /nfs/dbraw/zinc/95/52/12/703955212.db2.gz LLAULSZCKVPWRQ-ROUUACIJSA-N 2 1 340.471 1.979 20 30 EDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597724 704293040 /nfs/dbraw/zinc/29/30/40/704293040.db2.gz HSYNSECKIMGERI-ZSYWTGECSA-N 2 1 347.503 1.596 20 30 EDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597724 704293041 /nfs/dbraw/zinc/29/30/41/704293041.db2.gz HSYNSECKIMGERI-ZSYWTGECSA-N 2 1 347.503 1.596 20 30 EDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597724 704293044 /nfs/dbraw/zinc/29/30/44/704293044.db2.gz HSYNSECKIMGERI-ZSYWTGECSA-N 2 1 347.503 1.596 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC000998188835 705493652 /nfs/dbraw/zinc/49/36/52/705493652.db2.gz KSHWEAVVYRCVAU-MSOLQXFVSA-N 2 1 337.508 1.986 20 30 EDEDMP C=CCC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998188835 705493654 /nfs/dbraw/zinc/49/36/54/705493654.db2.gz KSHWEAVVYRCVAU-MSOLQXFVSA-N 2 1 337.508 1.986 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998188835 705493655 /nfs/dbraw/zinc/49/36/55/705493655.db2.gz KSHWEAVVYRCVAU-MSOLQXFVSA-N 2 1 337.508 1.986 20 30 EDEDMP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000998188835 705493656 /nfs/dbraw/zinc/49/36/56/705493656.db2.gz KSHWEAVVYRCVAU-MSOLQXFVSA-N 2 1 337.508 1.986 20 30 EDEDMP C=CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998188835 705493658 /nfs/dbraw/zinc/49/36/58/705493658.db2.gz KSHWEAVVYRCVAU-MSOLQXFVSA-N 2 1 337.508 1.986 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000999394306 706888852 /nfs/dbraw/zinc/88/88/52/706888852.db2.gz CGYPQNQNKZZVKC-MSOLQXFVSA-N 2 1 326.444 1.260 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000999394306 706888854 /nfs/dbraw/zinc/88/88/54/706888854.db2.gz CGYPQNQNKZZVKC-MSOLQXFVSA-N 2 1 326.444 1.260 20 30 EDEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034208350 709556921 /nfs/dbraw/zinc/55/69/21/709556921.db2.gz CCCJZFXHTYGFRX-KRWDZBQOSA-N 2 1 347.507 1.995 20 30 EDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034364239 709882883 /nfs/dbraw/zinc/88/28/83/709882883.db2.gz KAGILCNERXKCOY-SJORKVTESA-N 2 1 328.460 1.748 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034364239 709882887 /nfs/dbraw/zinc/88/28/87/709882887.db2.gz KAGILCNERXKCOY-SJORKVTESA-N 2 1 328.460 1.748 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001034526585 710179020 /nfs/dbraw/zinc/17/90/20/710179020.db2.gz ZNGCHPPBBLODJG-OALUTQOASA-N 2 1 340.471 1.981 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001034526585 710179023 /nfs/dbraw/zinc/17/90/23/710179023.db2.gz ZNGCHPPBBLODJG-OALUTQOASA-N 2 1 340.471 1.981 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001034526585 710179026 /nfs/dbraw/zinc/17/90/26/710179026.db2.gz ZNGCHPPBBLODJG-OALUTQOASA-N 2 1 340.471 1.981 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001034882366 711283148 /nfs/dbraw/zinc/28/31/48/711283148.db2.gz VZRHVLLPUXMTMP-MSOLQXFVSA-N 2 1 326.444 1.733 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001034884735 711288403 /nfs/dbraw/zinc/28/84/03/711288403.db2.gz LNLVHJGLCBQXKX-AEFFLSMTSA-N 2 1 344.434 1.872 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001033153263 712175872 /nfs/dbraw/zinc/17/58/72/712175872.db2.gz FWBGFTNXTVSKDS-ROUUACIJSA-N 2 1 326.444 1.212 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2cccnc2)C1 ZINC001033153263 712175875 /nfs/dbraw/zinc/17/58/75/712175875.db2.gz FWBGFTNXTVSKDS-ROUUACIJSA-N 2 1 326.444 1.212 20 30 EDEDMP CCCCOc1ncccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264076488 249331936 /nfs/dbraw/zinc/33/19/36/249331936.db2.gz FYHFQUIHLKBOQA-UHFFFAOYSA-N 2 1 349.479 1.387 20 30 EDEDMP COc1ccccc1CNC(=[NH2+])NCCCN1CCC[N@@H+](C)CC1 ZINC000264078863 249332503 /nfs/dbraw/zinc/33/25/03/249332503.db2.gz GSMDDJSRRMBIOE-UHFFFAOYSA-N 2 1 333.480 1.127 20 30 EDEDMP COc1ccccc1CNC(=[NH2+])NCCC[N@@H+]1CCCN(C)CC1 ZINC000264078863 249332507 /nfs/dbraw/zinc/33/25/07/249332507.db2.gz GSMDDJSRRMBIOE-UHFFFAOYSA-N 2 1 333.480 1.127 20 30 EDEDMP COc1ccccc1CNC(=[NH2+])NCCC[N@H+]1CCCN(C)CC1 ZINC000264078863 249332509 /nfs/dbraw/zinc/33/25/09/249332509.db2.gz GSMDDJSRRMBIOE-UHFFFAOYSA-N 2 1 333.480 1.127 20 30 EDEDMP C#CCN1CCN(C(=O)CN2CCC(OCC3CCCC3)CC2)CC1 ZINC000490760479 255105203 /nfs/dbraw/zinc/10/52/03/255105203.db2.gz MGZZOBYODGCOLH-UHFFFAOYSA-N 2 1 347.503 1.435 20 30 EDEDMP COc1ccc(CCNC(=[NH2+])NC[C@@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000104192961 533478249 /nfs/dbraw/zinc/47/82/49/533478249.db2.gz DOYCREODRGTLPW-CYBMUJFWSA-N 2 1 334.464 1.633 20 30 EDEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000305064371 270011437 /nfs/dbraw/zinc/01/14/37/270011437.db2.gz HUSAHBOKKPSSMY-RTBURBONSA-N 2 1 328.460 1.303 20 30 EDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)C1 ZINC000305064371 270011438 /nfs/dbraw/zinc/01/14/38/270011438.db2.gz HUSAHBOKKPSSMY-RTBURBONSA-N 2 1 328.460 1.303 20 30 EDEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528399015 267302556 /nfs/dbraw/zinc/30/25/56/267302556.db2.gz XHTFTRJNEKUQJD-MJGOQNOKSA-N 2 1 343.471 1.962 20 30 EDEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528399015 267302558 /nfs/dbraw/zinc/30/25/58/267302558.db2.gz XHTFTRJNEKUQJD-MJGOQNOKSA-N 2 1 343.471 1.962 20 30 EDEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528399015 267302559 /nfs/dbraw/zinc/30/25/59/267302559.db2.gz XHTFTRJNEKUQJD-MJGOQNOKSA-N 2 1 343.471 1.962 20 30 EDEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528399015 267302561 /nfs/dbraw/zinc/30/25/61/267302561.db2.gz XHTFTRJNEKUQJD-MJGOQNOKSA-N 2 1 343.471 1.962 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)[nH]c1C ZINC000448853362 279329453 /nfs/dbraw/zinc/32/94/53/279329453.db2.gz OMMJMBRXEVCZNY-INIZCTEOSA-N 2 1 331.464 1.683 20 30 EDEDMP C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+](C)C1CC1 ZINC000104192987 441191170 /nfs/dbraw/zinc/19/11/70/441191170.db2.gz JXDNSLRFRVCIOX-ZDUSSCGKSA-N 2 1 339.484 1.337 20 30 EDEDMP C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261659003 443162641 /nfs/dbraw/zinc/16/26/41/443162641.db2.gz AMIGSADDHUKTRJ-BOUXLOLZSA-N 2 1 342.487 1.468 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000297226899 444278177 /nfs/dbraw/zinc/27/81/77/444278177.db2.gz FNPDSXVUJZXAKE-QGZVFWFLSA-N 2 1 334.439 1.683 20 30 EDEDMP N#Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000325808322 444369523 /nfs/dbraw/zinc/36/95/23/444369523.db2.gz OWSBAAKBNPENLZ-QZTJIDSGSA-N 2 1 326.444 1.638 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000365340289 446157839 /nfs/dbraw/zinc/15/78/39/446157839.db2.gz APPXYTIXGROPDK-MRXNPFEDSA-N 2 1 333.476 1.043 20 30 EDEDMP C=CCN(CC=C)C(=O)C[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000371557426 446930772 /nfs/dbraw/zinc/93/07/72/446930772.db2.gz VQPHFUZDQYCCEO-UHFFFAOYSA-N 2 1 345.491 1.480 20 30 EDEDMP C=CCN(CC=C)C(=O)C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000371557426 446930779 /nfs/dbraw/zinc/93/07/79/446930779.db2.gz VQPHFUZDQYCCEO-UHFFFAOYSA-N 2 1 345.491 1.480 20 30 EDEDMP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)C2)nc(C)[nH+]1 ZINC000375787687 447048535 /nfs/dbraw/zinc/04/85/35/447048535.db2.gz HEWJIYPYWHUYPN-GDBMZVCRSA-N 2 1 344.463 1.412 20 30 EDEDMP CC1(C)C[C@@H](O)CC[NH+](CC#CC[N@@H+]2CC[C@H](O)CC(C)(C)C2)C1 ZINC000451807033 447754935 /nfs/dbraw/zinc/75/49/35/447754935.db2.gz GFCQODKXOVCRIT-ROUUACIJSA-N 2 1 336.520 1.956 20 30 EDEDMP C#CCNC(=O)CC[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000491715789 448086849 /nfs/dbraw/zinc/08/68/49/448086849.db2.gz LHSVPFJXQYXIJM-CALCHBBNSA-N 2 1 343.471 1.525 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000562989575 448278013 /nfs/dbraw/zinc/27/80/13/448278013.db2.gz NMQUSJMHQISZBI-MISYRCLQSA-N 2 1 344.503 1.693 20 30 EDEDMP C=CCCOCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000574338218 448850304 /nfs/dbraw/zinc/85/03/04/448850304.db2.gz QRCJOAOULUMAAB-UHFFFAOYSA-N 2 1 337.508 1.892 20 30 EDEDMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000595949225 449275537 /nfs/dbraw/zinc/27/55/37/449275537.db2.gz YMHJDYWVOTWMJH-ZWKOTPCHSA-N 2 1 328.460 1.783 20 30 EDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2(C#N)CCOCC2)CC1 ZINC000596899644 449711116 /nfs/dbraw/zinc/71/11/16/449711116.db2.gz PEXCPBUGRMRTGO-UHFFFAOYSA-N 2 1 343.431 1.482 20 30 EDEDMP Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ncc1C#N ZINC000603111005 450073357 /nfs/dbraw/zinc/07/33/57/450073357.db2.gz HXSWVVYLCZQHDA-AWEZNQCLSA-N 2 1 332.452 1.655 20 30 EDEDMP Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ncc1C#N ZINC000603111005 450073359 /nfs/dbraw/zinc/07/33/59/450073359.db2.gz HXSWVVYLCZQHDA-AWEZNQCLSA-N 2 1 332.452 1.655 20 30 EDEDMP CC(C)CCNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264073016 535385020 /nfs/dbraw/zinc/38/50/20/535385020.db2.gz DRKYTJPIYVIOAY-UHFFFAOYSA-N 2 1 332.496 1.544 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000740735782 579383129 /nfs/dbraw/zinc/38/31/29/579383129.db2.gz PGMRUSMLPUPDTG-ZIFCJYIRSA-N 2 1 349.519 1.724 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000740735782 579383130 /nfs/dbraw/zinc/38/31/30/579383130.db2.gz PGMRUSMLPUPDTG-ZIFCJYIRSA-N 2 1 349.519 1.724 20 30 EDEDMP COc1ccc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1C#N ZINC000742369877 579450141 /nfs/dbraw/zinc/45/01/41/579450141.db2.gz IAWNZDPZYJJWAE-UHFFFAOYSA-N 2 1 344.459 1.599 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000780398344 580521429 /nfs/dbraw/zinc/52/14/29/580521429.db2.gz OGWMYCVSPRJDAE-JPMGXVIASA-N 2 1 337.467 1.942 20 30 EDEDMP C#CCN1CCN(C(=O)CN2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000780398344 580521430 /nfs/dbraw/zinc/52/14/30/580521430.db2.gz OGWMYCVSPRJDAE-JPMGXVIASA-N 2 1 337.467 1.942 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000900326857 591991034 /nfs/dbraw/zinc/99/10/34/591991034.db2.gz QSMPRATXAUTWGX-KRWDZBQOSA-N 2 1 344.459 1.583 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000900326857 591991035 /nfs/dbraw/zinc/99/10/35/591991035.db2.gz QSMPRATXAUTWGX-KRWDZBQOSA-N 2 1 344.459 1.583 20 30 EDEDMP N#Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000905295116 592487329 /nfs/dbraw/zinc/48/73/29/592487329.db2.gz OXJCQKZCXVNGIY-HDICACEKSA-N 2 1 339.443 1.991 20 30 EDEDMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000843116155 595290862 /nfs/dbraw/zinc/29/08/62/595290862.db2.gz WGTQLESWLXWQIO-APWZRJJASA-N 2 1 340.427 1.236 20 30 EDEDMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cn1 ZINC000848408834 595374480 /nfs/dbraw/zinc/37/44/80/595374480.db2.gz CDAMLUBPOPDUOQ-OAHLLOKOSA-N 2 1 326.404 1.603 20 30 EDEDMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852868896 595588435 /nfs/dbraw/zinc/58/84/35/595588435.db2.gz XLJGUWQDWIJKNO-FQEVSTJZSA-N 2 1 339.483 1.970 20 30 EDEDMP CN1CCN(Cc2cccc(NC(=O)C#CC3CC[NH2+]CC3)c2)CC1 ZINC000852872920 595591746 /nfs/dbraw/zinc/59/17/46/595591746.db2.gz NDTJUKBJFXAHBR-UHFFFAOYSA-N 2 1 340.471 1.376 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000861634436 596053078 /nfs/dbraw/zinc/05/30/78/596053078.db2.gz INCFBKWXWQFWHF-QWHCGFSZSA-N 2 1 334.386 1.110 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000852360086 596136429 /nfs/dbraw/zinc/13/64/29/596136429.db2.gz UAARFLISGXQVBO-GOSISDBHSA-N 2 1 328.460 1.515 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000852360086 596136430 /nfs/dbraw/zinc/13/64/30/596136430.db2.gz UAARFLISGXQVBO-GOSISDBHSA-N 2 1 328.460 1.515 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000852360086 596136432 /nfs/dbraw/zinc/13/64/32/596136432.db2.gz UAARFLISGXQVBO-GOSISDBHSA-N 2 1 328.460 1.515 20 30 EDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000876961721 597398209 /nfs/dbraw/zinc/39/82/09/597398209.db2.gz WJLLAPQWHMFTLZ-HZPDHXFCSA-N 2 1 337.851 1.339 20 30 EDEDMP C#CCN(C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000914074056 695068610 /nfs/dbraw/zinc/06/86/10/695068610.db2.gz XKQFYZZVPNIKPZ-SJORKVTESA-N 2 1 334.508 1.988 20 30 EDEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC000992746474 695273353 /nfs/dbraw/zinc/27/33/53/695273353.db2.gz WYFCBFIZSDBKMG-VNQPRFMTSA-N 2 1 332.448 1.753 20 30 EDEDMP C#CCN(C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914342034 695366890 /nfs/dbraw/zinc/36/68/90/695366890.db2.gz VEYJJKXVTAPDIF-DLBZAZTESA-N 2 1 334.508 1.846 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993367868 696016458 /nfs/dbraw/zinc/01/64/58/696016458.db2.gz QZMMKJGDDJZVIJ-HZPDHXFCSA-N 2 1 331.464 1.051 20 30 EDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993367868 696016460 /nfs/dbraw/zinc/01/64/60/696016460.db2.gz QZMMKJGDDJZVIJ-HZPDHXFCSA-N 2 1 331.464 1.051 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCc3ccc(C)cc3)C2)CC1 ZINC001031437032 697100426 /nfs/dbraw/zinc/10/04/26/697100426.db2.gz TUTZZNYQSHSMNK-UHFFFAOYSA-N 2 1 339.483 1.683 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943518994 698434476 /nfs/dbraw/zinc/43/44/76/698434476.db2.gz VFYZODYAXKPZLY-WBVHZDCISA-N 2 1 333.480 1.461 20 30 EDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943772918 698879609 /nfs/dbraw/zinc/87/96/09/698879609.db2.gz WAWGOEXPUVXYMW-CRAIPNDOSA-N 2 1 337.427 1.731 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943772918 698879614 /nfs/dbraw/zinc/87/96/14/698879614.db2.gz WAWGOEXPUVXYMW-CRAIPNDOSA-N 2 1 337.427 1.731 20 30 EDEDMP C=CCN1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941602882 701593289 /nfs/dbraw/zinc/59/32/89/701593289.db2.gz CILJDHZAJCGGBR-FUHWJXTLSA-N 2 1 332.492 1.018 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941602882 701593290 /nfs/dbraw/zinc/59/32/90/701593290.db2.gz CILJDHZAJCGGBR-FUHWJXTLSA-N 2 1 332.492 1.018 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941602882 701593291 /nfs/dbraw/zinc/59/32/91/701593291.db2.gz CILJDHZAJCGGBR-FUHWJXTLSA-N 2 1 332.492 1.018 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3nocc3C)C2)CC1 ZINC000939812928 699960418 /nfs/dbraw/zinc/96/04/18/699960418.db2.gz WUDCISPHESNFIT-KBXCAEBGSA-N 2 1 344.459 1.265 20 30 EDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973469 701015607 /nfs/dbraw/zinc/01/56/07/701015607.db2.gz VJVOMWFSWNWCHQ-SJORKVTESA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973469 701015608 /nfs/dbraw/zinc/01/56/08/701015608.db2.gz VJVOMWFSWNWCHQ-SJORKVTESA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973469 701015609 /nfs/dbraw/zinc/01/56/09/701015609.db2.gz VJVOMWFSWNWCHQ-SJORKVTESA-N 2 1 335.492 1.336 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973469 701015611 /nfs/dbraw/zinc/01/56/11/701015611.db2.gz VJVOMWFSWNWCHQ-SJORKVTESA-N 2 1 335.492 1.336 20 30 EDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032481 701074545 /nfs/dbraw/zinc/07/45/45/701074545.db2.gz HVTLNSMWJXKTAR-NVXWUHKLSA-N 2 1 328.460 1.604 20 30 EDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032481 701074549 /nfs/dbraw/zinc/07/45/49/701074549.db2.gz HVTLNSMWJXKTAR-NVXWUHKLSA-N 2 1 328.460 1.604 20 30 EDEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1(C)C ZINC000996310738 702700144 /nfs/dbraw/zinc/70/01/44/702700144.db2.gz PHIOVLMOFADOQC-MRXNPFEDSA-N 2 1 332.448 1.897 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996684181 702981896 /nfs/dbraw/zinc/98/18/96/702981896.db2.gz GVRNPBMXUKPWKC-SFHVURJKSA-N 2 1 333.476 1.091 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996684181 702981898 /nfs/dbraw/zinc/98/18/98/702981898.db2.gz GVRNPBMXUKPWKC-SFHVURJKSA-N 2 1 333.476 1.091 20 30 EDEDMP C=CCN1CC[NH+](C2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000996789643 703082125 /nfs/dbraw/zinc/08/21/25/703082125.db2.gz QLZOIQDSVIIEEO-LMDPOFIKSA-N 2 1 348.535 1.702 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C1 ZINC000995553825 703965985 /nfs/dbraw/zinc/96/59/85/703965985.db2.gz UGJGHKGCZSMGIS-QZTJIDSGSA-N 2 1 340.471 1.979 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001040474446 705533270 /nfs/dbraw/zinc/53/32/70/705533270.db2.gz MVBMLGFACPDCST-FQEVSTJZSA-N 2 1 349.519 1.988 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C(F)(F)F ZINC000998280265 705676082 /nfs/dbraw/zinc/67/60/82/705676082.db2.gz KXVBIHOGPKBATR-QWHCGFSZSA-N 2 1 328.338 1.194 20 30 EDEDMP C#CCN(C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)C1CC[NH+](C)CC1 ZINC000921665738 705946428 /nfs/dbraw/zinc/94/64/28/705946428.db2.gz RSLVBRDSHLNFLK-LJQANCHMSA-N 2 1 340.471 1.912 20 30 EDEDMP C#CCN(C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)C1CC[NH+](C)CC1 ZINC000921665738 705946432 /nfs/dbraw/zinc/94/64/32/705946432.db2.gz RSLVBRDSHLNFLK-LJQANCHMSA-N 2 1 340.471 1.912 20 30 EDEDMP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998557220 705996293 /nfs/dbraw/zinc/99/62/93/705996293.db2.gz RTUQDSPDKIMPIZ-WXRRBKDZSA-N 2 1 330.270 1.568 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncc(C)c2)C1 ZINC000998923950 706352635 /nfs/dbraw/zinc/35/26/35/706352635.db2.gz ZVKSFCRTUKNUML-ACBHZAAOSA-N 2 1 340.471 1.567 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncc(C)c2)C1 ZINC000998923950 706352639 /nfs/dbraw/zinc/35/26/39/706352639.db2.gz ZVKSFCRTUKNUML-ACBHZAAOSA-N 2 1 340.471 1.567 20 30 EDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946808300 707505536 /nfs/dbraw/zinc/50/55/36/707505536.db2.gz NJPRFZCWPMRONQ-KDURUIRLSA-N 2 1 331.504 1.912 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cc(C)on3)C2)CC1 ZINC000999876892 707524949 /nfs/dbraw/zinc/52/49/49/707524949.db2.gz VZFREUPBLXYDKJ-UHFFFAOYSA-N 2 1 344.459 1.407 20 30 EDEDMP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3CCC)nn2)C1 ZINC000999985687 707655793 /nfs/dbraw/zinc/65/57/93/707655793.db2.gz DKAZMJULIZRVEH-DLBZAZTESA-N 2 1 346.479 1.202 20 30 EDEDMP C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3CCC)nn2)C1 ZINC000999985687 707655797 /nfs/dbraw/zinc/65/57/97/707655797.db2.gz DKAZMJULIZRVEH-DLBZAZTESA-N 2 1 346.479 1.202 20 30 EDEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3CCC)nn2)C1 ZINC000999985687 707655801 /nfs/dbraw/zinc/65/58/01/707655801.db2.gz DKAZMJULIZRVEH-DLBZAZTESA-N 2 1 346.479 1.202 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439545 707868475 /nfs/dbraw/zinc/86/84/75/707868475.db2.gz DVQFJYDVRDQJNF-AQNXPRMDSA-N 2 1 339.483 1.888 20 30 EDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439545 707868477 /nfs/dbraw/zinc/86/84/77/707868477.db2.gz DVQFJYDVRDQJNF-AQNXPRMDSA-N 2 1 339.483 1.888 20 30 EDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439545 707868480 /nfs/dbraw/zinc/86/84/80/707868480.db2.gz DVQFJYDVRDQJNF-AQNXPRMDSA-N 2 1 339.483 1.888 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H](CC)OC)C2)CC1 ZINC001033686063 708500565 /nfs/dbraw/zinc/50/05/65/708500565.db2.gz ZGNVQTGMYDFIHT-ZWKOTPCHSA-N 2 1 335.492 1.289 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033983133 709191768 /nfs/dbraw/zinc/19/17/68/709191768.db2.gz NHXSGJFZAYOQNK-SFHVURJKSA-N 2 1 347.507 1.947 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001003056854 709906606 /nfs/dbraw/zinc/90/66/06/709906606.db2.gz VAYZSRIOIRPBOZ-MSOLQXFVSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001003056854 709906607 /nfs/dbraw/zinc/90/66/07/709906607.db2.gz VAYZSRIOIRPBOZ-MSOLQXFVSA-N 2 1 333.476 1.234 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001034523780 710171605 /nfs/dbraw/zinc/17/16/05/710171605.db2.gz BVBGHKORUNJQNI-RBUKOAKNSA-N 2 1 340.471 1.981 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001034523780 710171607 /nfs/dbraw/zinc/17/16/07/710171607.db2.gz BVBGHKORUNJQNI-RBUKOAKNSA-N 2 1 340.471 1.981 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001034523780 710171608 /nfs/dbraw/zinc/17/16/08/710171608.db2.gz BVBGHKORUNJQNI-RBUKOAKNSA-N 2 1 340.471 1.981 20 30 EDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033143558 711952837 /nfs/dbraw/zinc/95/28/37/711952837.db2.gz HVPATKRQSYFTFE-ZWKOTPCHSA-N 2 1 333.476 1.186 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033143558 711952838 /nfs/dbraw/zinc/95/28/38/711952838.db2.gz HVPATKRQSYFTFE-ZWKOTPCHSA-N 2 1 333.476 1.186 20 30 EDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033143558 711952840 /nfs/dbraw/zinc/95/28/40/711952840.db2.gz HVPATKRQSYFTFE-ZWKOTPCHSA-N 2 1 333.476 1.186 20 30 EDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033143558 711952842 /nfs/dbraw/zinc/95/28/42/711952842.db2.gz HVPATKRQSYFTFE-ZWKOTPCHSA-N 2 1 333.476 1.186 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004575386 712002182 /nfs/dbraw/zinc/00/21/82/712002182.db2.gz IHHLOWWNXYXZKA-LJQANCHMSA-N 2 1 349.519 1.988 20 30 EDEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004575386 712002183 /nfs/dbraw/zinc/00/21/83/712002183.db2.gz IHHLOWWNXYXZKA-LJQANCHMSA-N 2 1 349.519 1.988 20 30 EDEDMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)C[C@H](C)O1 ZINC000424151076 252144959 /nfs/dbraw/zinc/14/49/59/252144959.db2.gz GZWPGNVJSJKBBR-UXLLHSPISA-N 2 1 336.480 1.355 20 30 EDEDMP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378431941 158171547 /nfs/dbraw/zinc/17/15/47/158171547.db2.gz PWUGHLITXWOSSM-WOJBJXKFSA-N 2 1 342.487 1.692 20 30 EDEDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528399010 267303116 /nfs/dbraw/zinc/30/31/16/267303116.db2.gz XHTFTRJNEKUQJD-IEBWSBKVSA-N 2 1 343.471 1.962 20 30 EDEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528399010 267303118 /nfs/dbraw/zinc/30/31/18/267303118.db2.gz XHTFTRJNEKUQJD-IEBWSBKVSA-N 2 1 343.471 1.962 20 30 EDEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528399010 267303120 /nfs/dbraw/zinc/30/31/20/267303120.db2.gz XHTFTRJNEKUQJD-IEBWSBKVSA-N 2 1 343.471 1.962 20 30 EDEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528399010 267303124 /nfs/dbraw/zinc/30/31/24/267303124.db2.gz XHTFTRJNEKUQJD-IEBWSBKVSA-N 2 1 343.471 1.962 20 30 EDEDMP C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)CN1CC[NH+](C)CC1 ZINC000083032489 441348282 /nfs/dbraw/zinc/34/82/82/441348282.db2.gz MGQMURQSWQMSEI-DOTOQJQBSA-N 2 1 345.491 1.298 20 30 EDEDMP CC[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261953257 443175691 /nfs/dbraw/zinc/17/56/91/443175691.db2.gz IANWEXROOCHJIU-BBRMVZONSA-N 2 1 344.459 1.953 20 30 EDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000262486688 443197830 /nfs/dbraw/zinc/19/78/30/443197830.db2.gz IQAISESQUGSENN-NVXWUHKLSA-N 2 1 346.475 1.771 20 30 EDEDMP CC(C)CNC(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303867190 444237604 /nfs/dbraw/zinc/23/76/04/444237604.db2.gz CTKXCFNTNBZZCD-UHFFFAOYSA-N 2 1 341.500 1.490 20 30 EDEDMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000328660057 444419618 /nfs/dbraw/zinc/41/96/18/444419618.db2.gz URRHEOQJNNSWQB-UHFFFAOYSA-N 2 1 337.468 1.168 20 30 EDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000580556265 322067017 /nfs/dbraw/zinc/06/70/17/322067017.db2.gz JUJUSMYRGSPMTR-QZTJIDSGSA-N 2 1 339.443 1.278 20 30 EDEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000580556265 322067019 /nfs/dbraw/zinc/06/70/19/322067019.db2.gz JUJUSMYRGSPMTR-QZTJIDSGSA-N 2 1 339.443 1.278 20 30 EDEDMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000329756715 444704042 /nfs/dbraw/zinc/70/40/42/444704042.db2.gz MLJBFCVEQIJOED-YQQAZPJKSA-N 2 1 340.512 1.408 20 30 EDEDMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000330828620 445157175 /nfs/dbraw/zinc/15/71/75/445157175.db2.gz GFWFBROQJJFREX-GJZGRUSLSA-N 2 1 326.485 1.162 20 30 EDEDMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C3(C#N)CCC3)CC2)CC1 ZINC000371088687 446622150 /nfs/dbraw/zinc/62/21/50/446622150.db2.gz ONHPILQXTKNEBZ-UHFFFAOYSA-N 2 1 332.492 1.993 20 30 EDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000371296481 446753028 /nfs/dbraw/zinc/75/30/28/446753028.db2.gz ZVUUFBFHVGDZMH-AKHDSKFASA-N 2 1 329.444 1.775 20 30 EDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000371296481 446753036 /nfs/dbraw/zinc/75/30/36/446753036.db2.gz ZVUUFBFHVGDZMH-AKHDSKFASA-N 2 1 329.444 1.775 20 30 EDEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000442713686 446940643 /nfs/dbraw/zinc/94/06/43/446940643.db2.gz JLBMQUBSARRHKW-FUHWJXTLSA-N 2 1 326.444 1.856 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000377564904 447208562 /nfs/dbraw/zinc/20/85/62/447208562.db2.gz IZYMGOGZHGQZES-IAGOWNOFSA-N 2 1 336.480 1.189 20 30 EDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1C#N ZINC000559928536 448211535 /nfs/dbraw/zinc/21/15/35/448211535.db2.gz BJRZRKOKQQFGRM-OAHLLOKOSA-N 2 1 332.452 1.635 20 30 EDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1C#N ZINC000559928536 448211540 /nfs/dbraw/zinc/21/15/40/448211540.db2.gz BJRZRKOKQQFGRM-OAHLLOKOSA-N 2 1 332.452 1.635 20 30 EDEDMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000577484970 448308527 /nfs/dbraw/zinc/30/85/27/448308527.db2.gz OHKXIIBKEGQDJR-DOTOQJQBSA-N 2 1 346.450 1.711 20 30 EDEDMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1 ZINC000577484970 448308531 /nfs/dbraw/zinc/30/85/31/448308531.db2.gz OHKXIIBKEGQDJR-DOTOQJQBSA-N 2 1 346.450 1.711 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000566107768 448390429 /nfs/dbraw/zinc/39/04/29/448390429.db2.gz PCHFSOYRBNYYAL-GOSISDBHSA-N 2 1 329.444 1.928 20 30 EDEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000598723102 449564137 /nfs/dbraw/zinc/56/41/37/449564137.db2.gz DUYVINVHMHHXPR-ZWKOTPCHSA-N 2 1 331.460 1.644 20 30 EDEDMP C=CCOCCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638427327 451510620 /nfs/dbraw/zinc/51/06/20/451510620.db2.gz ZHJWTVOLFMQGCB-UHFFFAOYSA-N 2 1 331.460 1.689 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000108713341 526923872 /nfs/dbraw/zinc/92/38/72/526923872.db2.gz LWORRPFWXODRGR-UHFFFAOYSA-N 2 1 327.472 1.970 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H]1c2ccccc2NC1=O ZINC000245900904 535598093 /nfs/dbraw/zinc/59/80/93/535598093.db2.gz KRWNALLYQCDZOK-ZFWWWQNUSA-N 2 1 329.448 1.501 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000730285325 578639900 /nfs/dbraw/zinc/63/99/00/578639900.db2.gz MIIRWOZABCOOAB-IBGZPJMESA-N 2 1 343.471 1.383 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000730285325 578639901 /nfs/dbraw/zinc/63/99/01/578639901.db2.gz MIIRWOZABCOOAB-IBGZPJMESA-N 2 1 343.471 1.383 20 30 EDEDMP CCOCCC[N@H+]1CCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)[C@@H](C)C1 ZINC000753933132 579891503 /nfs/dbraw/zinc/89/15/03/579891503.db2.gz BMBCYKXHAVSQSC-BHYGNILZSA-N 2 1 335.496 1.971 20 30 EDEDMP Cc1nccc(CNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)n1 ZINC000912506100 593101265 /nfs/dbraw/zinc/10/12/65/593101265.db2.gz IZJRWGKCHFUJBF-UHFFFAOYSA-N 2 1 348.495 1.341 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000809190319 593323210 /nfs/dbraw/zinc/32/32/10/593323210.db2.gz MYPWOLLXVGWHLV-KRWDZBQOSA-N 2 1 344.459 1.126 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000809190319 593323212 /nfs/dbraw/zinc/32/32/12/593323212.db2.gz MYPWOLLXVGWHLV-KRWDZBQOSA-N 2 1 344.459 1.126 20 30 EDEDMP COc1cc(C#N)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000824818461 594079933 /nfs/dbraw/zinc/07/99/33/594079933.db2.gz GNWMWXXTYGISAP-AWEZNQCLSA-N 2 1 332.448 1.569 20 30 EDEDMP COc1cc(C#N)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000824818461 594079936 /nfs/dbraw/zinc/07/99/36/594079936.db2.gz GNWMWXXTYGISAP-AWEZNQCLSA-N 2 1 332.448 1.569 20 30 EDEDMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876728827 597309782 /nfs/dbraw/zinc/30/97/82/597309782.db2.gz WZJVOPYQCOKNSC-YJBOKZPZSA-N 2 1 326.444 1.545 20 30 EDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000876775987 597335395 /nfs/dbraw/zinc/33/53/95/597335395.db2.gz IMOMYUXNOCPXLZ-CQSZACIVSA-N 2 1 337.855 1.648 20 30 EDEDMP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876951331 597394335 /nfs/dbraw/zinc/39/43/35/597394335.db2.gz KIPCQLQOHSTICO-SFHVURJKSA-N 2 1 326.444 1.689 20 30 EDEDMP N#Cc1cccc(C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001031812873 699487659 /nfs/dbraw/zinc/48/76/59/699487659.db2.gz KGOQDSGZQOKSRA-UHFFFAOYSA-N 2 1 338.455 1.735 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncc(C)o3)C2)CC1 ZINC000939811831 699959750 /nfs/dbraw/zinc/95/97/50/699959750.db2.gz VCVUGCVZULJODL-RHSMWYFYSA-N 2 1 344.459 1.265 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408753 701521443 /nfs/dbraw/zinc/52/14/43/701521443.db2.gz RWWHMNWHUBWDLB-MSOLQXFVSA-N 2 1 346.519 1.265 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001032182211 702189783 /nfs/dbraw/zinc/18/97/83/702189783.db2.gz HHDDMIVOBVJSKX-QGZVFWFLSA-N 2 1 342.443 1.089 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]Cc2ccccc2C#N)CC1 ZINC000996798244 703090508 /nfs/dbraw/zinc/09/05/08/703090508.db2.gz KEQBCTTWRWRFAF-UHFFFAOYSA-N 2 1 337.427 1.844 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000997300457 703543997 /nfs/dbraw/zinc/54/39/97/703543997.db2.gz VGTPKXNSNNSRDD-OAHLLOKOSA-N 2 1 344.434 1.730 20 30 EDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597685 704292450 /nfs/dbraw/zinc/29/24/50/704292450.db2.gz GIRMKLKTDZJNNX-XMTFNYHQSA-N 2 1 333.476 1.206 20 30 EDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597685 704292453 /nfs/dbraw/zinc/29/24/53/704292453.db2.gz GIRMKLKTDZJNNX-XMTFNYHQSA-N 2 1 333.476 1.206 20 30 EDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597685 704292454 /nfs/dbraw/zinc/29/24/54/704292454.db2.gz GIRMKLKTDZJNNX-XMTFNYHQSA-N 2 1 333.476 1.206 20 30 EDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COCCN1C1CCCC1 ZINC001032585426 705062329 /nfs/dbraw/zinc/06/23/29/705062329.db2.gz IFTPUXCZVQAIQU-OKZBNKHCSA-N 2 1 333.476 1.491 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)no2)C1 ZINC000998922516 706350528 /nfs/dbraw/zinc/35/05/28/706350528.db2.gz HDUHJRJYXWJJHZ-DQPZFDDXSA-N 2 1 330.432 1.160 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)no2)C1 ZINC000998922516 706350532 /nfs/dbraw/zinc/35/05/32/706350532.db2.gz HDUHJRJYXWJJHZ-DQPZFDDXSA-N 2 1 330.432 1.160 20 30 EDEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999764461 707318936 /nfs/dbraw/zinc/31/89/36/707318936.db2.gz KMNLTMDLNHEYHO-DGNOSDGRSA-N 2 1 339.867 1.183 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946742968 707363495 /nfs/dbraw/zinc/36/34/95/707363495.db2.gz KNIWKTJPEOOLCL-IYBDPMFKSA-N 2 1 329.444 1.758 20 30 EDEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033955584 709137190 /nfs/dbraw/zinc/13/71/90/709137190.db2.gz AIESKOVEDSTABA-DLBZAZTESA-N 2 1 328.460 1.700 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033955584 709137191 /nfs/dbraw/zinc/13/71/91/709137191.db2.gz AIESKOVEDSTABA-DLBZAZTESA-N 2 1 328.460 1.700 20 30 EDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC001005496789 709230611 /nfs/dbraw/zinc/23/06/11/709230611.db2.gz IKZLKUMLGYCARO-LJQANCHMSA-N 2 1 347.503 1.576 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001003054992 709892485 /nfs/dbraw/zinc/89/24/85/709892485.db2.gz DNQZXWPLOLBQIS-INIZCTEOSA-N 2 1 339.430 1.710 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001003054992 709892491 /nfs/dbraw/zinc/89/24/91/709892491.db2.gz DNQZXWPLOLBQIS-INIZCTEOSA-N 2 1 339.430 1.710 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001034884737 711288176 /nfs/dbraw/zinc/28/81/76/711288176.db2.gz LNLVHJGLCBQXKX-SJLPKXTDSA-N 2 1 344.434 1.872 20 30 EDEDMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C#N)cs3)C2)[C@@H]1C(C)C ZINC000922392685 711457930 /nfs/dbraw/zinc/45/79/30/711457930.db2.gz GBETUFPXHRFYMP-TXCZRRACSA-N 2 1 334.489 1.974 20 30 EDEDMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C#N)cs3)C2)[C@@H]1C(C)C ZINC000922392685 711457933 /nfs/dbraw/zinc/45/79/33/711457933.db2.gz GBETUFPXHRFYMP-TXCZRRACSA-N 2 1 334.489 1.974 20 30 EDEDMP C[NH+]=C(NCc1nc(C)cs1)NC[C@]1([NH+](C)C)CCSC1 ZINC000262455659 249320948 /nfs/dbraw/zinc/32/09/48/249320948.db2.gz UAHNOLIITMHQHA-CQSZACIVSA-N 2 1 327.523 1.554 20 30 EDEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)COCc1ccccc1 ZINC000264066410 249331242 /nfs/dbraw/zinc/33/12/42/249331242.db2.gz BLBXJGBJOMNEBF-QGZVFWFLSA-N 2 1 348.491 1.466 20 30 EDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000350225096 250058931 /nfs/dbraw/zinc/05/89/31/250058931.db2.gz USARCXCFNMLDDG-SJLPKXTDSA-N 2 1 338.496 1.474 20 30 EDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000350225096 250058933 /nfs/dbraw/zinc/05/89/33/250058933.db2.gz USARCXCFNMLDDG-SJLPKXTDSA-N 2 1 338.496 1.474 20 30 EDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000372361361 250219773 /nfs/dbraw/zinc/21/97/73/250219773.db2.gz YYQCIIOZUGSDIY-IXDOHACOSA-N 2 1 336.480 1.228 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000491677619 255139506 /nfs/dbraw/zinc/13/95/06/255139506.db2.gz QXWCWLBJWMPEBC-QGZVFWFLSA-N 2 1 328.460 1.559 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000491677619 255139508 /nfs/dbraw/zinc/13/95/08/255139508.db2.gz QXWCWLBJWMPEBC-QGZVFWFLSA-N 2 1 328.460 1.559 20 30 EDEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOc3cccc(C#N)c3)CC2)C1 ZINC000360963577 152265096 /nfs/dbraw/zinc/26/50/96/152265096.db2.gz YFSUAQMVHLJFCU-SFHVURJKSA-N 2 1 328.460 1.649 20 30 EDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](CCOc3cccc(C#N)c3)CC2)C1 ZINC000360963577 152265098 /nfs/dbraw/zinc/26/50/98/152265098.db2.gz YFSUAQMVHLJFCU-SFHVURJKSA-N 2 1 328.460 1.649 20 30 EDEDMP Cc1c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)oc2ccccc12 ZINC000083234455 441356823 /nfs/dbraw/zinc/35/68/23/441356823.db2.gz PELRGBDKISIJDT-UHFFFAOYSA-N 2 1 330.432 1.868 20 30 EDEDMP C=CCC[C@@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000128467214 442268086 /nfs/dbraw/zinc/26/80/86/442268086.db2.gz BMCMBWABNHNKDP-GOSISDBHSA-N 2 1 337.508 1.580 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(-c2n[nH]c(C)n2)c1 ZINC000134233206 442459376 /nfs/dbraw/zinc/45/93/76/442459376.db2.gz YMAJJMMEXWFNEX-MRXNPFEDSA-N 2 1 341.463 1.669 20 30 EDEDMP CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261975443 443177375 /nfs/dbraw/zinc/17/73/75/443177375.db2.gz NOYNXPIURONBFS-IUODEOHRSA-N 2 1 346.504 1.934 20 30 EDEDMP C[NH+]=C(NCc1nc(C(F)(F)F)cs1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000262502261 443198627 /nfs/dbraw/zinc/19/86/27/443198627.db2.gz KTEDTDMSDXDEEN-VIFPVBQESA-N 2 1 335.399 1.779 20 30 EDEDMP CCN1CC[NH+](Cc2ccccc2CNC(NC2CC2)=[NH+]C)CC1 ZINC000264024402 443245481 /nfs/dbraw/zinc/24/54/81/443245481.db2.gz ASDHRUXNOQWRBH-UHFFFAOYSA-N 2 1 329.492 1.652 20 30 EDEDMP CC(C)CNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264103804 443248665 /nfs/dbraw/zinc/24/86/65/443248665.db2.gz OVSQQZDWYLLNBM-SFHVURJKSA-N 2 1 331.508 1.926 20 30 EDEDMP CC(C)CNC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000264103804 443248674 /nfs/dbraw/zinc/24/86/74/443248674.db2.gz OVSQQZDWYLLNBM-SFHVURJKSA-N 2 1 331.508 1.926 20 30 EDEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Sc1ccccc1 ZINC000267456635 443463983 /nfs/dbraw/zinc/46/39/83/443463983.db2.gz TVHAGWXVCPYFMP-OAHLLOKOSA-N 2 1 336.505 1.794 20 30 EDEDMP C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C[NH+]1CCOCC1 ZINC000304744992 444252336 /nfs/dbraw/zinc/25/23/36/444252336.db2.gz DXODPXLUEDHMBS-GOEBONIOSA-N 2 1 332.448 1.383 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(-c2nc[nH]n2)c1 ZINC000304751003 444252459 /nfs/dbraw/zinc/25/24/59/444252459.db2.gz IVFZRYVUVZSBEM-HNNXBMFYSA-N 2 1 327.436 1.360 20 30 EDEDMP N#CCc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000332122209 444501820 /nfs/dbraw/zinc/50/18/20/444501820.db2.gz LREGTIUZZOAOJC-UHFFFAOYSA-N 2 1 329.444 1.412 20 30 EDEDMP C[C@H](O)[C@H]1C[C@@H](C)CC[NH+]1CC#CC[N@@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000342153837 444538262 /nfs/dbraw/zinc/53/82/62/444538262.db2.gz CJUHZASVLZBAOR-APNJTCTJSA-N 2 1 336.520 1.952 20 30 EDEDMP C[C@H](O)[C@H]1C[C@@H](C)CC[N@H+]1CC#CC[NH+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000342153837 444538266 /nfs/dbraw/zinc/53/82/66/444538266.db2.gz CJUHZASVLZBAOR-APNJTCTJSA-N 2 1 336.520 1.952 20 30 EDEDMP C[C@H](O)[C@H]1C[C@@H](C)CC[N@@H+]1CC#CC[NH+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000342153837 444538271 /nfs/dbraw/zinc/53/82/71/444538271.db2.gz CJUHZASVLZBAOR-APNJTCTJSA-N 2 1 336.520 1.952 20 30 EDEDMP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000330189012 444878819 /nfs/dbraw/zinc/87/88/19/444878819.db2.gz LNQMMJRLGAPEFU-INIZCTEOSA-N 2 1 347.463 1.156 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000357814287 445583866 /nfs/dbraw/zinc/58/38/66/445583866.db2.gz CADCVMBPIBDYAG-SOLBZPMBSA-N 2 1 337.508 1.887 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000374314068 446362016 /nfs/dbraw/zinc/36/20/16/446362016.db2.gz VXPNWARKLFPEET-OALUTQOASA-N 2 1 325.456 1.546 20 30 EDEDMP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367309818 446535791 /nfs/dbraw/zinc/53/57/91/446535791.db2.gz KYGHXLPUWHLENS-HOTGVXAUSA-N 2 1 332.492 1.943 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(CC#N)CC1 ZINC000431206964 447793613 /nfs/dbraw/zinc/79/36/13/447793613.db2.gz LWIYZZMYJMSWME-MRXNPFEDSA-N 2 1 335.496 1.738 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000491742324 448097377 /nfs/dbraw/zinc/09/73/77/448097377.db2.gz WRCBPIPCXTZFHQ-IRXDYDNUSA-N 2 1 334.508 1.894 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000491742324 448097383 /nfs/dbraw/zinc/09/73/83/448097383.db2.gz WRCBPIPCXTZFHQ-IRXDYDNUSA-N 2 1 334.508 1.894 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000491742324 448097388 /nfs/dbraw/zinc/09/73/88/448097388.db2.gz WRCBPIPCXTZFHQ-IRXDYDNUSA-N 2 1 334.508 1.894 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000491778195 448118433 /nfs/dbraw/zinc/11/84/33/448118433.db2.gz HENOJVDJFSDBTF-QGZVFWFLSA-N 2 1 335.473 1.256 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000491778195 448118437 /nfs/dbraw/zinc/11/84/37/448118437.db2.gz HENOJVDJFSDBTF-QGZVFWFLSA-N 2 1 335.473 1.256 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000573236650 448577986 /nfs/dbraw/zinc/57/79/86/448577986.db2.gz HSWGSHUILMYJQV-HNNXBMFYSA-N 2 1 334.416 1.395 20 30 EDEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000578885494 448663702 /nfs/dbraw/zinc/66/37/02/448663702.db2.gz CFSAMRVCZRYXCU-SJLPKXTDSA-N 2 1 343.475 1.334 20 30 EDEDMP OC1([C@@H]2CCCC[NH+]2CC#CC[N@@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000568601531 448893410 /nfs/dbraw/zinc/89/34/10/448893410.db2.gz YWJMYJJKUNQQQY-ROUUACIJSA-N 2 1 332.488 1.749 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000530231057 449089639 /nfs/dbraw/zinc/08/96/39/449089639.db2.gz LXHZNIQQRUYAFU-GOSISDBHSA-N 2 1 329.444 1.928 20 30 EDEDMP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000598723101 449564032 /nfs/dbraw/zinc/56/40/32/449564032.db2.gz DUYVINVHMHHXPR-ROUUACIJSA-N 2 1 331.460 1.644 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2ccnc2)c(F)c1 ZINC000264106116 535549332 /nfs/dbraw/zinc/54/93/32/535549332.db2.gz PLNYIZKZCICMHN-OAHLLOKOSA-N 2 1 344.438 1.900 20 30 EDEDMP COc1ccc(C#N)cc1CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000779654712 580493477 /nfs/dbraw/zinc/49/34/77/580493477.db2.gz QNOREUZCBLXCBW-MRXNPFEDSA-N 2 1 332.404 1.675 20 30 EDEDMP COc1ccc(C#N)cc1CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000779654712 580493478 /nfs/dbraw/zinc/49/34/78/580493478.db2.gz QNOREUZCBLXCBW-MRXNPFEDSA-N 2 1 332.404 1.675 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)CC1 ZINC000780385600 580520852 /nfs/dbraw/zinc/52/08/52/580520852.db2.gz SDCLJMNMOJDGHH-KGLIPLIRSA-N 2 1 331.382 1.427 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)CC1 ZINC000780385600 580520853 /nfs/dbraw/zinc/52/08/53/580520853.db2.gz SDCLJMNMOJDGHH-KGLIPLIRSA-N 2 1 331.382 1.427 20 30 EDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1)C2 ZINC000884278204 598052815 /nfs/dbraw/zinc/05/28/15/598052815.db2.gz GAWVICCOCUTCFE-HLCARVAJSA-N 2 1 342.418 1.438 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993990096 696484070 /nfs/dbraw/zinc/48/40/70/696484070.db2.gz QHYPNPFLSWLLGM-RDJZCZTQSA-N 2 1 331.464 1.051 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)C1 ZINC000941596207 701587582 /nfs/dbraw/zinc/58/75/82/701587582.db2.gz XGIUDXAZZLIHBQ-LJQANCHMSA-N 2 1 348.535 1.654 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000941596207 701587583 /nfs/dbraw/zinc/58/75/83/701587583.db2.gz XGIUDXAZZLIHBQ-LJQANCHMSA-N 2 1 348.535 1.654 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941602820 701593253 /nfs/dbraw/zinc/59/32/53/701593253.db2.gz AGUBGXZHEAOWFO-IEBWSBKVSA-N 2 1 346.519 1.408 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)C1 ZINC000941437351 701540445 /nfs/dbraw/zinc/54/04/45/701540445.db2.gz YYSZKDYRPNUHOL-KRWDZBQOSA-N 2 1 343.475 1.165 20 30 EDEDMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031977183 702014465 /nfs/dbraw/zinc/01/44/65/702014465.db2.gz AIPGBOLRFQYOTC-RDTXWAMCSA-N 2 1 326.444 1.304 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031977183 702014470 /nfs/dbraw/zinc/01/44/70/702014470.db2.gz AIPGBOLRFQYOTC-RDTXWAMCSA-N 2 1 326.444 1.304 20 30 EDEDMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031977182 702014599 /nfs/dbraw/zinc/01/45/99/702014599.db2.gz AIPGBOLRFQYOTC-KSSFIOAISA-N 2 1 326.444 1.304 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031977182 702014603 /nfs/dbraw/zinc/01/46/03/702014603.db2.gz AIPGBOLRFQYOTC-KSSFIOAISA-N 2 1 326.444 1.304 20 30 EDEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1(C)C ZINC000995891805 702190529 /nfs/dbraw/zinc/19/05/29/702190529.db2.gz DKEAYBMECYTVIT-IRXDYDNUSA-N 2 1 335.492 1.642 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058646 702510186 /nfs/dbraw/zinc/51/01/86/702510186.db2.gz ZRPYBKHMWATILL-JKSUJKDBSA-N 2 1 333.480 1.461 20 30 EDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC[C@@H]2C1 ZINC000946591510 704193484 /nfs/dbraw/zinc/19/34/84/704193484.db2.gz WSBOCGYOJFLDHN-HCXYKTFWSA-N 2 1 329.488 1.664 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591510 704193485 /nfs/dbraw/zinc/19/34/85/704193485.db2.gz WSBOCGYOJFLDHN-HCXYKTFWSA-N 2 1 329.488 1.664 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946591510 704193487 /nfs/dbraw/zinc/19/34/87/704193487.db2.gz WSBOCGYOJFLDHN-HCXYKTFWSA-N 2 1 329.488 1.664 20 30 EDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997735177 704627635 /nfs/dbraw/zinc/62/76/35/704627635.db2.gz MTABRUKLWDGVAF-MAUKXSAKSA-N 2 1 342.487 1.994 20 30 EDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997747532 704645150 /nfs/dbraw/zinc/64/51/50/704645150.db2.gz JAMAAELQZUMLRC-YJBOKZPZSA-N 2 1 342.487 1.994 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000998722057 706153496 /nfs/dbraw/zinc/15/34/96/706153496.db2.gz NVSQBQMHZYITQN-ROUUACIJSA-N 2 1 326.444 1.733 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000999397837 706891805 /nfs/dbraw/zinc/89/18/05/706891805.db2.gz MIMXHBDWJVQKFH-MSOLQXFVSA-N 2 1 326.444 1.260 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000999397837 706891808 /nfs/dbraw/zinc/89/18/08/706891808.db2.gz MIMXHBDWJVQKFH-MSOLQXFVSA-N 2 1 326.444 1.260 20 30 EDEDMP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999512787 707011374 /nfs/dbraw/zinc/01/13/74/707011374.db2.gz RELKQGRUUVHQIQ-KGLIPLIRSA-N 2 1 344.297 1.960 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001034663823 710333142 /nfs/dbraw/zinc/33/31/42/710333142.db2.gz LHDTUKIMNPMBEU-ZOBUZTSGSA-N 2 1 346.500 1.758 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001034663823 710333145 /nfs/dbraw/zinc/33/31/45/710333145.db2.gz LHDTUKIMNPMBEU-ZOBUZTSGSA-N 2 1 346.500 1.758 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC001034664859 710334360 /nfs/dbraw/zinc/33/43/60/710334360.db2.gz UDCRHOARLISREX-FHWLQOOXSA-N 2 1 340.471 1.696 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC001034664859 710334361 /nfs/dbraw/zinc/33/43/61/710334361.db2.gz UDCRHOARLISREX-FHWLQOOXSA-N 2 1 340.471 1.696 20 30 EDEDMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001003626959 710457092 /nfs/dbraw/zinc/45/70/92/710457092.db2.gz YLMDFQTXWQZGFQ-INIZCTEOSA-N 2 1 340.471 1.981 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004574774 712001442 /nfs/dbraw/zinc/00/14/42/712001442.db2.gz DIGQELQMNZKUJI-LJQANCHMSA-N 2 1 347.503 1.435 20 30 EDEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004574774 712001443 /nfs/dbraw/zinc/00/14/43/712001443.db2.gz DIGQELQMNZKUJI-LJQANCHMSA-N 2 1 347.503 1.435 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375905647 250281957 /nfs/dbraw/zinc/28/19/57/250281957.db2.gz NEDPEXPEHLUICV-RBUKOAKNSA-N 2 1 348.535 1.676 20 30 EDEDMP C[C@H](CCC[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418703550 251387915 /nfs/dbraw/zinc/38/79/15/251387915.db2.gz LWLFLKPFMMHVHR-MRXNPFEDSA-N 2 1 343.475 1.903 20 30 EDEDMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424141708 252139292 /nfs/dbraw/zinc/13/92/92/252139292.db2.gz HOXTTYFQXPRYGW-MSOLQXFVSA-N 2 1 328.460 1.988 20 30 EDEDMP N#Cc1ncn(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000367520759 154159601 /nfs/dbraw/zinc/15/96/01/154159601.db2.gz YPDGBIDJCFHKBV-RCCFBDPRSA-N 2 1 336.443 1.650 20 30 EDEDMP N#Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3C(N)=O)CC2)cc1 ZINC000302010120 270011406 /nfs/dbraw/zinc/01/14/06/270011406.db2.gz CAQILQGVAFQIII-UHFFFAOYSA-N 2 1 335.411 1.764 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3C(N)=O)CC2)cc1 ZINC000302010120 270011407 /nfs/dbraw/zinc/01/14/07/270011407.db2.gz CAQILQGVAFQIII-UHFFFAOYSA-N 2 1 335.411 1.764 20 30 EDEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCc1ccc(C#N)s1 ZINC000422221294 447409605 /nfs/dbraw/zinc/40/96/05/447409605.db2.gz YCSVFFOZXYXNHR-UHFFFAOYSA-N 2 1 349.504 1.787 20 30 EDEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(C#N)s1 ZINC000422221294 447409611 /nfs/dbraw/zinc/40/96/11/447409611.db2.gz YCSVFFOZXYXNHR-UHFFFAOYSA-N 2 1 349.504 1.787 20 30 EDEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)Cc1ccc(Cl)cc1 ZINC000088751384 441518938 /nfs/dbraw/zinc/51/89/38/441518938.db2.gz ZLNWYKJMEWGUAX-MRXNPFEDSA-N 2 1 337.899 1.593 20 30 EDEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261855226 443172906 /nfs/dbraw/zinc/17/29/06/443172906.db2.gz YOVMLNPYXYXQLR-BXUZGUMPSA-N 2 1 332.477 1.544 20 30 EDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262831705 443213807 /nfs/dbraw/zinc/21/38/07/443213807.db2.gz VBKFMOFDDPKSKQ-WBVHZDCISA-N 2 1 345.491 1.533 20 30 EDEDMP C=CCOc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267436056 443457025 /nfs/dbraw/zinc/45/70/25/443457025.db2.gz NTJKREJGJPHXDP-UHFFFAOYSA-N 2 1 332.448 1.378 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](c1ccccc1)C1CC1 ZINC000292253606 443786405 /nfs/dbraw/zinc/78/64/05/443786405.db2.gz DTRRLYNQYOARSJ-GOSISDBHSA-N 2 1 330.476 1.807 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OC(F)F)c1 ZINC000284182844 443768777 /nfs/dbraw/zinc/76/87/77/443768777.db2.gz XSZULPZOTNALGC-LBPRGKRZSA-N 2 1 327.379 1.572 20 30 EDEDMP COc1ccccc1CNC(=[NH2+])NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000277487988 443992922 /nfs/dbraw/zinc/99/29/22/443992922.db2.gz UUJVQCOTNSOWAO-OAHLLOKOSA-N 2 1 334.464 1.600 20 30 EDEDMP CN(CCC[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000565048788 321167191 /nfs/dbraw/zinc/16/71/91/321167191.db2.gz MRSQAOQFEHINON-UHFFFAOYSA-N 2 1 333.436 1.782 20 30 EDEDMP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000565048788 321167193 /nfs/dbraw/zinc/16/71/93/321167193.db2.gz MRSQAOQFEHINON-UHFFFAOYSA-N 2 1 333.436 1.782 20 30 EDEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289483922 444155825 /nfs/dbraw/zinc/15/58/25/444155825.db2.gz SAOAXYQFSLGNQS-INIZCTEOSA-N 2 1 345.491 1.701 20 30 EDEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303239382 444235268 /nfs/dbraw/zinc/23/52/68/444235268.db2.gz AEUYBOPLGPEXKA-HOTGVXAUSA-N 2 1 338.496 1.019 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000297465948 444289213 /nfs/dbraw/zinc/28/92/13/444289213.db2.gz NKZAMBUMRBFZHS-UHFFFAOYSA-N 2 1 330.476 1.763 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000297465948 444289214 /nfs/dbraw/zinc/28/92/14/444289214.db2.gz NKZAMBUMRBFZHS-UHFFFAOYSA-N 2 1 330.476 1.763 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000297465948 444289215 /nfs/dbraw/zinc/28/92/15/444289215.db2.gz NKZAMBUMRBFZHS-UHFFFAOYSA-N 2 1 330.476 1.763 20 30 EDEDMP CC(C)[NH2+]C1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000330742319 445121349 /nfs/dbraw/zinc/12/13/49/445121349.db2.gz PZWZRJDWRWDVBR-QGZVFWFLSA-N 2 1 340.512 1.720 20 30 EDEDMP C[C@H]1C[N@H+](CCOc2ccccc2C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362701035 445507772 /nfs/dbraw/zinc/50/77/72/445507772.db2.gz DYXHRVCULTXBLF-PKOBYXMFSA-N 2 1 342.487 1.895 20 30 EDEDMP C[C@H]1C[N@@H+](CCOc2ccccc2C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362701035 445507775 /nfs/dbraw/zinc/50/77/75/445507775.db2.gz DYXHRVCULTXBLF-PKOBYXMFSA-N 2 1 342.487 1.895 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000370017368 446174296 /nfs/dbraw/zinc/17/42/96/446174296.db2.gz JMLMAENTZHJGKB-IBGZPJMESA-N 2 1 340.471 1.650 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000370017368 446174299 /nfs/dbraw/zinc/17/42/99/446174299.db2.gz JMLMAENTZHJGKB-IBGZPJMESA-N 2 1 340.471 1.650 20 30 EDEDMP C[C@H]1C[N@@H+](CCCNCc2cnc3ccc(C#N)cn23)CCCO1 ZINC000432361531 446462173 /nfs/dbraw/zinc/46/21/73/446462173.db2.gz YMTATICLKYCPHR-HNNXBMFYSA-N 2 1 327.432 1.796 20 30 EDEDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cnc3ccc(C#N)cn23)CCCO1 ZINC000432361531 446462188 /nfs/dbraw/zinc/46/21/88/446462188.db2.gz YMTATICLKYCPHR-HNNXBMFYSA-N 2 1 327.432 1.796 20 30 EDEDMP C(#CC[N@@H+]1CCOCC2(CCC2)C1)C[NH+]1CCOCC2(CCC2)C1 ZINC000367464250 446551014 /nfs/dbraw/zinc/55/10/14/446551014.db2.gz RADWZXYNFICKKM-UHFFFAOYSA-N 2 1 332.488 1.995 20 30 EDEDMP C(#CC[N@H+]1CCOCC2(CCC2)C1)C[NH+]1CCOCC2(CCC2)C1 ZINC000367464250 446551019 /nfs/dbraw/zinc/55/10/19/446551019.db2.gz RADWZXYNFICKKM-UHFFFAOYSA-N 2 1 332.488 1.995 20 30 EDEDMP C=CCC[C@@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451540857 447738626 /nfs/dbraw/zinc/73/86/26/447738626.db2.gz XROZGNVZWLIOHA-RTBURBONSA-N 2 1 337.508 1.580 20 30 EDEDMP C=CCC[C@@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451540857 447738629 /nfs/dbraw/zinc/73/86/29/447738629.db2.gz XROZGNVZWLIOHA-RTBURBONSA-N 2 1 337.508 1.580 20 30 EDEDMP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451540857 447738634 /nfs/dbraw/zinc/73/86/34/447738634.db2.gz XROZGNVZWLIOHA-RTBURBONSA-N 2 1 337.508 1.580 20 30 EDEDMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451540857 447738637 /nfs/dbraw/zinc/73/86/37/447738637.db2.gz XROZGNVZWLIOHA-RTBURBONSA-N 2 1 337.508 1.580 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CC1 ZINC000422974979 447785407 /nfs/dbraw/zinc/78/54/07/447785407.db2.gz FVNJGAPXEFCLBW-MRXNPFEDSA-N 3 1 337.508 1.938 20 30 EDEDMP CC[NH2+]CCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000573942418 448753363 /nfs/dbraw/zinc/75/33/63/448753363.db2.gz VJBRITFOOUGAKQ-UHFFFAOYSA-N 2 1 343.475 1.775 20 30 EDEDMP COc1cc(C#N)ccc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603240746 450169900 /nfs/dbraw/zinc/16/99/00/450169900.db2.gz KDZJIGJDRSTMKN-UHFFFAOYSA-N 2 1 340.431 1.172 20 30 EDEDMP C=CC[C@]1(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCC[NH2+]1 ZINC000662789863 453523685 /nfs/dbraw/zinc/52/36/85/453523685.db2.gz DVVPJUIHKZXIOV-PKOBYXMFSA-N 2 1 334.508 1.313 20 30 EDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)C1 ZINC000104179662 528254212 /nfs/dbraw/zinc/25/42/12/528254212.db2.gz HCQQSNJHHFSREL-MRXNPFEDSA-N 2 1 348.491 1.883 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC#C[C@H]1CCCCO1 ZINC000895665807 591246643 /nfs/dbraw/zinc/24/66/43/591246643.db2.gz GWBSFBILANVITF-DLBZAZTESA-N 2 1 338.496 1.130 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC#C[C@H]1CCCCO1 ZINC000895665807 591246644 /nfs/dbraw/zinc/24/66/44/591246644.db2.gz GWBSFBILANVITF-DLBZAZTESA-N 2 1 338.496 1.130 20 30 EDEDMP CC(C)C[NH+]=C(NC[C@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000912509637 593101457 /nfs/dbraw/zinc/10/14/57/593101457.db2.gz MUUHEZXOXABZKP-INIZCTEOSA-N 2 1 325.545 1.860 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000854663694 596154010 /nfs/dbraw/zinc/15/40/10/596154010.db2.gz DAJLXSYKXWCBFJ-LJQANCHMSA-N 2 1 327.472 1.937 20 30 EDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000876765497 597329357 /nfs/dbraw/zinc/32/93/57/597329357.db2.gz SGXUMNSGOULAAZ-AEGPPILISA-N 2 1 331.888 1.710 20 30 EDEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879124745 597826862 /nfs/dbraw/zinc/82/68/62/597826862.db2.gz BQVIDNCYAXBTSI-INIZCTEOSA-N 2 1 338.496 1.285 20 30 EDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC000992855701 695416215 /nfs/dbraw/zinc/41/62/15/695416215.db2.gz KMKJGBCQRFLORQ-OKZBNKHCSA-N 2 1 335.492 1.502 20 30 EDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC000992855695 695416320 /nfs/dbraw/zinc/41/63/20/695416320.db2.gz KMKJGBCQRFLORQ-FGTMMUONSA-N 2 1 335.492 1.502 20 30 EDEDMP C#CCN(C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)C1CC[NH+](C)CC1 ZINC000916865396 696800874 /nfs/dbraw/zinc/80/08/74/696800874.db2.gz OTYAJICTCAESMN-KRWDZBQOSA-N 2 1 334.508 1.846 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H](O)C3CCCCC3)C2)CC1 ZINC001031435297 697103278 /nfs/dbraw/zinc/10/32/78/697103278.db2.gz WYZYVSCZXARGDT-LJQANCHMSA-N 2 1 347.503 1.073 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943515119 698429154 /nfs/dbraw/zinc/42/91/54/698429154.db2.gz GLUZIJIZLOSYQG-SJLPKXTDSA-N 2 1 347.507 1.851 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000939748150 699894713 /nfs/dbraw/zinc/89/47/13/699894713.db2.gz NWQZZXHOJTYZMG-KDOFPFPSSA-N 2 1 337.427 1.700 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nocc3C)C2)CC1 ZINC000939812935 699960405 /nfs/dbraw/zinc/96/04/05/699960405.db2.gz WUDCISPHESNFIT-RDTXWAMCSA-N 2 1 344.459 1.265 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091520 701135280 /nfs/dbraw/zinc/13/52/80/701135280.db2.gz VRDBMAGMKVMKDY-QGZVFWFLSA-N 2 1 345.491 1.298 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000941437014 701540305 /nfs/dbraw/zinc/54/03/05/701540305.db2.gz OKXUTAIURPALEN-IBGZPJMESA-N 2 1 346.519 1.408 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)C1 ZINC000941437014 701540306 /nfs/dbraw/zinc/54/03/06/701540306.db2.gz OKXUTAIURPALEN-IBGZPJMESA-N 2 1 346.519 1.408 20 30 EDEDMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC000997187977 703477613 /nfs/dbraw/zinc/47/76/13/703477613.db2.gz YFSRPIKYOLIWDI-MRXNPFEDSA-N 2 1 340.471 1.981 20 30 EDEDMP Cc1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1C#N ZINC000922758473 704317446 /nfs/dbraw/zinc/31/74/46/704317446.db2.gz CCYJLTUJRNEGDB-UHFFFAOYSA-N 2 1 336.443 1.698 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004456428 704449902 /nfs/dbraw/zinc/44/99/02/704449902.db2.gz GLBVQYIFBZVDJG-MOPGFXCFSA-N 2 1 347.503 1.169 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001004456428 704449903 /nfs/dbraw/zinc/44/99/03/704449903.db2.gz GLBVQYIFBZVDJG-MOPGFXCFSA-N 2 1 347.503 1.169 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCCO)CC1 ZINC001004456428 704449904 /nfs/dbraw/zinc/44/99/04/704449904.db2.gz GLBVQYIFBZVDJG-MOPGFXCFSA-N 2 1 347.503 1.169 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCCO)CC1 ZINC001004456428 704449905 /nfs/dbraw/zinc/44/99/05/704449905.db2.gz GLBVQYIFBZVDJG-MOPGFXCFSA-N 2 1 347.503 1.169 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC000998794694 706241680 /nfs/dbraw/zinc/24/16/80/706241680.db2.gz DVGZEQYYQNSKSF-YOODTLSXSA-N 2 1 340.471 1.977 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N(C)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999125127 706549738 /nfs/dbraw/zinc/54/97/38/706549738.db2.gz HASORJARJXJCBM-UHFFFAOYSA-N 2 1 337.427 1.842 20 30 EDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731278 707267679 /nfs/dbraw/zinc/26/76/79/707267679.db2.gz JXEVCMIFEAOPQO-CEXWTWQISA-N 2 1 347.503 1.289 20 30 EDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731278 707267684 /nfs/dbraw/zinc/26/76/84/707267684.db2.gz JXEVCMIFEAOPQO-CEXWTWQISA-N 2 1 347.503 1.289 20 30 EDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731278 707267686 /nfs/dbraw/zinc/26/76/86/707267686.db2.gz JXEVCMIFEAOPQO-CEXWTWQISA-N 2 1 347.503 1.289 20 30 EDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731278 707267691 /nfs/dbraw/zinc/26/76/91/707267691.db2.gz JXEVCMIFEAOPQO-CEXWTWQISA-N 2 1 347.503 1.289 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706184 707516244 /nfs/dbraw/zinc/51/62/44/707516244.db2.gz WPNNOJWLMIEVAC-QZTJIDSGSA-N 2 1 335.492 1.432 20 30 EDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706184 707516247 /nfs/dbraw/zinc/51/62/47/707516247.db2.gz WPNNOJWLMIEVAC-QZTJIDSGSA-N 2 1 335.492 1.432 20 30 EDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000948706184 707516250 /nfs/dbraw/zinc/51/62/50/707516250.db2.gz WPNNOJWLMIEVAC-QZTJIDSGSA-N 2 1 335.492 1.432 20 30 EDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000948706184 707516252 /nfs/dbraw/zinc/51/62/52/707516252.db2.gz WPNNOJWLMIEVAC-QZTJIDSGSA-N 2 1 335.492 1.432 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033659275 708471175 /nfs/dbraw/zinc/47/11/75/708471175.db2.gz CTKGOQXAZFMINZ-SJORKVTESA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001033659275 708471177 /nfs/dbraw/zinc/47/11/77/708471177.db2.gz CTKGOQXAZFMINZ-SJORKVTESA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001033659275 708471179 /nfs/dbraw/zinc/47/11/79/708471179.db2.gz CTKGOQXAZFMINZ-SJORKVTESA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC001033659275 708471181 /nfs/dbraw/zinc/47/11/81/708471181.db2.gz CTKGOQXAZFMINZ-SJORKVTESA-N 2 1 344.434 1.682 20 30 EDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034364236 709882786 /nfs/dbraw/zinc/88/27/86/709882786.db2.gz KAGILCNERXKCOY-DLBZAZTESA-N 2 1 328.460 1.748 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034364236 709882791 /nfs/dbraw/zinc/88/27/91/709882791.db2.gz KAGILCNERXKCOY-DLBZAZTESA-N 2 1 328.460 1.748 20 30 EDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034395039 709932040 /nfs/dbraw/zinc/93/20/40/709932040.db2.gz UJQKMLGQNMMTES-SJORKVTESA-N 2 1 328.460 1.748 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034395039 709932043 /nfs/dbraw/zinc/93/20/43/709932043.db2.gz UJQKMLGQNMMTES-SJORKVTESA-N 2 1 328.460 1.748 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001034526587 710179279 /nfs/dbraw/zinc/17/92/79/710179279.db2.gz ZNGCHPPBBLODJG-RBUKOAKNSA-N 2 1 340.471 1.981 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001034526587 710179282 /nfs/dbraw/zinc/17/92/82/710179282.db2.gz ZNGCHPPBBLODJG-RBUKOAKNSA-N 2 1 340.471 1.981 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001034526587 710179285 /nfs/dbraw/zinc/17/92/85/710179285.db2.gz ZNGCHPPBBLODJG-RBUKOAKNSA-N 2 1 340.471 1.981 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001034664201 710333708 /nfs/dbraw/zinc/33/37/08/710333708.db2.gz YICGKFUEPARXQZ-VJANTYMQSA-N 2 1 347.503 1.528 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001034664201 710333710 /nfs/dbraw/zinc/33/37/10/710333710.db2.gz YICGKFUEPARXQZ-VJANTYMQSA-N 2 1 347.503 1.528 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@@H]2C1 ZINC000946680740 712375789 /nfs/dbraw/zinc/37/57/89/712375789.db2.gz BAWRECCBGCOQTQ-CALCHBBNSA-N 2 1 340.471 1.566 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC[C@@H]2C1 ZINC000946680740 712375791 /nfs/dbraw/zinc/37/57/91/712375791.db2.gz BAWRECCBGCOQTQ-CALCHBBNSA-N 2 1 340.471 1.566 20 30 EDEDMP C=CCNC(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000066245647 215026792 /nfs/dbraw/zinc/02/67/92/215026792.db2.gz LGTNCDQVGMKKND-UHFFFAOYSA-N 2 1 325.457 1.020 20 30 EDEDMP C[NH+]1CCN([C@H]2CCCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000245520115 139077833 /nfs/dbraw/zinc/07/78/33/139077833.db2.gz JIUWLSJKORTSCO-VQTJNVASSA-N 2 1 342.487 1.694 20 30 EDEDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000245520115 139077834 /nfs/dbraw/zinc/07/78/34/139077834.db2.gz JIUWLSJKORTSCO-VQTJNVASSA-N 2 1 342.487 1.694 20 30 EDEDMP C[C@H]1C[NH+]=C(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)N1 ZINC000262679985 249322646 /nfs/dbraw/zinc/32/26/46/249322646.db2.gz VQPYNSQJHGTXFZ-HNNXBMFYSA-N 2 1 346.475 1.614 20 30 EDEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000519819183 270015534 /nfs/dbraw/zinc/01/55/34/270015534.db2.gz KQPVORDDYVODRY-IBGZPJMESA-N 2 1 328.460 1.491 20 30 EDEDMP C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)CN1CC[NH+](C)CC1 ZINC000083032502 441347739 /nfs/dbraw/zinc/34/77/39/441347739.db2.gz MGQMURQSWQMSEI-WBVHZDCISA-N 2 1 345.491 1.298 20 30 EDEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N[C@@H](C)c1cc2ccccc2o1 ZINC000088806243 441524407 /nfs/dbraw/zinc/52/44/07/441524407.db2.gz UPOUZKPIFXUTLB-HOCLYGCPSA-N 2 1 343.475 1.905 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1[C@@H]2CCc3ccccc3[C@H]12 ZINC000119574320 441942106 /nfs/dbraw/zinc/94/21/06/441942106.db2.gz XCELODAURDKHIO-OTWHNJEPSA-N 2 1 342.487 1.589 20 30 EDEDMP C[NH+]=C(NCc1ccco1)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000171410467 442346442 /nfs/dbraw/zinc/34/64/42/442346442.db2.gz SKYWQVYGWSJSSK-UHFFFAOYSA-N 2 1 342.447 1.292 20 30 EDEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@]1([NH+](C)C)CCSC1 ZINC000262751371 443210218 /nfs/dbraw/zinc/21/02/18/443210218.db2.gz CBXXJAPDUWBTGR-MRXNPFEDSA-N 2 1 338.525 1.139 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2cccc(F)c2)no1 ZINC000278607912 443377247 /nfs/dbraw/zinc/37/72/47/443377247.db2.gz VVIYDOIWWNHHIU-AWEZNQCLSA-N 2 1 346.410 1.764 20 30 EDEDMP Cc1[nH+]ccn1CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000570564081 321348082 /nfs/dbraw/zinc/34/80/82/321348082.db2.gz GJOXZWPZZVBGGM-UHFFFAOYSA-N 2 1 332.429 1.517 20 30 EDEDMP NC(=NOC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCCO1 ZINC000289439425 444144357 /nfs/dbraw/zinc/14/43/57/444144357.db2.gz TUAISZBONFCUMM-DLBZAZTESA-N 2 1 333.432 1.745 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000296453665 444230740 /nfs/dbraw/zinc/23/07/40/444230740.db2.gz VRFVDGQULODNHO-UHFFFAOYSA-N 2 1 346.475 1.381 20 30 EDEDMP CCN(CC)C(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303891440 444237608 /nfs/dbraw/zinc/23/76/08/444237608.db2.gz QRAXGFQAAXMGQG-UHFFFAOYSA-N 2 1 341.500 1.586 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN(c2ncccn2)C1 ZINC000305743421 444277301 /nfs/dbraw/zinc/27/73/01/444277301.db2.gz JTXYVNXHNDAIBL-HZPDHXFCSA-N 2 1 345.495 1.082 20 30 EDEDMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1C ZINC000329530437 444616773 /nfs/dbraw/zinc/61/67/73/444616773.db2.gz IUEBEIDZGOPODX-UKRRQHHQSA-N 2 1 334.468 1.316 20 30 EDEDMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1C ZINC000329530437 444616778 /nfs/dbraw/zinc/61/67/78/444616778.db2.gz IUEBEIDZGOPODX-UKRRQHHQSA-N 2 1 334.468 1.316 20 30 EDEDMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000329915448 444767217 /nfs/dbraw/zinc/76/72/17/444767217.db2.gz DAQKWFBAMBEMOR-CABCVRRESA-N 2 1 326.485 1.208 20 30 EDEDMP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000330741835 445121756 /nfs/dbraw/zinc/12/17/56/445121756.db2.gz PVFYTIJSOLKOHH-MRXNPFEDSA-N 2 1 325.501 1.000 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000362549523 445434062 /nfs/dbraw/zinc/43/40/62/445434062.db2.gz BZIXIYKIXIUHLK-MAUKXSAKSA-N 2 1 328.460 1.646 20 30 EDEDMP C[NH+](C)C/C=C/C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000369161269 445962423 /nfs/dbraw/zinc/96/24/23/445962423.db2.gz NYNLYCVGQINNME-HWKANZROSA-N 2 1 326.444 1.710 20 30 EDEDMP O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@@H+]3C[C@@H]4CC[C@H](O)C[C@H]4C3)C[C@H]2C1 ZINC000412047053 446808587 /nfs/dbraw/zinc/80/85/87/446808587.db2.gz OMNSOYDIKWWIJC-YUNYCSSDSA-N 2 1 332.488 1.175 20 30 EDEDMP O[C@@H]1CC[C@@H]2C[N@@H+](CC#CC[NH+]3C[C@@H]4CC[C@H](O)C[C@H]4C3)C[C@H]2C1 ZINC000412047053 446808595 /nfs/dbraw/zinc/80/85/95/446808595.db2.gz OMNSOYDIKWWIJC-YUNYCSSDSA-N 2 1 332.488 1.175 20 30 EDEDMP O[C@@H]1CC[C@@H]2C[N@H+](CC#CC[NH+]3C[C@@H]4CC[C@H](O)C[C@H]4C3)C[C@H]2C1 ZINC000412047053 446808601 /nfs/dbraw/zinc/80/86/01/446808601.db2.gz OMNSOYDIKWWIJC-YUNYCSSDSA-N 2 1 332.488 1.175 20 30 EDEDMP COc1cc(CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1C#N ZINC000440821478 446855829 /nfs/dbraw/zinc/85/58/29/446855829.db2.gz IZFYYBYYXNOECT-INIZCTEOSA-N 2 1 330.432 1.244 20 30 EDEDMP COc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1C#N ZINC000440821478 446855833 /nfs/dbraw/zinc/85/58/33/446855833.db2.gz IZFYYBYYXNOECT-INIZCTEOSA-N 2 1 330.432 1.244 20 30 EDEDMP COc1cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1C#N ZINC000440821478 446855836 /nfs/dbraw/zinc/85/58/36/446855836.db2.gz IZFYYBYYXNOECT-INIZCTEOSA-N 2 1 330.432 1.244 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CC1 ZINC000422974978 447785557 /nfs/dbraw/zinc/78/55/57/447785557.db2.gz FVNJGAPXEFCLBW-INIZCTEOSA-N 3 1 337.508 1.938 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000491494149 448043740 /nfs/dbraw/zinc/04/37/40/448043740.db2.gz AWJZDSMKULGCIT-UHFFFAOYSA-N 2 1 336.524 1.999 20 30 EDEDMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000572028567 448267533 /nfs/dbraw/zinc/26/75/33/448267533.db2.gz CMGCQXSJXZYXST-QZTJIDSGSA-N 2 1 331.460 1.814 20 30 EDEDMP N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000591726576 448474001 /nfs/dbraw/zinc/47/40/01/448474001.db2.gz QJLNUZZHTRUKIG-FGTMMUONSA-N 2 1 329.444 1.709 20 30 EDEDMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000592158452 448717929 /nfs/dbraw/zinc/71/79/29/448717929.db2.gz CJKWECNQFAKPPC-WMZOPIPTSA-N 2 1 343.475 1.334 20 30 EDEDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)CCCO1 ZINC000600736337 449525774 /nfs/dbraw/zinc/52/57/74/449525774.db2.gz XUYYHCAPVJVVLB-DLBZAZTESA-N 2 1 339.480 1.148 20 30 EDEDMP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H](Cc2ccccc2)C1 ZINC000594452297 449527593 /nfs/dbraw/zinc/52/75/93/449527593.db2.gz HHWGWXQXKGKGSX-ZWKOTPCHSA-N 2 1 328.460 1.783 20 30 EDEDMP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H](Cc2ccccc2)C1 ZINC000594452297 449527597 /nfs/dbraw/zinc/52/75/97/449527597.db2.gz HHWGWXQXKGKGSX-ZWKOTPCHSA-N 2 1 328.460 1.783 20 30 EDEDMP Cc1ccc(NCCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)[nH+]c1 ZINC000600727441 449521402 /nfs/dbraw/zinc/52/14/02/449521402.db2.gz IHNOVCHGSRIYDE-MRXNPFEDSA-N 2 1 332.448 1.853 20 30 EDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848415 449855457 /nfs/dbraw/zinc/85/54/57/449855457.db2.gz NGORMGQUXOADAF-HNNXBMFYSA-N 2 1 327.432 1.545 20 30 EDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848415 449855462 /nfs/dbraw/zinc/85/54/62/449855462.db2.gz NGORMGQUXOADAF-HNNXBMFYSA-N 2 1 327.432 1.545 20 30 EDEDMP N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000610091424 450138437 /nfs/dbraw/zinc/13/84/37/450138437.db2.gz VTBDETZKFFHUDO-MOPGFXCFSA-N 2 1 343.471 1.910 20 30 EDEDMP N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000610091424 450138438 /nfs/dbraw/zinc/13/84/38/450138438.db2.gz VTBDETZKFFHUDO-MOPGFXCFSA-N 2 1 343.471 1.910 20 30 EDEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508164 450195807 /nfs/dbraw/zinc/19/58/07/450195807.db2.gz UQGDVEWRFFUQGM-UYAOXDASSA-N 2 1 343.471 1.910 20 30 EDEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508164 450195811 /nfs/dbraw/zinc/19/58/11/450195811.db2.gz UQGDVEWRFFUQGM-UYAOXDASSA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508164 450195816 /nfs/dbraw/zinc/19/58/16/450195816.db2.gz UQGDVEWRFFUQGM-UYAOXDASSA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508164 450195823 /nfs/dbraw/zinc/19/58/23/450195823.db2.gz UQGDVEWRFFUQGM-UYAOXDASSA-N 2 1 343.471 1.910 20 30 EDEDMP C=CC[C@@]1(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CCC[NH2+]1 ZINC000662789860 453524755 /nfs/dbraw/zinc/52/47/55/453524755.db2.gz DVVPJUIHKZXIOV-HKUYNNGSSA-N 2 1 334.508 1.313 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004216 526600983 /nfs/dbraw/zinc/60/09/83/526600983.db2.gz WUHYOTASEGIGTB-ZIAGYGMSSA-N 2 1 333.436 1.075 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004216 526600989 /nfs/dbraw/zinc/60/09/89/526600989.db2.gz WUHYOTASEGIGTB-ZIAGYGMSSA-N 2 1 333.436 1.075 20 30 EDEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262450108 535263202 /nfs/dbraw/zinc/26/32/02/535263202.db2.gz JQIXSMKZFBVIQN-HOTGVXAUSA-N 2 1 332.496 1.517 20 30 EDEDMP CCN(CC)C(=[NH2+])NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000264088424 535389293 /nfs/dbraw/zinc/38/92/93/535389293.db2.gz KHDJLMLHFGYXEL-UHFFFAOYSA-N 2 1 331.464 1.231 20 30 EDEDMP N#CC1CCC(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000903445636 592173188 /nfs/dbraw/zinc/17/31/88/592173188.db2.gz MMCWYFLPCBRKBI-ZGUYJTEBSA-N 2 1 332.492 1.897 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000901242184 592301498 /nfs/dbraw/zinc/30/14/98/592301498.db2.gz XBBAOXCDXKUFQI-UHFFFAOYSA-N 2 1 336.524 1.511 20 30 EDEDMP N#Cc1cc(Cl)cc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000905840420 592652327 /nfs/dbraw/zinc/65/23/27/592652327.db2.gz WDSDUCMKRNQERX-UHFFFAOYSA-N 2 1 344.850 1.817 20 30 EDEDMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cn1 ZINC000848408833 595374403 /nfs/dbraw/zinc/37/44/03/595374403.db2.gz CDAMLUBPOPDUOQ-HNNXBMFYSA-N 2 1 326.404 1.603 20 30 EDEDMP CC[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000852858862 595579737 /nfs/dbraw/zinc/57/97/37/595579737.db2.gz JQHMOOKDPARPEG-FQEVSTJZSA-N 2 1 339.483 1.943 20 30 EDEDMP CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852883384 595596718 /nfs/dbraw/zinc/59/67/18/595596718.db2.gz JYVXFOODZQISOX-LJQANCHMSA-N 2 1 325.456 1.722 20 30 EDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000867969552 596638306 /nfs/dbraw/zinc/63/83/06/596638306.db2.gz OYNGSEVCCMMHOP-GOSISDBHSA-N 2 1 333.395 1.424 20 30 EDEDMP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876723258 597306409 /nfs/dbraw/zinc/30/64/09/597306409.db2.gz QWVSRQPHOVLARL-KDOFPFPSSA-N 2 1 326.444 1.593 20 30 EDEDMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876723258 597306413 /nfs/dbraw/zinc/30/64/13/597306413.db2.gz QWVSRQPHOVLARL-KDOFPFPSSA-N 2 1 326.444 1.593 20 30 EDEDMP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)C2(CO)CC2)c1)C1(CO)CC1 ZINC000878610484 597653887 /nfs/dbraw/zinc/65/38/87/597653887.db2.gz XHYDZMUHCKXHMQ-UHFFFAOYSA-N 2 1 329.444 1.472 20 30 EDEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC000992746470 695273343 /nfs/dbraw/zinc/27/33/43/695273343.db2.gz WYFCBFIZSDBKMG-FVQBIDKESA-N 2 1 332.448 1.753 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1(C)C ZINC000995845174 702126323 /nfs/dbraw/zinc/12/63/23/702126323.db2.gz IHCJURGGPBMFOS-JKSUJKDBSA-N 2 1 329.448 1.250 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1(C)C ZINC000995845174 702126325 /nfs/dbraw/zinc/12/63/25/702126325.db2.gz IHCJURGGPBMFOS-JKSUJKDBSA-N 2 1 329.448 1.250 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(OCC#N)cc3)C2)C1 ZINC001032182210 702189529 /nfs/dbraw/zinc/18/95/29/702189529.db2.gz HHDDMIVOBVJSKX-KRWDZBQOSA-N 2 1 342.443 1.089 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000995913879 702273469 /nfs/dbraw/zinc/27/34/69/702273469.db2.gz BCTGEHJJIDUQJN-JKSUJKDBSA-N 2 1 346.500 1.567 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000995913879 702273474 /nfs/dbraw/zinc/27/34/74/702273474.db2.gz BCTGEHJJIDUQJN-JKSUJKDBSA-N 2 1 346.500 1.567 20 30 EDEDMP C#CCN1CC[NH+](C2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000996789006 703081486 /nfs/dbraw/zinc/08/14/86/703081486.db2.gz JCPIGAZCJNCNJL-LMDPOFIKSA-N 2 1 346.519 1.149 20 30 EDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597683 704292508 /nfs/dbraw/zinc/29/25/08/704292508.db2.gz GIRMKLKTDZJNNX-MHORFTMASA-N 2 1 333.476 1.206 20 30 EDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597683 704292510 /nfs/dbraw/zinc/29/25/10/704292510.db2.gz GIRMKLKTDZJNNX-MHORFTMASA-N 2 1 333.476 1.206 20 30 EDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597683 704292514 /nfs/dbraw/zinc/29/25/14/704292514.db2.gz GIRMKLKTDZJNNX-MHORFTMASA-N 2 1 333.476 1.206 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942727 704794975 /nfs/dbraw/zinc/79/49/75/704794975.db2.gz CKUGUMIBRFTKBS-VQIMIIECSA-N 2 1 340.471 1.981 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000998064743 705274730 /nfs/dbraw/zinc/27/47/30/705274730.db2.gz AZTYFJUSISXZCX-SFANZJOMSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000998064743 705274734 /nfs/dbraw/zinc/27/47/34/705274734.db2.gz AZTYFJUSISXZCX-SFANZJOMSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](CCOC)CC2)CC1 ZINC000998197399 705502552 /nfs/dbraw/zinc/50/25/52/705502552.db2.gz LWCACCHOTQDEEY-IBGZPJMESA-N 2 1 349.519 1.681 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnccc2C)C1 ZINC000999394354 706888838 /nfs/dbraw/zinc/88/88/38/706888838.db2.gz COQXBAIGGAAHIA-MOPGFXCFSA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnccc2C)C1 ZINC000999394354 706888840 /nfs/dbraw/zinc/88/88/40/706888840.db2.gz COQXBAIGGAAHIA-MOPGFXCFSA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999390672 706903762 /nfs/dbraw/zinc/90/37/62/706903762.db2.gz GRQBENYNHNSSEP-ROUUACIJSA-N 2 1 344.434 1.399 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999390672 706903766 /nfs/dbraw/zinc/90/37/66/706903766.db2.gz GRQBENYNHNSSEP-ROUUACIJSA-N 2 1 344.434 1.399 20 30 EDEDMP C=C(Br)C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999405779 706914995 /nfs/dbraw/zinc/91/49/95/706914995.db2.gz IHWWNMCANMKANQ-HSBZDZAISA-N 2 1 344.297 1.958 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001033265690 707289992 /nfs/dbraw/zinc/28/99/92/707289992.db2.gz INVWTRZUZJQHNX-IBGZPJMESA-N 2 1 336.439 1.776 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999836715 707472192 /nfs/dbraw/zinc/47/21/92/707472192.db2.gz LGXHJYWZXDYXRA-UHFFFAOYSA-N 2 1 337.427 1.842 20 30 EDEDMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033391707 707724427 /nfs/dbraw/zinc/72/44/27/707724427.db2.gz WBEWVZXXJBVSIM-HNNXBMFYSA-N 2 1 346.500 1.994 20 30 EDEDMP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033391707 707724432 /nfs/dbraw/zinc/72/44/32/707724432.db2.gz WBEWVZXXJBVSIM-HNNXBMFYSA-N 2 1 346.500 1.994 20 30 EDEDMP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001033417905 707801428 /nfs/dbraw/zinc/80/14/28/707801428.db2.gz BFBZPVDKRJEVEH-CABCVRRESA-N 2 1 346.500 1.994 20 30 EDEDMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001033417905 707801432 /nfs/dbraw/zinc/80/14/32/707801432.db2.gz BFBZPVDKRJEVEH-CABCVRRESA-N 2 1 346.500 1.994 20 30 EDEDMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001033417905 707801434 /nfs/dbraw/zinc/80/14/34/707801434.db2.gz BFBZPVDKRJEVEH-CABCVRRESA-N 2 1 346.500 1.994 20 30 EDEDMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001033417905 707801438 /nfs/dbraw/zinc/80/14/38/707801438.db2.gz BFBZPVDKRJEVEH-CABCVRRESA-N 2 1 346.500 1.994 20 30 EDEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033837159 708866084 /nfs/dbraw/zinc/86/60/84/708866084.db2.gz LDNONUDDFCIEQB-INIZCTEOSA-N 2 1 333.480 1.557 20 30 EDEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034208307 709557096 /nfs/dbraw/zinc/55/70/96/709557096.db2.gz BDWVSSNBUJGBIC-INIZCTEOSA-N 2 1 333.480 1.605 20 30 EDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034242285 709628949 /nfs/dbraw/zinc/62/89/49/709628949.db2.gz WFYRRYCQCYTJCI-AEFFLSMTSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034242285 709628952 /nfs/dbraw/zinc/62/89/52/709628952.db2.gz WFYRRYCQCYTJCI-AEFFLSMTSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034242285 709628956 /nfs/dbraw/zinc/62/89/56/709628956.db2.gz WFYRRYCQCYTJCI-AEFFLSMTSA-N 2 1 333.476 1.234 20 30 EDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034242285 709628961 /nfs/dbraw/zinc/62/89/61/709628961.db2.gz WFYRRYCQCYTJCI-AEFFLSMTSA-N 2 1 333.476 1.234 20 30 EDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001034693817 710786189 /nfs/dbraw/zinc/78/61/89/710786189.db2.gz HUKIXRPIMCTVIO-JBWWOZQKSA-N 2 1 333.476 1.443 20 30 EDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]2C1 ZINC000946652282 712203622 /nfs/dbraw/zinc/20/36/22/712203622.db2.gz PXEOTBOJTIUNJJ-IYBDPMFKSA-N 2 1 344.459 1.544 20 30 EDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]2C1 ZINC000946652282 712203623 /nfs/dbraw/zinc/20/36/23/712203623.db2.gz PXEOTBOJTIUNJJ-IYBDPMFKSA-N 2 1 344.459 1.544 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)nc1 ZINC000115354775 203073334 /nfs/dbraw/zinc/07/33/34/203073334.db2.gz XBQYRVAETJMGKJ-KRWDZBQOSA-N 2 1 329.448 1.441 20 30 EDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000107371086 204235255 /nfs/dbraw/zinc/23/52/55/204235255.db2.gz NGWATEYDBLSZFQ-SFHVURJKSA-N 2 1 328.460 1.649 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc(-c2ccccc2)no1 ZINC000264091588 249333717 /nfs/dbraw/zinc/33/37/17/249333717.db2.gz LCBYTLLSBCFCFN-UHFFFAOYSA-N 2 1 343.431 1.468 20 30 EDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000350216221 250058729 /nfs/dbraw/zinc/05/87/29/250058729.db2.gz PGRJDPTWGODINN-WMZOPIPTSA-N 2 1 336.480 1.228 20 30 EDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000350216221 250058733 /nfs/dbraw/zinc/05/87/33/250058733.db2.gz PGRJDPTWGODINN-WMZOPIPTSA-N 2 1 336.480 1.228 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000358786352 250144177 /nfs/dbraw/zinc/14/41/77/250144177.db2.gz JLFFIKSKWDSUPV-KRWDZBQOSA-N 2 1 338.496 1.293 20 30 EDEDMP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000491386558 255124921 /nfs/dbraw/zinc/12/49/21/255124921.db2.gz VIOPWWDXHGGOIM-UHFFFAOYSA-N 2 1 342.487 1.053 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000491808918 255148326 /nfs/dbraw/zinc/14/83/26/255148326.db2.gz WUCIULGRHQKGIZ-UHFFFAOYSA-N 2 1 347.369 1.890 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000491808918 255148328 /nfs/dbraw/zinc/14/83/28/255148328.db2.gz WUCIULGRHQKGIZ-UHFFFAOYSA-N 2 1 347.369 1.890 20 30 EDEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nccnc1C#N ZINC000374197082 157190112 /nfs/dbraw/zinc/19/01/12/157190112.db2.gz BISSQJSKGXUMGZ-UHFFFAOYSA-N 2 1 342.491 1.981 20 30 EDEDMP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000528402324 268296135 /nfs/dbraw/zinc/29/61/35/268296135.db2.gz HJMCUNXLBKZMDA-SFHVURJKSA-N 2 1 338.411 1.515 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)n1C ZINC000448855361 447353484 /nfs/dbraw/zinc/35/34/84/447353484.db2.gz YDBUZMTVAKUNLB-INIZCTEOSA-N 2 1 331.464 1.385 20 30 EDEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083052262 441348594 /nfs/dbraw/zinc/34/85/94/441348594.db2.gz PGAFNMDRKKELQJ-GOEBONIOSA-N 2 1 332.448 1.525 20 30 EDEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cccs2)CC1 ZINC000158900751 441772453 /nfs/dbraw/zinc/77/24/53/441772453.db2.gz KHHKZICNLATDOF-OAHLLOKOSA-N 2 1 347.532 1.930 20 30 EDEDMP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000124632409 441940957 /nfs/dbraw/zinc/94/09/57/441940957.db2.gz JNQDEYIYAVIOJJ-SFHVURJKSA-N 2 1 328.460 1.933 20 30 EDEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129135302 442302901 /nfs/dbraw/zinc/30/29/01/442302901.db2.gz BEOWEWQGPAFRGI-AWEZNQCLSA-N 2 1 348.472 1.602 20 30 EDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000262831701 443213978 /nfs/dbraw/zinc/21/39/78/443213978.db2.gz VBKFMOFDDPKSKQ-RDJZCZTQSA-N 2 1 345.491 1.533 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCCC2=O)cc1 ZINC000264054181 443246323 /nfs/dbraw/zinc/24/63/23/443246323.db2.gz ABYZWHNVNNMKCR-KRWDZBQOSA-N 2 1 343.475 1.702 20 30 EDEDMP Cc1ccc([C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)N(C)C)cc1 ZINC000264120812 443249957 /nfs/dbraw/zinc/24/99/57/443249957.db2.gz UUAIGCJDPOKJRQ-GOSISDBHSA-N 2 1 347.507 1.224 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccn(-c2ccccc2)n1 ZINC000264318437 443260157 /nfs/dbraw/zinc/26/01/57/443260157.db2.gz WZNVSFNJZBGQQY-SFHVURJKSA-N 2 1 340.475 1.803 20 30 EDEDMP C=C(C)CNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267406131 443446523 /nfs/dbraw/zinc/44/65/23/443446523.db2.gz HAOGIYMFILASOZ-KRWDZBQOSA-N 2 1 343.475 1.364 20 30 EDEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000280576658 443737177 /nfs/dbraw/zinc/73/71/77/443737177.db2.gz HDUJWZVLNJWSSL-SJORKVTESA-N 2 1 331.464 1.299 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000293905923 444094171 /nfs/dbraw/zinc/09/41/71/444094171.db2.gz FSECBKYOFSGUSE-UHFFFAOYSA-N 2 1 327.472 1.970 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343779479 444585445 /nfs/dbraw/zinc/58/54/45/444585445.db2.gz ZUPHJKFDCJHESN-MSOLQXFVSA-N 2 1 348.535 1.676 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343779479 444585449 /nfs/dbraw/zinc/58/54/49/444585449.db2.gz ZUPHJKFDCJHESN-MSOLQXFVSA-N 2 1 348.535 1.676 20 30 EDEDMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1C ZINC000329530436 444617172 /nfs/dbraw/zinc/61/71/72/444617172.db2.gz IUEBEIDZGOPODX-DZGCQCFKSA-N 2 1 334.468 1.316 20 30 EDEDMP CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1C ZINC000329530436 444617178 /nfs/dbraw/zinc/61/71/78/444617178.db2.gz IUEBEIDZGOPODX-DZGCQCFKSA-N 2 1 334.468 1.316 20 30 EDEDMP CC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000330482407 444999638 /nfs/dbraw/zinc/99/96/38/444999638.db2.gz WWBLNMOAAYHUJK-INIZCTEOSA-N 2 1 326.485 1.331 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000366287363 446129677 /nfs/dbraw/zinc/12/96/77/446129677.db2.gz ICLMEMZTTGHJEI-ROUUACIJSA-N 2 1 333.476 1.091 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000370017370 446174848 /nfs/dbraw/zinc/17/48/48/446174848.db2.gz JMLMAENTZHJGKB-LJQANCHMSA-N 2 1 340.471 1.650 20 30 EDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000370017370 446174851 /nfs/dbraw/zinc/17/48/51/446174851.db2.gz JMLMAENTZHJGKB-LJQANCHMSA-N 2 1 340.471 1.650 20 30 EDEDMP CCN(CCC#N)C(=O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367210034 446522183 /nfs/dbraw/zinc/52/21/83/446522183.db2.gz YWVZVAFJGCOESZ-MRXNPFEDSA-N 2 1 332.492 1.945 20 30 EDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371266610 446726550 /nfs/dbraw/zinc/72/65/50/446726550.db2.gz OQGGKSOZRQZOPB-GOSISDBHSA-N 2 1 336.524 1.370 20 30 EDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371266610 446726558 /nfs/dbraw/zinc/72/65/58/446726558.db2.gz OQGGKSOZRQZOPB-GOSISDBHSA-N 2 1 336.524 1.370 20 30 EDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000568603638 448893723 /nfs/dbraw/zinc/89/37/23/448893723.db2.gz FVARIALQPLZCME-LJQANCHMSA-N 2 1 330.476 1.447 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000600083851 449179936 /nfs/dbraw/zinc/17/99/36/449179936.db2.gz XSWYZWLBKSPOLZ-UHFFFAOYSA-N 2 1 337.427 1.844 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000602579739 449685269 /nfs/dbraw/zinc/68/52/69/449685269.db2.gz BJUQIQFPVGSHJC-NXHRZFHOSA-N 2 1 328.460 1.892 20 30 EDEDMP C[N@H+]1CC[C@]2(C1)CCCN(CC(=O)NCc1cccc(C#N)c1)C2 ZINC000595506651 450193988 /nfs/dbraw/zinc/19/39/88/450193988.db2.gz FKZHCFAOPHJBOB-IBGZPJMESA-N 2 1 326.444 1.592 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654431501 452488440 /nfs/dbraw/zinc/48/84/40/452488440.db2.gz NTBIARGHMCUXAS-HRCADAONSA-N 2 1 338.496 1.434 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654431501 452488451 /nfs/dbraw/zinc/48/84/51/452488451.db2.gz NTBIARGHMCUXAS-HRCADAONSA-N 2 1 338.496 1.434 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1Cn1cncn1 ZINC000264071745 535550257 /nfs/dbraw/zinc/55/02/57/535550257.db2.gz DKTWHHJFEQYWMJ-QGZVFWFLSA-N 2 1 341.463 1.215 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000764292151 580117239 /nfs/dbraw/zinc/11/72/39/580117239.db2.gz JMSCOSMYMXLQAB-UHFFFAOYSA-N 2 1 344.503 1.558 20 30 EDEDMP C[NH+]1CCN(c2ccc(C=[NH+]NCCOCC(F)(F)F)cc2)CC1 ZINC000771558277 580288905 /nfs/dbraw/zinc/28/89/05/580288905.db2.gz ZBVRYBYBPNHBQZ-UHFFFAOYSA-N 2 1 344.381 1.941 20 30 EDEDMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCCN(O)C2=O)CC1 ZINC000895160550 591627135 /nfs/dbraw/zinc/62/71/35/591627135.db2.gz AKHLNZWWECQGEZ-QGZVFWFLSA-N 2 1 346.475 1.688 20 30 EDEDMP COc1ccc(C#N)cc1CONC(=[NH2+])[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807723 592063590 /nfs/dbraw/zinc/06/35/90/592063590.db2.gz OFSHARMHHGLRGE-GOEBONIOSA-N 2 1 330.388 1.429 20 30 EDEDMP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000903421020 592170568 /nfs/dbraw/zinc/17/05/68/592170568.db2.gz JPVBQONZGRQJGM-INIZCTEOSA-N 2 1 346.862 1.855 20 30 EDEDMP CCOCCC[NH+]=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC(C)(C)C ZINC000912499615 593100699 /nfs/dbraw/zinc/10/06/99/593100699.db2.gz VOTSDRSLYCAZPI-JKSUJKDBSA-N 2 1 340.512 1.610 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000838622863 593197267 /nfs/dbraw/zinc/19/72/67/593197267.db2.gz RGAKSSVSFRENQE-UHFFFAOYSA-N 2 1 330.476 1.845 20 30 EDEDMP C=CCN(CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O)C(C)C ZINC000839970419 593266052 /nfs/dbraw/zinc/26/60/52/593266052.db2.gz SUFZKJNAZONTCZ-HDICACEKSA-N 2 1 341.455 1.957 20 30 EDEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000834499867 595145526 /nfs/dbraw/zinc/14/55/26/595145526.db2.gz NQFBTUBOSSTYEB-UXLLHSPISA-N 2 1 330.407 1.265 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000852860802 595581762 /nfs/dbraw/zinc/58/17/62/595581762.db2.gz VGQHJWNTRUSTSL-LJQANCHMSA-N 2 1 325.456 1.770 20 30 EDEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852868622 595588452 /nfs/dbraw/zinc/58/84/52/595588452.db2.gz SYVUTHXAKWISTK-QGZVFWFLSA-N 2 1 325.456 1.722 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852868622 595588454 /nfs/dbraw/zinc/58/84/54/595588454.db2.gz SYVUTHXAKWISTK-QGZVFWFLSA-N 2 1 325.456 1.722 20 30 EDEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCO[C@H](C)C#N)C2)ccn1 ZINC000856584493 596023999 /nfs/dbraw/zinc/02/39/99/596023999.db2.gz KYWMKXZLUCWXCC-QAPCUYQASA-N 2 1 332.448 1.915 20 30 EDEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCO[C@H](C)C#N)C2)ccn1 ZINC000856584493 596024003 /nfs/dbraw/zinc/02/40/03/596024003.db2.gz KYWMKXZLUCWXCC-QAPCUYQASA-N 2 1 332.448 1.915 20 30 EDEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCO[C@H](C)C#N)C2)ccn1 ZINC000856584493 596024007 /nfs/dbraw/zinc/02/40/07/596024007.db2.gz KYWMKXZLUCWXCC-QAPCUYQASA-N 2 1 332.448 1.915 20 30 EDEDMP C[NH+](C)CCn1cc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cn1 ZINC000876747084 597319484 /nfs/dbraw/zinc/31/94/84/597319484.db2.gz VANOUYRRLZDHJD-KRWDZBQOSA-N 2 1 338.415 1.142 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000914069439 695064828 /nfs/dbraw/zinc/06/48/28/695064828.db2.gz WELYYZGJHZWFQT-UHFFFAOYSA-N 2 1 340.471 1.442 20 30 EDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H](C)C1 ZINC000942530036 703031113 /nfs/dbraw/zinc/03/11/13/703031113.db2.gz OKFJWBQMVLXLET-VQIMIIECSA-N 2 1 327.472 1.864 20 30 EDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942718217 703232154 /nfs/dbraw/zinc/23/21/54/703232154.db2.gz DBQSUIICOPHZBN-APWZRJJASA-N 2 1 327.472 1.864 20 30 EDEDMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC000997187957 703477677 /nfs/dbraw/zinc/47/76/77/703477677.db2.gz XZYMKJOCUGLHOF-GOSISDBHSA-N 2 1 340.471 1.981 20 30 EDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997275968 703535574 /nfs/dbraw/zinc/53/55/74/703535574.db2.gz CHISWGKKSDXPAG-QAPCUYQASA-N 2 1 342.487 1.994 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001040474450 705530958 /nfs/dbraw/zinc/53/09/58/705530958.db2.gz MVBMLGFACPDCST-HXUWFJFHSA-N 2 1 349.519 1.988 20 30 EDEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000998304927 705708049 /nfs/dbraw/zinc/70/80/49/705708049.db2.gz OUFFVKYXUKVQNP-UONOGXRCSA-N 2 1 349.397 1.264 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C(F)(F)F ZINC000998313819 705729423 /nfs/dbraw/zinc/72/94/23/705729423.db2.gz MUPYKIRASOOBHK-HUUCEWRRSA-N 2 1 345.409 1.721 20 30 EDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629799 705755296 /nfs/dbraw/zinc/75/52/96/705755296.db2.gz LUNFFDIEPAJYMN-OALUTQOASA-N 2 1 325.456 1.713 20 30 EDEDMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000998548311 705984111 /nfs/dbraw/zinc/98/41/11/705984111.db2.gz GDSVJIKGWGFGIY-LEOMRAHMSA-N 2 1 344.434 1.871 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998725170 706160032 /nfs/dbraw/zinc/16/00/32/706160032.db2.gz VMQAWZGSGXBKTF-XJKSGUPXSA-N 2 1 332.473 1.795 20 30 EDEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000999353944 706842796 /nfs/dbraw/zinc/84/27/96/706842796.db2.gz OKSQBWKTGCOYPD-LSDHHAIUSA-N 2 1 339.871 1.146 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033422727 707837434 /nfs/dbraw/zinc/83/74/34/707837434.db2.gz KVDICWBGJDXYMV-OAHLLOKOSA-N 2 1 332.448 1.993 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033422727 707837438 /nfs/dbraw/zinc/83/74/38/707837438.db2.gz KVDICWBGJDXYMV-OAHLLOKOSA-N 2 1 332.448 1.993 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033423581 707839550 /nfs/dbraw/zinc/83/95/50/707839550.db2.gz SGWRGQNOVNIUEV-HNNXBMFYSA-N 2 1 330.432 1.440 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033423581 707839553 /nfs/dbraw/zinc/83/95/53/707839553.db2.gz SGWRGQNOVNIUEV-HNNXBMFYSA-N 2 1 330.432 1.440 20 30 EDEDMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001033592062 708290734 /nfs/dbraw/zinc/29/07/34/708290734.db2.gz FNNSXTYPBLMAES-AWEZNQCLSA-N 2 1 344.484 1.748 20 30 EDEDMP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001033592062 708290735 /nfs/dbraw/zinc/29/07/35/708290735.db2.gz FNNSXTYPBLMAES-AWEZNQCLSA-N 2 1 344.484 1.748 20 30 EDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001040538882 708533612 /nfs/dbraw/zinc/53/36/12/708533612.db2.gz LZBWUXVAXCWJAF-PKOBYXMFSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001040538882 708533615 /nfs/dbraw/zinc/53/36/15/708533615.db2.gz LZBWUXVAXCWJAF-PKOBYXMFSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040538882 708533616 /nfs/dbraw/zinc/53/36/16/708533616.db2.gz LZBWUXVAXCWJAF-PKOBYXMFSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040538882 708533618 /nfs/dbraw/zinc/53/36/18/708533618.db2.gz LZBWUXVAXCWJAF-PKOBYXMFSA-N 2 1 333.476 1.045 20 30 EDEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033982912 709191747 /nfs/dbraw/zinc/19/17/47/709191747.db2.gz JPEFLDXZOLRESY-KRWDZBQOSA-N 2 1 333.480 1.557 20 30 EDEDMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003636982 710466872 /nfs/dbraw/zinc/46/68/72/710466872.db2.gz YYICDLLPPKHFHH-BEFAXECRSA-N 2 1 340.471 1.837 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003636982 710466874 /nfs/dbraw/zinc/46/68/74/710466874.db2.gz YYICDLLPPKHFHH-BEFAXECRSA-N 2 1 340.471 1.837 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141877 711945225 /nfs/dbraw/zinc/94/52/25/711945225.db2.gz PHAAJBOZQNNMOG-QZTJIDSGSA-N 2 1 335.492 1.739 20 30 EDEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033141877 711945226 /nfs/dbraw/zinc/94/52/26/711945226.db2.gz PHAAJBOZQNNMOG-QZTJIDSGSA-N 2 1 335.492 1.739 20 30 EDEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033141877 711945227 /nfs/dbraw/zinc/94/52/27/711945227.db2.gz PHAAJBOZQNNMOG-QZTJIDSGSA-N 2 1 335.492 1.739 20 30 EDEDMP CC(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccnc1 ZINC000267581273 249367855 /nfs/dbraw/zinc/36/78/55/249367855.db2.gz QUBYRUSLGVMVKU-QGZVFWFLSA-N 2 1 333.480 1.448 20 30 EDEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000372361362 250219423 /nfs/dbraw/zinc/21/94/23/250219423.db2.gz YYQCIIOZUGSDIY-ZACQAIPSSA-N 2 1 336.480 1.228 20 30 EDEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)C1 ZINC000174776000 207057712 /nfs/dbraw/zinc/05/77/12/207057712.db2.gz FVJZWNBIZVSGFZ-AYBZRNKSSA-N 2 1 331.460 1.960 20 30 EDEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)C1 ZINC000174776000 207057718 /nfs/dbraw/zinc/05/77/18/207057718.db2.gz FVJZWNBIZVSGFZ-AYBZRNKSSA-N 2 1 331.460 1.960 20 30 EDEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)[C@H](C)C1 ZINC000174776000 207057720 /nfs/dbraw/zinc/05/77/20/207057720.db2.gz FVJZWNBIZVSGFZ-AYBZRNKSSA-N 2 1 331.460 1.960 20 30 EDEDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000367172761 154029170 /nfs/dbraw/zinc/02/91/70/154029170.db2.gz ZMVWCCKMMOVWDJ-GOSISDBHSA-N 2 1 342.487 1.896 20 30 EDEDMP Cn1cc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1C#N ZINC000575850595 306672844 /nfs/dbraw/zinc/67/28/44/306672844.db2.gz QGKNNEDKUSGKDP-HXUWFJFHSA-N 2 1 337.471 1.975 20 30 EDEDMP N#Cc1ccc(OCCC[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000129171603 442305153 /nfs/dbraw/zinc/30/51/53/442305153.db2.gz RGGOLEHIEMQBRP-SFHVURJKSA-N 2 1 329.444 1.981 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1OCCOC ZINC000267936244 442792375 /nfs/dbraw/zinc/79/23/75/442792375.db2.gz RCJKTKDHFVHVBC-KRWDZBQOSA-N 2 1 348.491 1.909 20 30 EDEDMP CC[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261934332 443174933 /nfs/dbraw/zinc/17/49/33/443174933.db2.gz CDTOYTMBZHVBBE-CVEARBPZSA-N 2 1 331.464 1.594 20 30 EDEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262002209 443179021 /nfs/dbraw/zinc/17/90/21/443179021.db2.gz UTAOQRIVNRHYLJ-OCCSQVGLSA-N 2 1 334.493 1.790 20 30 EDEDMP N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2=O)cc1 ZINC000190626634 443151845 /nfs/dbraw/zinc/15/18/45/443151845.db2.gz PZBLPEPYUGFRKZ-GUDVDZBRSA-N 2 1 338.455 1.876 20 30 EDEDMP N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2=O)cc1 ZINC000190626634 443151848 /nfs/dbraw/zinc/15/18/48/443151848.db2.gz PZBLPEPYUGFRKZ-GUDVDZBRSA-N 2 1 338.455 1.876 20 30 EDEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCOCC3)CC2)oc1C ZINC000262521705 443199030 /nfs/dbraw/zinc/19/90/30/443199030.db2.gz IQCBGHYAPFQONQ-UHFFFAOYSA-N 2 1 335.452 1.150 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccccc1 ZINC000264120007 443249948 /nfs/dbraw/zinc/24/99/48/443249948.db2.gz QUFZSZYECQKVTP-UHFFFAOYSA-N 2 1 339.447 1.416 20 30 EDEDMP COc1ccc(CCNC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000267408555 443447502 /nfs/dbraw/zinc/44/75/02/443447502.db2.gz HRTBZNCXEOIITA-HNNXBMFYSA-N 2 1 334.464 1.110 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000292411884 443794666 /nfs/dbraw/zinc/79/46/66/443794666.db2.gz YSRCUJIDUUTERU-JCNLHEQBSA-N 2 1 334.439 1.698 20 30 EDEDMP Cn1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1C#N ZINC000288673664 443951846 /nfs/dbraw/zinc/95/18/46/443951846.db2.gz WOYXLOYWOQDMKE-UHFFFAOYSA-N 2 1 327.432 1.912 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000296899038 444261405 /nfs/dbraw/zinc/26/14/05/444261405.db2.gz MXQGLWUFTDLCNS-UHFFFAOYSA-N 2 1 342.487 1.859 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000296899038 444261408 /nfs/dbraw/zinc/26/14/08/444261408.db2.gz MXQGLWUFTDLCNS-UHFFFAOYSA-N 2 1 342.487 1.859 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000296899038 444261411 /nfs/dbraw/zinc/26/14/11/444261411.db2.gz MXQGLWUFTDLCNS-UHFFFAOYSA-N 2 1 342.487 1.859 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000296449279 444230262 /nfs/dbraw/zinc/23/02/62/444230262.db2.gz VHKMACAAJULMGL-UHFFFAOYSA-N 2 1 340.431 1.330 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000296449279 444230263 /nfs/dbraw/zinc/23/02/63/444230263.db2.gz VHKMACAAJULMGL-UHFFFAOYSA-N 2 1 340.431 1.330 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000296460192 444231717 /nfs/dbraw/zinc/23/17/17/444231717.db2.gz YZLPPOHFHLLXFM-INIZCTEOSA-N 2 1 332.448 1.671 20 30 EDEDMP Cc1noc([C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000328945850 444416372 /nfs/dbraw/zinc/41/63/72/444416372.db2.gz AZMGAIWKBKMEOP-CQSZACIVSA-N 2 1 335.452 1.997 20 30 EDEDMP Cc1noc([C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n1 ZINC000328945850 444416377 /nfs/dbraw/zinc/41/63/77/444416377.db2.gz AZMGAIWKBKMEOP-CQSZACIVSA-N 2 1 335.452 1.997 20 30 EDEDMP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000330840386 445161770 /nfs/dbraw/zinc/16/17/70/445161770.db2.gz ADMUIDSKIJRQAI-OAHLLOKOSA-N 2 1 326.485 1.163 20 30 EDEDMP CC[NH+]1CCC[C@@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000330840386 445161778 /nfs/dbraw/zinc/16/17/78/445161778.db2.gz ADMUIDSKIJRQAI-OAHLLOKOSA-N 2 1 326.485 1.163 20 30 EDEDMP CC[NH+]1CCC[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000330840386 445161785 /nfs/dbraw/zinc/16/17/85/445161785.db2.gz ADMUIDSKIJRQAI-OAHLLOKOSA-N 2 1 326.485 1.163 20 30 EDEDMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cc(C#N)c[nH]3)CC2)CC1 ZINC000363308188 445760549 /nfs/dbraw/zinc/76/05/49/445760549.db2.gz AGXSQARTTVVICB-UHFFFAOYSA-N 2 1 343.475 1.812 20 30 EDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000364340604 445913236 /nfs/dbraw/zinc/91/32/36/445913236.db2.gz HDNKEYIOWZJJGL-RDJZCZTQSA-N 2 1 344.459 1.498 20 30 EDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000364340604 445913241 /nfs/dbraw/zinc/91/32/41/445913241.db2.gz HDNKEYIOWZJJGL-RDJZCZTQSA-N 2 1 344.459 1.498 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361943279 446092349 /nfs/dbraw/zinc/09/23/49/446092349.db2.gz ZFXFNLAWJQXXGZ-CABCVRRESA-N 2 1 347.463 1.871 20 30 EDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361943279 446092354 /nfs/dbraw/zinc/09/23/54/446092354.db2.gz ZFXFNLAWJQXXGZ-CABCVRRESA-N 2 1 347.463 1.871 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000377564906 447209592 /nfs/dbraw/zinc/20/95/92/447209592.db2.gz IZYMGOGZHGQZES-SJORKVTESA-N 2 1 336.480 1.189 20 30 EDEDMP C#CCNC(=O)CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000491153804 447938829 /nfs/dbraw/zinc/93/88/29/447938829.db2.gz DKGDJVWCFQGFOQ-CALCHBBNSA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000491251939 447972305 /nfs/dbraw/zinc/97/23/05/447972305.db2.gz DGQHKGUJPFDBDA-SFHVURJKSA-N 2 1 330.476 1.414 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000566107769 448390381 /nfs/dbraw/zinc/39/03/81/448390381.db2.gz PCHFSOYRBNYYAL-SFHVURJKSA-N 2 1 329.444 1.928 20 30 EDEDMP Cc1cc(NCC[N@H+](C)C2CC2)c(C#N)c(NCC[NH+](C)C2CC2)n1 ZINC000596087168 449355626 /nfs/dbraw/zinc/35/56/26/449355626.db2.gz GSVPNXIPKITMGL-UHFFFAOYSA-N 2 1 342.491 2.274 20 30 EDEDMP Cc1cc(NCC[NH+](C)C2CC2)c(C#N)c(NCC[N@H+](C)C2CC2)n1 ZINC000596087168 449355632 /nfs/dbraw/zinc/35/56/32/449355632.db2.gz GSVPNXIPKITMGL-UHFFFAOYSA-N 2 1 342.491 2.274 20 30 EDEDMP Cc1cc(NCC[NH+](C)C2CC2)c(C#N)c(NCC[N@@H+](C)C2CC2)n1 ZINC000596087168 449355639 /nfs/dbraw/zinc/35/56/39/449355639.db2.gz GSVPNXIPKITMGL-UHFFFAOYSA-N 2 1 342.491 2.274 20 30 EDEDMP C=CCC1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCCC1 ZINC000661849842 452630670 /nfs/dbraw/zinc/63/06/70/452630670.db2.gz HWJKRMAMHOQWOI-KRWDZBQOSA-N 2 1 337.508 1.938 20 30 EDEDMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)N1CCN(C(C)=O)CC1 ZINC000263229903 535264652 /nfs/dbraw/zinc/26/46/52/535264652.db2.gz HUFSURXTVAUTLH-CVEARBPZSA-N 2 1 337.512 1.236 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000264084135 535598026 /nfs/dbraw/zinc/59/80/26/535598026.db2.gz INDFAOMKKAAZGH-ZDUSSCGKSA-N 2 1 335.408 1.492 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000901238876 592299699 /nfs/dbraw/zinc/29/96/99/592299699.db2.gz GEPLHRSJIKQHKO-RBUKOAKNSA-N 2 1 345.487 1.494 20 30 EDEDMP N#Cc1sccc1N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903769141 592310645 /nfs/dbraw/zinc/31/06/45/592310645.db2.gz YNMHDKWTTUHYKO-OAHLLOKOSA-N 2 1 346.500 1.900 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CCO)C(C)C)CC1 ZINC000910860624 592897677 /nfs/dbraw/zinc/89/76/77/592897677.db2.gz GJPSUSXHFLBAOL-SFHVURJKSA-N 2 1 335.492 1.025 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1 ZINC000910860624 592897678 /nfs/dbraw/zinc/89/76/78/592897678.db2.gz GJPSUSXHFLBAOL-SFHVURJKSA-N 2 1 335.492 1.025 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CCO)C(C)C)CC1 ZINC000910860624 592897679 /nfs/dbraw/zinc/89/76/79/592897679.db2.gz GJPSUSXHFLBAOL-SFHVURJKSA-N 2 1 335.492 1.025 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CCO)C(C)C)CC1 ZINC000910860624 592897680 /nfs/dbraw/zinc/89/76/80/592897680.db2.gz GJPSUSXHFLBAOL-SFHVURJKSA-N 2 1 335.492 1.025 20 30 EDEDMP C#CCC[NH+]1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000839576544 593341892 /nfs/dbraw/zinc/34/18/92/593341892.db2.gz OAIXEMGCIVVXRO-KRWDZBQOSA-N 2 1 335.517 1.371 20 30 EDEDMP C#C[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000820429762 593818297 /nfs/dbraw/zinc/81/82/97/593818297.db2.gz YBRIETJXQVADAO-INIZCTEOSA-N 2 1 334.508 1.846 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000836402592 594960045 /nfs/dbraw/zinc/96/00/45/594960045.db2.gz JRGUPFDWTUCSBX-PKOBYXMFSA-N 2 1 342.487 1.761 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000836402592 594960046 /nfs/dbraw/zinc/96/00/46/594960046.db2.gz JRGUPFDWTUCSBX-PKOBYXMFSA-N 2 1 342.487 1.761 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000836402592 594960048 /nfs/dbraw/zinc/96/00/48/594960048.db2.gz JRGUPFDWTUCSBX-PKOBYXMFSA-N 2 1 342.487 1.761 20 30 EDEDMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852869336 595589497 /nfs/dbraw/zinc/58/94/97/595589497.db2.gz CPBURWZVKUPJDM-IBGZPJMESA-N 2 1 325.456 1.722 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000854663693 596153673 /nfs/dbraw/zinc/15/36/73/596153673.db2.gz DAJLXSYKXWCBFJ-IBGZPJMESA-N 2 1 327.472 1.937 20 30 EDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000876717874 597302540 /nfs/dbraw/zinc/30/25/40/597302540.db2.gz LITCLSTVUPDKAH-IBGZPJMESA-N 2 1 338.455 1.832 20 30 EDEDMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876734041 597312096 /nfs/dbraw/zinc/31/20/96/597312096.db2.gz NVWHXIOTMRBCFP-YJBOKZPZSA-N 2 1 326.444 1.592 20 30 EDEDMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876955957 597395807 /nfs/dbraw/zinc/39/58/07/597395807.db2.gz CUQQDNVNTGHMFW-CRAIPNDOSA-N 2 1 340.471 1.982 20 30 EDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000877055301 597423525 /nfs/dbraw/zinc/42/35/25/597423525.db2.gz RPZRRXQUFNISEG-IBGZPJMESA-N 2 1 348.406 1.866 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC000941471299 701549988 /nfs/dbraw/zinc/54/99/88/701549988.db2.gz WHWRPQUGIJWQBY-LJQANCHMSA-N 2 1 348.535 1.511 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941471299 701549989 /nfs/dbraw/zinc/54/99/89/701549989.db2.gz WHWRPQUGIJWQBY-LJQANCHMSA-N 2 1 348.535 1.511 20 30 EDEDMP C=CCN1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941602881 701593316 /nfs/dbraw/zinc/59/33/16/701593316.db2.gz CILJDHZAJCGGBR-AEFFLSMTSA-N 2 1 332.492 1.018 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1 ZINC000941602881 701593317 /nfs/dbraw/zinc/59/33/17/701593317.db2.gz CILJDHZAJCGGBR-AEFFLSMTSA-N 2 1 332.492 1.018 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)CC2)C1 ZINC000941602881 701593318 /nfs/dbraw/zinc/59/33/18/701593318.db2.gz CILJDHZAJCGGBR-AEFFLSMTSA-N 2 1 332.492 1.018 20 30 EDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033743 701077073 /nfs/dbraw/zinc/07/70/73/701077073.db2.gz UJISGVILRMLEIS-WMZOPIPTSA-N 2 1 342.487 1.994 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033743 701077075 /nfs/dbraw/zinc/07/70/75/701077075.db2.gz UJISGVILRMLEIS-WMZOPIPTSA-N 2 1 342.487 1.994 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408885 701521335 /nfs/dbraw/zinc/52/13/35/701521335.db2.gz WVEIFZMSOMHGQN-ROUUACIJSA-N 2 1 346.519 1.265 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)C1 ZINC000941408885 701521336 /nfs/dbraw/zinc/52/13/36/701521336.db2.gz WVEIFZMSOMHGQN-ROUUACIJSA-N 2 1 346.519 1.265 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000996608391 702911598 /nfs/dbraw/zinc/91/15/98/702911598.db2.gz SDLDNQFACSSPPG-DNVCBOLYSA-N 2 1 340.471 1.979 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2snnc2C)CC1 ZINC000996684293 702982296 /nfs/dbraw/zinc/98/22/96/702982296.db2.gz HPODLXJQCKMFCH-HNNXBMFYSA-N 2 1 347.488 1.025 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2snnc2C)CC1 ZINC000996684293 702982297 /nfs/dbraw/zinc/98/22/97/702982297.db2.gz HPODLXJQCKMFCH-HNNXBMFYSA-N 2 1 347.488 1.025 20 30 EDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997271291 703533689 /nfs/dbraw/zinc/53/36/89/703533689.db2.gz IEQWQVSPPTXJQN-SJLPKXTDSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997271291 703533691 /nfs/dbraw/zinc/53/36/91/703533691.db2.gz IEQWQVSPPTXJQN-SJLPKXTDSA-N 2 1 337.508 1.888 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)Cl)C[C@@H]2C)CC1 ZINC000945180116 705212192 /nfs/dbraw/zinc/21/21/92/705212192.db2.gz KPOIERMYZYHDAQ-YOEHRIQHSA-N 2 1 337.895 1.911 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=C)Cl)C[C@@H]2C)CC1 ZINC000945180116 705212196 /nfs/dbraw/zinc/21/21/96/705212196.db2.gz KPOIERMYZYHDAQ-YOEHRIQHSA-N 2 1 337.895 1.911 20 30 EDEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000998067927 705281238 /nfs/dbraw/zinc/28/12/38/705281238.db2.gz WWFAZWWUZRVEGF-SFANZJOMSA-N 2 1 347.503 1.739 20 30 EDEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000998067927 705281240 /nfs/dbraw/zinc/28/12/40/705281240.db2.gz WWFAZWWUZRVEGF-SFANZJOMSA-N 2 1 347.503 1.739 20 30 EDEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000998067927 705281241 /nfs/dbraw/zinc/28/12/41/705281241.db2.gz WWFAZWWUZRVEGF-SFANZJOMSA-N 2 1 347.503 1.739 20 30 EDEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000998067926 705281627 /nfs/dbraw/zinc/28/16/27/705281627.db2.gz WWFAZWWUZRVEGF-NRGCRIOASA-N 2 1 347.503 1.739 20 30 EDEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000998067926 705281629 /nfs/dbraw/zinc/28/16/29/705281629.db2.gz WWFAZWWUZRVEGF-NRGCRIOASA-N 2 1 347.503 1.739 20 30 EDEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000998067926 705281632 /nfs/dbraw/zinc/28/16/32/705281632.db2.gz WWFAZWWUZRVEGF-NRGCRIOASA-N 2 1 347.503 1.739 20 30 EDEDMP C=CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C(F)(F)F ZINC000998318756 705742361 /nfs/dbraw/zinc/74/23/61/705742361.db2.gz XMLAVWYBHGTNLX-OLZOCXBDSA-N 2 1 330.354 1.747 20 30 EDEDMP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000998828207 706258710 /nfs/dbraw/zinc/25/87/10/706258710.db2.gz SJFCJXXDGVCEHM-CJNGLKHVSA-N 2 1 348.472 1.031 20 30 EDEDMP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000998828207 706258715 /nfs/dbraw/zinc/25/87/15/706258715.db2.gz SJFCJXXDGVCEHM-CJNGLKHVSA-N 2 1 348.472 1.031 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2c(C)noc2C)C1 ZINC000999391291 706904512 /nfs/dbraw/zinc/90/45/12/706904512.db2.gz KCDJJHGIGDMERT-AEFFLSMTSA-N 2 1 344.459 1.470 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001033297527 707413913 /nfs/dbraw/zinc/41/39/13/707413913.db2.gz OQEHSUIOYIOOAR-RTBURBONSA-N 2 1 349.519 1.986 20 30 EDEDMP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001033417913 707800980 /nfs/dbraw/zinc/80/09/80/707800980.db2.gz BFBZPVDKRJEVEH-LSDHHAIUSA-N 2 1 346.500 1.994 20 30 EDEDMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001033417913 707800982 /nfs/dbraw/zinc/80/09/82/707800982.db2.gz BFBZPVDKRJEVEH-LSDHHAIUSA-N 2 1 346.500 1.994 20 30 EDEDMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001033417913 707800985 /nfs/dbraw/zinc/80/09/85/707800985.db2.gz BFBZPVDKRJEVEH-LSDHHAIUSA-N 2 1 346.500 1.994 20 30 EDEDMP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001033417913 707800986 /nfs/dbraw/zinc/80/09/86/707800986.db2.gz BFBZPVDKRJEVEH-LSDHHAIUSA-N 2 1 346.500 1.994 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001034044087 709295895 /nfs/dbraw/zinc/29/58/95/709295895.db2.gz ZXGGNSCBSXSARA-RTBURBONSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001034044087 709295897 /nfs/dbraw/zinc/29/58/97/709295897.db2.gz ZXGGNSCBSXSARA-RTBURBONSA-N 2 1 340.471 1.933 20 30 EDEDMP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001034044087 709295899 /nfs/dbraw/zinc/29/58/99/709295899.db2.gz ZXGGNSCBSXSARA-RTBURBONSA-N 2 1 340.471 1.933 20 30 EDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034240080 709623619 /nfs/dbraw/zinc/62/36/19/709623619.db2.gz GIRSTIDDCWPGST-SJLPKXTDSA-N 2 1 335.492 1.787 20 30 EDEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034240080 709623622 /nfs/dbraw/zinc/62/36/22/709623622.db2.gz GIRSTIDDCWPGST-SJLPKXTDSA-N 2 1 335.492 1.787 20 30 EDEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034240080 709623625 /nfs/dbraw/zinc/62/36/25/709623625.db2.gz GIRSTIDDCWPGST-SJLPKXTDSA-N 2 1 335.492 1.787 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304402 709774757 /nfs/dbraw/zinc/77/47/57/709774757.db2.gz TVGOHKPCXOJJCC-MRXNPFEDSA-N 2 1 337.427 1.875 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034435920 710009484 /nfs/dbraw/zinc/00/94/84/710009484.db2.gz MVQIHSWSNXSGRQ-QGZVFWFLSA-N 2 1 331.464 1.052 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001003634339 710461788 /nfs/dbraw/zinc/46/17/88/710461788.db2.gz JPEGJNUNESSIJH-DNVCBOLYSA-N 2 1 340.471 1.837 20 30 EDEDMP C=CCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000922391856 711456622 /nfs/dbraw/zinc/45/66/22/711456622.db2.gz BGAROOCCISIPFX-MKXGPGLRSA-N 2 1 347.507 1.814 20 30 EDEDMP C=CCCn1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](CC)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000922391856 711456624 /nfs/dbraw/zinc/45/66/24/711456624.db2.gz BGAROOCCISIPFX-MKXGPGLRSA-N 2 1 347.507 1.814 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)CC1 ZINC000057153938 201139241 /nfs/dbraw/zinc/13/92/41/201139241.db2.gz CNWHZNDQHQRCBI-UHFFFAOYSA-N 2 1 332.473 1.805 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)CC1 ZINC000057153938 201139244 /nfs/dbraw/zinc/13/92/44/201139244.db2.gz CNWHZNDQHQRCBI-UHFFFAOYSA-N 2 1 332.473 1.805 20 30 EDEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)N1CCc2ccccc21 ZINC000264065623 249330982 /nfs/dbraw/zinc/33/09/82/249330982.db2.gz BBGXDSUQNDBSTQ-INIZCTEOSA-N 2 1 345.491 1.064 20 30 EDEDMP CC1CCN(C(=[NH2+])NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000264079825 249332425 /nfs/dbraw/zinc/33/24/25/249332425.db2.gz GYHVVCWCVZJUBR-GOSISDBHSA-N 2 1 330.476 1.452 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)CC1 ZINC000490760829 255105561 /nfs/dbraw/zinc/10/55/61/255105561.db2.gz PJBDHWCCTRJIGP-SFHVURJKSA-N 2 1 333.476 1.187 20 30 EDEDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000528516584 267341174 /nfs/dbraw/zinc/34/11/74/267341174.db2.gz KUTWIMLCWNWWOE-HKUYNNGSSA-N 2 1 329.444 1.716 20 30 EDEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000528516584 267341177 /nfs/dbraw/zinc/34/11/77/267341177.db2.gz KUTWIMLCWNWWOE-HKUYNNGSSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000528516584 267341178 /nfs/dbraw/zinc/34/11/78/267341178.db2.gz KUTWIMLCWNWWOE-HKUYNNGSSA-N 2 1 329.444 1.716 20 30 EDEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000528516584 267341182 /nfs/dbraw/zinc/34/11/82/267341182.db2.gz KUTWIMLCWNWWOE-HKUYNNGSSA-N 2 1 329.444 1.716 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)n1C ZINC000448855364 269655209 /nfs/dbraw/zinc/65/52/09/269655209.db2.gz YDBUZMTVAKUNLB-MRXNPFEDSA-N 2 1 331.464 1.385 20 30 EDEDMP Cc1onc(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1C#N ZINC000541855930 306048150 /nfs/dbraw/zinc/04/81/50/306048150.db2.gz ZOCLCCACJZYBHG-UHFFFAOYSA-N 2 1 340.387 1.183 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182890983 442843093 /nfs/dbraw/zinc/84/30/93/442843093.db2.gz ZVUYPMDAQBSYKA-OALUTQOASA-N 2 1 348.535 1.677 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182890983 442843099 /nfs/dbraw/zinc/84/30/99/442843099.db2.gz ZVUYPMDAQBSYKA-OALUTQOASA-N 2 1 348.535 1.677 20 30 EDEDMP C[NH+]=C(NCCn1cnc2ccccc21)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261942098 443174432 /nfs/dbraw/zinc/17/44/32/443174432.db2.gz DSNPGYRXYZOZLR-RDJZCZTQSA-N 2 1 342.491 1.930 20 30 EDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261973756 443177304 /nfs/dbraw/zinc/17/73/04/443177304.db2.gz NGOYYTCAKRRHGE-OAHLLOKOSA-N 2 1 328.420 1.315 20 30 EDEDMP COc1cc(Cl)ccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267409461 443446723 /nfs/dbraw/zinc/44/67/23/443446723.db2.gz HXAHQLVKYIKJAX-UHFFFAOYSA-N 2 1 340.855 1.475 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(C(=O)N(C)C)c1 ZINC000267461436 443465745 /nfs/dbraw/zinc/46/57/45/443465745.db2.gz VGLDQKTYLUCSLA-KRWDZBQOSA-N 2 1 345.491 1.320 20 30 EDEDMP COc1cc(CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1C#N ZINC000440821480 446855334 /nfs/dbraw/zinc/85/53/34/446855334.db2.gz IZFYYBYYXNOECT-MRXNPFEDSA-N 2 1 330.432 1.244 20 30 EDEDMP COc1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1C#N ZINC000440821480 446855342 /nfs/dbraw/zinc/85/53/42/446855342.db2.gz IZFYYBYYXNOECT-MRXNPFEDSA-N 2 1 330.432 1.244 20 30 EDEDMP COc1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1C#N ZINC000440821480 446855348 /nfs/dbraw/zinc/85/53/48/446855348.db2.gz IZFYYBYYXNOECT-MRXNPFEDSA-N 2 1 330.432 1.244 20 30 EDEDMP Cc1[nH+]ccn1CCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000570274091 447973732 /nfs/dbraw/zinc/97/37/32/447973732.db2.gz WMLQUTHNVBSLQK-UHFFFAOYSA-N 2 1 332.429 1.517 20 30 EDEDMP C#CCNC(=O)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000491495319 448045680 /nfs/dbraw/zinc/04/56/80/448045680.db2.gz IKXMJXIZGOCVIF-RTBURBONSA-N 2 1 325.456 1.580 20 30 EDEDMP C#CCNC(=O)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000491495319 448045684 /nfs/dbraw/zinc/04/56/84/448045684.db2.gz IKXMJXIZGOCVIF-RTBURBONSA-N 2 1 325.456 1.580 20 30 EDEDMP C#CCNC(=O)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000491495319 448045686 /nfs/dbraw/zinc/04/56/86/448045686.db2.gz IKXMJXIZGOCVIF-RTBURBONSA-N 2 1 325.456 1.580 20 30 EDEDMP C#C[C@@H]1COCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491653141 448071282 /nfs/dbraw/zinc/07/12/82/448071282.db2.gz BZKTYHUFCHRLMB-QGZVFWFLSA-N 2 1 333.476 1.043 20 30 EDEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)CN(C)CCC#N)cc1F ZINC000572343609 448350691 /nfs/dbraw/zinc/35/06/91/448350691.db2.gz VSXBOQLAMQQOCF-INIZCTEOSA-N 2 1 345.422 1.616 20 30 EDEDMP C[NH+]1CCN([C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)c2cccs2)CC1 ZINC000566146981 448395901 /nfs/dbraw/zinc/39/59/01/448395901.db2.gz WBVOZLHOSOETAU-LSDHHAIUSA-N 2 1 349.504 1.174 20 30 EDEDMP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1=CC[N@@H+](C)CC1 ZINC000578620073 448594502 /nfs/dbraw/zinc/59/45/02/448594502.db2.gz MMBWTEIFCMXOJR-AWEZNQCLSA-N 2 1 333.457 1.572 20 30 EDEDMP CN1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc2)CC1 ZINC000598715984 449560078 /nfs/dbraw/zinc/56/00/78/449560078.db2.gz XAWZMVGGVRTLEB-LJQANCHMSA-N 2 1 344.503 1.824 20 30 EDEDMP N#Cc1cc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)ccc1F ZINC000603200677 450136393 /nfs/dbraw/zinc/13/63/93/450136393.db2.gz NHQIBNMPFOUPFK-UHFFFAOYSA-N 2 1 328.395 1.303 20 30 EDEDMP O[C@]1(C2CC2)CCC[NH+](CC#CC[N@@H+]2CCC[C@](O)(C3CC3)C2)C1 ZINC000661627950 452446647 /nfs/dbraw/zinc/44/66/47/452446647.db2.gz SFDQLBVZNOVNMG-WOJBJXKFSA-N 2 1 332.488 1.464 20 30 EDEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000104174580 533992935 /nfs/dbraw/zinc/99/29/35/533992935.db2.gz DXKHQEOMZTVOPI-AWEZNQCLSA-N 2 1 349.479 1.314 20 30 EDEDMP CC(C)c1csc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000123692030 528228172 /nfs/dbraw/zinc/22/81/72/528228172.db2.gz BXJDBUYYXHXVID-UHFFFAOYSA-N 2 1 325.482 1.393 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(Cc2ccccc2)c1 ZINC000264104120 535549484 /nfs/dbraw/zinc/54/94/84/535549484.db2.gz OYHBVWKWOOZUOR-GOSISDBHSA-N 2 1 340.475 1.820 20 30 EDEDMP CCN(Cc1ccccc1)C(=O)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000264074426 535787676 /nfs/dbraw/zinc/78/76/76/535787676.db2.gz FEBDNLDEXSYDLZ-QGZVFWFLSA-N 2 1 345.491 1.424 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000730275253 578638297 /nfs/dbraw/zinc/63/82/97/578638297.db2.gz ZVCNGXVRGLVUQD-IBGZPJMESA-N 2 1 325.456 1.819 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000908106591 592323187 /nfs/dbraw/zinc/32/31/87/592323187.db2.gz MHZCRCHATJQRLU-DOTOQJQBSA-N 2 1 333.480 1.427 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000839854369 593201141 /nfs/dbraw/zinc/20/11/41/593201141.db2.gz PUAVUXXAFBUYOG-HKUYNNGSSA-N 2 1 325.456 1.817 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000839854369 593201144 /nfs/dbraw/zinc/20/11/44/593201144.db2.gz PUAVUXXAFBUYOG-HKUYNNGSSA-N 2 1 325.456 1.817 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000839854369 593201146 /nfs/dbraw/zinc/20/11/46/593201146.db2.gz PUAVUXXAFBUYOG-HKUYNNGSSA-N 2 1 325.456 1.817 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000839854369 593201148 /nfs/dbraw/zinc/20/11/48/593201148.db2.gz PUAVUXXAFBUYOG-HKUYNNGSSA-N 2 1 325.456 1.817 20 30 EDEDMP CCCCCCCCNC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000849063522 595477104 /nfs/dbraw/zinc/47/71/04/595477104.db2.gz ILRMHUHLWSDTME-UHFFFAOYSA-N 2 1 325.501 1.625 20 30 EDEDMP C#C[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCO1 ZINC000847757527 595479767 /nfs/dbraw/zinc/47/97/67/595479767.db2.gz AJPQHGOXOBRCLH-OALUTQOASA-N 2 1 347.503 1.480 20 30 EDEDMP CC(C)(CNC(=O)C#CC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000852858686 595579766 /nfs/dbraw/zinc/57/97/66/595579766.db2.gz GYYCNMPOFKZOPD-UHFFFAOYSA-N 2 1 339.483 1.943 20 30 EDEDMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852907086 595609273 /nfs/dbraw/zinc/60/92/73/595609273.db2.gz CRGOTIMDSRTZFZ-HXUWFJFHSA-N 2 1 339.483 1.765 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000875245607 597350777 /nfs/dbraw/zinc/35/07/77/597350777.db2.gz AGRDFJINPYHECZ-INIZCTEOSA-N 2 1 338.496 1.171 20 30 EDEDMP C#CCOc1ccccc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877747388 597552996 /nfs/dbraw/zinc/55/29/96/597552996.db2.gz JKQVNOLAEYNMAM-UHFFFAOYSA-N 2 1 327.472 1.910 20 30 EDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000884160182 598011228 /nfs/dbraw/zinc/01/12/28/598011228.db2.gz WUMYSMXNVOOJPB-MSOLQXFVSA-N 2 1 346.450 1.825 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000884160182 598011231 /nfs/dbraw/zinc/01/12/31/598011231.db2.gz WUMYSMXNVOOJPB-MSOLQXFVSA-N 2 1 346.450 1.825 20 30 EDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000884363171 598081172 /nfs/dbraw/zinc/08/11/72/598081172.db2.gz YCEFKVVUFJJQDS-HNNXBMFYSA-N 2 1 338.521 1.211 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000884363171 598081175 /nfs/dbraw/zinc/08/11/75/598081175.db2.gz YCEFKVVUFJJQDS-HNNXBMFYSA-N 2 1 338.521 1.211 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000914332689 695365149 /nfs/dbraw/zinc/36/51/49/695365149.db2.gz CHHSHOBDPVDQEC-UHFFFAOYSA-N 2 1 328.460 1.515 20 30 EDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000939148406 699251196 /nfs/dbraw/zinc/25/11/96/699251196.db2.gz TZMNMYGUWZAWDH-PBHICJAKSA-N 2 1 332.448 1.897 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)OC)CC2(C)C)CC1 ZINC000941238683 701429025 /nfs/dbraw/zinc/42/90/25/701429025.db2.gz ZWWAPRVGVKCMHV-FUHWJXTLSA-N 2 1 349.519 1.583 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941437301 701540405 /nfs/dbraw/zinc/54/04/05/701540405.db2.gz YACLKNYZHKHCMC-GOSISDBHSA-N 2 1 348.535 1.654 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941437301 701540406 /nfs/dbraw/zinc/54/04/06/701540406.db2.gz YACLKNYZHKHCMC-GOSISDBHSA-N 2 1 348.535 1.654 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000997008464 703266581 /nfs/dbraw/zinc/26/65/81/703266581.db2.gz MMNOQISOKLZLKT-HNAYVOBHSA-N 2 1 340.471 1.837 20 30 EDEDMP C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997297955 703556123 /nfs/dbraw/zinc/55/61/23/703556123.db2.gz HSIDRWVPRSLNDN-LBPRGKRZSA-N 2 1 330.270 1.427 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(C)(C)C1 ZINC001032453524 703630850 /nfs/dbraw/zinc/63/08/50/703630850.db2.gz DCIXJEVGRMCGCH-BZSNNMDCSA-N 2 1 329.488 1.805 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(C)(C)C1 ZINC001032453524 703630851 /nfs/dbraw/zinc/63/08/51/703630851.db2.gz DCIXJEVGRMCGCH-BZSNNMDCSA-N 2 1 329.488 1.805 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(C)(C)C1 ZINC001032453524 703630852 /nfs/dbraw/zinc/63/08/52/703630852.db2.gz DCIXJEVGRMCGCH-BZSNNMDCSA-N 2 1 329.488 1.805 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(C)(C)C1 ZINC001032453524 703630853 /nfs/dbraw/zinc/63/08/53/703630853.db2.gz DCIXJEVGRMCGCH-BZSNNMDCSA-N 2 1 329.488 1.805 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001040476033 705599773 /nfs/dbraw/zinc/59/97/73/705599773.db2.gz SUFFCNLNGPFVDC-HXUWFJFHSA-N 2 1 349.519 1.988 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000998720141 706152504 /nfs/dbraw/zinc/15/25/04/706152504.db2.gz IIAMQOYNOCFIIZ-WMZOPIPTSA-N 2 1 344.434 1.872 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000999393158 706887594 /nfs/dbraw/zinc/88/75/94/706887594.db2.gz WRXMXCXXVDLDOV-RDJZCZTQSA-N 2 1 346.500 1.364 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000999393158 706887596 /nfs/dbraw/zinc/88/75/96/706887596.db2.gz WRXMXCXXVDLDOV-RDJZCZTQSA-N 2 1 346.500 1.364 20 30 EDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731344 707268113 /nfs/dbraw/zinc/26/81/13/707268113.db2.gz MUZMCWBKYFZKLO-CEXWTWQISA-N 2 1 349.519 1.842 20 30 EDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731344 707268115 /nfs/dbraw/zinc/26/81/15/707268115.db2.gz MUZMCWBKYFZKLO-CEXWTWQISA-N 2 1 349.519 1.842 20 30 EDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731344 707268117 /nfs/dbraw/zinc/26/81/17/707268117.db2.gz MUZMCWBKYFZKLO-CEXWTWQISA-N 2 1 349.519 1.842 20 30 EDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)CC[C@@H]2C1 ZINC000946731344 707268119 /nfs/dbraw/zinc/26/81/19/707268119.db2.gz MUZMCWBKYFZKLO-CEXWTWQISA-N 2 1 349.519 1.842 20 30 EDEDMP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001033417907 707801300 /nfs/dbraw/zinc/80/13/00/707801300.db2.gz BFBZPVDKRJEVEH-GJZGRUSLSA-N 2 1 346.500 1.994 20 30 EDEDMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001033417907 707801303 /nfs/dbraw/zinc/80/13/03/707801303.db2.gz BFBZPVDKRJEVEH-GJZGRUSLSA-N 2 1 346.500 1.994 20 30 EDEDMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001033417907 707801307 /nfs/dbraw/zinc/80/13/07/707801307.db2.gz BFBZPVDKRJEVEH-GJZGRUSLSA-N 2 1 346.500 1.994 20 30 EDEDMP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001033417907 707801309 /nfs/dbraw/zinc/80/13/09/707801309.db2.gz BFBZPVDKRJEVEH-GJZGRUSLSA-N 2 1 346.500 1.994 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033442660 707874382 /nfs/dbraw/zinc/87/43/82/707874382.db2.gz PZEPIQDVEMNOOU-AQNXPRMDSA-N 2 1 339.483 1.888 20 30 EDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033442660 707874386 /nfs/dbraw/zinc/87/43/86/707874386.db2.gz PZEPIQDVEMNOOU-AQNXPRMDSA-N 2 1 339.483 1.888 20 30 EDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001033442660 707874389 /nfs/dbraw/zinc/87/43/89/707874389.db2.gz PZEPIQDVEMNOOU-AQNXPRMDSA-N 2 1 339.483 1.888 20 30 EDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001005741516 711315758 /nfs/dbraw/zinc/31/57/58/711315758.db2.gz MAUYDBNXGCLEHU-KGXSXCIVSA-N 2 1 347.503 1.739 20 30 EDEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000329484519 539438684 /nfs/dbraw/zinc/43/86/84/539438684.db2.gz QMUZCQQPSRIMRW-HNNXBMFYSA-N 2 1 325.501 1.000 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000179720974 201031855 /nfs/dbraw/zinc/03/18/55/201031855.db2.gz BXCVDYHTLUFUDG-QGZVFWFLSA-N 2 1 327.472 1.968 20 30 EDEDMP COc1ccc(CNC(=[NH2+])NCCCn2cc[nH+]c2C)cc1OC ZINC000264083935 249331931 /nfs/dbraw/zinc/33/19/31/249331931.db2.gz IHQJXEXJYNFNJC-UHFFFAOYSA-N 2 1 331.420 1.703 20 30 EDEDMP Cc1[nH+]ccn1CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000264078894 249332679 /nfs/dbraw/zinc/33/26/79/249332679.db2.gz GTVOBUDOGSJUFU-UHFFFAOYSA-N 2 1 336.440 1.059 20 30 EDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000264104262 249335738 /nfs/dbraw/zinc/33/57/38/249335738.db2.gz NIJSYLRGTJVZDC-WMLDXEAASA-N 2 1 334.464 1.771 20 30 EDEDMP COc1ccc(C(C)(C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000104182498 533360447 /nfs/dbraw/zinc/36/04/47/533360447.db2.gz HHFLGAYQFQALNE-UHFFFAOYSA-N 2 1 348.491 1.599 20 30 EDEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C1 ZINC000364564930 153272371 /nfs/dbraw/zinc/27/23/71/153272371.db2.gz UYIFBCZDXCMRSS-GOSISDBHSA-N 2 1 328.460 1.649 20 30 EDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C1 ZINC000364564930 153272374 /nfs/dbraw/zinc/27/23/74/153272374.db2.gz UYIFBCZDXCMRSS-GOSISDBHSA-N 2 1 328.460 1.649 20 30 EDEDMP C#CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CCCC1 ZINC000155841259 442431531 /nfs/dbraw/zinc/43/15/31/442431531.db2.gz STPTXZMHHTVDTM-SFHVURJKSA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CCCC1 ZINC000155841259 442431534 /nfs/dbraw/zinc/43/15/34/442431534.db2.gz STPTXZMHHTVDTM-SFHVURJKSA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CCCC1 ZINC000155841259 442431538 /nfs/dbraw/zinc/43/15/38/442431538.db2.gz STPTXZMHHTVDTM-SFHVURJKSA-N 2 1 335.492 1.337 20 30 EDEDMP CN(CC[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000180963556 442672218 /nfs/dbraw/zinc/67/22/18/442672218.db2.gz NNLKTMLBOFBHIS-IBGZPJMESA-N 2 1 330.476 1.549 20 30 EDEDMP C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261954539 443175716 /nfs/dbraw/zinc/17/57/16/443175716.db2.gz IIRYOZWGBCHUGX-BLLLJJGKSA-N 2 1 347.438 1.412 20 30 EDEDMP COc1ccc(CCNC(=[NH2+])NCCn2cc[nH+]c2C)cc1OC ZINC000264064013 443247823 /nfs/dbraw/zinc/24/78/23/443247823.db2.gz ANRBPTWDROKNES-UHFFFAOYSA-N 2 1 331.420 1.356 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc2cccnc21 ZINC000264063504 443247071 /nfs/dbraw/zinc/24/70/71/443247071.db2.gz AHGJNPSLHMFBSN-UHFFFAOYSA-N 2 1 327.432 1.361 20 30 EDEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])N[C@@H](C)COC)cc2)CC1 ZINC000264063398 443247386 /nfs/dbraw/zinc/24/73/86/443247386.db2.gz ACUJNGKUHTZQEP-INIZCTEOSA-N 2 1 347.507 1.263 20 30 EDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000245938266 443258389 /nfs/dbraw/zinc/25/83/89/443258389.db2.gz TYKPVUQHZIBPPI-MSOLQXFVSA-N 2 1 336.524 1.511 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000296559031 444238538 /nfs/dbraw/zinc/23/85/38/444238538.db2.gz WSWIYVHHLZBDSC-QGZVFWFLSA-N 2 1 334.439 1.683 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343779579 444585964 /nfs/dbraw/zinc/58/59/64/444585964.db2.gz ZUPHJKFDCJHESN-ROUUACIJSA-N 2 1 348.535 1.676 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343779579 444585970 /nfs/dbraw/zinc/58/59/70/444585970.db2.gz ZUPHJKFDCJHESN-ROUUACIJSA-N 2 1 348.535 1.676 20 30 EDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCSC[C@H]2CCO)CC1 ZINC000329917008 444768320 /nfs/dbraw/zinc/76/83/20/444768320.db2.gz QPLJBDCTFJPSJO-OAHLLOKOSA-N 2 1 329.510 1.616 20 30 EDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCSC[C@H]2CCO)CC1 ZINC000329917008 444768324 /nfs/dbraw/zinc/76/83/24/444768324.db2.gz QPLJBDCTFJPSJO-OAHLLOKOSA-N 2 1 329.510 1.616 20 30 EDEDMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000330849378 445165412 /nfs/dbraw/zinc/16/54/12/445165412.db2.gz PYDGTIXKFHVEBI-HNNXBMFYSA-N 2 1 326.485 1.474 20 30 EDEDMP CC#CCN(C)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000339755086 445166991 /nfs/dbraw/zinc/16/69/91/445166991.db2.gz VFCJXCHVLBXEOV-UHFFFAOYSA-N 2 1 343.471 1.685 20 30 EDEDMP CC#CCN(C)CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000339755086 445166995 /nfs/dbraw/zinc/16/69/95/445166995.db2.gz VFCJXCHVLBXEOV-UHFFFAOYSA-N 2 1 343.471 1.685 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000364547089 445931007 /nfs/dbraw/zinc/93/10/07/445931007.db2.gz OVDIOYZMLKQAQX-BHIYHBOVSA-N 2 1 347.503 1.337 20 30 EDEDMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc(C#N)cc2)C[C@H]1C ZINC000354203833 445996931 /nfs/dbraw/zinc/99/69/31/445996931.db2.gz CKTMRWDYHPBJTI-CRAIPNDOSA-N 2 1 328.460 1.979 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000371254018 446717689 /nfs/dbraw/zinc/71/76/89/446717689.db2.gz QTEVJOLRGAEJBZ-PMOLBWCYSA-N 2 1 337.467 1.578 20 30 EDEDMP N#CCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424187789 446862707 /nfs/dbraw/zinc/86/27/07/446862707.db2.gz BJASWSIRWDQLCI-QGZVFWFLSA-N 2 1 343.475 1.117 20 30 EDEDMP C#CC(C)(C)[N@H+](C)CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000368490159 446894209 /nfs/dbraw/zinc/89/42/09/446894209.db2.gz KYAKVLKBVSSXLH-GOSISDBHSA-N 2 1 343.471 1.347 20 30 EDEDMP C#CC(C)(C)[N@@H+](C)CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000368490159 446894215 /nfs/dbraw/zinc/89/42/15/446894215.db2.gz KYAKVLKBVSSXLH-GOSISDBHSA-N 2 1 343.471 1.347 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC000491370820 448005189 /nfs/dbraw/zinc/00/51/89/448005189.db2.gz BGDVJRJOPKDOFR-QGZVFWFLSA-N 2 1 338.496 1.084 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCOC)[C@H](CCC)C1 ZINC000491370820 448005190 /nfs/dbraw/zinc/00/51/90/448005190.db2.gz BGDVJRJOPKDOFR-QGZVFWFLSA-N 2 1 338.496 1.084 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CCOC)[C@H](CCC)C1 ZINC000491370820 448005193 /nfs/dbraw/zinc/00/51/93/448005193.db2.gz BGDVJRJOPKDOFR-QGZVFWFLSA-N 2 1 338.496 1.084 20 30 EDEDMP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)C[C@@H](C)O1 ZINC000525885521 448047146 /nfs/dbraw/zinc/04/71/46/448047146.db2.gz ASMILPGFHSTAKA-HZPDHXFCSA-N 2 1 348.491 1.370 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COCc2ccc(OC)cc2)CC1 ZINC000563618093 448308819 /nfs/dbraw/zinc/30/88/19/448308819.db2.gz ZMWFJHAGKOPUMM-SFHVURJKSA-N 2 1 334.460 1.813 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000540898786 448651074 /nfs/dbraw/zinc/65/10/74/448651074.db2.gz MQPGSHUTZGDJQG-QGZVFWFLSA-N 2 1 326.444 1.613 20 30 EDEDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000519759490 448837711 /nfs/dbraw/zinc/83/77/11/448837711.db2.gz JZRIAXHXUDIEIO-KRWDZBQOSA-N 2 1 328.416 1.873 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(C#N)nc1 ZINC000599248812 449829823 /nfs/dbraw/zinc/82/98/23/449829823.db2.gz APGAFHTTYSHFME-GOSISDBHSA-N 2 1 343.475 1.370 20 30 EDEDMP C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000602844755 449851362 /nfs/dbraw/zinc/85/13/62/449851362.db2.gz FJKPWISXYQMVCB-SFHVURJKSA-N 2 1 327.432 1.402 20 30 EDEDMP C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000602844755 449851365 /nfs/dbraw/zinc/85/13/65/449851365.db2.gz FJKPWISXYQMVCB-SFHVURJKSA-N 2 1 327.432 1.402 20 30 EDEDMP C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000602844754 449852360 /nfs/dbraw/zinc/85/23/60/449852360.db2.gz FJKPWISXYQMVCB-GOSISDBHSA-N 2 1 327.432 1.402 20 30 EDEDMP C[C@](C#N)(NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000602844754 449852367 /nfs/dbraw/zinc/85/23/67/449852367.db2.gz FJKPWISXYQMVCB-GOSISDBHSA-N 2 1 327.432 1.402 20 30 EDEDMP C[C@H](CO)[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661440852 453818428 /nfs/dbraw/zinc/81/84/28/453818428.db2.gz FIYIQVKGRZSGMD-ZRNYENFQSA-N 2 1 336.520 1.956 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(=O)N(C)C)c1 ZINC000264066421 535549751 /nfs/dbraw/zinc/54/97/51/535549751.db2.gz BLLDEYQJVHXTRT-MRXNPFEDSA-N 2 1 331.464 1.277 20 30 EDEDMP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000780398342 580521391 /nfs/dbraw/zinc/52/13/91/580521391.db2.gz OGWMYCVSPRJDAE-CTDFXDFQSA-N 2 1 337.467 1.942 20 30 EDEDMP C#CCN1CCN(C(=O)CN2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000780398342 580521392 /nfs/dbraw/zinc/52/13/92/580521392.db2.gz OGWMYCVSPRJDAE-CTDFXDFQSA-N 2 1 337.467 1.942 20 30 EDEDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCCC#N ZINC000787301605 580692278 /nfs/dbraw/zinc/69/22/78/580692278.db2.gz IZGUXMNHAIRVOT-HZPDHXFCSA-N 2 1 328.460 1.762 20 30 EDEDMP C#CCCCS(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000791420670 580792152 /nfs/dbraw/zinc/79/21/52/580792152.db2.gz AKCAGNSYIWZNIO-INIZCTEOSA-N 2 1 329.510 1.078 20 30 EDEDMP C#CCCCS(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000791420670 580792153 /nfs/dbraw/zinc/79/21/53/580792153.db2.gz AKCAGNSYIWZNIO-INIZCTEOSA-N 2 1 329.510 1.078 20 30 EDEDMP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@@H]3C)ccc2C#N)CC[NH+]1C ZINC000895737756 591265045 /nfs/dbraw/zinc/26/50/45/591265045.db2.gz YBJLIXBPUVOUBQ-RRCSTGOVSA-N 2 1 328.464 1.962 20 30 EDEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@@H]3CC[N@H+](C)[C@@H]3C)n2)CC[NH+]1C ZINC000895737756 591265046 /nfs/dbraw/zinc/26/50/46/591265046.db2.gz YBJLIXBPUVOUBQ-RRCSTGOVSA-N 2 1 328.464 1.962 20 30 EDEDMP C[C@@H]1[C@H](Nc2ccc(C#N)c(N[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)CC[NH+]1C ZINC000895737756 591265048 /nfs/dbraw/zinc/26/50/48/591265048.db2.gz YBJLIXBPUVOUBQ-RRCSTGOVSA-N 2 1 328.464 1.962 20 30 EDEDMP COc1cc(C#N)ccc1CONC(=[NH2+])[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000902807105 592062907 /nfs/dbraw/zinc/06/29/07/592062907.db2.gz ALDVWAYERVJAOM-GOEBONIOSA-N 2 1 330.388 1.429 20 30 EDEDMP N#CC1(CCCC[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)CCC1 ZINC000903770055 592310627 /nfs/dbraw/zinc/31/06/27/592310627.db2.gz RVEWWFURZDXPIW-UHFFFAOYSA-N 2 1 333.480 1.493 20 30 EDEDMP C=CCC[N@@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000840055580 593430328 /nfs/dbraw/zinc/43/03/28/593430328.db2.gz WHBBHTDVOXZEII-CALCHBBNSA-N 2 1 327.428 1.569 20 30 EDEDMP C=CCC[N@H+](C)CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000840055580 593430330 /nfs/dbraw/zinc/43/03/30/593430330.db2.gz WHBBHTDVOXZEII-CALCHBBNSA-N 2 1 327.428 1.569 20 30 EDEDMP C=CCC[NH+](C)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000840055580 593430332 /nfs/dbraw/zinc/43/03/32/593430332.db2.gz WHBBHTDVOXZEII-CALCHBBNSA-N 2 1 327.428 1.569 20 30 EDEDMP C=CCC[NH+](C)CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000840055580 593430333 /nfs/dbraw/zinc/43/03/33/593430333.db2.gz WHBBHTDVOXZEII-CALCHBBNSA-N 2 1 327.428 1.569 20 30 EDEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCOCCC#N)C2)ccn1 ZINC000856584913 596022680 /nfs/dbraw/zinc/02/26/80/596022680.db2.gz UQUWSNSZWDGJKY-GOSISDBHSA-N 2 1 332.448 1.917 20 30 EDEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCOCCC#N)C2)ccn1 ZINC000856584913 596022685 /nfs/dbraw/zinc/02/26/85/596022685.db2.gz UQUWSNSZWDGJKY-GOSISDBHSA-N 2 1 332.448 1.917 20 30 EDEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCOCCC#N)C2)ccn1 ZINC000856584913 596022692 /nfs/dbraw/zinc/02/26/92/596022692.db2.gz UQUWSNSZWDGJKY-GOSISDBHSA-N 2 1 332.448 1.917 20 30 EDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000884421694 598100785 /nfs/dbraw/zinc/10/07/85/598100785.db2.gz BNOSJPZUDZOIFN-FXQQTDPRSA-N 2 1 330.476 1.364 20 30 EDEDMP CC[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@@H+]2CC)ccc1C#N ZINC000882959273 598117160 /nfs/dbraw/zinc/11/71/60/598117160.db2.gz AAVBWIQFRBOJOS-HZPDHXFCSA-N 2 1 328.464 1.965 20 30 EDEDMP CC[NH+]1CC[C@@H]1CNc1ccc(C#N)c(NC[C@H]2CC[N@@H+]2CC)n1 ZINC000882959273 598117161 /nfs/dbraw/zinc/11/71/61/598117161.db2.gz AAVBWIQFRBOJOS-HZPDHXFCSA-N 2 1 328.464 1.965 20 30 EDEDMP CC[NH+]1CC[C@@H]1CNc1ccc(C#N)c(NC[C@H]2CC[N@H+]2CC)n1 ZINC000882959273 598117162 /nfs/dbraw/zinc/11/71/62/598117162.db2.gz AAVBWIQFRBOJOS-HZPDHXFCSA-N 2 1 328.464 1.965 20 30 EDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)CC1 ZINC001040817139 696988451 /nfs/dbraw/zinc/98/84/51/696988451.db2.gz KXWVBYWHCDNNGZ-QGZVFWFLSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)CC1 ZINC001040817139 696988454 /nfs/dbraw/zinc/98/84/54/696988454.db2.gz KXWVBYWHCDNNGZ-QGZVFWFLSA-N 2 1 335.492 1.596 20 30 EDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943518461 698433616 /nfs/dbraw/zinc/43/36/16/698433616.db2.gz SGMSDFMIERNDHS-WBVHZDCISA-N 2 1 333.480 1.461 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cscn3)C2)CC1 ZINC000939813016 699960430 /nfs/dbraw/zinc/96/04/30/699960430.db2.gz XMVCGTTXUQRMOA-WMLDXEAASA-N 2 1 346.500 1.425 20 30 EDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091519 701135139 /nfs/dbraw/zinc/13/51/39/701135139.db2.gz VRDBMAGMKVMKDY-KRWDZBQOSA-N 2 1 345.491 1.298 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC000999189833 706632040 /nfs/dbraw/zinc/63/20/40/706632040.db2.gz NGEOJUJRMGOYLI-ATZDWAIDSA-N 2 1 340.471 1.979 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3C#N)C(C)(C)C2)C1 ZINC000996618512 702925175 /nfs/dbraw/zinc/92/51/75/702925175.db2.gz XLJZAZWHPWRRJM-QZTJIDSGSA-N 2 1 340.471 1.837 20 30 EDEDMP CC#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000996766316 703057972 /nfs/dbraw/zinc/05/79/72/703057972.db2.gz PTUNZDPGMJLPJZ-ACBHZAAOSA-N 2 1 346.519 1.149 20 30 EDEDMP C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997003520 703267481 /nfs/dbraw/zinc/26/74/81/703267481.db2.gz AIYGTTCUDWTRNP-RISCZKNCSA-N 2 1 344.297 1.673 20 30 EDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942839787 703353484 /nfs/dbraw/zinc/35/34/84/703353484.db2.gz VCHRGSWLBKGFFN-ZBFHGGJFSA-N 2 1 332.448 1.897 20 30 EDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942839787 703353487 /nfs/dbraw/zinc/35/34/87/703353487.db2.gz VCHRGSWLBKGFFN-ZBFHGGJFSA-N 2 1 332.448 1.897 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@@H](CC)OC)CC1 ZINC000997146545 703405084 /nfs/dbraw/zinc/40/50/84/703405084.db2.gz CIOPNRAQTGPQOD-QRQLOZEOSA-N 2 1 349.519 1.726 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@@H](CC)OC)CC1 ZINC000997146545 703405085 /nfs/dbraw/zinc/40/50/85/703405085.db2.gz CIOPNRAQTGPQOD-QRQLOZEOSA-N 2 1 349.519 1.726 20 30 EDEDMP CC(C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000185545947 704009175 /nfs/dbraw/zinc/00/91/75/704009175.db2.gz IUMBLWFROVKPKW-NVXWUHKLSA-N 2 1 349.523 1.377 20 30 EDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997748847 704648346 /nfs/dbraw/zinc/64/83/46/704648346.db2.gz PNSHFPJTJQZIQM-WMLDXEAASA-N 2 1 328.460 1.604 20 30 EDEDMP C#CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998191083 705499700 /nfs/dbraw/zinc/49/97/00/705499700.db2.gz SALVULLAGYSQTF-ROUUACIJSA-N 2 1 335.492 1.433 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998191083 705499704 /nfs/dbraw/zinc/49/97/04/705499704.db2.gz SALVULLAGYSQTF-ROUUACIJSA-N 2 1 335.492 1.433 20 30 EDEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000998191083 705499706 /nfs/dbraw/zinc/49/97/06/705499706.db2.gz SALVULLAGYSQTF-ROUUACIJSA-N 2 1 335.492 1.433 20 30 EDEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998191083 705499711 /nfs/dbraw/zinc/49/97/11/705499711.db2.gz SALVULLAGYSQTF-ROUUACIJSA-N 2 1 335.492 1.433 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3cccc(C#N)c3)CC2)C1 ZINC000998274133 705654781 /nfs/dbraw/zinc/65/47/81/705654781.db2.gz RHFVOKGWZNHNHP-IBGZPJMESA-N 2 1 340.471 1.838 20 30 EDEDMP C=CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C(F)(F)F ZINC000998281290 705674154 /nfs/dbraw/zinc/67/41/54/705674154.db2.gz PFKUFUKHSOQPJR-STQMWFEESA-N 2 1 330.354 1.747 20 30 EDEDMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000998554577 705989025 /nfs/dbraw/zinc/98/90/25/705989025.db2.gz YYPKCVPHZDVYCA-ABHNRTSZSA-N 2 1 326.444 1.731 20 30 EDEDMP C=C(Br)C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000999682701 707168640 /nfs/dbraw/zinc/16/86/40/707168640.db2.gz SPMGDMMBQBKQBJ-IYXRBSQSSA-N 2 1 344.297 1.816 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@@H]2CCCO2)CC1 ZINC001032800219 708080641 /nfs/dbraw/zinc/08/06/41/708080641.db2.gz BBGSLKLRPNXFES-FHWLQOOXSA-N 2 1 345.487 1.186 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC3CCOCC3)C2)CC1 ZINC001033683159 708494819 /nfs/dbraw/zinc/49/48/19/708494819.db2.gz FXFRQCAMWXOPLN-IBGZPJMESA-N 2 1 347.503 1.291 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ocnc3C)C2)CC1 ZINC001033684619 708498061 /nfs/dbraw/zinc/49/80/61/708498061.db2.gz PBVCDXHYXJXBDT-QGZVFWFLSA-N 2 1 344.459 1.361 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ocnc3C)C2)CC1 ZINC001033684619 708498063 /nfs/dbraw/zinc/49/80/63/708498063.db2.gz PBVCDXHYXJXBDT-QGZVFWFLSA-N 2 1 344.459 1.361 20 30 EDEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033940673 709146980 /nfs/dbraw/zinc/14/69/80/709146980.db2.gz NYCGORZQUUEDGG-FUHWJXTLSA-N 2 1 328.460 1.700 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033940673 709146982 /nfs/dbraw/zinc/14/69/82/709146982.db2.gz NYCGORZQUUEDGG-FUHWJXTLSA-N 2 1 328.460 1.700 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034663513 710332705 /nfs/dbraw/zinc/33/27/05/710332705.db2.gz BKTPWRCNECKOGF-BZSNNMDCSA-N 2 1 343.475 1.035 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034663513 710332707 /nfs/dbraw/zinc/33/27/07/710332707.db2.gz BKTPWRCNECKOGF-BZSNNMDCSA-N 2 1 343.475 1.035 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC001034663552 710332898 /nfs/dbraw/zinc/33/28/98/710332898.db2.gz CQBDKHNXGHNZAA-ZOBUZTSGSA-N 2 1 346.500 1.758 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC001034663552 710332900 /nfs/dbraw/zinc/33/29/00/710332900.db2.gz CQBDKHNXGHNZAA-ZOBUZTSGSA-N 2 1 346.500 1.758 20 30 EDEDMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C#N)cs3)C2)[C@H]1C(C)C ZINC000922392684 711458000 /nfs/dbraw/zinc/45/80/00/711458000.db2.gz GBETUFPXHRFYMP-SRABZTEZSA-N 2 1 334.489 1.974 20 30 EDEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C#N)cs3)C2)[C@H]1C(C)C ZINC000922392684 711458003 /nfs/dbraw/zinc/45/80/03/711458003.db2.gz GBETUFPXHRFYMP-SRABZTEZSA-N 2 1 334.489 1.974 20 30 EDEDMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001004145798 711555413 /nfs/dbraw/zinc/55/54/13/711555413.db2.gz UVBQQZJLXXPEKK-KRWDZBQOSA-N 2 1 326.444 1.591 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccccc3C#N)CC2)C1 ZINC001004145798 711555416 /nfs/dbraw/zinc/55/54/16/711555416.db2.gz UVBQQZJLXXPEKK-KRWDZBQOSA-N 2 1 326.444 1.591 20 30 EDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(C)C ZINC000343172361 250011113 /nfs/dbraw/zinc/01/11/13/250011113.db2.gz SCXSGUIUUZOEEZ-ROUUACIJSA-N 2 1 334.508 1.191 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000491634253 255135406 /nfs/dbraw/zinc/13/54/06/255135406.db2.gz QNTPBJOXSKPNFJ-UHFFFAOYSA-N 2 1 332.448 1.315 20 30 EDEDMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000357625763 151089980 /nfs/dbraw/zinc/08/99/80/151089980.db2.gz JSHRCAKKSPNWSK-OAHLLOKOSA-N 2 1 344.459 1.664 20 30 EDEDMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000357625763 151089982 /nfs/dbraw/zinc/08/99/82/151089982.db2.gz JSHRCAKKSPNWSK-OAHLLOKOSA-N 2 1 344.459 1.664 20 30 EDEDMP N#Cc1ccc(N2CCC([NH2+]CCC[NH+]3CCC(O)CC3)CC2)cc1 ZINC000285969312 268107694 /nfs/dbraw/zinc/10/76/94/268107694.db2.gz HBSNQYTZKTUEGZ-UHFFFAOYSA-N 2 1 342.487 1.963 20 30 EDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@@H+](CC)C(C)C)CC1 ZINC000104191581 441190713 /nfs/dbraw/zinc/19/07/13/441190713.db2.gz YAHNDPCZTJGNMF-UHFFFAOYSA-N 2 1 327.473 1.242 20 30 EDEDMP CN(C)C(=[NH2+])NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000170914818 442288179 /nfs/dbraw/zinc/28/81/79/442288179.db2.gz RKDWMHSFNOIDMS-UHFFFAOYSA-N 2 1 334.464 1.553 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000264105376 443248470 /nfs/dbraw/zinc/24/84/70/443248470.db2.gz PFOYXFZMJVVMDA-OAHLLOKOSA-N 2 1 340.855 1.000 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCCCC2)nc1 ZINC000264133141 443251902 /nfs/dbraw/zinc/25/19/02/443251902.db2.gz UOUQPMXDPDHFCF-QGZVFWFLSA-N 2 1 344.507 1.961 20 30 EDEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000267430404 443455216 /nfs/dbraw/zinc/45/52/16/443455216.db2.gz MLIBRBMAPSOCFQ-OAHLLOKOSA-N 2 1 334.464 1.983 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000294103058 444102924 /nfs/dbraw/zinc/10/29/24/444102924.db2.gz YJYLNXHFTLXRSP-LJQANCHMSA-N 2 1 327.472 1.970 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000294103058 444102928 /nfs/dbraw/zinc/10/29/28/444102928.db2.gz YJYLNXHFTLXRSP-LJQANCHMSA-N 2 1 327.472 1.970 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000294103058 444102934 /nfs/dbraw/zinc/10/29/34/444102934.db2.gz YJYLNXHFTLXRSP-LJQANCHMSA-N 2 1 327.472 1.970 20 30 EDEDMP C=CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000338235525 444578684 /nfs/dbraw/zinc/57/86/84/444578684.db2.gz UHCAJCWRFCQDTR-UHFFFAOYSA-N 2 1 346.431 1.747 20 30 EDEDMP C=CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000338235525 444578690 /nfs/dbraw/zinc/57/86/90/444578690.db2.gz UHCAJCWRFCQDTR-UHFFFAOYSA-N 2 1 346.431 1.747 20 30 EDEDMP C[NH+](C)[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000330892632 445184730 /nfs/dbraw/zinc/18/47/30/445184730.db2.gz KSKOJYHPMUKALR-ZIAGYGMSSA-N 2 1 325.457 1.174 20 30 EDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H](O)c1ccc(C#N)cc1 ZINC000371296483 446753194 /nfs/dbraw/zinc/75/31/94/446753194.db2.gz ZVUUFBFHVGDZMH-NCXUSEDFSA-N 2 1 329.444 1.775 20 30 EDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H](O)c1ccc(C#N)cc1 ZINC000371296483 446753198 /nfs/dbraw/zinc/75/31/98/446753198.db2.gz ZVUUFBFHVGDZMH-NCXUSEDFSA-N 2 1 329.444 1.775 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000491805354 448133442 /nfs/dbraw/zinc/13/34/42/448133442.db2.gz OECKXSSFTJOUJH-FUHWJXTLSA-N 2 1 332.492 1.600 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000491805354 448133446 /nfs/dbraw/zinc/13/34/46/448133446.db2.gz OECKXSSFTJOUJH-FUHWJXTLSA-N 2 1 332.492 1.600 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000491805354 448133449 /nfs/dbraw/zinc/13/34/49/448133449.db2.gz OECKXSSFTJOUJH-FUHWJXTLSA-N 2 1 332.492 1.600 20 30 EDEDMP Cc1ccc(NCCC[NH2+]C[C@H](O)COc2ccccc2C#N)[nH+]c1 ZINC000600731811 449521882 /nfs/dbraw/zinc/52/18/82/449521882.db2.gz ZYTFPLKJBWHXRJ-KRWDZBQOSA-N 2 1 340.427 2.093 20 30 EDEDMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cccc(C#N)n2)c1 ZINC000602534182 449656443 /nfs/dbraw/zinc/65/64/43/449656443.db2.gz GOLSZCPAUNBURW-UHFFFAOYSA-N 2 1 337.427 1.534 20 30 EDEDMP N#Cc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c(Cl)c1 ZINC000603226677 450158119 /nfs/dbraw/zinc/15/81/19/450158119.db2.gz JUJAJFSWTWTBBG-UHFFFAOYSA-N 2 1 344.850 1.817 20 30 EDEDMP C=CCN(C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[C@H](C)COC ZINC000664128984 452809278 /nfs/dbraw/zinc/80/92/78/452809278.db2.gz DMQZUIGFTCLNPD-CVEARBPZSA-N 2 1 338.496 1.387 20 30 EDEDMP C=CCN(C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H](C)COC ZINC000664128984 452809286 /nfs/dbraw/zinc/80/92/86/452809286.db2.gz DMQZUIGFTCLNPD-CVEARBPZSA-N 2 1 338.496 1.387 20 30 EDEDMP C[C@@H](OCCCNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000104157773 533877868 /nfs/dbraw/zinc/87/78/68/533877868.db2.gz IYVFPLNMTBBQKS-QGZVFWFLSA-N 2 1 348.491 1.781 20 30 EDEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000104174583 533989994 /nfs/dbraw/zinc/98/99/94/533989994.db2.gz DXKHQEOMZTVOPI-CQSZACIVSA-N 2 1 349.479 1.314 20 30 EDEDMP C#CCNC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762926542 580088227 /nfs/dbraw/zinc/08/82/27/580088227.db2.gz KTGKTZWSHSZQBM-UHFFFAOYSA-N 2 1 325.456 1.724 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000900747741 592117275 /nfs/dbraw/zinc/11/72/75/592117275.db2.gz SVPSDQPQRKBPHT-QGZVFWFLSA-N 2 1 345.491 1.216 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000907287204 592585137 /nfs/dbraw/zinc/58/51/37/592585137.db2.gz HCIFCONJYNYLQP-LJQANCHMSA-N 2 1 345.487 1.767 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000838621886 593197310 /nfs/dbraw/zinc/19/73/10/593197310.db2.gz HZJKSCYBKGCOFP-IBGZPJMESA-N 2 1 342.487 1.510 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000838621886 593197312 /nfs/dbraw/zinc/19/73/12/593197312.db2.gz HZJKSCYBKGCOFP-IBGZPJMESA-N 2 1 342.487 1.510 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)[C@@H](Cc2ccccc2)C1 ZINC000838621886 593197314 /nfs/dbraw/zinc/19/73/14/593197314.db2.gz HZJKSCYBKGCOFP-IBGZPJMESA-N 2 1 342.487 1.510 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000838621886 593197317 /nfs/dbraw/zinc/19/73/17/593197317.db2.gz HZJKSCYBKGCOFP-IBGZPJMESA-N 2 1 342.487 1.510 20 30 EDEDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000818997898 593732937 /nfs/dbraw/zinc/73/29/37/593732937.db2.gz NNOUEOXDEJKDKP-ZWKOTPCHSA-N 2 1 344.459 1.124 20 30 EDEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000818997898 593732938 /nfs/dbraw/zinc/73/29/38/593732938.db2.gz NNOUEOXDEJKDKP-ZWKOTPCHSA-N 2 1 344.459 1.124 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000819022668 593734394 /nfs/dbraw/zinc/73/43/94/593734394.db2.gz UWXVWGJIAKEEPB-HNNXBMFYSA-N 2 1 327.469 1.502 20 30 EDEDMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876723717 597306539 /nfs/dbraw/zinc/30/65/39/597306539.db2.gz GEMSYQKHPHOOGG-KBXCAEBGSA-N 2 1 326.444 1.736 20 30 EDEDMP CC(C)[NH+](CCO)Cc1cc(C#N)cc(C[N@H+](CCO)C(C)C)c1 ZINC000877987382 597568161 /nfs/dbraw/zinc/56/81/61/597568161.db2.gz FVUDACXAALNFKW-UHFFFAOYSA-N 2 1 333.476 1.964 20 30 EDEDMP C=CCC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H]1CCCO1 ZINC000883189551 597681383 /nfs/dbraw/zinc/68/13/83/597681383.db2.gz JXBGTNNJWBDHFR-QYZOEREBSA-N 2 1 337.508 1.496 20 30 EDEDMP CC(C)(O)[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C(C)(C)O)C2)C1 ZINC000879963242 597786289 /nfs/dbraw/zinc/78/62/89/597786289.db2.gz HTIULDBESDWLPB-ROUUACIJSA-N 2 1 336.520 1.956 20 30 EDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)C2 ZINC000884327918 598069347 /nfs/dbraw/zinc/06/93/47/598069347.db2.gz FWSMJSMVDIWCNW-KFBJMLPJSA-N 2 1 342.487 1.601 20 30 EDEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC000992746471 695273375 /nfs/dbraw/zinc/27/33/75/695273375.db2.gz WYFCBFIZSDBKMG-NUEKZKHPSA-N 2 1 332.448 1.753 20 30 EDEDMP O=C(NCC1C[NH+](CC#Cc2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675997 697488636 /nfs/dbraw/zinc/48/86/36/697488636.db2.gz ZVHRNYKDOZHHQQ-HXUWFJFHSA-N 2 1 337.467 1.428 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)NCC1CN(CCOc2ccccc2)C1 ZINC001031742811 698328395 /nfs/dbraw/zinc/32/83/95/698328395.db2.gz SJAMCXHPQUZZNR-IBGZPJMESA-N 2 1 341.455 1.211 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000940158280 700290505 /nfs/dbraw/zinc/29/05/05/700290505.db2.gz YJQBJSNAURNZID-INIZCTEOSA-N 2 1 346.500 1.711 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000940158280 700290507 /nfs/dbraw/zinc/29/05/07/700290507.db2.gz YJQBJSNAURNZID-INIZCTEOSA-N 2 1 346.500 1.711 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902104 700976879 /nfs/dbraw/zinc/97/68/79/700976879.db2.gz WNYZHOPTYAOSAH-RXCRORICSA-N 2 1 347.503 1.642 20 30 EDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902104 700976881 /nfs/dbraw/zinc/97/68/81/700976881.db2.gz WNYZHOPTYAOSAH-RXCRORICSA-N 2 1 347.503 1.642 20 30 EDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902104 700976882 /nfs/dbraw/zinc/97/68/82/700976882.db2.gz WNYZHOPTYAOSAH-RXCRORICSA-N 2 1 347.503 1.642 20 30 EDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942055954 702503616 /nfs/dbraw/zinc/50/36/16/702503616.db2.gz DANCFMQZUQOVTO-CVEARBPZSA-N 2 1 333.480 1.461 20 30 EDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC000996415941 702766624 /nfs/dbraw/zinc/76/66/24/702766624.db2.gz YDIVNQACXUGPSF-CQSZACIVSA-N 2 1 329.872 1.288 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC[C@H]2CCCCO2)CC1 ZINC000996683484 702981082 /nfs/dbraw/zinc/98/10/82/702981082.db2.gz CXXUTDHPTFKFLS-MOPGFXCFSA-N 2 1 347.503 1.624 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC[C@H]2CCCCO2)CC1 ZINC000996683484 702981084 /nfs/dbraw/zinc/98/10/84/702981084.db2.gz CXXUTDHPTFKFLS-MOPGFXCFSA-N 2 1 347.503 1.624 20 30 EDEDMP CC#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000996802371 703088398 /nfs/dbraw/zinc/08/83/98/703088398.db2.gz MSMKEHCGAYOYGA-LMDPOFIKSA-N 2 1 346.519 1.006 20 30 EDEDMP C=C(Br)C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000996993112 703249791 /nfs/dbraw/zinc/24/97/91/703249791.db2.gz APJGVFSIROUTJM-LBPRGKRZSA-N 2 1 344.297 1.817 20 30 EDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000997228355 703503991 /nfs/dbraw/zinc/50/39/91/703503991.db2.gz GTATWDYZCMFXQL-XDAPHXNSSA-N 2 1 345.487 1.090 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000998007461 705172353 /nfs/dbraw/zinc/17/23/53/705172353.db2.gz OHKUADIKTCENCO-KRWDZBQOSA-N 2 1 345.491 1.395 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccccc3C#N)CC2)C1 ZINC000998265240 705632460 /nfs/dbraw/zinc/63/24/60/705632460.db2.gz JUCNYPSOBKLHNK-LJQANCHMSA-N 2 1 340.471 1.838 20 30 EDEDMP CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999683098 707203229 /nfs/dbraw/zinc/20/32/29/707203229.db2.gz VYPZPTIHLIWTEA-VIQWUECVSA-N 2 1 340.471 1.979 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001033297038 707409811 /nfs/dbraw/zinc/40/98/11/707409811.db2.gz FNGMSONPTXWJEU-ROUUACIJSA-N 2 1 335.492 1.596 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706186 707516138 /nfs/dbraw/zinc/51/61/38/707516138.db2.gz WPNNOJWLMIEVAC-ZWKOTPCHSA-N 2 1 335.492 1.432 20 30 EDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706186 707516140 /nfs/dbraw/zinc/51/61/40/707516140.db2.gz WPNNOJWLMIEVAC-ZWKOTPCHSA-N 2 1 335.492 1.432 20 30 EDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000948706186 707516141 /nfs/dbraw/zinc/51/61/41/707516141.db2.gz WPNNOJWLMIEVAC-ZWKOTPCHSA-N 2 1 335.492 1.432 20 30 EDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000948706186 707516142 /nfs/dbraw/zinc/51/61/42/707516142.db2.gz WPNNOJWLMIEVAC-ZWKOTPCHSA-N 2 1 335.492 1.432 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423457 707839309 /nfs/dbraw/zinc/83/93/09/707839309.db2.gz RIQUEIJGCGCIIB-LJQANCHMSA-N 2 1 327.472 1.960 20 30 EDEDMP C=CC[NH+]1CCC(N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC001005408406 708915826 /nfs/dbraw/zinc/91/58/26/708915826.db2.gz YOUKNRBMYDDJMF-QGZVFWFLSA-N 2 1 331.464 1.899 20 30 EDEDMP C=CC[NH+]1CCC(N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC001005408406 708915828 /nfs/dbraw/zinc/91/58/28/708915828.db2.gz YOUKNRBMYDDJMF-QGZVFWFLSA-N 2 1 331.464 1.899 20 30 EDEDMP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001002478453 709027522 /nfs/dbraw/zinc/02/75/22/709027522.db2.gz DHMLPPNRACNETO-GOSISDBHSA-N 2 1 344.434 1.872 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001002478453 709027526 /nfs/dbraw/zinc/02/75/26/709027526.db2.gz DHMLPPNRACNETO-GOSISDBHSA-N 2 1 344.434 1.872 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001005517606 709437877 /nfs/dbraw/zinc/43/78/77/709437877.db2.gz DKLQOMZQIOREGL-MOPGFXCFSA-N 2 1 347.503 1.576 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001005517606 709437879 /nfs/dbraw/zinc/43/78/79/709437879.db2.gz DKLQOMZQIOREGL-MOPGFXCFSA-N 2 1 347.503 1.576 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](C[C@H]3CCOC3)C2)CC1 ZINC001034538823 710211776 /nfs/dbraw/zinc/21/17/76/710211776.db2.gz RSAUQUXFWRTBBA-MJGOQNOKSA-N 2 1 347.503 1.339 20 30 EDEDMP N#Cc1ccc(C[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)cc1F ZINC001004148609 711561582 /nfs/dbraw/zinc/56/15/82/711561582.db2.gz UGMJQNHQJVSVSC-UHFFFAOYSA-N 2 1 344.434 1.874 20 30 EDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642633 712128208 /nfs/dbraw/zinc/12/82/08/712128208.db2.gz OHHGYRIXGGJBJK-ZJPYXAASSA-N 2 1 335.492 1.452 20 30 EDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642633 712128209 /nfs/dbraw/zinc/12/82/09/712128209.db2.gz OHHGYRIXGGJBJK-ZJPYXAASSA-N 2 1 335.492 1.452 20 30 EDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642633 712128210 /nfs/dbraw/zinc/12/82/10/712128210.db2.gz OHHGYRIXGGJBJK-ZJPYXAASSA-N 2 1 335.492 1.452 20 30 EDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642633 712128211 /nfs/dbraw/zinc/12/82/11/712128211.db2.gz OHHGYRIXGGJBJK-ZJPYXAASSA-N 2 1 335.492 1.452 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC001033154281 712164202 /nfs/dbraw/zinc/16/42/02/712164202.db2.gz OISLAUAFCBLPFG-MOPGFXCFSA-N 2 1 340.471 1.520 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2cncc(C)c2)C1 ZINC001033154281 712164203 /nfs/dbraw/zinc/16/42/03/712164203.db2.gz OISLAUAFCBLPFG-MOPGFXCFSA-N 2 1 340.471 1.520 20 30 EDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)CC[C@@H]2C1 ZINC000946652456 712204840 /nfs/dbraw/zinc/20/48/40/712204840.db2.gz UOYFNMSZVFAHIC-FGTMMUONSA-N 2 1 340.471 1.639 20 30 EDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)CC[C@@H]2C1 ZINC000946652529 712205917 /nfs/dbraw/zinc/20/59/17/712205917.db2.gz WJTBARXTGDNNQN-KSZLIROESA-N 2 1 340.471 1.639 20 30 EDEDMP C[N@@H+](CCCNC(=[NH2+])NCCCN1CCOCC1)Cc1ccccc1 ZINC000264081590 249332262 /nfs/dbraw/zinc/33/22/62/249332262.db2.gz IORNXTMYUHKLHP-UHFFFAOYSA-N 2 1 347.507 1.135 20 30 EDEDMP C[N@H+](CCCNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000264081590 249332265 /nfs/dbraw/zinc/33/22/65/249332265.db2.gz IORNXTMYUHKLHP-UHFFFAOYSA-N 3 1 347.507 1.135 20 30 EDEDMP C[N@@H+](CCCNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000264081590 249332269 /nfs/dbraw/zinc/33/22/69/249332269.db2.gz IORNXTMYUHKLHP-UHFFFAOYSA-N 3 1 347.507 1.135 20 30 EDEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377266636 250287437 /nfs/dbraw/zinc/28/74/37/250287437.db2.gz LFUIMLJVGJMELD-QGZVFWFLSA-N 2 1 348.535 1.252 20 30 EDEDMP COc1ccc(CNC(=[NH2+])NCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000104168279 533551666 /nfs/dbraw/zinc/55/16/66/533551666.db2.gz SHRZBRDDPHTVHJ-CQSZACIVSA-N 2 1 334.464 1.840 20 30 EDEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@H]3CNc4c(C#N)cnn4C3)C2)CC1 ZINC000518188168 267333666 /nfs/dbraw/zinc/33/36/66/267333666.db2.gz ZPZFEBIXWGXPHM-GDBMZVCRSA-N 2 1 328.464 1.460 20 30 EDEDMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)COc1ccccc1C#N)CCO2 ZINC000528537585 267334164 /nfs/dbraw/zinc/33/41/64/267334164.db2.gz KJECQHYLWMDZOW-KRWDZBQOSA-N 2 1 345.443 1.095 20 30 EDEDMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)COc1ccccc1C#N)CCO2 ZINC000528537585 267334166 /nfs/dbraw/zinc/33/41/66/267334166.db2.gz KJECQHYLWMDZOW-KRWDZBQOSA-N 2 1 345.443 1.095 20 30 EDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000528389033 268301793 /nfs/dbraw/zinc/30/17/93/268301793.db2.gz RYRXLSIJORUBTP-FUHWJXTLSA-N 2 1 329.444 1.716 20 30 EDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000528389033 268301795 /nfs/dbraw/zinc/30/17/95/268301795.db2.gz RYRXLSIJORUBTP-FUHWJXTLSA-N 2 1 329.444 1.716 20 30 EDEDMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CC#CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000341880623 297095961 /nfs/dbraw/zinc/09/59/61/297095961.db2.gz FVBWDFBZFFQOFG-WTGUMLROSA-N 2 1 330.520 1.327 20 30 EDEDMP C[C@@H]1C[NH+]2CCC[C@H]2CN1CC#CCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000341880623 297095966 /nfs/dbraw/zinc/09/59/66/297095966.db2.gz FVBWDFBZFFQOFG-WTGUMLROSA-N 2 1 330.520 1.327 20 30 EDEDMP C[C@@H]1C[NH+]2CCC[C@H]2CN1CC#CCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000341880623 297095968 /nfs/dbraw/zinc/09/59/68/297095968.db2.gz FVBWDFBZFFQOFG-WTGUMLROSA-N 2 1 330.520 1.327 20 30 EDEDMP COc1ccc([C@H](C)CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000081644227 441299266 /nfs/dbraw/zinc/29/92/66/441299266.db2.gz LJSOETHEHAWOCZ-MRXNPFEDSA-N 2 1 348.491 1.815 20 30 EDEDMP C[C@@H](O)C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000122411339 441848640 /nfs/dbraw/zinc/84/86/40/441848640.db2.gz PVECXRSLISGTFB-AEFFLSMTSA-N 2 1 348.491 1.168 20 30 EDEDMP CC(C)COc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264117648 443249821 /nfs/dbraw/zinc/24/98/21/443249821.db2.gz TWAPHOFZCXMCNI-UHFFFAOYSA-N 2 1 348.491 1.848 20 30 EDEDMP [NH2+]=C(NCCCCOCc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000264324851 443260646 /nfs/dbraw/zinc/26/06/46/443260646.db2.gz YPGHRSIFCXGDRC-UHFFFAOYSA-N 2 1 348.491 1.610 20 30 EDEDMP Cc1ccccc1O[C@@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267436302 443457048 /nfs/dbraw/zinc/45/70/48/443457048.db2.gz NYVJVDKUSRMWMR-INIZCTEOSA-N 2 1 334.464 1.389 20 30 EDEDMP CC(C)CNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267445338 443460647 /nfs/dbraw/zinc/46/06/47/443460647.db2.gz PXJGCSUIMUNIRT-KRWDZBQOSA-N 2 1 345.491 1.444 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000296428391 444228801 /nfs/dbraw/zinc/22/88/01/444228801.db2.gz SDAIXCQYMHGIPV-UHFFFAOYSA-N 2 1 343.475 1.826 20 30 EDEDMP C[C@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000329302935 444527612 /nfs/dbraw/zinc/52/76/12/444527612.db2.gz NQCBZZBFCZITEE-CVEARBPZSA-N 2 1 337.512 1.024 20 30 EDEDMP C[C@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)CN1CC[NH+](C)CC1 ZINC000329302935 444527617 /nfs/dbraw/zinc/52/76/17/444527617.db2.gz NQCBZZBFCZITEE-CVEARBPZSA-N 2 1 337.512 1.024 20 30 EDEDMP C[C@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)CN1CC[NH+](C)CC1 ZINC000329302935 444527622 /nfs/dbraw/zinc/52/76/22/444527622.db2.gz NQCBZZBFCZITEE-CVEARBPZSA-N 2 1 337.512 1.024 20 30 EDEDMP O[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](O)CC23CCC3)C2(CCC2)C1 ZINC000420993765 446971857 /nfs/dbraw/zinc/97/18/57/446971857.db2.gz MKQSIZVMVDRNPX-ROUUACIJSA-N 2 1 332.488 1.749 20 30 EDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3(C#N)CCC3)C2)CC1 ZINC000527297253 448204220 /nfs/dbraw/zinc/20/42/20/448204220.db2.gz SGMPQSUSXIDWCC-IAGOWNOFSA-N 2 1 347.507 1.038 20 30 EDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)NC3(C#N)CCC3)C2)CC1 ZINC000527297253 448204224 /nfs/dbraw/zinc/20/42/24/448204224.db2.gz SGMPQSUSXIDWCC-IAGOWNOFSA-N 2 1 347.507 1.038 20 30 EDEDMP CN(C)c1ncccc1O[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598615713 449495400 /nfs/dbraw/zinc/49/54/00/449495400.db2.gz CRYGRYMFIWNJSS-LSDHHAIUSA-N 2 1 332.448 1.901 20 30 EDEDMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594437019 449516014 /nfs/dbraw/zinc/51/60/14/449516014.db2.gz SHXVGJYNNMGKBP-DLBZAZTESA-N 2 1 335.496 1.026 20 30 EDEDMP N#CC1(c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000594919309 449808108 /nfs/dbraw/zinc/80/81/08/449808108.db2.gz HWQOWGWSMHKRMG-QGZVFWFLSA-N 2 1 340.471 1.919 20 30 EDEDMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000619622480 450285265 /nfs/dbraw/zinc/28/52/65/450285265.db2.gz DMXGHEHMEHQNNG-SFHVURJKSA-N 2 1 331.460 1.910 20 30 EDEDMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000619622480 450285271 /nfs/dbraw/zinc/28/52/71/450285271.db2.gz DMXGHEHMEHQNNG-SFHVURJKSA-N 2 1 331.460 1.910 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](CCOCC)CC2)CC1 ZINC000111859379 526587149 /nfs/dbraw/zinc/58/71/49/526587149.db2.gz SHUMHCRKBUORGE-UHFFFAOYSA-N 2 1 338.496 1.391 20 30 EDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000264104254 536520678 /nfs/dbraw/zinc/52/06/78/536520678.db2.gz NIJSYLRGTJVZDC-RHSMWYFYSA-N 2 1 334.464 1.771 20 30 EDEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262447095 535265134 /nfs/dbraw/zinc/26/51/34/535265134.db2.gz VKAXNJYKXLHYBO-GMBUGEKQSA-N 2 1 334.508 1.980 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000764271696 580116837 /nfs/dbraw/zinc/11/68/37/580116837.db2.gz HHARFLPGSXBANE-KRWDZBQOSA-N 2 1 330.476 1.431 20 30 EDEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCCO1 ZINC000912498846 593100815 /nfs/dbraw/zinc/10/08/15/593100815.db2.gz KFEFUNHLQKHVQP-OAHLLOKOSA-N 2 1 326.485 1.221 20 30 EDEDMP CCC(CC)[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000852856626 595577725 /nfs/dbraw/zinc/57/77/25/595577725.db2.gz CJDLGLBZBHVLNU-GOSISDBHSA-N 2 1 335.492 1.243 20 30 EDEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856591901 596027391 /nfs/dbraw/zinc/02/73/91/596027391.db2.gz DAMAYPNTWHPKBA-YJBOKZPZSA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856591901 596027395 /nfs/dbraw/zinc/02/73/95/596027395.db2.gz DAMAYPNTWHPKBA-YJBOKZPZSA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591901 596027398 /nfs/dbraw/zinc/02/73/98/596027398.db2.gz DAMAYPNTWHPKBA-YJBOKZPZSA-N 2 1 346.475 1.677 20 30 EDEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591901 596027401 /nfs/dbraw/zinc/02/74/01/596027401.db2.gz DAMAYPNTWHPKBA-YJBOKZPZSA-N 2 1 346.475 1.677 20 30 EDEDMP C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000876989134 597406124 /nfs/dbraw/zinc/40/61/24/597406124.db2.gz PFIKNMMEGXNUHR-KRWDZBQOSA-N 2 1 325.456 1.722 20 30 EDEDMP C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000876989134 597406126 /nfs/dbraw/zinc/40/61/26/597406126.db2.gz PFIKNMMEGXNUHR-KRWDZBQOSA-N 2 1 325.456 1.722 20 30 EDEDMP C[C@@H]1C[C@H](O)C[NH+]1Cc1cc(C#N)cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000878318975 597594963 /nfs/dbraw/zinc/59/49/63/597594963.db2.gz FYWLAPAREOVHQD-QZCPTFHJSA-N 2 1 329.444 1.468 20 30 EDEDMP C#CCN(C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)C1CC[NH+](C)CC1 ZINC000921426821 697603742 /nfs/dbraw/zinc/60/37/42/697603742.db2.gz MWTJZRWTJOPIIU-QGZVFWFLSA-N 2 1 334.508 1.703 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C)c(C)c2)C1 ZINC001031741365 698310755 /nfs/dbraw/zinc/31/07/55/698310755.db2.gz XLOAHDNAFOXKGD-FQEVSTJZSA-N 2 1 339.483 1.949 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)C1 ZINC000941595742 701587355 /nfs/dbraw/zinc/58/73/55/701587355.db2.gz NCZIHSFGSNKRFW-LJQANCHMSA-N 2 1 348.535 1.654 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000941615006 701597143 /nfs/dbraw/zinc/59/71/43/701597143.db2.gz MHYHPRZDPIKEDQ-UHFFFAOYSA-N 2 1 334.508 1.123 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000995923129 702247644 /nfs/dbraw/zinc/24/76/44/702247644.db2.gz LUHQBWDDUXCIAY-ZWKOTPCHSA-N 2 1 340.471 1.506 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000995923129 702247651 /nfs/dbraw/zinc/24/76/51/702247651.db2.gz LUHQBWDDUXCIAY-ZWKOTPCHSA-N 2 1 340.471 1.506 20 30 EDEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997271265 703533761 /nfs/dbraw/zinc/53/37/61/703533761.db2.gz IBJIEDZYSZIRAN-SJLPKXTDSA-N 2 1 335.492 1.336 20 30 EDEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997271265 703533762 /nfs/dbraw/zinc/53/37/62/703533762.db2.gz IBJIEDZYSZIRAN-SJLPKXTDSA-N 2 1 335.492 1.336 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000998718010 706149920 /nfs/dbraw/zinc/14/99/20/706149920.db2.gz AFVHLHGPFDHATE-SJLPKXTDSA-N 2 1 344.434 1.872 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnccc2C)C1 ZINC000999394360 706888765 /nfs/dbraw/zinc/88/87/65/706888765.db2.gz COQXBAIGGAAHIA-OALUTQOASA-N 2 1 340.471 1.568 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnccc2C)C1 ZINC000999394360 706888767 /nfs/dbraw/zinc/88/87/67/706888767.db2.gz COQXBAIGGAAHIA-OALUTQOASA-N 2 1 340.471 1.568 20 30 EDEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999997830 707679751 /nfs/dbraw/zinc/67/97/51/707679751.db2.gz JJERTAPAGFENFO-CABCVRRESA-N 2 1 329.872 1.429 20 30 EDEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999997830 707679753 /nfs/dbraw/zinc/67/97/53/707679753.db2.gz JJERTAPAGFENFO-CABCVRRESA-N 2 1 329.872 1.429 20 30 EDEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033955587 709137584 /nfs/dbraw/zinc/13/75/84/709137584.db2.gz AIESKOVEDSTABA-IAGOWNOFSA-N 2 1 328.460 1.700 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033955587 709137586 /nfs/dbraw/zinc/13/75/86/709137586.db2.gz AIESKOVEDSTABA-IAGOWNOFSA-N 2 1 328.460 1.700 20 30 EDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312269 709758224 /nfs/dbraw/zinc/75/82/24/709758224.db2.gz OMYUZTKQFGZLAA-INIZCTEOSA-N 2 1 328.460 1.756 20 30 EDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034312269 709758226 /nfs/dbraw/zinc/75/82/26/709758226.db2.gz OMYUZTKQFGZLAA-INIZCTEOSA-N 2 1 328.460 1.756 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nocc2C)CC1 ZINC001034663498 710332792 /nfs/dbraw/zinc/33/27/92/710332792.db2.gz ATJKZMJRLSZXFF-BQFCYCMXSA-N 2 1 344.459 1.598 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nocc2C)CC1 ZINC001034663498 710332794 /nfs/dbraw/zinc/33/27/94/710332794.db2.gz ATJKZMJRLSZXFF-BQFCYCMXSA-N 2 1 344.459 1.598 20 30 EDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004618495 712079098 /nfs/dbraw/zinc/07/90/98/712079098.db2.gz XFMLJLXHFGHNJD-QZTJIDSGSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004618495 712079099 /nfs/dbraw/zinc/07/90/99/712079099.db2.gz XFMLJLXHFGHNJD-QZTJIDSGSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004618495 712079101 /nfs/dbraw/zinc/07/91/01/712079101.db2.gz XFMLJLXHFGHNJD-QZTJIDSGSA-N 2 1 333.476 1.043 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001004618495 712079102 /nfs/dbraw/zinc/07/91/02/712079102.db2.gz XFMLJLXHFGHNJD-QZTJIDSGSA-N 2 1 333.476 1.043 20 30 EDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000107370389 204235044 /nfs/dbraw/zinc/23/50/44/204235044.db2.gz WWQRFZNCWDQDDI-GOSISDBHSA-N 2 1 328.460 1.649 20 30 EDEDMP C[NH+]=C(NCCc1c(C)noc1C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262786385 249323924 /nfs/dbraw/zinc/32/39/24/249323924.db2.gz MPYYBSLZUDOINX-MRXNPFEDSA-N 2 1 349.479 1.063 20 30 EDEDMP CN1CC[NH+]=C1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000263209081 249329139 /nfs/dbraw/zinc/32/91/39/249329139.db2.gz YSZMDZCIGVKAEA-SFHVURJKSA-N 2 1 342.487 1.806 20 30 EDEDMP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000424126457 252132437 /nfs/dbraw/zinc/13/24/37/252132437.db2.gz BTMVLVIJBITOOV-HZPDHXFCSA-N 2 1 343.431 1.096 20 30 EDEDMP N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000424126457 252132441 /nfs/dbraw/zinc/13/24/41/252132441.db2.gz BTMVLVIJBITOOV-HZPDHXFCSA-N 2 1 343.431 1.096 20 30 EDEDMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)o1 ZINC000120412612 442066507 /nfs/dbraw/zinc/06/65/07/442066507.db2.gz PMQQIIUETYTIJY-SFHVURJKSA-N 2 1 340.427 1.530 20 30 EDEDMP C[C@](C#N)(NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC1 ZINC000246924863 442822799 /nfs/dbraw/zinc/82/27/99/442822799.db2.gz SSRWWRBTUOUYKQ-DKSSEZFCSA-N 2 1 330.476 1.744 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1-n1cccn1 ZINC000264132700 443252163 /nfs/dbraw/zinc/25/21/63/443252163.db2.gz YHNYFPSJJLVGCV-MRXNPFEDSA-N 2 1 326.448 1.761 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncnn1-c1ccccc1 ZINC000278639500 443386879 /nfs/dbraw/zinc/38/68/79/443386879.db2.gz ZAOZWAWJJQYZFW-HNNXBMFYSA-N 2 1 327.436 1.156 20 30 EDEDMP C=CCN(CC=C)C(=O)[C@H](C)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000271740703 443511976 /nfs/dbraw/zinc/51/19/76/443511976.db2.gz WGHSPOJIMXNTGG-KRWDZBQOSA-N 2 1 336.524 1.533 20 30 EDEDMP CC1CCN(C(=[NH2+])NCC2([NH+]3CCCCC3)CCN(C)CC2)CC1 ZINC000304286778 444245627 /nfs/dbraw/zinc/24/56/27/444245627.db2.gz ILPZZTUPPYMLMR-UHFFFAOYSA-N 2 1 335.540 1.983 20 30 EDEDMP O=C(C[N@@H+]1CCc2cc[nH]c(=O)c2C1)NC1CC[NH+](C2CC2)CC1 ZINC000330270636 444916203 /nfs/dbraw/zinc/91/62/03/444916203.db2.gz UNXKGSBAMVFCJM-UHFFFAOYSA-N 2 1 330.432 1.729 20 30 EDEDMP O=C(C[N@H+]1CCc2cc[nH]c(=O)c2C1)NC1CC[NH+](C2CC2)CC1 ZINC000330270636 444916206 /nfs/dbraw/zinc/91/62/06/444916206.db2.gz UNXKGSBAMVFCJM-UHFFFAOYSA-N 2 1 330.432 1.729 20 30 EDEDMP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000584181073 326216312 /nfs/dbraw/zinc/21/63/12/326216312.db2.gz NFRJDTRQUAAFCD-UHFFFAOYSA-N 2 1 344.459 1.712 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)C2([NH+]3CCN(C)CC3)CCCC2)CC1 ZINC000369933661 446168767 /nfs/dbraw/zinc/16/87/67/446168767.db2.gz FLTOSFKEODXBEZ-UHFFFAOYSA-N 2 1 348.535 1.703 20 30 EDEDMP C[C@H](c1ccc(NC[C@H](O)CN(C)CCC#N)cc1)[NH+]1CCOCC1 ZINC000566734174 448547477 /nfs/dbraw/zinc/54/74/77/448547477.db2.gz WELBRPREDLBEPL-APWZRJJASA-N 2 1 346.475 1.698 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000519538671 448781112 /nfs/dbraw/zinc/78/11/12/448781112.db2.gz IZLIKDHJSQQVBR-BQFCYCMXSA-N 2 1 325.497 1.087 20 30 EDEDMP N#Cc1cnccc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000592478415 448854217 /nfs/dbraw/zinc/85/42/17/448854217.db2.gz APUAMCNAKPLWSB-PBHICJAKSA-N 2 1 327.432 1.033 20 30 EDEDMP N#Cc1cnccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000592478415 448854223 /nfs/dbraw/zinc/85/42/23/448854223.db2.gz APUAMCNAKPLWSB-PBHICJAKSA-N 2 1 327.432 1.033 20 30 EDEDMP CN(CCC#N)C[C@@H](O)C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000575348741 449082545 /nfs/dbraw/zinc/08/25/45/449082545.db2.gz CNZHYZIJAUPMON-IBGZPJMESA-N 2 1 330.476 1.231 20 30 EDEDMP CN(CCC#N)C[C@@H](O)C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000575348741 449082550 /nfs/dbraw/zinc/08/25/50/449082550.db2.gz CNZHYZIJAUPMON-IBGZPJMESA-N 2 1 330.476 1.231 20 30 EDEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000602086917 449333501 /nfs/dbraw/zinc/33/35/01/449333501.db2.gz CTFKOTRZNKKVLX-SFHVURJKSA-N 2 1 328.460 1.933 20 30 EDEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000594437139 449517182 /nfs/dbraw/zinc/51/71/82/449517182.db2.gz IPRRGBCQKOUHSL-MAUKXSAKSA-N 2 1 328.460 1.961 20 30 EDEDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508163 450196209 /nfs/dbraw/zinc/19/62/09/450196209.db2.gz UQGDVEWRFFUQGM-QUCCMNQESA-N 2 1 343.471 1.910 20 30 EDEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508163 450196214 /nfs/dbraw/zinc/19/62/14/450196214.db2.gz UQGDVEWRFFUQGM-QUCCMNQESA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508163 450196219 /nfs/dbraw/zinc/19/62/19/450196219.db2.gz UQGDVEWRFFUQGM-QUCCMNQESA-N 2 1 343.471 1.910 20 30 EDEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C2 ZINC000595508163 450196224 /nfs/dbraw/zinc/19/62/24/450196224.db2.gz UQGDVEWRFFUQGM-QUCCMNQESA-N 2 1 343.471 1.910 20 30 EDEDMP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cccc(C#N)c1 ZINC000610771549 450330701 /nfs/dbraw/zinc/33/07/01/450330701.db2.gz ZKKLIFIBVRISPV-HNNXBMFYSA-N 2 1 336.443 1.951 20 30 EDEDMP C=CCC1([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCOCC1 ZINC000657633793 452406842 /nfs/dbraw/zinc/40/68/42/452406842.db2.gz XCRLOFBGHUWJHF-UHFFFAOYSA-N 2 1 331.464 1.443 20 30 EDEDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C2 ZINC000903494726 592186685 /nfs/dbraw/zinc/18/66/85/592186685.db2.gz MBSLINYQKYNMHM-LXZKKBNFSA-N 2 1 333.819 1.924 20 30 EDEDMP COc1cc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)ccc1C#N ZINC000904450061 592264034 /nfs/dbraw/zinc/26/40/34/592264034.db2.gz PNUUZXWIRPLDCO-KRWDZBQOSA-N 2 1 338.411 1.992 20 30 EDEDMP COC[C@@H](C)C[NH+]=C(NCCC[NH+]1CCOCC1)NC(C)(C)C ZINC000912505672 593101274 /nfs/dbraw/zinc/10/12/74/593101274.db2.gz CRRPRUGEDXRSIM-HNNXBMFYSA-N 2 1 328.501 1.325 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 ZINC000813325966 593526626 /nfs/dbraw/zinc/52/66/26/593526626.db2.gz NNUIBTSDBDTQCM-CYBMUJFWSA-N 2 1 342.443 1.908 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000815652261 593645797 /nfs/dbraw/zinc/64/57/97/593645797.db2.gz VOPQRFPUIVAGMI-QUCCMNQESA-N 2 1 329.488 1.821 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000815652261 593645799 /nfs/dbraw/zinc/64/57/99/593645799.db2.gz VOPQRFPUIVAGMI-QUCCMNQESA-N 2 1 329.488 1.821 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(C#N)CCSCC1 ZINC000824818460 594079826 /nfs/dbraw/zinc/07/98/26/594079826.db2.gz GNBXCDDDPRREFJ-AWEZNQCLSA-N 2 1 326.510 1.412 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(C#N)CCSCC1 ZINC000824818460 594079828 /nfs/dbraw/zinc/07/98/28/594079828.db2.gz GNBXCDDDPRREFJ-AWEZNQCLSA-N 2 1 326.510 1.412 20 30 EDEDMP CN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852883383 595596670 /nfs/dbraw/zinc/59/66/70/595596670.db2.gz JYVXFOODZQISOX-IBGZPJMESA-N 2 1 325.456 1.722 20 30 EDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000876716928 597302669 /nfs/dbraw/zinc/30/26/69/597302669.db2.gz QRAVZUAZUSKHCZ-CABCVRRESA-N 2 1 331.888 1.710 20 30 EDEDMP N#Cc1cc(C[NH+]2CCC[C@H](O)C2)cc(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000877934911 597564799 /nfs/dbraw/zinc/56/47/99/597564799.db2.gz HUZCXPRJHZZAMV-KDURUIRLSA-N 2 1 329.444 1.472 20 30 EDEDMP N#Cc1cc(C[NH+]2CCC[C@@H](O)C2)cc(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000877934911 597564800 /nfs/dbraw/zinc/56/48/00/597564800.db2.gz HUZCXPRJHZZAMV-KDURUIRLSA-N 2 1 329.444 1.472 20 30 EDEDMP N#Cc1cc(C[NH+]2CCC[C@@H](O)C2)cc(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000877934911 597564801 /nfs/dbraw/zinc/56/48/01/597564801.db2.gz HUZCXPRJHZZAMV-KDURUIRLSA-N 2 1 329.444 1.472 20 30 EDEDMP N#Cc1cc(C[NH+]2CCC[C@H](O)C2)cc(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000877934912 597564961 /nfs/dbraw/zinc/56/49/61/597564961.db2.gz HUZCXPRJHZZAMV-OALUTQOASA-N 2 1 329.444 1.472 20 30 EDEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@H]21 ZINC000992842961 695401903 /nfs/dbraw/zinc/40/19/03/695401903.db2.gz OJTUARGWFZDTIG-ATZDWAIDSA-N 2 1 349.438 1.731 20 30 EDEDMP C#CCN(C(=O)NC[C@H](C)Cn1cc[nH+]c1C)C1CC[NH+](C)CC1 ZINC000915656872 695964036 /nfs/dbraw/zinc/96/40/36/695964036.db2.gz DHJRJJWFKUZUCE-HNNXBMFYSA-N 2 1 331.464 1.567 20 30 EDEDMP C=CCN1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941602884 701593285 /nfs/dbraw/zinc/59/32/85/701593285.db2.gz CILJDHZAJCGGBR-WMZOPIPTSA-N 2 1 332.492 1.018 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941602884 701593286 /nfs/dbraw/zinc/59/32/86/701593286.db2.gz CILJDHZAJCGGBR-WMZOPIPTSA-N 2 1 332.492 1.018 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)CC2)C1 ZINC000941602884 701593287 /nfs/dbraw/zinc/59/32/87/701593287.db2.gz CILJDHZAJCGGBR-WMZOPIPTSA-N 2 1 332.492 1.018 20 30 EDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000939409099 699563337 /nfs/dbraw/zinc/56/33/37/699563337.db2.gz RXORVSONIGNBFE-WMLDXEAASA-N 2 1 325.416 1.894 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000941676652 701615474 /nfs/dbraw/zinc/61/54/74/701615474.db2.gz CPHHAKXRDYIQBT-IRXDYDNUSA-N 2 1 334.508 1.264 20 30 EDEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941442965 701542645 /nfs/dbraw/zinc/54/26/45/701542645.db2.gz HSEHTZCADKWEGF-SFHVURJKSA-N 2 1 348.535 1.655 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1(C)C ZINC000995845168 702126395 /nfs/dbraw/zinc/12/63/95/702126395.db2.gz IHCJURGGPBMFOS-CVEARBPZSA-N 2 1 329.448 1.250 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1(C)C ZINC000995845168 702126399 /nfs/dbraw/zinc/12/63/99/702126399.db2.gz IHCJURGGPBMFOS-CVEARBPZSA-N 2 1 329.448 1.250 20 30 EDEDMP C=CC[NH2+][C@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1(C)C ZINC000995851032 702157137 /nfs/dbraw/zinc/15/71/37/702157137.db2.gz XOAJWNHYLYPWHT-CVEARBPZSA-N 2 1 331.464 1.803 20 30 EDEDMP C=CC[NH2+][C@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1(C)C ZINC000995851032 702157141 /nfs/dbraw/zinc/15/71/41/702157141.db2.gz XOAJWNHYLYPWHT-CVEARBPZSA-N 2 1 331.464 1.803 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996684441 702982154 /nfs/dbraw/zinc/98/21/54/702982154.db2.gz JSLAMYMALKBQLR-AEFFLSMTSA-N 2 1 333.476 1.091 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996684441 702982157 /nfs/dbraw/zinc/98/21/57/702982157.db2.gz JSLAMYMALKBQLR-AEFFLSMTSA-N 2 1 333.476 1.091 20 30 EDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001032444351 703621360 /nfs/dbraw/zinc/62/13/60/703621360.db2.gz VZSBZBAGUFLXEY-OKZBNKHCSA-N 2 1 333.476 1.491 20 30 EDEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001032444351 703621362 /nfs/dbraw/zinc/62/13/62/703621362.db2.gz VZSBZBAGUFLXEY-OKZBNKHCSA-N 2 1 333.476 1.491 20 30 EDEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032444351 703621364 /nfs/dbraw/zinc/62/13/64/703621364.db2.gz VZSBZBAGUFLXEY-OKZBNKHCSA-N 2 1 333.476 1.491 20 30 EDEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001032444351 703621365 /nfs/dbraw/zinc/62/13/65/703621365.db2.gz VZSBZBAGUFLXEY-OKZBNKHCSA-N 2 1 333.476 1.491 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001033095536 704182716 /nfs/dbraw/zinc/18/27/16/704182716.db2.gz ZEKAPDVLSXFKFZ-ATZDWAIDSA-N 2 1 340.471 1.931 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001033095536 704182719 /nfs/dbraw/zinc/18/27/19/704182719.db2.gz ZEKAPDVLSXFKFZ-ATZDWAIDSA-N 2 1 340.471 1.931 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)CC[NH+]1C ZINC001033095536 704182721 /nfs/dbraw/zinc/18/27/21/704182721.db2.gz ZEKAPDVLSXFKFZ-ATZDWAIDSA-N 2 1 340.471 1.931 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC=C)CC1 ZINC001004456419 704449860 /nfs/dbraw/zinc/44/98/60/704449860.db2.gz GKFBABVSVRAVAT-MOPGFXCFSA-N 2 1 329.488 1.973 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC=C)CC1 ZINC001004456419 704449862 /nfs/dbraw/zinc/44/98/62/704449862.db2.gz GKFBABVSVRAVAT-MOPGFXCFSA-N 2 1 329.488 1.973 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC=C)CC1 ZINC001004456419 704449863 /nfs/dbraw/zinc/44/98/63/704449863.db2.gz GKFBABVSVRAVAT-MOPGFXCFSA-N 2 1 329.488 1.973 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC=C)CC1 ZINC001004456419 704449864 /nfs/dbraw/zinc/44/98/64/704449864.db2.gz GKFBABVSVRAVAT-MOPGFXCFSA-N 2 1 329.488 1.973 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C/C=C/Cl)C[C@H]2C)CC1 ZINC000945181551 705215118 /nfs/dbraw/zinc/21/51/18/705215118.db2.gz ODCKUQMTGBMHRS-WCWGKUCCSA-N 2 1 337.895 1.911 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](C[C@H](C)O)CC2)CC1 ZINC000998201499 705512764 /nfs/dbraw/zinc/51/27/64/705512764.db2.gz ZCGZZSYFHDVACH-HKUYNNGSSA-N 2 1 349.519 1.415 20 30 EDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001040538866 708563412 /nfs/dbraw/zinc/56/34/12/708563412.db2.gz LZBWUXVAXCWJAF-HKUYNNGSSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001040538866 708563415 /nfs/dbraw/zinc/56/34/15/708563415.db2.gz LZBWUXVAXCWJAF-HKUYNNGSSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040538866 708563419 /nfs/dbraw/zinc/56/34/19/708563419.db2.gz LZBWUXVAXCWJAF-HKUYNNGSSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040538866 708563423 /nfs/dbraw/zinc/56/34/23/708563423.db2.gz LZBWUXVAXCWJAF-HKUYNNGSSA-N 2 1 333.476 1.045 20 30 EDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034239751 709622613 /nfs/dbraw/zinc/62/26/13/709622613.db2.gz DNPULUAJOVFBFR-IEBWSBKVSA-N 2 1 347.503 1.624 20 30 EDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034239751 709622615 /nfs/dbraw/zinc/62/26/15/709622615.db2.gz DNPULUAJOVFBFR-IEBWSBKVSA-N 2 1 347.503 1.624 20 30 EDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034239751 709622617 /nfs/dbraw/zinc/62/26/17/709622617.db2.gz DNPULUAJOVFBFR-IEBWSBKVSA-N 2 1 347.503 1.624 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1 ZINC001034663803 710333082 /nfs/dbraw/zinc/33/30/82/710333082.db2.gz KPXFHBZDQNMTGQ-TVFCKZIOSA-N 2 1 333.476 1.138 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1 ZINC001034663803 710333085 /nfs/dbraw/zinc/33/30/85/710333085.db2.gz KPXFHBZDQNMTGQ-TVFCKZIOSA-N 2 1 333.476 1.138 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004483963 711875650 /nfs/dbraw/zinc/87/56/50/711875650.db2.gz WKONXBXYKNIMPU-GOSISDBHSA-N 2 1 329.488 1.951 20 30 EDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033144057 711972831 /nfs/dbraw/zinc/97/28/31/711972831.db2.gz QIWLTSGDKVITQE-ROUUACIJSA-N 2 1 335.492 1.739 20 30 EDEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033144057 711972833 /nfs/dbraw/zinc/97/28/33/711972833.db2.gz QIWLTSGDKVITQE-ROUUACIJSA-N 2 1 335.492 1.739 20 30 EDEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033144057 711972834 /nfs/dbraw/zinc/97/28/34/711972834.db2.gz QIWLTSGDKVITQE-ROUUACIJSA-N 2 1 335.492 1.739 20 30 EDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NCC[N@@H+](CC)CCO)C(C)C ZINC000274691390 201270590 /nfs/dbraw/zinc/27/05/90/201270590.db2.gz VCVTVALKGHGWDJ-QGZVFWFLSA-N 2 1 340.512 1.298 20 30 EDEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H](C)C(=O)N(C)CCC#N ZINC000344134384 250015251 /nfs/dbraw/zinc/01/52/51/250015251.db2.gz RIJFZVTXUKZPEP-QGZVFWFLSA-N 2 1 337.512 1.096 20 30 EDEDMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1 ZINC000424190043 252158497 /nfs/dbraw/zinc/15/84/97/252158497.db2.gz LNNBESGCYSPUOS-SFHVURJKSA-N 2 1 344.459 1.751 20 30 EDEDMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1 ZINC000424190043 252158500 /nfs/dbraw/zinc/15/85/00/252158500.db2.gz LNNBESGCYSPUOS-SFHVURJKSA-N 2 1 344.459 1.751 20 30 EDEDMP C[N@@H+]1CC[C@](O)(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000358251546 151317906 /nfs/dbraw/zinc/31/79/06/151317906.db2.gz MKGMYDYCXOKUJO-IBGZPJMESA-N 2 1 328.460 1.179 20 30 EDEDMP C[N@H+]1CC[C@](O)(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000358251546 151317909 /nfs/dbraw/zinc/31/79/09/151317909.db2.gz MKGMYDYCXOKUJO-IBGZPJMESA-N 2 1 328.460 1.179 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000104153983 441190424 /nfs/dbraw/zinc/19/04/24/441190424.db2.gz WDRJOIAKQKNBEG-CQSZACIVSA-N 2 1 339.484 1.338 20 30 EDEDMP C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)CN1CC[NH+](C)CC1 ZINC000083032492 441348605 /nfs/dbraw/zinc/34/86/05/441348605.db2.gz MGQMURQSWQMSEI-NVXWUHKLSA-N 2 1 345.491 1.298 20 30 EDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000107370525 441413660 /nfs/dbraw/zinc/41/36/60/441413660.db2.gz YCBDZELDWJEHBX-GOSISDBHSA-N 2 1 328.460 1.649 20 30 EDEDMP COCc1ccccc1NC(=[NH2+])NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090064875 441618011 /nfs/dbraw/zinc/61/80/11/441618011.db2.gz GDCXTOCEWXKWKG-HZPDHXFCSA-N 2 1 332.448 1.813 20 30 EDEDMP COCc1ccccc1NC(=[NH2+])NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090064875 441618013 /nfs/dbraw/zinc/61/80/13/441618013.db2.gz GDCXTOCEWXKWKG-HZPDHXFCSA-N 2 1 332.448 1.813 20 30 EDEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174720439 441959609 /nfs/dbraw/zinc/95/96/09/441959609.db2.gz SWWFZRAAWGBLHP-UHFFFAOYSA-N 2 1 346.475 1.515 20 30 EDEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(OC)c1 ZINC000193650725 442764123 /nfs/dbraw/zinc/76/41/23/442764123.db2.gz IUKJUMWHLFDQKG-KSZLIROESA-N 2 1 346.471 1.657 20 30 EDEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(OC)c1 ZINC000193650725 442764124 /nfs/dbraw/zinc/76/41/24/442764124.db2.gz IUKJUMWHLFDQKG-KSZLIROESA-N 2 1 346.471 1.657 20 30 EDEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(OC)c1 ZINC000193650725 442764125 /nfs/dbraw/zinc/76/41/25/442764125.db2.gz IUKJUMWHLFDQKG-KSZLIROESA-N 2 1 346.471 1.657 20 30 EDEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(OC)c1 ZINC000193650725 442764126 /nfs/dbraw/zinc/76/41/26/442764126.db2.gz IUKJUMWHLFDQKG-KSZLIROESA-N 2 1 346.471 1.657 20 30 EDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183683784 442952854 /nfs/dbraw/zinc/95/28/54/442952854.db2.gz VWBJNUBXUAYICH-CYBMUJFWSA-N 2 1 341.415 1.843 20 30 EDEDMP C[NH+]=C(NCCn1cnc2ccccc21)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262025572 443180615 /nfs/dbraw/zinc/18/06/15/443180615.db2.gz ZQVYMJVUFNXRCB-PBHICJAKSA-N 2 1 340.475 1.684 20 30 EDEDMP N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2=O)cc1 ZINC000190626671 443152258 /nfs/dbraw/zinc/15/22/58/443152258.db2.gz PZBLPEPYUGFRKZ-IPMKNSEASA-N 2 1 338.455 1.876 20 30 EDEDMP N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2=O)cc1 ZINC000190626671 443152261 /nfs/dbraw/zinc/15/22/61/443152261.db2.gz PZBLPEPYUGFRKZ-IPMKNSEASA-N 2 1 338.455 1.876 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccccc2)c[nH]1 ZINC000264126040 443250829 /nfs/dbraw/zinc/25/08/29/443250829.db2.gz WPHKNQDLLVSSOE-OAHLLOKOSA-N 2 1 326.448 1.965 20 30 EDEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNCc1ccc(C#N)cc1F ZINC000269409973 443305990 /nfs/dbraw/zinc/30/59/90/443305990.db2.gz IWIQRGGGEFLNOA-QGZVFWFLSA-N 2 1 332.423 1.730 20 30 EDEDMP CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000269409973 443305993 /nfs/dbraw/zinc/30/59/93/443305993.db2.gz IWIQRGGGEFLNOA-QGZVFWFLSA-N 2 1 332.423 1.730 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(-n2cncn2)c1 ZINC000267431694 443454783 /nfs/dbraw/zinc/45/47/83/443454783.db2.gz MSPQMVVTBRRAPG-MRXNPFEDSA-N 2 1 327.436 1.156 20 30 EDEDMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000265219771 443574432 /nfs/dbraw/zinc/57/44/32/443574432.db2.gz OFBFMOMAQLENEB-UHFFFAOYSA-N 2 1 344.459 1.665 20 30 EDEDMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000265219771 443574434 /nfs/dbraw/zinc/57/44/34/443574434.db2.gz OFBFMOMAQLENEB-UHFFFAOYSA-N 2 1 344.459 1.665 20 30 EDEDMP C[N@H+]1CCN(CCNC(=[NH2+])Nc2cc(F)ccc2F)CC1(C)C ZINC000288746695 443971659 /nfs/dbraw/zinc/97/16/59/443971659.db2.gz QAIGLTAMGAQJCX-UHFFFAOYSA-N 2 1 325.407 1.717 20 30 EDEDMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC#CC[NH+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000342153844 444537697 /nfs/dbraw/zinc/53/76/97/444537697.db2.gz CJUHZASVLZBAOR-XETNVZRVSA-N 2 1 336.520 1.952 20 30 EDEDMP C[C@@H](O)[C@@H]1C[C@H](C)CC[NH+]1CC#CC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000342153844 444537702 /nfs/dbraw/zinc/53/77/02/444537702.db2.gz CJUHZASVLZBAOR-XETNVZRVSA-N 2 1 336.520 1.952 20 30 EDEDMP C[C@@H](O)[C@@H]1C[C@H](C)CC[NH+]1CC#CC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000342153844 444537708 /nfs/dbraw/zinc/53/77/08/444537708.db2.gz CJUHZASVLZBAOR-XETNVZRVSA-N 2 1 336.520 1.952 20 30 EDEDMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)c1 ZINC000330137071 444858371 /nfs/dbraw/zinc/85/83/71/444858371.db2.gz NOVWXWCNVFYIBM-NVXWUHKLSA-N 2 1 343.475 1.909 20 30 EDEDMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)c1 ZINC000330137071 444858374 /nfs/dbraw/zinc/85/83/74/444858374.db2.gz NOVWXWCNVFYIBM-NVXWUHKLSA-N 2 1 343.475 1.909 20 30 EDEDMP CC[NH+]1C[C@H](C)N(CC#CCN2C[C@H](C)[N@@H+](CC)C[C@H]2C)C[C@H]1C ZINC000341911782 445067624 /nfs/dbraw/zinc/06/76/24/445067624.db2.gz VDMOCVPVNXRYBU-JVSBHGNQSA-N 2 1 334.552 1.819 20 30 EDEDMP CC[NH+]1C[C@@H](C)N(CC#CCN2C[C@@H](C)[N@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000341911782 445067627 /nfs/dbraw/zinc/06/76/27/445067627.db2.gz VDMOCVPVNXRYBU-JVSBHGNQSA-N 2 1 334.552 1.819 20 30 EDEDMP CC[NH+]1C[C@@H](C)N(CC#CCN2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000341911782 445067628 /nfs/dbraw/zinc/06/76/28/445067628.db2.gz VDMOCVPVNXRYBU-JVSBHGNQSA-N 2 1 334.552 1.819 20 30 EDEDMP C#CCN(C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000365958533 445927576 /nfs/dbraw/zinc/92/75/76/445927576.db2.gz BYJQAHKCFXFOHK-MRXNPFEDSA-N 2 1 332.492 1.742 20 30 EDEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371342895 446790727 /nfs/dbraw/zinc/79/07/27/446790727.db2.gz CSHIXWJFWAKTTO-UHFFFAOYSA-N 2 1 349.523 1.239 20 30 EDEDMP OCC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421020002 446990462 /nfs/dbraw/zinc/99/04/62/446990462.db2.gz QPZULBPHBCVMSO-BGYRXZFFSA-N 2 1 336.520 1.959 20 30 EDEDMP OCC[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](CCO)CC2)CC1 ZINC000421020002 446990464 /nfs/dbraw/zinc/99/04/64/446990464.db2.gz QPZULBPHBCVMSO-BGYRXZFFSA-N 2 1 336.520 1.959 20 30 EDEDMP OCC[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](CCO)CC2)CC1 ZINC000421020002 446990469 /nfs/dbraw/zinc/99/04/69/446990469.db2.gz QPZULBPHBCVMSO-BGYRXZFFSA-N 2 1 336.520 1.959 20 30 EDEDMP CC(C)[NH+]1CC[C@H](N(C)CC#CCN(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000452111988 447816868 /nfs/dbraw/zinc/81/68/68/447816868.db2.gz DNVOXNCYJIARTR-PMACEKPBSA-N 2 1 334.552 1.819 20 30 EDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)C2)CC1 ZINC000527297254 448204396 /nfs/dbraw/zinc/20/43/96/448204396.db2.gz SGMPQSUSXIDWCC-IRXDYDNUSA-N 2 1 347.507 1.038 20 30 EDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCC3)C2)CC1 ZINC000527297254 448204400 /nfs/dbraw/zinc/20/44/00/448204400.db2.gz SGMPQSUSXIDWCC-IRXDYDNUSA-N 2 1 347.507 1.038 20 30 EDEDMP C[NH+]1CCN(c2ncc(C[NH+]3CCC(CCC#N)CC3)cn2)CC1 ZINC000563158219 448289244 /nfs/dbraw/zinc/28/92/44/448289244.db2.gz NYSKRRHYQUGXMY-UHFFFAOYSA-N 2 1 328.464 1.744 20 30 EDEDMP C=CC[N@H+](CCN1CC[NH2+]CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000567896527 448781086 /nfs/dbraw/zinc/78/10/86/448781086.db2.gz YJNJPPFBOUOJHY-MRXNPFEDSA-N 2 1 341.463 1.117 20 30 EDEDMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000580048782 448938248 /nfs/dbraw/zinc/93/82/48/448938248.db2.gz OBTINRVBCNQNFU-FQEVSTJZSA-N 2 1 344.503 1.755 20 30 EDEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000595890187 449234905 /nfs/dbraw/zinc/23/49/05/449234905.db2.gz ZGYVBOLADMBMJL-RBUKOAKNSA-N 2 1 340.471 1.681 20 30 EDEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000594256210 449413368 /nfs/dbraw/zinc/41/33/68/449413368.db2.gz WWMBTXHAKHQNBX-UHFFFAOYSA-N 2 1 328.460 1.790 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000599087810 449725151 /nfs/dbraw/zinc/72/51/51/449725151.db2.gz LWHQKBGOPIFKCZ-UHFFFAOYSA-N 2 1 325.416 1.654 20 30 EDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000610511809 450249208 /nfs/dbraw/zinc/24/92/08/450249208.db2.gz HTYSQZPKYCOXEG-KBAYOESNSA-N 2 1 331.460 1.907 20 30 EDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000610511809 450249211 /nfs/dbraw/zinc/24/92/11/450249211.db2.gz HTYSQZPKYCOXEG-KBAYOESNSA-N 2 1 331.460 1.907 20 30 EDEDMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC[NH+]1C ZINC000610511809 450249214 /nfs/dbraw/zinc/24/92/14/450249214.db2.gz HTYSQZPKYCOXEG-KBAYOESNSA-N 2 1 331.460 1.907 20 30 EDEDMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)CC[NH+]1C ZINC000610511809 450249217 /nfs/dbraw/zinc/24/92/17/450249217.db2.gz HTYSQZPKYCOXEG-KBAYOESNSA-N 2 1 331.460 1.907 20 30 EDEDMP CC#CC[C@@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000655160677 453277331 /nfs/dbraw/zinc/27/73/31/453277331.db2.gz LTUOPEBIXDJWJD-KRWDZBQOSA-N 2 1 335.492 1.073 20 30 EDEDMP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664805505 453415516 /nfs/dbraw/zinc/41/55/16/453415516.db2.gz FPVVAGCQLMAGJE-ULQDDVLXSA-N 2 1 340.512 1.539 20 30 EDEDMP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664805505 453415526 /nfs/dbraw/zinc/41/55/26/453415526.db2.gz FPVVAGCQLMAGJE-ULQDDVLXSA-N 2 1 340.512 1.539 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(N(C)C)Cc2ccccc2C1 ZINC000267387323 535550054 /nfs/dbraw/zinc/55/00/54/535550054.db2.gz BYPZDESYXHUXNH-GOSISDBHSA-N 2 1 343.519 1.474 20 30 EDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000267387323 535550061 /nfs/dbraw/zinc/55/00/61/535550061.db2.gz BYPZDESYXHUXNH-GOSISDBHSA-N 3 1 343.519 1.474 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000267387323 535550064 /nfs/dbraw/zinc/55/00/64/535550064.db2.gz BYPZDESYXHUXNH-GOSISDBHSA-N 3 1 343.519 1.474 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H](C)c2cccnc2)CC1 ZINC000734144693 578798760 /nfs/dbraw/zinc/79/87/60/578798760.db2.gz WMBBUJNNDBBTMG-AEFFLSMTSA-N 2 1 326.444 1.384 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@H](C)c2cccnc2)CC1 ZINC000734144693 578798761 /nfs/dbraw/zinc/79/87/61/578798761.db2.gz WMBBUJNNDBBTMG-AEFFLSMTSA-N 2 1 326.444 1.384 20 30 EDEDMP CSCCC[NH+]=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC(C)(C)C ZINC000912508452 593101285 /nfs/dbraw/zinc/10/12/85/593101285.db2.gz NXFOPBIBSWDFIF-LSDHHAIUSA-N 2 1 342.553 1.936 20 30 EDEDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000818997896 593733052 /nfs/dbraw/zinc/73/30/52/593733052.db2.gz NNOUEOXDEJKDKP-QZTJIDSGSA-N 2 1 344.459 1.124 20 30 EDEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000818997896 593733053 /nfs/dbraw/zinc/73/30/53/593733053.db2.gz NNOUEOXDEJKDKP-QZTJIDSGSA-N 2 1 344.459 1.124 20 30 EDEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCO[C@@H](C)C#N)C2)ccn1 ZINC000856584494 596023025 /nfs/dbraw/zinc/02/30/25/596023025.db2.gz KYWMKXZLUCWXCC-YJBOKZPZSA-N 2 1 332.448 1.915 20 30 EDEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCO[C@@H](C)C#N)C2)ccn1 ZINC000856584494 596023027 /nfs/dbraw/zinc/02/30/27/596023027.db2.gz KYWMKXZLUCWXCC-YJBOKZPZSA-N 2 1 332.448 1.915 20 30 EDEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCO[C@@H](C)C#N)C2)ccn1 ZINC000856584494 596023029 /nfs/dbraw/zinc/02/30/29/596023029.db2.gz KYWMKXZLUCWXCC-YJBOKZPZSA-N 2 1 332.448 1.915 20 30 EDEDMP C#C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000872215648 596838887 /nfs/dbraw/zinc/83/88/87/596838887.db2.gz DPSPBQFQRHLFPQ-WOJBJXKFSA-N 2 1 328.456 1.641 20 30 EDEDMP C#C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000872215648 596838888 /nfs/dbraw/zinc/83/88/88/596838888.db2.gz DPSPBQFQRHLFPQ-WOJBJXKFSA-N 2 1 328.456 1.641 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000877121130 597437712 /nfs/dbraw/zinc/43/77/12/597437712.db2.gz ZEUMRPQBUOTTLZ-IBGZPJMESA-N 2 1 325.456 1.628 20 30 EDEDMP COCC[N@H+](Cc1cnc2c(C#N)cnn2c1)CC1CC[NH+](C)CC1 ZINC000877665349 597546059 /nfs/dbraw/zinc/54/60/59/597546059.db2.gz RWTTUAXDCBBXAN-UHFFFAOYSA-N 2 1 342.447 1.391 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C)on3)C2)CC1 ZINC000939811332 699959357 /nfs/dbraw/zinc/95/93/57/699959357.db2.gz RZESLQKJMXTICE-RDTXWAMCSA-N 2 1 344.459 1.265 20 30 EDEDMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031977791 702037044 /nfs/dbraw/zinc/03/70/44/702037044.db2.gz IKQWQUJOIBHEQY-QFBILLFUSA-N 2 1 325.456 1.284 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001031977791 702037049 /nfs/dbraw/zinc/03/70/49/702037049.db2.gz IKQWQUJOIBHEQY-QFBILLFUSA-N 2 1 325.456 1.284 20 30 EDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000999206062 706658977 /nfs/dbraw/zinc/65/89/77/706658977.db2.gz FBAHTHDFELWSCZ-PBHICJAKSA-N 2 1 331.464 1.947 20 30 EDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000999206062 706658978 /nfs/dbraw/zinc/65/89/78/706658978.db2.gz FBAHTHDFELWSCZ-PBHICJAKSA-N 2 1 331.464 1.947 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(F)c(C#N)c3)CC2)C1 ZINC000997300455 703544019 /nfs/dbraw/zinc/54/40/19/703544019.db2.gz VGTPKXNSNNSRDD-HNNXBMFYSA-N 2 1 344.434 1.730 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001033094861 704179155 /nfs/dbraw/zinc/17/91/55/704179155.db2.gz KLOMXTAQVDHTMB-YZGWKJHDSA-N 2 1 339.483 1.911 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001033094861 704179158 /nfs/dbraw/zinc/17/91/58/704179158.db2.gz KLOMXTAQVDHTMB-YZGWKJHDSA-N 2 1 339.483 1.911 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001033094861 704179159 /nfs/dbraw/zinc/17/91/59/704179159.db2.gz KLOMXTAQVDHTMB-YZGWKJHDSA-N 2 1 339.483 1.911 20 30 EDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)CC[NH+]1C ZINC001033094861 704179162 /nfs/dbraw/zinc/17/91/62/704179162.db2.gz KLOMXTAQVDHTMB-YZGWKJHDSA-N 2 1 339.483 1.911 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](CCO)CC2)CC1 ZINC000998193597 705497872 /nfs/dbraw/zinc/49/78/72/705497872.db2.gz BKFHIHFRJXJQKI-SFHVURJKSA-N 2 1 335.492 1.027 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC001002121970 708635958 /nfs/dbraw/zinc/63/59/58/708635958.db2.gz WZSIFRHHOMIFIV-IBGZPJMESA-N 2 1 340.471 1.838 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033838111 708867973 /nfs/dbraw/zinc/86/79/73/708867973.db2.gz PHDRJQOIGKOOEA-INIZCTEOSA-N 2 1 331.464 1.004 20 30 EDEDMP C=CCCn1cc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000922391855 711456677 /nfs/dbraw/zinc/45/66/77/711456677.db2.gz BGAROOCCISIPFX-AKHDSKFASA-N 2 1 347.507 1.814 20 30 EDEDMP C=CCCn1cc(C[NH2+][C@@H]2C[C@]3(C[N@H+](CC)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000922391855 711456678 /nfs/dbraw/zinc/45/66/78/711456678.db2.gz BGAROOCCISIPFX-AKHDSKFASA-N 2 1 347.507 1.814 20 30 EDEDMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000329293456 539426767 /nfs/dbraw/zinc/42/67/67/539426767.db2.gz JGNXJULEWFDFFP-QGZVFWFLSA-N 2 1 343.475 1.786 20 30 EDEDMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000330235107 539517468 /nfs/dbraw/zinc/51/74/68/539517468.db2.gz GTTLVXGUSRQHRQ-OAHLLOKOSA-N 2 1 337.512 1.000 20 30 EDEDMP COc1ccc(NC(=[NH2+])NCC[NH+]2CCC(O)CC2)cc1Cl ZINC000263043752 249326535 /nfs/dbraw/zinc/32/65/35/249326535.db2.gz CRUOTVFPQGYMNC-UHFFFAOYSA-N 2 1 326.828 1.532 20 30 EDEDMP C[C@@H](O)C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000122411730 441848220 /nfs/dbraw/zinc/84/82/20/441848220.db2.gz PVECXRSLISGTFB-SJLPKXTDSA-N 2 1 348.491 1.168 20 30 EDEDMP CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)C12CCOCC2 ZINC000248629318 442910529 /nfs/dbraw/zinc/91/05/29/442910529.db2.gz GGYXIJVCZGPNGK-ARFHVFGLSA-N 2 1 338.496 1.349 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(C(F)F)cc1 ZINC000184879922 443091042 /nfs/dbraw/zinc/09/10/42/443091042.db2.gz UGBMTMQRELCJMT-UHFFFAOYSA-N 2 1 326.391 1.751 20 30 EDEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CC[C@@H](COC)C1 ZINC000262472943 443196159 /nfs/dbraw/zinc/19/61/59/443196159.db2.gz PIRNONYVRCQELR-MRXNPFEDSA-N 2 1 342.447 1.619 20 30 EDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000289436453 444143561 /nfs/dbraw/zinc/14/35/61/444143561.db2.gz WDHQXKDDGVFMDJ-GJZGRUSLSA-N 2 1 345.447 1.361 20 30 EDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000289436453 444143563 /nfs/dbraw/zinc/14/35/63/444143563.db2.gz WDHQXKDDGVFMDJ-GJZGRUSLSA-N 2 1 345.447 1.361 20 30 EDEDMP CCCNC(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303894378 444237622 /nfs/dbraw/zinc/23/76/22/444237622.db2.gz SPHAPLZTOVWXOE-UHFFFAOYSA-N 2 1 327.473 1.244 20 30 EDEDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000340832988 444533239 /nfs/dbraw/zinc/53/32/39/444533239.db2.gz LDFVNZVZKVNJMB-UHFFFAOYSA-N 2 1 332.423 1.587 20 30 EDEDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)C2 ZINC000365083742 446012777 /nfs/dbraw/zinc/01/27/77/446012777.db2.gz XAPBVOFHKYTZMU-HUUCEWRRSA-N 2 1 329.448 1.827 20 30 EDEDMP N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000600741605 449528338 /nfs/dbraw/zinc/52/83/38/449528338.db2.gz FSGDPCFJDNVJGQ-OALUTQOASA-N 2 1 343.471 1.788 20 30 EDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594438534 449518676 /nfs/dbraw/zinc/51/86/76/449518676.db2.gz JXJSELHWEQLDPU-CQSZACIVSA-N 3 1 330.436 1.183 20 30 EDEDMP C[N@@H+](C[C@@H](O)CN1CCC(Nc2ccccc2C#N)CC1)C1CC1 ZINC000602902991 449908932 /nfs/dbraw/zinc/90/89/32/449908932.db2.gz YMTKFMCEBPDWJC-GOSISDBHSA-N 2 1 328.460 1.890 20 30 EDEDMP CN(C[C@@H](O)C[NH+]1CCC(Nc2ccccc2C#N)CC1)C1CC1 ZINC000602902991 449908941 /nfs/dbraw/zinc/90/89/41/449908941.db2.gz YMTKFMCEBPDWJC-GOSISDBHSA-N 2 1 328.460 1.890 20 30 EDEDMP C[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C)[C@H]2CCO)[C@H]1CCO ZINC000661498482 452300527 /nfs/dbraw/zinc/30/05/27/452300527.db2.gz LTPLETAPXVGUBF-JVSBHGNQSA-N 2 1 336.520 1.956 20 30 EDEDMP C[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](C)[C@H]2CCO)[C@H]1CCO ZINC000661498482 452300538 /nfs/dbraw/zinc/30/05/38/452300538.db2.gz LTPLETAPXVGUBF-JVSBHGNQSA-N 2 1 336.520 1.956 20 30 EDEDMP C[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](C)[C@H]2CCO)[C@H]1CCO ZINC000661498482 452300549 /nfs/dbraw/zinc/30/05/49/452300549.db2.gz LTPLETAPXVGUBF-JVSBHGNQSA-N 2 1 336.520 1.956 20 30 EDEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177491521 527026212 /nfs/dbraw/zinc/02/62/12/527026212.db2.gz RLACXVIPQAMMSV-BBWFWOEESA-N 2 1 335.492 1.336 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCC[NH+](C)C)cc1 ZINC000264077653 535549079 /nfs/dbraw/zinc/54/90/79/535549079.db2.gz HQIJQJCCZJVFLG-QGZVFWFLSA-N 3 1 347.507 1.516 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000892582700 591080864 /nfs/dbraw/zinc/08/08/64/591080864.db2.gz HNVRCSSFLOOYCI-IYARVYRRSA-N 2 1 341.459 1.513 20 30 EDEDMP C[NH+]1CC[C@H]1CNc1cc(NC[C@H]2CC[N@@H+]2C)cc(C#N)c1[N+](=O)[O-] ZINC000895771655 591270352 /nfs/dbraw/zinc/27/03/52/591270352.db2.gz OFQNPPYSQBICGR-CABCVRRESA-N 2 1 344.419 1.698 20 30 EDEDMP C[NH+]1CC[C@@H]1CNc1cc(C#N)c([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C)c1 ZINC000895771655 591270354 /nfs/dbraw/zinc/27/03/54/591270354.db2.gz OFQNPPYSQBICGR-CABCVRRESA-N 2 1 344.419 1.698 20 30 EDEDMP C[NH+]1CC[C@@H]1CNc1cc(C#N)c([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2C)c1 ZINC000895771655 591270357 /nfs/dbraw/zinc/27/03/57/591270357.db2.gz OFQNPPYSQBICGR-CABCVRRESA-N 2 1 344.419 1.698 20 30 EDEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000903476058 592176084 /nfs/dbraw/zinc/17/60/84/592176084.db2.gz MHMBVAAOQLMQKH-JQHSSLGASA-N 2 1 340.427 1.542 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000846444743 595234247 /nfs/dbraw/zinc/23/42/47/595234247.db2.gz WLSGQSUNJHMTQH-RBUKOAKNSA-N 2 1 343.471 1.606 20 30 EDEDMP Cc1cccc(C[NH+]2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)c1 ZINC000852854959 595577373 /nfs/dbraw/zinc/57/73/73/595577373.db2.gz CMRYUHDTUWPWTR-UHFFFAOYSA-N 2 1 325.456 1.642 20 30 EDEDMP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000852870100 595589297 /nfs/dbraw/zinc/58/92/97/595589297.db2.gz PPECGHJNBMUTAD-MRXNPFEDSA-N 2 1 333.476 1.139 20 30 EDEDMP N#Cc1ccc(OCCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852708697 596231285 /nfs/dbraw/zinc/23/12/85/596231285.db2.gz HEFRGUCFHPVQQC-GOSISDBHSA-N 2 1 329.444 1.858 20 30 EDEDMP N#Cc1ccc(OCCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000852708697 596231288 /nfs/dbraw/zinc/23/12/88/596231288.db2.gz HEFRGUCFHPVQQC-GOSISDBHSA-N 2 1 329.444 1.858 20 30 EDEDMP C[N@H+](C[C@H](O)C[NH2+]C1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000872222275 596841976 /nfs/dbraw/zinc/84/19/76/596841976.db2.gz RKHJOAHAVQCYFL-GOSISDBHSA-N 2 1 328.460 1.572 20 30 EDEDMP C[N@@H+](C[C@H](O)C[NH2+]C1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000872222275 596841980 /nfs/dbraw/zinc/84/19/80/596841980.db2.gz RKHJOAHAVQCYFL-GOSISDBHSA-N 2 1 328.460 1.572 20 30 EDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000877055304 597423491 /nfs/dbraw/zinc/42/34/91/597423491.db2.gz RPZRRXQUFNISEG-LJQANCHMSA-N 2 1 348.406 1.866 20 30 EDEDMP C[C@H](CCO)[NH+](C)Cc1cc(C#N)cc(C[N@H+](C)[C@H](C)CCO)c1 ZINC000878812581 597721484 /nfs/dbraw/zinc/72/14/84/597721484.db2.gz QTFZVSDTGPGCIF-HZPDHXFCSA-N 2 1 333.476 1.964 20 30 EDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727633 697966616 /nfs/dbraw/zinc/96/66/16/697966616.db2.gz NJIOAEHKFQHCMG-GOSISDBHSA-N 2 1 335.492 1.644 20 30 EDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)C1 ZINC000941636434 701601924 /nfs/dbraw/zinc/60/19/24/701601924.db2.gz LVBXRZQATCMKQN-SJORKVTESA-N 2 1 334.508 1.121 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000939753726 699903523 /nfs/dbraw/zinc/90/35/23/699903523.db2.gz HYVWXFPRMDGVOY-KDOFPFPSSA-N 2 1 337.427 1.700 20 30 EDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000941677765 701616071 /nfs/dbraw/zinc/61/60/71/701616071.db2.gz VPXUHHXAJOZUKW-UHFFFAOYSA-N 2 1 334.508 1.267 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3coc(C)n3)C2)CC1 ZINC000939808778 699957432 /nfs/dbraw/zinc/95/74/32/699957432.db2.gz GSHCGJOXWSZULH-RDTXWAMCSA-N 2 1 344.459 1.265 20 30 EDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032484 701074416 /nfs/dbraw/zinc/07/44/16/701074416.db2.gz HVTLNSMWJXKTAR-RDJZCZTQSA-N 2 1 328.460 1.604 20 30 EDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941032484 701074419 /nfs/dbraw/zinc/07/44/19/701074419.db2.gz HVTLNSMWJXKTAR-RDJZCZTQSA-N 2 1 328.460 1.604 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)Cn1ccnc1 ZINC000945806322 701195972 /nfs/dbraw/zinc/19/59/72/701195972.db2.gz CORARGJWUYJLJW-CRAIPNDOSA-N 2 1 337.427 1.782 20 30 EDEDMP C[C@@H]1CN(Cc2ccccc2C#N)CC[C@H]1NC(=O)Cn1ccnc1 ZINC000945806322 701195975 /nfs/dbraw/zinc/19/59/75/701195975.db2.gz CORARGJWUYJLJW-CRAIPNDOSA-N 2 1 337.427 1.782 20 30 EDEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC000941411073 701527245 /nfs/dbraw/zinc/52/72/45/701527245.db2.gz UPBXHAKVPKRPHB-UHFFFAOYSA-N 2 1 346.519 1.103 20 30 EDEDMP C=CCC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941442903 701542629 /nfs/dbraw/zinc/54/26/29/701542629.db2.gz HCZUZMMRRQPIKZ-QGZVFWFLSA-N 2 1 334.508 1.265 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942058076 702507656 /nfs/dbraw/zinc/50/76/56/702507656.db2.gz SPTPZEKBQPVQAV-SJORKVTESA-N 2 1 347.507 1.851 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1(C)C ZINC000996335612 702718313 /nfs/dbraw/zinc/71/83/13/702718313.db2.gz ZHYPISCQVAUQHN-QYZOEREBSA-N 2 1 339.483 1.792 20 30 EDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942722818 703237529 /nfs/dbraw/zinc/23/75/29/703237529.db2.gz OOOUXSXOUXDTQR-NVXWUHKLSA-N 2 1 344.459 1.734 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](C)C1 ZINC000942722818 703237531 /nfs/dbraw/zinc/23/75/31/703237531.db2.gz OOOUXSXOUXDTQR-NVXWUHKLSA-N 2 1 344.459 1.734 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC000995551002 703955358 /nfs/dbraw/zinc/95/53/58/703955358.db2.gz LLAULSZCKVPWRQ-QZTJIDSGSA-N 2 1 340.471 1.979 20 30 EDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597704 704292875 /nfs/dbraw/zinc/29/28/75/704292875.db2.gz HDZICFQSQMLJPP-HCXYKTFWSA-N 2 1 345.487 1.043 20 30 EDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597704 704292878 /nfs/dbraw/zinc/29/28/78/704292878.db2.gz HDZICFQSQMLJPP-HCXYKTFWSA-N 2 1 345.487 1.043 20 30 EDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597704 704292882 /nfs/dbraw/zinc/29/28/82/704292882.db2.gz HDZICFQSQMLJPP-HCXYKTFWSA-N 2 1 345.487 1.043 20 30 EDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597963 704309324 /nfs/dbraw/zinc/30/93/24/704309324.db2.gz SCUQFUNPLFROKZ-HCXYKTFWSA-N 2 1 345.487 1.043 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004436080 704410569 /nfs/dbraw/zinc/41/05/69/704410569.db2.gz DDFWZZYHHGKVNA-RTBURBONSA-N 2 1 329.488 1.664 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C(F)(F)F ZINC000998298612 705702395 /nfs/dbraw/zinc/70/23/95/705702395.db2.gz YNSVJHQOQOGTPX-KBPBESRZSA-N 2 1 345.409 1.721 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C(F)(F)F ZINC000998298612 705702397 /nfs/dbraw/zinc/70/23/97/705702397.db2.gz YNSVJHQOQOGTPX-KBPBESRZSA-N 2 1 345.409 1.721 20 30 EDEDMP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC000998548939 705984611 /nfs/dbraw/zinc/98/46/11/705984611.db2.gz JBRKCNQDXOGBAU-ABHNRTSZSA-N 2 1 344.434 1.871 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)o2)C1 ZINC000998927187 706355175 /nfs/dbraw/zinc/35/51/75/706355175.db2.gz CPPONEOXAUDVQV-DQPZFDDXSA-N 2 1 330.432 1.160 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)o2)C1 ZINC000998927187 706355178 /nfs/dbraw/zinc/35/51/78/706355178.db2.gz CPPONEOXAUDVQV-DQPZFDDXSA-N 2 1 330.432 1.160 20 30 EDEDMP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999832183 707462708 /nfs/dbraw/zinc/46/27/08/707462708.db2.gz PXEWQJRWVFMFQC-PNESKVBLSA-N 2 1 330.270 1.426 20 30 EDEDMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001033420387 707831068 /nfs/dbraw/zinc/83/10/68/707831068.db2.gz OSKWVUBYUTXVGS-VQIMIIECSA-N 2 1 340.471 1.933 20 30 EDEDMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001033420387 707831071 /nfs/dbraw/zinc/83/10/71/707831071.db2.gz OSKWVUBYUTXVGS-VQIMIIECSA-N 2 1 340.471 1.933 20 30 EDEDMP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001033420387 707831074 /nfs/dbraw/zinc/83/10/74/707831074.db2.gz OSKWVUBYUTXVGS-VQIMIIECSA-N 2 1 340.471 1.933 20 30 EDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001034365052 709885478 /nfs/dbraw/zinc/88/54/78/709885478.db2.gz OFEYLKAYOMJIAT-IAGOWNOFSA-N 2 1 328.460 1.748 20 30 EDEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365052 709885483 /nfs/dbraw/zinc/88/54/83/709885483.db2.gz OFEYLKAYOMJIAT-IAGOWNOFSA-N 2 1 328.460 1.748 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001003631773 710460757 /nfs/dbraw/zinc/46/07/57/710460757.db2.gz VCUOWZFWEPABDR-BEFAXECRSA-N 2 1 340.471 1.837 20 30 EDEDMP N#Cc1ccc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC001003974393 711133096 /nfs/dbraw/zinc/13/30/96/711133096.db2.gz JVRZYIWEFYYKBR-UHFFFAOYSA-N 2 1 344.484 1.796 20 30 EDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001034885209 711289190 /nfs/dbraw/zinc/28/91/90/711289190.db2.gz QVIQAOWMYZOCFS-MSOLQXFVSA-N 2 1 326.444 1.733 20 30 EDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621307 711908010 /nfs/dbraw/zinc/90/80/10/711908010.db2.gz TZQSONRBSCPGAO-OTWHNJEPSA-N 2 1 331.504 1.768 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621307 711908012 /nfs/dbraw/zinc/90/80/12/711908012.db2.gz TZQSONRBSCPGAO-OTWHNJEPSA-N 2 1 331.504 1.768 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)CC[C@@H]2C1 ZINC000946621307 711908014 /nfs/dbraw/zinc/90/80/14/711908014.db2.gz TZQSONRBSCPGAO-OTWHNJEPSA-N 2 1 331.504 1.768 20 30 EDEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000424176260 252154345 /nfs/dbraw/zinc/15/43/45/252154345.db2.gz RRNLDPZIJLADKA-QZTJIDSGSA-N 2 1 344.459 1.415 20 30 EDEDMP CC[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000424132921 252135622 /nfs/dbraw/zinc/13/56/22/252135622.db2.gz LHERRYCZBKMTEZ-MSOLQXFVSA-N 2 1 328.460 1.961 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496478867 255396870 /nfs/dbraw/zinc/39/68/70/255396870.db2.gz JILWPSIRUFKOSX-KRWDZBQOSA-N 2 1 327.469 1.502 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)cn1C ZINC000081729035 287315151 /nfs/dbraw/zinc/31/51/51/287315151.db2.gz ANTDXUFLZBOFLM-MRXNPFEDSA-N 2 1 331.464 1.385 20 30 EDEDMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000330742318 279604852 /nfs/dbraw/zinc/60/48/52/279604852.db2.gz PZWZRJDWRWDVBR-KRWDZBQOSA-N 2 1 340.512 1.720 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000247921047 442873139 /nfs/dbraw/zinc/87/31/39/442873139.db2.gz BUKNZTMLSKKEEN-RTBURBONSA-N 2 1 325.456 1.893 20 30 EDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190535569 443130888 /nfs/dbraw/zinc/13/08/88/443130888.db2.gz WZZRMAJPIXLEQD-WBVHZDCISA-N 2 1 334.464 1.217 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1c(F)cccc1Cl ZINC000264107463 443248651 /nfs/dbraw/zinc/24/86/51/443248651.db2.gz ODCFTNJKULRCFD-UHFFFAOYSA-N 2 1 328.819 1.606 20 30 EDEDMP COc1ccc(CCNC(=[NH2+])NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000267205489 443377600 /nfs/dbraw/zinc/37/76/00/443377600.db2.gz RFWGSILVXIMRHE-QGZVFWFLSA-N 2 1 336.505 1.579 20 30 EDEDMP C[NH+]=C(NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)NC1CC1 ZINC000264798845 443430731 /nfs/dbraw/zinc/43/07/31/443430731.db2.gz XQHMLWGBGZBLHH-INIZCTEOSA-N 2 1 343.475 1.211 20 30 EDEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000274847458 443612468 /nfs/dbraw/zinc/61/24/68/443612468.db2.gz OCAJLCYVXDRFTN-MSOLQXFVSA-N 2 1 337.508 1.914 20 30 EDEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000274847458 443612470 /nfs/dbraw/zinc/61/24/70/443612470.db2.gz OCAJLCYVXDRFTN-MSOLQXFVSA-N 2 1 337.508 1.914 20 30 EDEDMP C#CCN(Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000289674802 444189059 /nfs/dbraw/zinc/18/90/59/444189059.db2.gz NSTRXHSVLLCLMJ-UHFFFAOYSA-N 2 1 335.455 1.864 20 30 EDEDMP COC[C@@H](C)NC(=[NH2+])NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000304743433 444252556 /nfs/dbraw/zinc/25/25/56/444252556.db2.gz DBMOJSYMONYNMA-GFCCVEGCSA-N 2 1 339.509 1.603 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000296798724 444255040 /nfs/dbraw/zinc/25/50/40/444255040.db2.gz HXPHRANTHPIYMD-UHFFFAOYSA-N 2 1 343.475 1.552 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000297589128 444304873 /nfs/dbraw/zinc/30/48/73/444304873.db2.gz FCQUVOWOOLLRMO-KRWDZBQOSA-N 2 1 334.439 1.683 20 30 EDEDMP N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000580556264 322066891 /nfs/dbraw/zinc/06/68/91/322066891.db2.gz JUJUSMYRGSPMTR-MSOLQXFVSA-N 2 1 339.443 1.278 20 30 EDEDMP N#Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000580556264 322066894 /nfs/dbraw/zinc/06/68/94/322066894.db2.gz JUJUSMYRGSPMTR-MSOLQXFVSA-N 2 1 339.443 1.278 20 30 EDEDMP CC[N@H+]1CCCN(C(=O)N[C@@H](c2nccn2C)C2CCOCC2)CC1 ZINC000329260852 444515202 /nfs/dbraw/zinc/51/52/02/444515202.db2.gz AQGDFPYUHBSLIX-MRXNPFEDSA-N 2 1 349.479 1.829 20 30 EDEDMP C[C@@H]1CC[C@](CO)([NH+](C)CC#CC[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000342168984 444545939 /nfs/dbraw/zinc/54/59/39/444545939.db2.gz OVNOUZSETNDTFY-ZRNYENFQSA-N 2 1 336.520 1.956 20 30 EDEDMP CN(CCC[N@@H+](C)CC(=O)NC1(C#N)CCCCC1)CC[NH+](C)C ZINC000344026444 444737252 /nfs/dbraw/zinc/73/72/52/444737252.db2.gz JUXMUTAORLRZRL-UHFFFAOYSA-N 2 1 337.512 1.144 20 30 EDEDMP Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCn4ccnc4C3)CC2)c1 ZINC000330186320 444878261 /nfs/dbraw/zinc/87/82/61/444878261.db2.gz JSDXFINRCKSMNW-HNNXBMFYSA-N 2 1 340.431 1.638 20 30 EDEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCN(C)[C@@H]1c1ccnn1C ZINC000346910654 445227968 /nfs/dbraw/zinc/22/79/68/445227968.db2.gz CJGYWQJTJHFUPA-UXLLHSPISA-N 2 1 333.480 1.426 20 30 EDEDMP C=CCNC(=O)[C@H](C)N(C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346910654 445227969 /nfs/dbraw/zinc/22/79/69/445227969.db2.gz CJGYWQJTJHFUPA-UXLLHSPISA-N 2 1 333.480 1.426 20 30 EDEDMP C[C@H](C[NH+](C)C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000358524801 445632944 /nfs/dbraw/zinc/63/29/44/445632944.db2.gz VDMPWVASNKJAMS-MRXNPFEDSA-N 2 1 343.475 1.726 20 30 EDEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000364348949 445912650 /nfs/dbraw/zinc/91/26/50/445912650.db2.gz VGWBETBYRNTCDV-WMEZAQDKSA-N 2 1 348.491 1.274 20 30 EDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000364348949 445912660 /nfs/dbraw/zinc/91/26/60/445912660.db2.gz VGWBETBYRNTCDV-WMEZAQDKSA-N 2 1 348.491 1.274 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000565652344 448375207 /nfs/dbraw/zinc/37/52/07/448375207.db2.gz INMJEUJEWPABGU-INIZCTEOSA-N 2 1 335.404 1.575 20 30 EDEDMP CC(C)[N@@H+](C)C[C@H](O)CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000590602555 449215083 /nfs/dbraw/zinc/21/50/83/449215083.db2.gz KZTQIJGHPFWABL-FQEVSTJZSA-N 2 1 344.503 1.767 20 30 EDEDMP CC(C)[NH+](C)C[C@H](O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000590602555 449215091 /nfs/dbraw/zinc/21/50/91/449215091.db2.gz KZTQIJGHPFWABL-FQEVSTJZSA-N 2 1 344.503 1.767 20 30 EDEDMP CC(C)[NH+](C)C[C@H](O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000590602555 449215097 /nfs/dbraw/zinc/21/50/97/449215097.db2.gz KZTQIJGHPFWABL-FQEVSTJZSA-N 2 1 344.503 1.767 20 30 EDEDMP Cc1cc(NC[C@@H](C)C[NH+](C)C)c(C#N)c(NC[C@H](C)C[NH+](C)C)[nH+]1 ZINC000596238524 449433486 /nfs/dbraw/zinc/43/34/86/449433486.db2.gz UZDDQWXFLZMATL-CABCVRRESA-N 3 1 346.523 2.481 20 30 EDEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000598723100 449564422 /nfs/dbraw/zinc/56/44/22/449564422.db2.gz DUYVINVHMHHXPR-QZTJIDSGSA-N 2 1 331.460 1.644 20 30 EDEDMP Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1C#N ZINC000599347001 449910641 /nfs/dbraw/zinc/91/06/41/449910641.db2.gz PTGXBOPPVILBOQ-UHFFFAOYSA-N 2 1 329.444 1.526 20 30 EDEDMP C=CC[C@@]1(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662756498 453494745 /nfs/dbraw/zinc/49/47/45/453494745.db2.gz HPOIFXJNSOVCDR-FQEVSTJZSA-N 2 1 348.535 1.751 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000764662554 580126108 /nfs/dbraw/zinc/12/61/08/580126108.db2.gz ACFOWLFQZZOHLR-SFHVURJKSA-N 2 1 331.460 1.377 20 30 EDEDMP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000899909634 591977204 /nfs/dbraw/zinc/97/72/04/591977204.db2.gz FVNYMNCFNORYPV-QGZVFWFLSA-N 2 1 329.444 1.662 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000819024770 593734525 /nfs/dbraw/zinc/73/45/25/593734525.db2.gz VCLLXSFZJAYJPR-INIZCTEOSA-N 2 1 341.496 1.892 20 30 EDEDMP C#C[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H]1CCCO1 ZINC000847757526 595479712 /nfs/dbraw/zinc/47/97/12/595479712.db2.gz AJPQHGOXOBRCLH-MOPGFXCFSA-N 2 1 347.503 1.480 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000852860801 595581785 /nfs/dbraw/zinc/58/17/85/595581785.db2.gz VGQHJWNTRUSTSL-IBGZPJMESA-N 2 1 325.456 1.770 20 30 EDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000876729594 597309953 /nfs/dbraw/zinc/30/99/53/597309953.db2.gz RPGHGTNXJRDEED-MJGOQNOKSA-N 2 1 338.455 1.832 20 30 EDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CCC[N@@H+](CC3CC3)C1)C2 ZINC000884421697 598100567 /nfs/dbraw/zinc/10/05/67/598100567.db2.gz BNOSJPZUDZOIFN-XNGIKWSVSA-N 2 1 330.476 1.364 20 30 EDEDMP C=C(C)CC[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001032080044 698247066 /nfs/dbraw/zinc/24/70/66/698247066.db2.gz FPHNFCFITCSJAS-UHFFFAOYSA-N 2 1 325.416 1.895 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943518991 698434598 /nfs/dbraw/zinc/43/45/98/698434598.db2.gz VFYZODYAXKPZLY-NVXWUHKLSA-N 2 1 333.480 1.461 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cc(C)on3)C2)CC1 ZINC000939811329 699959393 /nfs/dbraw/zinc/95/93/93/699959393.db2.gz RZESLQKJMXTICE-KBXCAEBGSA-N 2 1 344.459 1.265 20 30 EDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901662 700976636 /nfs/dbraw/zinc/97/66/36/700976636.db2.gz PVPDEXXFZAVDDS-ZEVUXNIQSA-N 2 1 345.487 1.090 20 30 EDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901662 700976637 /nfs/dbraw/zinc/97/66/37/700976637.db2.gz PVPDEXXFZAVDDS-ZEVUXNIQSA-N 2 1 345.487 1.090 20 30 EDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901662 700976638 /nfs/dbraw/zinc/97/66/38/700976638.db2.gz PVPDEXXFZAVDDS-ZEVUXNIQSA-N 2 1 345.487 1.090 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000921678152 706615754 /nfs/dbraw/zinc/61/57/54/706615754.db2.gz ILXCSXMCHHMSCN-MOPGFXCFSA-N 2 1 340.471 1.829 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(Cc2ccc(C#N)s2)C1 ZINC001031978033 701983926 /nfs/dbraw/zinc/98/39/26/701983926.db2.gz MRTKVVXDURMLRW-BLLLJJGKSA-N 2 1 332.473 1.365 20 30 EDEDMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031978033 701983930 /nfs/dbraw/zinc/98/39/30/701983930.db2.gz MRTKVVXDURMLRW-BLLLJJGKSA-N 2 1 332.473 1.365 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001031978033 701983933 /nfs/dbraw/zinc/98/39/33/701983933.db2.gz MRTKVVXDURMLRW-BLLLJJGKSA-N 2 1 332.473 1.365 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000997150099 703418822 /nfs/dbraw/zinc/41/88/22/703418822.db2.gz UJXHRBOXIQJPLU-LMMKCTJWSA-N 2 1 347.503 1.337 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000997150099 703418823 /nfs/dbraw/zinc/41/88/23/703418823.db2.gz UJXHRBOXIQJPLU-LMMKCTJWSA-N 2 1 347.503 1.337 20 30 EDEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997175434 703462664 /nfs/dbraw/zinc/46/26/64/703462664.db2.gz FHIQIXMURUADDZ-JFIYKMOQSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997175434 703462666 /nfs/dbraw/zinc/46/26/66/703462666.db2.gz FHIQIXMURUADDZ-JFIYKMOQSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997297953 703556191 /nfs/dbraw/zinc/55/61/91/703556191.db2.gz HSIDRWVPRSLNDN-GFCCVEGCSA-N 2 1 330.270 1.427 20 30 EDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001004436076 704410561 /nfs/dbraw/zinc/41/05/61/704410561.db2.gz DDFWZZYHHGKVNA-RBUKOAKNSA-N 2 1 329.488 1.664 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2CC)C1 ZINC000998921999 706350067 /nfs/dbraw/zinc/35/00/67/706350067.db2.gz CMRNZDMVULCNDT-JCYILVPMSA-N 2 1 343.475 1.080 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2CC)C1 ZINC000998921999 706350068 /nfs/dbraw/zinc/35/00/68/706350068.db2.gz CMRNZDMVULCNDT-JCYILVPMSA-N 2 1 343.475 1.080 20 30 EDEDMP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001002482545 709016335 /nfs/dbraw/zinc/01/63/35/709016335.db2.gz YBMKEWGQYGAGPD-LJQANCHMSA-N 2 1 325.456 1.713 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001002482545 709016337 /nfs/dbraw/zinc/01/63/37/709016337.db2.gz YBMKEWGQYGAGPD-LJQANCHMSA-N 2 1 325.456 1.713 20 30 EDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001034240077 709623341 /nfs/dbraw/zinc/62/33/41/709623341.db2.gz GIRSTIDDCWPGST-AEFFLSMTSA-N 2 1 335.492 1.787 20 30 EDEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001034240077 709623343 /nfs/dbraw/zinc/62/33/43/709623343.db2.gz GIRSTIDDCWPGST-AEFFLSMTSA-N 2 1 335.492 1.787 20 30 EDEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001034240077 709623344 /nfs/dbraw/zinc/62/33/44/709623344.db2.gz GIRSTIDDCWPGST-AEFFLSMTSA-N 2 1 335.492 1.787 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+]([C@H](C)COC)C2)CC1 ZINC001034539182 710212858 /nfs/dbraw/zinc/21/28/58/710212858.db2.gz WSJAVYUGGUNWGV-SJLPKXTDSA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnc(C)o2)CC1 ZINC001034663673 710332910 /nfs/dbraw/zinc/33/29/10/710332910.db2.gz GVNPSDNVUHHICN-BQFCYCMXSA-N 2 1 344.459 1.598 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnc(C)o2)CC1 ZINC001034663673 710332912 /nfs/dbraw/zinc/33/29/12/710332912.db2.gz GVNPSDNVUHHICN-BQFCYCMXSA-N 2 1 344.459 1.598 20 30 EDEDMP O=C(C[NH+]1CCCC1)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001004147185 711558708 /nfs/dbraw/zinc/55/87/08/711558708.db2.gz FBATWKYWNDZBFC-UHFFFAOYSA-N 2 1 325.456 1.715 20 30 EDEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033161910 712250624 /nfs/dbraw/zinc/25/06/24/712250624.db2.gz OMVAJNLXCJGIOT-MOPGFXCFSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033161910 712250625 /nfs/dbraw/zinc/25/06/25/712250625.db2.gz OMVAJNLXCJGIOT-MOPGFXCFSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC001033161910 712250627 /nfs/dbraw/zinc/25/06/27/712250627.db2.gz OMVAJNLXCJGIOT-MOPGFXCFSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033161910 712250628 /nfs/dbraw/zinc/25/06/28/712250628.db2.gz OMVAJNLXCJGIOT-MOPGFXCFSA-N 2 1 347.503 1.433 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033161910 712250629 /nfs/dbraw/zinc/25/06/29/712250629.db2.gz OMVAJNLXCJGIOT-MOPGFXCFSA-N 2 1 347.503 1.433 20 30 EDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000158695555 441756437 /nfs/dbraw/zinc/75/64/37/441756437.db2.gz AXIMIYMAZXTSTK-CVEARBPZSA-N 2 1 345.491 1.533 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC1 ZINC000116668387 441835544 /nfs/dbraw/zinc/83/55/44/441835544.db2.gz IQIHIXQFYJQTMC-UHFFFAOYSA-N 2 1 340.471 1.820 20 30 EDEDMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000130671632 442353324 /nfs/dbraw/zinc/35/33/24/442353324.db2.gz BMNYBOVUCJJVOA-MRXNPFEDSA-N 2 1 347.507 1.846 20 30 EDEDMP Cc1ccc2c(c1)nc(CNC(=[NH2+])NCCC[NH+]1CCOCC1)n2C ZINC000183892382 442973457 /nfs/dbraw/zinc/97/34/57/442973457.db2.gz VBSGQCAGAVZEMB-UHFFFAOYSA-N 2 1 344.463 1.008 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccc(OC)c1)N(C)C ZINC000264056203 443247016 /nfs/dbraw/zinc/24/70/16/443247016.db2.gz AXLBXDREQOTHLS-SJLPKXTDSA-N 2 1 347.507 1.687 20 30 EDEDMP C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749915 443250924 /nfs/dbraw/zinc/25/09/24/443250924.db2.gz VRIDJOWKFGZXNV-IRXDYDNUSA-N 2 1 345.491 1.885 20 30 EDEDMP C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749915 443250928 /nfs/dbraw/zinc/25/09/28/443250928.db2.gz VRIDJOWKFGZXNV-IRXDYDNUSA-N 2 1 345.491 1.885 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1coc(-c2cccs2)n1 ZINC000264149497 443253033 /nfs/dbraw/zinc/25/30/33/443253033.db2.gz YTTJKPHSUZGTRO-UHFFFAOYSA-N 2 1 349.460 1.530 20 30 EDEDMP N#CCCOCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000293628044 444074548 /nfs/dbraw/zinc/07/45/48/444074548.db2.gz QVMDLEZECBJZQG-HXUWFJFHSA-N 2 1 342.487 1.809 20 30 EDEDMP N#CCCOCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000293628044 444074552 /nfs/dbraw/zinc/07/45/52/444074552.db2.gz QVMDLEZECBJZQG-HXUWFJFHSA-N 2 1 342.487 1.809 20 30 EDEDMP NC(=NOC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCO1 ZINC000289439430 444144885 /nfs/dbraw/zinc/14/48/85/444144885.db2.gz TUAISZBONFCUMM-IRXDYDNUSA-N 2 1 333.432 1.745 20 30 EDEDMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000289671193 444188998 /nfs/dbraw/zinc/18/89/98/444188998.db2.gz DMXSYLJNOGVAMR-UHFFFAOYSA-N 2 1 326.444 1.544 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000297473515 444290493 /nfs/dbraw/zinc/29/04/93/444290493.db2.gz LUVBUGVVPGWRDP-LJQANCHMSA-N 2 1 342.487 1.857 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000297473515 444290494 /nfs/dbraw/zinc/29/04/94/444290494.db2.gz LUVBUGVVPGWRDP-LJQANCHMSA-N 2 1 342.487 1.857 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000297473515 444290496 /nfs/dbraw/zinc/29/04/96/444290496.db2.gz LUVBUGVVPGWRDP-LJQANCHMSA-N 2 1 342.487 1.857 20 30 EDEDMP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)NCC[NH+]1CCCCC1 ZINC000328766016 444344797 /nfs/dbraw/zinc/34/47/97/444344797.db2.gz GZPZEQANSVGQFT-KGLIPLIRSA-N 2 1 326.441 1.104 20 30 EDEDMP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)NCC[NH+]1CCCCC1 ZINC000328766016 444344800 /nfs/dbraw/zinc/34/48/00/444344800.db2.gz GZPZEQANSVGQFT-KGLIPLIRSA-N 2 1 326.441 1.104 20 30 EDEDMP C[N@@H+](CCO)C1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC000330064229 444831580 /nfs/dbraw/zinc/83/15/80/444831580.db2.gz CCLCSYMUGHWKAB-ZXFUBFMLSA-N 2 1 338.496 1.304 20 30 EDEDMP C[NH+](CCO)C1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000330064229 444831584 /nfs/dbraw/zinc/83/15/84/444831584.db2.gz CCLCSYMUGHWKAB-ZXFUBFMLSA-N 2 1 338.496 1.304 20 30 EDEDMP C[NH+](CCO)C1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000330064229 444831587 /nfs/dbraw/zinc/83/15/87/444831587.db2.gz CCLCSYMUGHWKAB-ZXFUBFMLSA-N 2 1 338.496 1.304 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330233791 444899982 /nfs/dbraw/zinc/89/99/82/444899982.db2.gz SHNBGHYJQYFTMX-ZACQAIPSSA-N 2 1 338.496 1.352 20 30 EDEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000330250901 444907382 /nfs/dbraw/zinc/90/73/82/444907382.db2.gz NDQLMHAQENIMLE-ROUUACIJSA-N 2 1 332.492 1.945 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(C#N)CCC1 ZINC000419624966 447304546 /nfs/dbraw/zinc/30/45/46/447304546.db2.gz KWRQGPSZVIQVSI-INIZCTEOSA-N 2 1 335.496 1.738 20 30 EDEDMP C=C[C@@H]1OCC[C@H]1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000459036804 447547214 /nfs/dbraw/zinc/54/72/14/447547214.db2.gz UIOKQJFEQYKZEC-BBWFWOEESA-N 2 1 338.496 1.387 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000487238952 447828424 /nfs/dbraw/zinc/82/84/24/447828424.db2.gz IECQLRSFTREJBP-AEFFLSMTSA-N 2 1 340.471 1.859 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000491778963 448119063 /nfs/dbraw/zinc/11/90/63/448119063.db2.gz JPRVIASKLOCPJJ-LJQANCHMSA-N 2 1 342.487 1.763 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000491778963 448119069 /nfs/dbraw/zinc/11/90/69/448119069.db2.gz JPRVIASKLOCPJJ-LJQANCHMSA-N 2 1 342.487 1.763 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491778963 448119075 /nfs/dbraw/zinc/11/90/75/448119075.db2.gz JPRVIASKLOCPJJ-LJQANCHMSA-N 2 1 342.487 1.763 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000565294390 448364379 /nfs/dbraw/zinc/36/43/79/448364379.db2.gz PWOCUBXGBAUTFC-GOSISDBHSA-N 2 1 343.475 1.778 20 30 EDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCO1 ZINC000595907470 449246587 /nfs/dbraw/zinc/24/65/87/449246587.db2.gz VDQGTNKPAYTFGC-GOSISDBHSA-N 2 1 344.459 1.929 20 30 EDEDMP C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CCCCC#N)(N2CCCCC2)CC1 ZINC000594439473 449517451 /nfs/dbraw/zinc/51/74/51/449517451.db2.gz QWJOCDOYBWLTEA-KRWDZBQOSA-N 2 1 349.523 1.464 20 30 EDEDMP C[NH+]1CCN([C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)c2cccs2)CC1 ZINC000600727625 449520226 /nfs/dbraw/zinc/52/02/26/449520226.db2.gz PAUGKANXVDDHTA-JKSUJKDBSA-N 2 1 348.516 1.681 20 30 EDEDMP N#Cc1cccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1F ZINC000603238178 450167312 /nfs/dbraw/zinc/16/73/12/450167312.db2.gz SMXYYHMTDKSXNI-UHFFFAOYSA-N 2 1 328.395 1.303 20 30 EDEDMP CCN(CCNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1C ZINC000104170794 528318357 /nfs/dbraw/zinc/31/83/57/528318357.db2.gz IUDYYSZMRJHKDD-UHFFFAOYSA-N 2 1 347.507 1.448 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC[NH+](C)C)c1 ZINC000104163132 529100175 /nfs/dbraw/zinc/10/01/75/529100175.db2.gz BKRAIESUOULWRZ-KRWDZBQOSA-N 3 1 347.507 1.516 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000764251771 580116608 /nfs/dbraw/zinc/11/66/08/580116608.db2.gz ZQYXQHAEKFBOOL-UHFFFAOYSA-N 2 1 334.439 1.182 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000764509099 580122266 /nfs/dbraw/zinc/12/22/66/580122266.db2.gz RAFBHMNINGUBSG-UHFFFAOYSA-N 2 1 334.464 1.737 20 30 EDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000779648748 580492661 /nfs/dbraw/zinc/49/26/61/580492661.db2.gz GEEHUNDTGJGYRX-OAHLLOKOSA-N 2 1 345.403 1.104 20 30 EDEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000779648748 580492662 /nfs/dbraw/zinc/49/26/62/580492662.db2.gz GEEHUNDTGJGYRX-OAHLLOKOSA-N 2 1 345.403 1.104 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000899024507 591638692 /nfs/dbraw/zinc/63/86/92/591638692.db2.gz PAXLGJNBLNMILZ-IBGZPJMESA-N 2 1 334.423 1.961 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000899024507 591638693 /nfs/dbraw/zinc/63/86/93/591638693.db2.gz PAXLGJNBLNMILZ-IBGZPJMESA-N 2 1 334.423 1.961 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000900745038 592115869 /nfs/dbraw/zinc/11/58/69/592115869.db2.gz NXWGZKJOVFVEEE-PKOBYXMFSA-N 2 1 345.487 1.761 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000900745038 592115873 /nfs/dbraw/zinc/11/58/73/592115873.db2.gz NXWGZKJOVFVEEE-PKOBYXMFSA-N 2 1 345.487 1.761 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000900818990 592136927 /nfs/dbraw/zinc/13/69/27/592136927.db2.gz PVWLFJSKLLUPLY-PKOBYXMFSA-N 2 1 345.487 1.900 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000900818990 592136929 /nfs/dbraw/zinc/13/69/29/592136929.db2.gz PVWLFJSKLLUPLY-PKOBYXMFSA-N 2 1 345.487 1.900 20 30 EDEDMP C#CCN1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000905460849 592541473 /nfs/dbraw/zinc/54/14/73/592541473.db2.gz OBCVYYGXBWSOMH-UXHICEINSA-N 2 1 327.472 1.311 20 30 EDEDMP CC[NH+](CC)CCN1c2ccccc2C(=NN2CC[NH+](C)CC2)C1=O ZINC000839383278 593294117 /nfs/dbraw/zinc/29/41/17/593294117.db2.gz HVEMMIGNDNFOIU-UHFFFAOYSA-N 2 1 343.475 1.327 20 30 EDEDMP C#CC[C@@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000829804650 594268096 /nfs/dbraw/zinc/26/80/96/594268096.db2.gz JKYWFZRVZNRALM-QGZVFWFLSA-N 2 1 329.444 1.659 20 30 EDEDMP C[C@H](c1ccc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1)[NH+]1CCOCC1 ZINC000841115800 594853499 /nfs/dbraw/zinc/85/34/99/594853499.db2.gz WDGWPTVTMMXNQM-UNEWFSDZSA-N 2 1 343.431 1.313 20 30 EDEDMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000843116167 595290912 /nfs/dbraw/zinc/29/09/12/595290912.db2.gz WGTQLESWLXWQIO-LPHOPBHVSA-N 2 1 340.427 1.236 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)CC1 ZINC000861984838 596169852 /nfs/dbraw/zinc/16/98/52/596169852.db2.gz NEBHHGRPSFBDGF-UHFFFAOYSA-N 2 1 333.476 1.045 20 30 EDEDMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000867945126 596628618 /nfs/dbraw/zinc/62/86/18/596628618.db2.gz RGIIGYGCRAQQGT-MDASCCDHSA-N 2 1 340.471 1.934 20 30 EDEDMP COCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000879125282 597827111 /nfs/dbraw/zinc/82/71/11/597827111.db2.gz WWKWELPZCKPGQJ-IBGZPJMESA-N 2 1 331.460 1.882 20 30 EDEDMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884187372 598019595 /nfs/dbraw/zinc/01/95/95/598019595.db2.gz CFZBKXBMXKVBPI-FVRSWCFKSA-N 2 1 336.399 1.654 20 30 EDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[N@H+](C3CCCC3)CC1)C2 ZINC000884208635 598030449 /nfs/dbraw/zinc/03/04/49/598030449.db2.gz GSCWSCYWJZCZLR-WUJZJPHMSA-N 2 1 330.476 1.603 20 30 EDEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@@H+](C)Cc1ccccc1 ZINC000884219906 598032968 /nfs/dbraw/zinc/03/29/68/598032968.db2.gz AQEPHSREUQTBFX-DGZYCVBISA-N 2 1 340.471 1.762 20 30 EDEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@@H]21 ZINC000992842968 695402038 /nfs/dbraw/zinc/40/20/38/695402038.db2.gz OJTUARGWFZDTIG-ZYSHUDEJSA-N 2 1 349.438 1.731 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993371139 696021944 /nfs/dbraw/zinc/02/19/44/696021944.db2.gz YPJUBPCKZNBFTN-CVEARBPZSA-N 2 1 331.464 1.051 20 30 EDEDMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001031682900 697507529 /nfs/dbraw/zinc/50/75/29/697507529.db2.gz ZQXPPCSGGQFORI-VQIMIIECSA-N 2 1 325.456 1.426 20 30 EDEDMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001031682900 697507532 /nfs/dbraw/zinc/50/75/32/697507532.db2.gz ZQXPPCSGGQFORI-VQIMIIECSA-N 2 1 325.456 1.426 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941231926 701405624 /nfs/dbraw/zinc/40/56/24/701405624.db2.gz YONHYOSSFBKNON-IRXDYDNUSA-N 2 1 337.508 1.890 20 30 EDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941231926 701405625 /nfs/dbraw/zinc/40/56/25/701405625.db2.gz YONHYOSSFBKNON-IRXDYDNUSA-N 2 1 337.508 1.890 20 30 EDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231926 701405626 /nfs/dbraw/zinc/40/56/26/701405626.db2.gz YONHYOSSFBKNON-IRXDYDNUSA-N 2 1 337.508 1.890 20 30 EDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231926 701405627 /nfs/dbraw/zinc/40/56/27/701405627.db2.gz YONHYOSSFBKNON-IRXDYDNUSA-N 2 1 337.508 1.890 20 30 EDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(Cc2ccc(F)c(C#N)c2)C1 ZINC001031977691 702030888 /nfs/dbraw/zinc/03/08/88/702030888.db2.gz GKCJRIRMEBXZEA-SUMWQHHRSA-N 2 1 344.434 1.443 20 30 EDEDMP C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997003527 703267404 /nfs/dbraw/zinc/26/74/04/703267404.db2.gz AIYGTTCUDWTRNP-SMDDNHRTSA-N 2 1 344.297 1.673 20 30 EDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000942837065 703350155 /nfs/dbraw/zinc/35/01/55/703350155.db2.gz GDDUMAKNPMEPOL-RDJZCZTQSA-N 2 1 344.459 1.734 20 30 EDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](C)C1 ZINC000942837065 703350157 /nfs/dbraw/zinc/35/01/57/703350157.db2.gz GDDUMAKNPMEPOL-RDJZCZTQSA-N 2 1 344.459 1.734 20 30 EDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997276526 703535881 /nfs/dbraw/zinc/53/58/81/703535881.db2.gz JOAQYUACDWWHPP-RHSMWYFYSA-N 2 1 328.460 1.604 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@H]1CCCCO1 ZINC001032453984 703640086 /nfs/dbraw/zinc/64/00/86/703640086.db2.gz YNMFVFNNYJYBLY-OKYOBFRVSA-N 2 1 345.487 1.328 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@H]1CCCCO1 ZINC001032453984 703640087 /nfs/dbraw/zinc/64/00/87/703640087.db2.gz YNMFVFNNYJYBLY-OKYOBFRVSA-N 2 1 345.487 1.328 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCCO1 ZINC001032453984 703640088 /nfs/dbraw/zinc/64/00/88/703640088.db2.gz YNMFVFNNYJYBLY-OKYOBFRVSA-N 2 1 345.487 1.328 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CCCCO1 ZINC001032453984 703640089 /nfs/dbraw/zinc/64/00/89/703640089.db2.gz YNMFVFNNYJYBLY-OKYOBFRVSA-N 2 1 345.487 1.328 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC#CC)CC1 ZINC001004460157 704453890 /nfs/dbraw/zinc/45/38/90/704453890.db2.gz XPGSNBUEMXYYMB-UXHICEINSA-N 2 1 341.499 1.810 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC#CC)CC1 ZINC001004460157 704453891 /nfs/dbraw/zinc/45/38/91/704453891.db2.gz XPGSNBUEMXYYMB-UXHICEINSA-N 2 1 341.499 1.810 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#CC)CC1 ZINC001004460157 704453893 /nfs/dbraw/zinc/45/38/93/704453893.db2.gz XPGSNBUEMXYYMB-UXHICEINSA-N 2 1 341.499 1.810 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC#CC)CC1 ZINC001004460157 704453895 /nfs/dbraw/zinc/45/38/95/704453895.db2.gz XPGSNBUEMXYYMB-UXHICEINSA-N 2 1 341.499 1.810 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000997830990 704751362 /nfs/dbraw/zinc/75/13/62/704751362.db2.gz GNCKOQVBBKQOLW-MOPGFXCFSA-N 2 1 347.503 1.339 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000997830990 704751363 /nfs/dbraw/zinc/75/13/63/704751363.db2.gz GNCKOQVBBKQOLW-MOPGFXCFSA-N 2 1 347.503 1.339 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CCO)CC2)CC1 ZINC000998193592 705497708 /nfs/dbraw/zinc/49/77/08/705497708.db2.gz BKFHIHFRJXJQKI-GOSISDBHSA-N 2 1 335.492 1.027 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000998929270 706357479 /nfs/dbraw/zinc/35/74/79/706357479.db2.gz QONDGQWKGUKNMU-ACBHZAAOSA-N 2 1 347.503 1.480 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000998929270 706357481 /nfs/dbraw/zinc/35/74/81/706357481.db2.gz QONDGQWKGUKNMU-ACBHZAAOSA-N 2 1 347.503 1.480 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000999835447 707469144 /nfs/dbraw/zinc/46/91/44/707469144.db2.gz GAIBRWGKUORUDP-KLAILNCOSA-N 2 1 344.434 1.728 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033661023 708473733 /nfs/dbraw/zinc/47/37/33/708473733.db2.gz KACYMTNVDAYSGU-NVXWUHKLSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001033661023 708473736 /nfs/dbraw/zinc/47/37/36/708473736.db2.gz KACYMTNVDAYSGU-NVXWUHKLSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001033661023 708473740 /nfs/dbraw/zinc/47/37/40/708473740.db2.gz KACYMTNVDAYSGU-NVXWUHKLSA-N 2 1 344.434 1.682 20 30 EDEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC001033661023 708473744 /nfs/dbraw/zinc/47/37/44/708473744.db2.gz KACYMTNVDAYSGU-NVXWUHKLSA-N 2 1 344.434 1.682 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCC(F)(F)F)C2)CC1 ZINC001033688619 708495880 /nfs/dbraw/zinc/49/58/80/708495880.db2.gz SBBPHXRLYDFKHL-HNNXBMFYSA-N 2 1 345.409 1.817 20 30 EDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001040538877 708533170 /nfs/dbraw/zinc/53/31/70/708533170.db2.gz LZBWUXVAXCWJAF-MJGOQNOKSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001040538877 708533172 /nfs/dbraw/zinc/53/31/72/708533172.db2.gz LZBWUXVAXCWJAF-MJGOQNOKSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040538877 708533174 /nfs/dbraw/zinc/53/31/74/708533174.db2.gz LZBWUXVAXCWJAF-MJGOQNOKSA-N 2 1 333.476 1.045 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040538877 708533177 /nfs/dbraw/zinc/53/31/77/708533177.db2.gz LZBWUXVAXCWJAF-MJGOQNOKSA-N 2 1 333.476 1.045 20 30 EDEDMP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001002480085 709030464 /nfs/dbraw/zinc/03/04/64/709030464.db2.gz MKGWOAUVABDROT-GOSISDBHSA-N 2 1 344.434 1.872 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001002480085 709030466 /nfs/dbraw/zinc/03/04/66/709030466.db2.gz MKGWOAUVABDROT-GOSISDBHSA-N 2 1 344.434 1.872 20 30 EDEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034321130 709771306 /nfs/dbraw/zinc/77/13/06/709771306.db2.gz RRPLUKLMQFJMPS-NRGCRIOASA-N 2 1 347.503 1.787 20 30 EDEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034321130 709771311 /nfs/dbraw/zinc/77/13/11/709771311.db2.gz RRPLUKLMQFJMPS-NRGCRIOASA-N 2 1 347.503 1.787 20 30 EDEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034321130 709771317 /nfs/dbraw/zinc/77/13/17/709771317.db2.gz RRPLUKLMQFJMPS-NRGCRIOASA-N 2 1 347.503 1.787 20 30 EDEDMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001034525727 710176733 /nfs/dbraw/zinc/17/67/33/710176733.db2.gz PXOBNCYOSDLBKZ-RBUKOAKNSA-N 2 1 340.471 1.981 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3C#N)C2)C1 ZINC001034525727 710176734 /nfs/dbraw/zinc/17/67/34/710176734.db2.gz PXOBNCYOSDLBKZ-RBUKOAKNSA-N 2 1 340.471 1.981 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001034525727 710176735 /nfs/dbraw/zinc/17/67/35/710176735.db2.gz PXOBNCYOSDLBKZ-RBUKOAKNSA-N 2 1 340.471 1.981 20 30 EDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccc3C#N)C2)C1 ZINC001034525727 710176736 /nfs/dbraw/zinc/17/67/36/710176736.db2.gz PXOBNCYOSDLBKZ-RBUKOAKNSA-N 2 1 340.471 1.981 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnoc2C)CC1 ZINC001034664245 710333610 /nfs/dbraw/zinc/33/36/10/710333610.db2.gz ZTSRUZSQCXAQEW-BZSNNMDCSA-N 2 1 344.459 1.598 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnoc2C)CC1 ZINC001034664245 710333611 /nfs/dbraw/zinc/33/36/11/710333611.db2.gz ZTSRUZSQCXAQEW-BZSNNMDCSA-N 2 1 344.459 1.598 20 30 EDEDMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003636935 710466861 /nfs/dbraw/zinc/46/68/61/710466861.db2.gz YSWJEDGJQNCCPN-YLJYHZDGSA-N 2 1 339.483 1.816 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001003636935 710466863 /nfs/dbraw/zinc/46/68/63/710466863.db2.gz YSWJEDGJQNCCPN-YLJYHZDGSA-N 2 1 339.483 1.816 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001034818232 711204104 /nfs/dbraw/zinc/20/41/04/711204104.db2.gz LFFKMQGXYYBKQJ-IBGZPJMESA-N 2 1 325.456 1.900 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001034818232 711204106 /nfs/dbraw/zinc/20/41/06/711204106.db2.gz LFFKMQGXYYBKQJ-IBGZPJMESA-N 2 1 325.456 1.900 20 30 EDEDMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)C1 ZINC001004140996 711540140 /nfs/dbraw/zinc/54/01/40/711540140.db2.gz BIHOBFFHAVWVIO-HNNXBMFYSA-N 2 1 344.434 1.730 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)C1 ZINC001004140996 711540143 /nfs/dbraw/zinc/54/01/43/711540143.db2.gz BIHOBFFHAVWVIO-HNNXBMFYSA-N 2 1 344.434 1.730 20 30 EDEDMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C1 ZINC001004141147 711540776 /nfs/dbraw/zinc/54/07/76/711540776.db2.gz CJLZIPKJNSXGKP-QGZVFWFLSA-N 2 1 343.446 1.710 20 30 EDEDMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C1 ZINC001004141147 711540779 /nfs/dbraw/zinc/54/07/79/711540779.db2.gz CJLZIPKJNSXGKP-QGZVFWFLSA-N 2 1 343.446 1.710 20 30 EDEDMP N#Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004147879 711560416 /nfs/dbraw/zinc/56/04/16/711560416.db2.gz MQLKMRADBVAGNF-UHFFFAOYSA-N 2 1 326.444 1.735 20 30 EDEDMP CN(CC#CCN(C)[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH+](C2CC2)C1 ZINC000341883841 282337812 /nfs/dbraw/zinc/33/78/12/282337812.db2.gz ORJQAIBKZZEJAE-PMACEKPBSA-N 2 1 330.520 1.327 20 30 EDEDMP CO[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)[N@H+](C)C1 ZINC000329039870 539398550 /nfs/dbraw/zinc/39/85/50/539398550.db2.gz SJWQOOWQLVBAKO-IRXDYDNUSA-N 2 1 332.448 1.722 20 30 EDEDMP CO[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)[N@@H+](C)C1 ZINC000329039870 539398554 /nfs/dbraw/zinc/39/85/54/539398554.db2.gz SJWQOOWQLVBAKO-IRXDYDNUSA-N 2 1 332.448 1.722 20 30 EDEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCOCC1)c1cccc(OC)c1 ZINC000264075238 249330364 /nfs/dbraw/zinc/33/03/64/249330364.db2.gz HGXKNTLYHQLXLT-KRWDZBQOSA-N 2 1 334.464 1.725 20 30 EDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(C)C ZINC000343172359 250010601 /nfs/dbraw/zinc/01/06/01/250010601.db2.gz SCXSGUIUUZOEEZ-MSOLQXFVSA-N 2 1 334.508 1.191 20 30 EDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(C)C ZINC000343172360 250011832 /nfs/dbraw/zinc/01/18/32/250011832.db2.gz SCXSGUIUUZOEEZ-QZTJIDSGSA-N 2 1 334.508 1.191 20 30 EDEDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCCC#N ZINC000354459899 250090522 /nfs/dbraw/zinc/09/05/22/250090522.db2.gz OBLKVANQZCVZPT-MRXNPFEDSA-N 2 1 344.525 1.358 20 30 EDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCCCC#N ZINC000354459899 250090525 /nfs/dbraw/zinc/09/05/25/250090525.db2.gz OBLKVANQZCVZPT-MRXNPFEDSA-N 2 1 344.525 1.358 20 30 EDEDMP C#CC[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CCCCC1 ZINC000490589267 255093540 /nfs/dbraw/zinc/09/35/40/255093540.db2.gz BAKRXZCTIGPBPS-UHFFFAOYSA-N 2 1 332.448 1.228 20 30 EDEDMP C#CC[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CCCCC1 ZINC000490589267 255093541 /nfs/dbraw/zinc/09/35/41/255093541.db2.gz BAKRXZCTIGPBPS-UHFFFAOYSA-N 2 1 332.448 1.228 20 30 EDEDMP C[NH+](C)CC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000364403926 153227886 /nfs/dbraw/zinc/22/78/86/153227886.db2.gz OIJYHASFDOSQGE-OAHLLOKOSA-N 2 1 332.473 1.999 20 30 EDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000418484298 268218341 /nfs/dbraw/zinc/21/83/41/268218341.db2.gz CTDGAIBHPNROQI-GOSISDBHSA-N 2 1 341.459 1.513 20 30 EDEDMP C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158484044 441739265 /nfs/dbraw/zinc/73/92/65/441739265.db2.gz XSJNVANNQZHGAW-HOCLYGCPSA-N 2 1 332.496 1.541 20 30 EDEDMP COc1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1F ZINC000170915021 442288141 /nfs/dbraw/zinc/28/81/41/442288141.db2.gz PVEDMLLKLSSVBF-UHFFFAOYSA-N 2 1 338.427 1.003 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000184076865 442989549 /nfs/dbraw/zinc/98/95/49/442989549.db2.gz SQCYJCUSKLPILC-PXNSSMCTSA-N 2 1 339.483 1.968 20 30 EDEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000262099744 443183035 /nfs/dbraw/zinc/18/30/35/443183035.db2.gz IPZBADNDOAUPMK-KRWDZBQOSA-N 2 1 331.460 1.740 20 30 EDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000261655958 443163169 /nfs/dbraw/zinc/16/31/69/443163169.db2.gz ADFPKOVEIJSOPV-ZBFHGGJFSA-N 2 1 329.452 1.547 20 30 EDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000267506744 443479897 /nfs/dbraw/zinc/47/98/97/443479897.db2.gz YRZDCBNYDLPSKD-KRWDZBQOSA-N 2 1 347.507 1.004 20 30 EDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000267506744 443479900 /nfs/dbraw/zinc/47/99/00/443479900.db2.gz YRZDCBNYDLPSKD-KRWDZBQOSA-N 2 1 347.507 1.004 20 30 EDEDMP Cc1csc([C@@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000273507287 443577030 /nfs/dbraw/zinc/57/70/30/443577030.db2.gz QGFDXMUXDMLLIQ-LBPRGKRZSA-N 2 1 325.482 1.182 20 30 EDEDMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000283674266 443687653 /nfs/dbraw/zinc/68/76/53/443687653.db2.gz VMKWUCZLOISZBN-UHFFFAOYSA-N 2 1 326.444 1.687 20 30 EDEDMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000283674266 443687657 /nfs/dbraw/zinc/68/76/57/443687657.db2.gz VMKWUCZLOISZBN-UHFFFAOYSA-N 2 1 326.444 1.687 20 30 EDEDMP C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285418641 443977232 /nfs/dbraw/zinc/97/72/32/443977232.db2.gz GONZBALTUJLMCO-WFFDWFOESA-N 2 1 329.444 1.855 20 30 EDEDMP C[NH+](C[C@H](O)COc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285418641 443977237 /nfs/dbraw/zinc/97/72/37/443977237.db2.gz GONZBALTUJLMCO-WFFDWFOESA-N 2 1 329.444 1.855 20 30 EDEDMP C[NH+](C[C@H](O)COc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285418641 443977240 /nfs/dbraw/zinc/97/72/40/443977240.db2.gz GONZBALTUJLMCO-WFFDWFOESA-N 2 1 329.444 1.855 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000293884828 444093462 /nfs/dbraw/zinc/09/34/62/444093462.db2.gz CYFUZWOONYRBPR-LJQANCHMSA-N 2 1 343.471 1.256 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000293884828 444093467 /nfs/dbraw/zinc/09/34/67/444093467.db2.gz CYFUZWOONYRBPR-LJQANCHMSA-N 2 1 343.471 1.256 20 30 EDEDMP Cc1[nH+]ccn1CCCC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000574512776 321487051 /nfs/dbraw/zinc/48/70/51/321487051.db2.gz XAVYLJRBIKJGEV-UHFFFAOYSA-N 2 1 346.456 1.907 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000296981762 444266719 /nfs/dbraw/zinc/26/67/19/444266719.db2.gz HGJKQSDMDTUYJZ-UHFFFAOYSA-N 2 1 343.475 1.745 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000296981762 444266720 /nfs/dbraw/zinc/26/67/20/444266720.db2.gz HGJKQSDMDTUYJZ-UHFFFAOYSA-N 2 1 343.475 1.745 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000297642235 444312454 /nfs/dbraw/zinc/31/24/54/444312454.db2.gz HWOMHYRNWPVOPX-UHFFFAOYSA-N 2 1 325.416 1.654 20 30 EDEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329413244 444570346 /nfs/dbraw/zinc/57/03/46/444570346.db2.gz DRKNTBGBXMIFPX-CABCVRRESA-N 2 1 326.485 1.019 20 30 EDEDMP N#CC1(NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCC1 ZINC000347058228 445230427 /nfs/dbraw/zinc/23/04/27/445230427.db2.gz RLGMIOBDUUGUPU-UHFFFAOYSA-N 2 1 334.464 1.126 20 30 EDEDMP C#CCNC(=O)CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000491203827 447956359 /nfs/dbraw/zinc/95/63/59/447956359.db2.gz ZOISEUYCUFVJCU-UHFFFAOYSA-N 2 1 348.535 1.254 20 30 EDEDMP C#CCNC(=O)CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000491203827 447956365 /nfs/dbraw/zinc/95/63/65/447956365.db2.gz ZOISEUYCUFVJCU-UHFFFAOYSA-N 3 1 348.535 1.254 20 30 EDEDMP C#CCNC(=O)CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000491203827 447956372 /nfs/dbraw/zinc/95/63/72/447956372.db2.gz ZOISEUYCUFVJCU-UHFFFAOYSA-N 3 1 348.535 1.254 20 30 EDEDMP N#Cc1ncn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000571045996 448099427 /nfs/dbraw/zinc/09/94/27/448099427.db2.gz RXMUBUNYTJCIBS-KRWDZBQOSA-N 2 1 336.443 1.937 20 30 EDEDMP N#Cc1ncn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000571045996 448099431 /nfs/dbraw/zinc/09/94/31/448099431.db2.gz RXMUBUNYTJCIBS-KRWDZBQOSA-N 2 1 336.443 1.937 20 30 EDEDMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000528398354 448511808 /nfs/dbraw/zinc/51/18/08/448511808.db2.gz FTDXRBPUNBDSJR-WMZOPIPTSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528398354 448511811 /nfs/dbraw/zinc/51/18/11/448511811.db2.gz FTDXRBPUNBDSJR-WMZOPIPTSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528398354 448511816 /nfs/dbraw/zinc/51/18/16/448511816.db2.gz FTDXRBPUNBDSJR-WMZOPIPTSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528398354 448511821 /nfs/dbraw/zinc/51/18/21/448511821.db2.gz FTDXRBPUNBDSJR-WMZOPIPTSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528398354 448511826 /nfs/dbraw/zinc/51/18/26/448511826.db2.gz FTDXRBPUNBDSJR-WMZOPIPTSA-N 2 1 331.460 1.962 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593883686 449261513 /nfs/dbraw/zinc/26/15/13/449261513.db2.gz RRHIBLBCLJGCSY-KRWDZBQOSA-N 2 1 326.444 1.591 20 30 EDEDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CCCO1 ZINC000600736348 449525697 /nfs/dbraw/zinc/52/56/97/449525697.db2.gz XUYYHCAPVJVVLB-IRXDYDNUSA-N 2 1 339.480 1.148 20 30 EDEDMP C[NH+]1CCC(CNC(=O)[C@H]([NH3+])CCCCC#N)(N2CCCCC2)CC1 ZINC000594439474 449518588 /nfs/dbraw/zinc/51/85/88/449518588.db2.gz QWJOCDOYBWLTEA-QGZVFWFLSA-N 2 1 349.523 1.464 20 30 EDEDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600728873 449521038 /nfs/dbraw/zinc/52/10/38/449521038.db2.gz CAIFXTGDQPXOSQ-SJLPKXTDSA-N 2 1 331.460 1.865 20 30 EDEDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000602877769 449885602 /nfs/dbraw/zinc/88/56/02/449885602.db2.gz PXNSUDSEUWYGOY-UHFFFAOYSA-N 2 1 326.444 1.592 20 30 EDEDMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000602877693 449886142 /nfs/dbraw/zinc/88/61/42/449886142.db2.gz KFVAERAPXQSLBB-QGZVFWFLSA-N 2 1 329.444 1.716 20 30 EDEDMP C=CC[C@@]1(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CCC[NH2+]1 ZINC000662729411 453455999 /nfs/dbraw/zinc/45/59/99/453455999.db2.gz QGWUBARHFFLFEU-SFHVURJKSA-N 2 1 330.432 1.824 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000764498472 580121812 /nfs/dbraw/zinc/12/18/12/580121812.db2.gz HSUSCRZUQFMIFR-UHFFFAOYSA-N 2 1 346.475 1.250 20 30 EDEDMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000328659658 590761802 /nfs/dbraw/zinc/76/18/02/590761802.db2.gz TYPNGIQFYBUQSL-IKGGRYGDSA-N 2 1 338.496 1.474 20 30 EDEDMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000328659658 590761805 /nfs/dbraw/zinc/76/18/05/590761805.db2.gz TYPNGIQFYBUQSL-IKGGRYGDSA-N 2 1 338.496 1.474 20 30 EDEDMP C[NH+](C)CCCN(CCC#N)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000896890241 591652966 /nfs/dbraw/zinc/65/29/66/591652966.db2.gz IBOZGRXRGBXXDG-MRXNPFEDSA-N 2 1 332.452 1.484 20 30 EDEDMP C[NH+](C)CCCN(CCC#N)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000896890241 591652968 /nfs/dbraw/zinc/65/29/68/591652968.db2.gz IBOZGRXRGBXXDG-MRXNPFEDSA-N 2 1 332.452 1.484 20 30 EDEDMP C=CCCC[C@H]([NH3+])c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000904690701 592307982 /nfs/dbraw/zinc/30/79/82/592307982.db2.gz BPDHADSVMJSANS-AWEZNQCLSA-N 2 1 335.452 1.521 20 30 EDEDMP N#Cc1sccc1N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903769048 592311188 /nfs/dbraw/zinc/31/11/88/592311188.db2.gz YMIUIPKYBRMLTH-WMLDXEAASA-N 2 1 332.473 1.510 20 30 EDEDMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C2)[C@H]1C(C)C ZINC000905502480 592546015 /nfs/dbraw/zinc/54/60/15/592546015.db2.gz KBQBBEWLDRRZPI-BMGDNIKJSA-N 2 1 337.508 1.747 20 30 EDEDMP C#CC[C@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000829804649 594268076 /nfs/dbraw/zinc/26/80/76/594268076.db2.gz JKYWFZRVZNRALM-KRWDZBQOSA-N 2 1 329.444 1.659 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000836402589 594959975 /nfs/dbraw/zinc/95/99/75/594959975.db2.gz JRGUPFDWTUCSBX-MJGOQNOKSA-N 2 1 342.487 1.761 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000836402589 594959976 /nfs/dbraw/zinc/95/99/76/594959976.db2.gz JRGUPFDWTUCSBX-MJGOQNOKSA-N 2 1 342.487 1.761 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000836402589 594959978 /nfs/dbraw/zinc/95/99/78/594959978.db2.gz JRGUPFDWTUCSBX-MJGOQNOKSA-N 2 1 342.487 1.761 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000836488114 594968703 /nfs/dbraw/zinc/96/87/03/594968703.db2.gz GIDXWYOHQPZECI-MJGOQNOKSA-N 2 1 342.487 1.904 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000836488114 594968704 /nfs/dbraw/zinc/96/87/04/594968704.db2.gz GIDXWYOHQPZECI-MJGOQNOKSA-N 2 1 342.487 1.904 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000836488114 594968706 /nfs/dbraw/zinc/96/87/06/594968706.db2.gz GIDXWYOHQPZECI-MJGOQNOKSA-N 2 1 342.487 1.904 20 30 EDEDMP O=C(C#CC1CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000852861572 595581714 /nfs/dbraw/zinc/58/17/14/595581714.db2.gz GFJAZBNYDQRSLR-UHFFFAOYSA-N 2 1 341.455 1.503 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)COc1cccc(C#N)c1 ZINC000855346321 595680473 /nfs/dbraw/zinc/68/04/73/595680473.db2.gz WTUKNMCGHJLVKT-HNNXBMFYSA-N 2 1 332.448 1.325 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)COc1cccc(C#N)c1 ZINC000855346321 595680475 /nfs/dbraw/zinc/68/04/75/595680475.db2.gz WTUKNMCGHJLVKT-HNNXBMFYSA-N 2 1 332.448 1.325 20 30 EDEDMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3Cc4ccc(C#N)cc4C3)cn2)CC1 ZINC000865847898 596701645 /nfs/dbraw/zinc/70/16/45/596701645.db2.gz JRZYKMQWHZCFRC-IBGZPJMESA-N 2 1 348.454 1.357 20 30 EDEDMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000877229143 597469215 /nfs/dbraw/zinc/46/92/15/597469215.db2.gz HXYFSALCSSHMHP-ROUUACIJSA-N 2 1 344.459 1.333 20 30 EDEDMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000877229143 597469216 /nfs/dbraw/zinc/46/92/16/597469216.db2.gz HXYFSALCSSHMHP-ROUUACIJSA-N 2 1 344.459 1.333 20 30 EDEDMP C#CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC000877992344 597568447 /nfs/dbraw/zinc/56/84/47/597568447.db2.gz XZDVKDKNZRPLQB-LJQANCHMSA-N 2 1 325.456 1.820 20 30 EDEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCc2ccccc21 ZINC000877992344 597568448 /nfs/dbraw/zinc/56/84/48/597568448.db2.gz XZDVKDKNZRPLQB-LJQANCHMSA-N 2 1 325.456 1.820 20 30 EDEDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC[C@H]21 ZINC000879569728 597635534 /nfs/dbraw/zinc/63/55/34/597635534.db2.gz UOPSNZNNTTYOIH-ZHALLVOQSA-N 2 1 329.444 1.518 20 30 EDEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC[C@H]21 ZINC000879569728 597635535 /nfs/dbraw/zinc/63/55/35/597635535.db2.gz UOPSNZNNTTYOIH-ZHALLVOQSA-N 2 1 329.444 1.518 20 30 EDEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)CC[C@H]21 ZINC000879569728 597635537 /nfs/dbraw/zinc/63/55/37/597635537.db2.gz UOPSNZNNTTYOIH-ZHALLVOQSA-N 2 1 329.444 1.518 20 30 EDEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)CC[C@H]21 ZINC000879569728 597635539 /nfs/dbraw/zinc/63/55/39/597635539.db2.gz UOPSNZNNTTYOIH-ZHALLVOQSA-N 2 1 329.444 1.518 20 30 EDEDMP CC[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@@H+]2CC)ccc1C#N ZINC000882959271 598117122 /nfs/dbraw/zinc/11/71/22/598117122.db2.gz AAVBWIQFRBOJOS-CVEARBPZSA-N 2 1 328.464 1.965 20 30 EDEDMP CC[NH+]1CC[C@@H]1CNc1ccc(C#N)c(NC[C@@H]2CC[N@@H+]2CC)n1 ZINC000882959271 598117124 /nfs/dbraw/zinc/11/71/24/598117124.db2.gz AAVBWIQFRBOJOS-CVEARBPZSA-N 2 1 328.464 1.965 20 30 EDEDMP CC[NH+]1CC[C@@H]1CNc1ccc(C#N)c(NC[C@@H]2CC[N@H+]2CC)n1 ZINC000882959271 598117126 /nfs/dbraw/zinc/11/71/26/598117126.db2.gz AAVBWIQFRBOJOS-CVEARBPZSA-N 2 1 328.464 1.965 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCC3CCOCC3)C2)CC1 ZINC001031435159 697102893 /nfs/dbraw/zinc/10/28/93/697102893.db2.gz RNDAGOLZPSLJHY-UHFFFAOYSA-N 2 1 347.503 1.339 20 30 EDEDMP CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083096888 700260010 /nfs/dbraw/zinc/26/00/10/700260010.db2.gz YVDNUOUQDNCTTQ-GFCCVEGCSA-N 2 1 332.477 1.688 20 30 EDEDMP CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083096888 700260013 /nfs/dbraw/zinc/26/00/13/700260013.db2.gz YVDNUOUQDNCTTQ-GFCCVEGCSA-N 2 1 332.477 1.688 20 30 EDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943772206 698877319 /nfs/dbraw/zinc/87/73/19/698877319.db2.gz QYEYYVRYHUFXHL-RHSMWYFYSA-N 2 1 325.416 1.894 20 30 EDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943772206 698877322 /nfs/dbraw/zinc/87/73/22/698877322.db2.gz QYEYYVRYHUFXHL-RHSMWYFYSA-N 2 1 325.416 1.894 20 30 EDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C ZINC000939148409 699251321 /nfs/dbraw/zinc/25/13/21/699251321.db2.gz TZMNMYGUWZAWDH-YOEHRIQHSA-N 2 1 332.448 1.897 20 30 EDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C(C)(C)C1 ZINC000940882773 700962640 /nfs/dbraw/zinc/96/26/40/700962640.db2.gz YDCMUQLVHMIMOF-KRWDZBQOSA-N 2 1 337.427 1.731 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC3)CC2(C)C)CC1 ZINC000941237283 701427808 /nfs/dbraw/zinc/42/78/08/701427808.db2.gz KHQHDDMUQKNFMH-SFHVURJKSA-N 2 1 331.504 1.958 20 30 EDEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001040944979 702199470 /nfs/dbraw/zinc/19/94/70/702199470.db2.gz KYZLXZIPMJLSFM-GOSISDBHSA-N 2 1 349.519 1.988 20 30 EDEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001040944979 702199475 /nfs/dbraw/zinc/19/94/75/702199475.db2.gz KYZLXZIPMJLSFM-GOSISDBHSA-N 2 1 349.519 1.988 20 30 EDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942530033 703030992 /nfs/dbraw/zinc/03/09/92/703030992.db2.gz OKFJWBQMVLXLET-LPHOPBHVSA-N 2 1 327.472 1.864 20 30 EDEDMP C=C(C)CN1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000996766254 703057537 /nfs/dbraw/zinc/05/75/37/703057537.db2.gz PBRUKTQEGYJXNF-CTWPCTMYSA-N 2 1 348.535 1.702 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000997008459 703266528 /nfs/dbraw/zinc/26/65/28/703266528.db2.gz MMNOQISOKLZLKT-BEFAXECRSA-N 2 1 340.471 1.837 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000997300867 703544440 /nfs/dbraw/zinc/54/44/40/703544440.db2.gz YOYZRGTWTRHKRS-INIZCTEOSA-N 2 1 344.434 1.730 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004378515 704354209 /nfs/dbraw/zinc/35/42/09/704354209.db2.gz GSPATLKHITUWQN-MSOLQXFVSA-N 2 1 335.492 1.596 20 30 EDEDMP C=C(C)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004378515 704354211 /nfs/dbraw/zinc/35/42/11/704354211.db2.gz GSPATLKHITUWQN-MSOLQXFVSA-N 2 1 335.492 1.596 20 30 EDEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004378515 704354213 /nfs/dbraw/zinc/35/42/13/704354213.db2.gz GSPATLKHITUWQN-MSOLQXFVSA-N 2 1 335.492 1.596 20 30 EDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004378515 704354215 /nfs/dbraw/zinc/35/42/15/704354215.db2.gz GSPATLKHITUWQN-MSOLQXFVSA-N 2 1 335.492 1.596 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCF)CC1 ZINC001004457343 704450708 /nfs/dbraw/zinc/45/07/08/704450708.db2.gz KCNXVWIISAXNQK-ROUUACIJSA-N 2 1 335.467 1.757 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCF)CC1 ZINC001004457343 704450710 /nfs/dbraw/zinc/45/07/10/704450710.db2.gz KCNXVWIISAXNQK-ROUUACIJSA-N 2 1 335.467 1.757 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCF)CC1 ZINC001004457343 704450711 /nfs/dbraw/zinc/45/07/11/704450711.db2.gz KCNXVWIISAXNQK-ROUUACIJSA-N 2 1 335.467 1.757 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCF)CC1 ZINC001004457343 704450713 /nfs/dbraw/zinc/45/07/13/704450713.db2.gz KCNXVWIISAXNQK-ROUUACIJSA-N 2 1 335.467 1.757 20 30 EDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997724058 704620140 /nfs/dbraw/zinc/62/01/40/704620140.db2.gz IEQWQVSPPTXJQN-FUHWJXTLSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997724058 704620143 /nfs/dbraw/zinc/62/01/43/704620143.db2.gz IEQWQVSPPTXJQN-FUHWJXTLSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997724061 704620260 /nfs/dbraw/zinc/62/02/60/704620260.db2.gz IEQWQVSPPTXJQN-WMZOPIPTSA-N 2 1 337.508 1.888 20 30 EDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997724061 704620262 /nfs/dbraw/zinc/62/02/62/704620262.db2.gz IEQWQVSPPTXJQN-WMZOPIPTSA-N 2 1 337.508 1.888 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000998922553 706350618 /nfs/dbraw/zinc/35/06/18/706350618.db2.gz IZYMVXUSQNUYJL-ABHNRTSZSA-N 2 1 344.434 1.397 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000998922553 706350622 /nfs/dbraw/zinc/35/06/22/706350622.db2.gz IZYMVXUSQNUYJL-ABHNRTSZSA-N 2 1 344.434 1.397 20 30 EDEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000999836748 707471848 /nfs/dbraw/zinc/47/18/48/707471848.db2.gz LFFKDIHYBWSLRP-AOCRQIFASA-N 2 1 326.444 1.589 20 30 EDEDMP C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999986227 707657334 /nfs/dbraw/zinc/65/73/34/707657334.db2.gz GAEAQXWRMBWSQJ-DJIMGWMZSA-N 2 1 346.479 1.057 20 30 EDEDMP C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999986227 707657341 /nfs/dbraw/zinc/65/73/41/707657341.db2.gz GAEAQXWRMBWSQJ-DJIMGWMZSA-N 2 1 346.479 1.057 20 30 EDEDMP C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999986227 707657345 /nfs/dbraw/zinc/65/73/45/707657345.db2.gz GAEAQXWRMBWSQJ-DJIMGWMZSA-N 2 1 346.479 1.057 20 30 EDEDMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(C#N)c2)C1 ZINC001032731096 707731277 /nfs/dbraw/zinc/73/12/77/707731277.db2.gz ZKXMSVHQVPBZJA-FHWLQOOXSA-N 2 1 338.455 1.685 20 30 EDEDMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(C#N)c2)C1 ZINC001032731096 707731282 /nfs/dbraw/zinc/73/12/82/707731282.db2.gz ZKXMSVHQVPBZJA-FHWLQOOXSA-N 2 1 338.455 1.685 20 30 EDEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(C#N)c2)C1 ZINC001032731096 707731285 /nfs/dbraw/zinc/73/12/85/707731285.db2.gz ZKXMSVHQVPBZJA-FHWLQOOXSA-N 2 1 338.455 1.685 20 30 EDEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(C#N)c2)C1 ZINC001032731096 707731287 /nfs/dbraw/zinc/73/12/87/707731287.db2.gz ZKXMSVHQVPBZJA-FHWLQOOXSA-N 2 1 338.455 1.685 20 30 EDEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033940679 709147062 /nfs/dbraw/zinc/14/70/62/709147062.db2.gz NYCGORZQUUEDGG-SJLPKXTDSA-N 2 1 328.460 1.700 20 30 EDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033940679 709147065 /nfs/dbraw/zinc/14/70/65/709147065.db2.gz NYCGORZQUUEDGG-SJLPKXTDSA-N 2 1 328.460 1.700 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](C[C@H](CC)OC)C2)CC1 ZINC001034044899 709297025 /nfs/dbraw/zinc/29/70/25/709297025.db2.gz FVYHBTFVJKEYCO-MOPGFXCFSA-N 2 1 349.519 1.679 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nccn43)CC[C@@H]2C1 ZINC000946623297 711922879 /nfs/dbraw/zinc/92/28/79/711922879.db2.gz GKPVTBCIUDMICH-IXDOHACOSA-N 2 1 326.444 1.564 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623297 711922880 /nfs/dbraw/zinc/92/28/80/711922880.db2.gz GKPVTBCIUDMICH-IXDOHACOSA-N 2 1 326.444 1.564 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC[C@@H]2C1 ZINC000946623297 711922881 /nfs/dbraw/zinc/92/28/81/711922881.db2.gz GKPVTBCIUDMICH-IXDOHACOSA-N 2 1 326.444 1.564 20 30 EDEDMP C[NH+]1CCN(c2ncccc2CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000264098656 249333866 /nfs/dbraw/zinc/33/38/66/249333866.db2.gz NHOWTDATHHNFTQ-UHFFFAOYSA-N 2 1 330.480 1.570 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000358786354 250144795 /nfs/dbraw/zinc/14/47/95/250144795.db2.gz JLFFIKSKWDSUPV-QGZVFWFLSA-N 2 1 338.496 1.293 20 30 EDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375889552 250281906 /nfs/dbraw/zinc/28/19/06/250281906.db2.gz KGUCWGOIBVDWMM-GOSISDBHSA-N 2 1 336.524 1.511 20 30 EDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375889552 250281911 /nfs/dbraw/zinc/28/19/11/250281911.db2.gz KGUCWGOIBVDWMM-GOSISDBHSA-N 2 1 336.524 1.511 20 30 EDEDMP CC[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000424132924 252135971 /nfs/dbraw/zinc/13/59/71/252135971.db2.gz LHERRYCZBKMTEZ-ZWKOTPCHSA-N 2 1 328.460 1.961 20 30 EDEDMP C#CCN1CCN(C(=O)CN(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000490759612 255105528 /nfs/dbraw/zinc/10/55/28/255105528.db2.gz DGNBBYPPQHGYAR-MRXNPFEDSA-N 2 1 329.444 1.465 20 30 EDEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N[C@H](C)c1cc2ccccc2o1 ZINC000088806244 441524284 /nfs/dbraw/zinc/52/42/84/441524284.db2.gz UPOUZKPIFXUTLB-ZBFHGGJFSA-N 2 1 343.475 1.905 20 30 EDEDMP CN(C(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)C1(C#N)CCCCC1 ZINC000174725701 441960501 /nfs/dbraw/zinc/96/05/01/441960501.db2.gz UMONVJCIVMMLTB-UHFFFAOYSA-N 2 1 349.523 1.241 20 30 EDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([N@@H+](C)CCO)CC2)CC1 ZINC000163008394 442138429 /nfs/dbraw/zinc/13/84/29/442138429.db2.gz SPSTWIRNESAWKR-UHFFFAOYSA-N 2 1 338.496 1.125 20 30 EDEDMP CCOCCCNC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000178585817 442445926 /nfs/dbraw/zinc/44/59/26/442445926.db2.gz PWIBCXWFXKSZBE-UHFFFAOYSA-N 2 1 339.528 1.268 20 30 EDEDMP C[NH+]=C(NCCn1cnc2ccccc21)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261942094 443174352 /nfs/dbraw/zinc/17/43/52/443174352.db2.gz DSNPGYRXYZOZLR-NVXWUHKLSA-N 2 1 342.491 1.930 20 30 EDEDMP Cc1ccc(SCCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264056199 443247004 /nfs/dbraw/zinc/24/70/04/443247004.db2.gz AXJNBTINLMJRPZ-UHFFFAOYSA-N 2 1 336.505 1.714 20 30 EDEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])N[C@H](C)COC)cc2)CC1 ZINC000264063400 443247271 /nfs/dbraw/zinc/24/72/71/443247271.db2.gz ACUJNGKUHTZQEP-MRXNPFEDSA-N 2 1 347.507 1.263 20 30 EDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)c1ccc(Cl)cc1 ZINC000264105372 443248764 /nfs/dbraw/zinc/24/87/64/443248764.db2.gz PFOYXFZMJVVMDA-HNNXBMFYSA-N 2 1 340.855 1.000 20 30 EDEDMP C[NH+](CC#CC[N@@H+](C)CCCn1ccnc1)CCCn1ccnc1 ZINC000276322517 443686857 /nfs/dbraw/zinc/68/68/57/443686857.db2.gz PANNYXAELBNHIE-UHFFFAOYSA-N 2 1 328.464 1.427 20 30 EDEDMP C=C(C)CS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000276502825 443725382 /nfs/dbraw/zinc/72/53/82/443725382.db2.gz CMLSTXPDINSODP-UHFFFAOYSA-N 2 1 338.477 1.089 20 30 EDEDMP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)CN1CC[NH+](C)CC1 ZINC000288626315 443937562 /nfs/dbraw/zinc/93/75/62/443937562.db2.gz AELIITMBNAEGOH-LBPRGKRZSA-N 2 1 325.407 1.575 20 30 EDEDMP Cn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000305839961 444282798 /nfs/dbraw/zinc/28/27/98/444282798.db2.gz YSAFJLLFYUJRQE-GOSISDBHSA-N 2 1 339.443 1.505 20 30 EDEDMP C=CCN1CC[C@@H]([NH+]2CCC(CCC[N@H+](C)CCOC)CC2)C1=O ZINC000337183507 444976687 /nfs/dbraw/zinc/97/66/87/444976687.db2.gz NQSCBYLFMIASCA-GOSISDBHSA-N 2 1 337.508 1.844 20 30 EDEDMP C=CCOCC[N@@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339109238 445036195 /nfs/dbraw/zinc/03/61/95/445036195.db2.gz MMXKJRXGQKLQQQ-CABCVRRESA-N 2 1 337.443 1.594 20 30 EDEDMP C=CCOCC[N@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000339109238 445036199 /nfs/dbraw/zinc/03/61/99/445036199.db2.gz MMXKJRXGQKLQQQ-CABCVRRESA-N 2 1 337.443 1.594 20 30 EDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000491370819 448005781 /nfs/dbraw/zinc/00/57/81/448005781.db2.gz BGDVJRJOPKDOFR-KRWDZBQOSA-N 2 1 338.496 1.084 20 30 EDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCOC)[C@@H](CCC)C1 ZINC000491370819 448005788 /nfs/dbraw/zinc/00/57/88/448005788.db2.gz BGDVJRJOPKDOFR-KRWDZBQOSA-N 2 1 338.496 1.084 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CCOC)[C@@H](CCC)C1 ZINC000491370819 448005794 /nfs/dbraw/zinc/00/57/94/448005794.db2.gz BGDVJRJOPKDOFR-KRWDZBQOSA-N 2 1 338.496 1.084 20 30 EDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000563528886 448306883 /nfs/dbraw/zinc/30/68/83/448306883.db2.gz MHCOILGWINLZQW-OAHLLOKOSA-N 2 1 335.404 1.575 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1cccc(C#N)c1 ZINC000596126624 449376141 /nfs/dbraw/zinc/37/61/41/449376141.db2.gz NCSUXVSDQSOYJD-HNNXBMFYSA-N 2 1 331.464 1.629 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1cccc(C#N)c1 ZINC000596126624 449376144 /nfs/dbraw/zinc/37/61/44/449376144.db2.gz NCSUXVSDQSOYJD-HNNXBMFYSA-N 2 1 331.464 1.629 20 30 EDEDMP N#CC1(C[C@H](O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000602849518 449857572 /nfs/dbraw/zinc/85/75/72/449857572.db2.gz RPYKZMFMMISGHB-SFHVURJKSA-N 2 1 344.459 1.665 20 30 EDEDMP N#CC1(C[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCOCC1 ZINC000599300079 449874285 /nfs/dbraw/zinc/87/42/85/449874285.db2.gz MJLUQUROFKRREZ-MSOLQXFVSA-N 2 1 335.492 1.866 20 30 EDEDMP CN1CCN(C(=O)CC[N@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000599677722 450145462 /nfs/dbraw/zinc/14/54/62/450145462.db2.gz KJZJHRHLVGFYFM-UHFFFAOYSA-N 2 1 326.444 1.275 20 30 EDEDMP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000599677722 450145476 /nfs/dbraw/zinc/14/54/76/450145476.db2.gz KJZJHRHLVGFYFM-UHFFFAOYSA-N 2 1 326.444 1.275 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000664020774 452722187 /nfs/dbraw/zinc/72/21/87/452722187.db2.gz UCKDZNAOCLXDRC-INIZCTEOSA-N 3 1 339.528 1.208 20 30 EDEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000662079503 452825001 /nfs/dbraw/zinc/82/50/01/452825001.db2.gz GVMVKGKOGSWDKU-FGTMMUONSA-N 2 1 335.492 1.642 20 30 EDEDMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000662079503 452825007 /nfs/dbraw/zinc/82/50/07/452825007.db2.gz GVMVKGKOGSWDKU-FGTMMUONSA-N 2 1 335.492 1.642 20 30 EDEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000662079503 452825018 /nfs/dbraw/zinc/82/50/18/452825018.db2.gz GVMVKGKOGSWDKU-FGTMMUONSA-N 2 1 335.492 1.642 20 30 EDEDMP C=C[C@H](CO)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000662167626 452906294 /nfs/dbraw/zinc/90/62/94/452906294.db2.gz CDXXTZUTCXWYJT-OAHLLOKOSA-N 2 1 335.473 1.310 20 30 EDEDMP C=CC[C@]1(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCC[NH2+]1 ZINC000662752422 453486918 /nfs/dbraw/zinc/48/69/18/453486918.db2.gz YJTKFJARWUPZCQ-LJQANCHMSA-N 2 1 343.475 1.877 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000126763225 526923248 /nfs/dbraw/zinc/92/32/48/526923248.db2.gz OGLRHIWQIBQOMY-HKUYNNGSSA-N 2 1 329.488 1.807 20 30 EDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(-n2cccn2)c1 ZINC000104164110 529101001 /nfs/dbraw/zinc/10/10/01/529101001.db2.gz GZXCPBBLLMLGBD-HNNXBMFYSA-N 2 1 327.436 1.156 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000749068773 579712045 /nfs/dbraw/zinc/71/20/45/579712045.db2.gz OQCMGMFYTKCVGK-APWZRJJASA-N 2 1 340.471 1.821 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000749068773 579712046 /nfs/dbraw/zinc/71/20/46/579712046.db2.gz OQCMGMFYTKCVGK-APWZRJJASA-N 2 1 340.471 1.821 20 30 EDEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC1=NNC(=S)NCCC[NH+](C)C ZINC000751528228 579811768 /nfs/dbraw/zinc/81/17/68/579811768.db2.gz BJPBZKQULLQTKN-OAHLLOKOSA-N 2 1 347.532 1.910 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NNC(=S)NCCC[NH+](C)C ZINC000751528228 579811769 /nfs/dbraw/zinc/81/17/69/579811769.db2.gz BJPBZKQULLQTKN-OAHLLOKOSA-N 2 1 347.532 1.910 20 30 EDEDMP C[C@H](CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])C[NH+](C)C ZINC000793749872 580854631 /nfs/dbraw/zinc/85/46/31/580854631.db2.gz XDZUMVNKORWWGI-ZDUSSCGKSA-N 2 1 341.459 1.844 20 30 EDEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCO[C@@H](C)C#N)CC2)CC1 ZINC000801921135 581088010 /nfs/dbraw/zinc/08/80/10/581088010.db2.gz YXOVQSCITPIPFD-INIZCTEOSA-N 2 1 336.480 1.181 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000900209957 591944196 /nfs/dbraw/zinc/94/41/96/591944196.db2.gz VNKMPIHHGHEJBD-UHFFFAOYSA-N 2 1 344.503 1.558 20 30 EDEDMP C=C(CC[NH+](C)C)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000900782775 592122526 /nfs/dbraw/zinc/12/25/26/592122526.db2.gz JRCIZBFRIICNPO-UHFFFAOYSA-N 2 1 344.503 1.775 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000843798837 595189756 /nfs/dbraw/zinc/18/97/56/595189756.db2.gz FJZXXGNHTIRMJH-BZSNNMDCSA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000843798837 595189758 /nfs/dbraw/zinc/18/97/58/595189758.db2.gz FJZXXGNHTIRMJH-BZSNNMDCSA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCOCC)C[C@@H]1C ZINC000843798837 595189760 /nfs/dbraw/zinc/18/97/60/595189760.db2.gz FJZXXGNHTIRMJH-BZSNNMDCSA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCOCC)C[C@@H]1C ZINC000843798837 595189762 /nfs/dbraw/zinc/18/97/62/595189762.db2.gz FJZXXGNHTIRMJH-BZSNNMDCSA-N 2 1 335.492 1.337 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000843825172 595195084 /nfs/dbraw/zinc/19/50/84/595195084.db2.gz YITWNUDGHDZCNZ-OALUTQOASA-N 2 1 345.487 1.900 20 30 EDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000843825172 595195088 /nfs/dbraw/zinc/19/50/88/595195088.db2.gz YITWNUDGHDZCNZ-OALUTQOASA-N 2 1 345.487 1.900 20 30 EDEDMP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000852863533 595584257 /nfs/dbraw/zinc/58/42/57/595584257.db2.gz PQFPFXLYVOBKNQ-INIZCTEOSA-N 2 1 325.456 1.552 20 30 EDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)/C=C\c1ccccc1C#N ZINC000855346197 595680694 /nfs/dbraw/zinc/68/06/94/595680694.db2.gz RKCGRNRAZTVXBL-SNGWPZLWSA-N 2 1 328.460 1.960 20 30 EDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)/C=C\c1ccccc1C#N ZINC000855346197 595680697 /nfs/dbraw/zinc/68/06/97/595680697.db2.gz RKCGRNRAZTVXBL-SNGWPZLWSA-N 2 1 328.460 1.960 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000856082098 595890385 /nfs/dbraw/zinc/89/03/85/595890385.db2.gz IGPAQPVLUMNGEA-QZTJIDSGSA-N 2 1 345.487 1.091 20 30 EDEDMP N#Cc1cc(C[NH+](CCO)C2CC2)cc(C[N@H+](CCO)C2CC2)c1 ZINC000877961407 597566421 /nfs/dbraw/zinc/56/64/21/597566421.db2.gz LSTFYMLAVBFWQK-UHFFFAOYSA-N 2 1 329.444 1.472 20 30 EDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000884078461 597987686 /nfs/dbraw/zinc/98/76/86/597987686.db2.gz NNQGTFLVGJSPTP-MSOLQXFVSA-N 2 1 334.508 1.895 20 30 EDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000884078461 597987688 /nfs/dbraw/zinc/98/76/88/597987688.db2.gz NNQGTFLVGJSPTP-MSOLQXFVSA-N 2 1 334.508 1.895 20 30 EDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000884078461 597987690 /nfs/dbraw/zinc/98/76/90/597987690.db2.gz NNQGTFLVGJSPTP-MSOLQXFVSA-N 2 1 334.508 1.895 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000884078461 597987691 /nfs/dbraw/zinc/98/76/91/597987691.db2.gz NNQGTFLVGJSPTP-MSOLQXFVSA-N 2 1 334.508 1.895 20 30 EDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000884090049 597991818 /nfs/dbraw/zinc/99/18/18/597991818.db2.gz IOVTVNYPLIHJFX-SFHVURJKSA-N 2 1 328.460 1.515 20 30 EDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000884090049 597991819 /nfs/dbraw/zinc/99/18/19/597991819.db2.gz IOVTVNYPLIHJFX-SFHVURJKSA-N 2 1 328.460 1.515 20 30 EDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000884090049 597991822 /nfs/dbraw/zinc/99/18/22/597991822.db2.gz IOVTVNYPLIHJFX-SFHVURJKSA-N 2 1 328.460 1.515 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000884090049 597991823 /nfs/dbraw/zinc/99/18/23/597991823.db2.gz IOVTVNYPLIHJFX-SFHVURJKSA-N 2 1 328.460 1.515 20 30 EDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000884160185 598011101 /nfs/dbraw/zinc/01/11/01/598011101.db2.gz WUMYSMXNVOOJPB-ZWKOTPCHSA-N 2 1 346.450 1.825 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000884160185 598011103 /nfs/dbraw/zinc/01/11/03/598011103.db2.gz WUMYSMXNVOOJPB-ZWKOTPCHSA-N 2 1 346.450 1.825 20 30 EDEDMP Cc1[nH+]ccn1-c1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cn1 ZINC000884187909 598019205 /nfs/dbraw/zinc/01/92/05/598019205.db2.gz SIJJDRKYCAFPDZ-FVRSWCFKSA-N 2 1 336.399 1.654 20 30 EDEDMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001031684708 697512364 /nfs/dbraw/zinc/51/23/64/697512364.db2.gz ZTFZHTXLTQBSBV-RBUKOAKNSA-N 2 1 340.471 1.837 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001031740738 698311888 /nfs/dbraw/zinc/31/18/88/698311888.db2.gz KFHUOKXVXDBEHC-FQEVSTJZSA-N 2 1 339.483 1.949 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cc(C)cc(C)c2)C1 ZINC001031740738 698311890 /nfs/dbraw/zinc/31/18/90/698311890.db2.gz KFHUOKXVXDBEHC-FQEVSTJZSA-N 2 1 339.483 1.949 20 30 EDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000939745637 699911348 /nfs/dbraw/zinc/91/13/48/699911348.db2.gz DLYONTGTTYKGMC-LRDDRELGSA-N 2 1 343.456 1.761 20 30 EDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940753972 700890684 /nfs/dbraw/zinc/89/06/84/700890684.db2.gz RYPYKFBWBAYKMW-INIZCTEOSA-N 2 1 333.480 1.461 20 30 EDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033741 701076750 /nfs/dbraw/zinc/07/67/50/701076750.db2.gz UJISGVILRMLEIS-FUHWJXTLSA-N 2 1 342.487 1.994 20 30 EDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000941033741 701076751 /nfs/dbraw/zinc/07/67/51/701076751.db2.gz UJISGVILRMLEIS-FUHWJXTLSA-N 2 1 342.487 1.994 20 30 EDEDMP C=CC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1(C)C ZINC000996310734 702700125 /nfs/dbraw/zinc/70/01/25/702700125.db2.gz PHIOVLMOFADOQC-INIZCTEOSA-N 2 1 332.448 1.897 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnoc2C)CC1 ZINC000996685010 702982797 /nfs/dbraw/zinc/98/27/97/702982797.db2.gz LKFGQEKYBKNCKG-KRWDZBQOSA-N 2 1 330.432 1.161 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnoc2C)CC1 ZINC000996685010 702982800 /nfs/dbraw/zinc/98/28/00/702982800.db2.gz LKFGQEKYBKNCKG-KRWDZBQOSA-N 2 1 330.432 1.161 20 30 EDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000997275966 703535673 /nfs/dbraw/zinc/53/56/73/703535673.db2.gz CHISWGKKSDXPAG-CRAIPNDOSA-N 2 1 342.487 1.994 20 30 EDEDMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cc(F)ccc3C#N)CC2)C1 ZINC000997298403 703556492 /nfs/dbraw/zinc/55/64/92/703556492.db2.gz IZSBGXKNLFLMRR-HNNXBMFYSA-N 2 1 344.434 1.730 20 30 EDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC000995551001 703955367 /nfs/dbraw/zinc/95/53/67/703955367.db2.gz LLAULSZCKVPWRQ-MSOLQXFVSA-N 2 1 340.471 1.979 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC000998188839 705493895 /nfs/dbraw/zinc/49/38/95/705493895.db2.gz KSHWEAVVYRCVAU-ZWKOTPCHSA-N 2 1 337.508 1.986 20 30 EDEDMP C=CCC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998188839 705493896 /nfs/dbraw/zinc/49/38/96/705493896.db2.gz KSHWEAVVYRCVAU-ZWKOTPCHSA-N 2 1 337.508 1.986 20 30 EDEDMP C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998188839 705493897 /nfs/dbraw/zinc/49/38/97/705493897.db2.gz KSHWEAVVYRCVAU-ZWKOTPCHSA-N 2 1 337.508 1.986 20 30 EDEDMP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000998188839 705493898 /nfs/dbraw/zinc/49/38/98/705493898.db2.gz KSHWEAVVYRCVAU-ZWKOTPCHSA-N 2 1 337.508 1.986 20 30 EDEDMP C=CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998188839 705493899 /nfs/dbraw/zinc/49/38/99/705493899.db2.gz KSHWEAVVYRCVAU-ZWKOTPCHSA-N 2 1 337.508 1.986 20 30 EDEDMP C#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1C(F)(F)F ZINC000998264900 705631023 /nfs/dbraw/zinc/63/10/23/705631023.db2.gz COUMYOCCDBJICI-KGLIPLIRSA-N 2 1 331.382 1.473 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C(F)(F)F ZINC000998313823 705729441 /nfs/dbraw/zinc/72/94/41/705729441.db2.gz MUPYKIRASOOBHK-LSDHHAIUSA-N 2 1 345.409 1.721 20 30 EDEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC000998316406 705736735 /nfs/dbraw/zinc/73/67/35/705736735.db2.gz QUQPJIRAAFPCDY-QWHCGFSZSA-N 2 1 328.338 1.194 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000999397842 706891960 /nfs/dbraw/zinc/89/19/60/706891960.db2.gz MIMXHBDWJVQKFH-ROUUACIJSA-N 2 1 326.444 1.260 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000999397842 706891961 /nfs/dbraw/zinc/89/19/61/706891961.db2.gz MIMXHBDWJVQKFH-ROUUACIJSA-N 2 1 326.444 1.260 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000999392032 706905034 /nfs/dbraw/zinc/90/50/34/706905034.db2.gz OXZKTLUPGUDNGY-AEFFLSMTSA-N 2 1 345.512 1.969 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2cccs2)C1 ZINC000999392032 706905035 /nfs/dbraw/zinc/90/50/35/706905035.db2.gz OXZKTLUPGUDNGY-AEFFLSMTSA-N 2 1 345.512 1.969 20 30 EDEDMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000999714892 707252765 /nfs/dbraw/zinc/25/27/65/707252765.db2.gz QVQYXBHZQNYSJW-GOSISDBHSA-N 2 1 337.427 1.844 20 30 EDEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033422725 707837461 /nfs/dbraw/zinc/83/74/61/707837461.db2.gz KVDICWBGJDXYMV-HNNXBMFYSA-N 2 1 332.448 1.993 20 30 EDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001033422725 707837464 /nfs/dbraw/zinc/83/74/64/707837464.db2.gz KVDICWBGJDXYMV-HNNXBMFYSA-N 2 1 332.448 1.993 20 30 EDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)CC[C@@H]2C1 ZINC000946536648 707895073 /nfs/dbraw/zinc/89/50/73/707895073.db2.gz SHNIRLDXYAONOI-XHSDSOJGSA-N 2 1 341.883 1.240 20 30 EDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC001033685478 708499245 /nfs/dbraw/zinc/49/92/45/708499245.db2.gz UCVWOZFQHYYVBR-MJGOQNOKSA-N 2 1 347.503 1.291 20 30 EDEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034208351 709556973 /nfs/dbraw/zinc/55/69/73/709556973.db2.gz CCCJZFXHTYGFRX-QGZVFWFLSA-N 2 1 347.507 1.995 20 30 EDEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@H+](CC)CCC(F)(F)F)CC1 ZINC000922187614 710374918 /nfs/dbraw/zinc/37/49/18/710374918.db2.gz KPSSBVGJHKXHRK-UHFFFAOYSA-N 2 1 348.413 1.658 20 30 EDEDMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003636984 710466832 /nfs/dbraw/zinc/46/68/32/710466832.db2.gz YYICDLLPPKHFHH-DNVCBOLYSA-N 2 1 340.471 1.837 20 30 EDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001003636984 710466834 /nfs/dbraw/zinc/46/68/34/710466834.db2.gz YYICDLLPPKHFHH-DNVCBOLYSA-N 2 1 340.471 1.837 20 30 EDEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004485679 711864562 /nfs/dbraw/zinc/86/45/62/711864562.db2.gz RGGVLZBUVYRAHH-GOSISDBHSA-N 2 1 328.460 1.918 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004485679 711864564 /nfs/dbraw/zinc/86/45/64/711864564.db2.gz RGGVLZBUVYRAHH-GOSISDBHSA-N 2 1 328.460 1.918 20 30 EDEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004578910 712009918 /nfs/dbraw/zinc/00/99/18/712009918.db2.gz YKWGCLIGGBZUJS-LJQANCHMSA-N 2 1 347.503 1.435 20 30 EDEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001004578910 712009920 /nfs/dbraw/zinc/00/99/20/712009920.db2.gz YKWGCLIGGBZUJS-LJQANCHMSA-N 2 1 347.503 1.435 20 30 EDEDMP CC#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004618972 712079686 /nfs/dbraw/zinc/07/96/86/712079686.db2.gz YYSUDEKGQLPFCC-GOSISDBHSA-N 2 1 328.460 1.918 20 30 EDEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004618972 712079688 /nfs/dbraw/zinc/07/96/88/712079688.db2.gz YYSUDEKGQLPFCC-GOSISDBHSA-N 2 1 328.460 1.918 20 30 EDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC[C@@H]2C1 ZINC000946642720 712128739 /nfs/dbraw/zinc/12/87/39/712128739.db2.gz QSHKAPNOCGKKCG-FCGDIQPGSA-N 2 1 329.488 1.807 20 30 EDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642720 712128740 /nfs/dbraw/zinc/12/87/40/712128740.db2.gz QSHKAPNOCGKKCG-FCGDIQPGSA-N 2 1 329.488 1.807 20 30 EDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642720 712128743 /nfs/dbraw/zinc/12/87/43/712128743.db2.gz QSHKAPNOCGKKCG-FCGDIQPGSA-N 2 1 329.488 1.807 20 30 EDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000104176130 530039415 /nfs/dbraw/zinc/03/94/15/530039415.db2.gz RUZRTZYOQVCILP-SFHVURJKSA-N 2 1 347.507 1.095 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000358692270 250141294 /nfs/dbraw/zinc/14/12/94/250141294.db2.gz ROXFVHIDPGIYHE-UHFFFAOYSA-N 2 1 339.528 1.162 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000358692270 250141297 /nfs/dbraw/zinc/14/12/97/250141297.db2.gz ROXFVHIDPGIYHE-UHFFFAOYSA-N 2 1 339.528 1.162 20 30 EDEDMP CCN(CCC#N)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376163784 250285062 /nfs/dbraw/zinc/28/50/62/250285062.db2.gz CTKBEFQFOCBPHB-UHFFFAOYSA-N 2 1 343.475 1.992 20 30 EDEDMP C#CCN1CCN(C(=O)C[NH+]2CCC(C[N@H+](C)CCCC)CC2)CC1 ZINC000490778196 255106474 /nfs/dbraw/zinc/10/64/74/255106474.db2.gz BNMYTINAOFJTDR-UHFFFAOYSA-N 2 1 348.535 1.208 20 30 EDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496162468 255359522 /nfs/dbraw/zinc/35/95/22/255359522.db2.gz VAXUFLQHFRIIGV-GOSISDBHSA-N 2 1 341.496 1.892 20 30 EDEDMP COc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1C#N ZINC000414769290 447326183 /nfs/dbraw/zinc/32/61/83/447326183.db2.gz WGRSPXQCNCHOPT-INIZCTEOSA-N 2 1 330.432 1.386 20 30 EDEDMP COc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1C#N ZINC000414769295 447326351 /nfs/dbraw/zinc/32/63/51/447326351.db2.gz WGRSPXQCNCHOPT-MRXNPFEDSA-N 2 1 330.432 1.386 20 30 EDEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000081571441 441290568 /nfs/dbraw/zinc/29/05/68/441290568.db2.gz MBZDMVQTGRWEMY-ROUUACIJSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000081571441 441290571 /nfs/dbraw/zinc/29/05/71/441290571.db2.gz MBZDMVQTGRWEMY-ROUUACIJSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000081571441 441290573 /nfs/dbraw/zinc/29/05/73/441290573.db2.gz MBZDMVQTGRWEMY-ROUUACIJSA-N 2 1 331.460 1.962 20 30 EDEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000081571441 441290578 /nfs/dbraw/zinc/29/05/78/441290578.db2.gz MBZDMVQTGRWEMY-ROUUACIJSA-N 2 1 331.460 1.962 20 30 EDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107372200 441414162 /nfs/dbraw/zinc/41/41/62/441414162.db2.gz TYKPVUQHZIBPPI-ZWKOTPCHSA-N 2 1 336.524 1.511 20 30 EDEDMP C=CCC[C@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000128467437 442268385 /nfs/dbraw/zinc/26/83/85/442268385.db2.gz BMCMBWABNHNKDP-SFHVURJKSA-N 2 1 337.508 1.580 20 30 EDEDMP C#CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CCCC1 ZINC000155841166 442431652 /nfs/dbraw/zinc/43/16/52/442431652.db2.gz STPTXZMHHTVDTM-GOSISDBHSA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CCCC1 ZINC000155841166 442431654 /nfs/dbraw/zinc/43/16/54/442431654.db2.gz STPTXZMHHTVDTM-GOSISDBHSA-N 2 1 335.492 1.337 20 30 EDEDMP C#CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CCCC1 ZINC000155841166 442431656 /nfs/dbraw/zinc/43/16/56/442431656.db2.gz STPTXZMHHTVDTM-GOSISDBHSA-N 2 1 335.492 1.337 20 30 EDEDMP CC[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261953263 443175749 /nfs/dbraw/zinc/17/57/49/443175749.db2.gz IANWEXROOCHJIU-XJKSGUPXSA-N 2 1 344.459 1.953 20 30 EDEDMP C[NH+]=C(NCC(=O)Nc1ccccc1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262023083 443180512 /nfs/dbraw/zinc/18/05/12/443180512.db2.gz ZEHTYPJOHBTOPP-GDBMZVCRSA-N 2 1 331.464 1.519 20 30 EDEDMP C[NH+]=C(NC[C@@]1(O)CCSC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262697981 443207833 /nfs/dbraw/zinc/20/78/33/443207833.db2.gz ACWWRWFXYWWMBK-WMZOPIPTSA-N 2 1 348.516 1.294 20 30 EDEDMP C[NH+]=C(NC[C@@]1(O)CCSC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262697981 443207836 /nfs/dbraw/zinc/20/78/36/443207836.db2.gz ACWWRWFXYWWMBK-WMZOPIPTSA-N 2 1 348.516 1.294 20 30 EDEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])N[C@@H](C)COC)CC1 ZINC000264123819 443250889 /nfs/dbraw/zinc/25/08/89/443250889.db2.gz VTLGAMZNFOXGET-INIZCTEOSA-N 2 1 347.507 1.263 20 30 EDEDMP [NH2+]=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC1CCCCC1 ZINC000264122896 443250925 /nfs/dbraw/zinc/25/09/25/443250925.db2.gz VNOQMDOZWWEULJ-UHFFFAOYSA-N 2 1 344.507 1.831 20 30 EDEDMP Cc1cnc([C@@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)s1 ZINC000273526022 443578193 /nfs/dbraw/zinc/57/81/93/443578193.db2.gz UERLZNSJVJAIMR-LBPRGKRZSA-N 2 1 325.482 1.182 20 30 EDEDMP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)CN1CC[NH+](C)CC1 ZINC000288626313 443937873 /nfs/dbraw/zinc/93/78/73/443937873.db2.gz AELIITMBNAEGOH-GFCCVEGCSA-N 2 1 325.407 1.575 20 30 EDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000297589134 444304996 /nfs/dbraw/zinc/30/49/96/444304996.db2.gz FCQUVOWOOLLRMO-QGZVFWFLSA-N 2 1 334.439 1.683 20 30 EDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CC2(O)CCOCC2)CC1 ZINC000328617519 444395951 /nfs/dbraw/zinc/39/59/51/444395951.db2.gz UGMLPXUVNSDRBZ-UHFFFAOYSA-N 2 1 327.469 1.289 20 30 EDEDMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329986660 444799916 /nfs/dbraw/zinc/79/99/16/444799916.db2.gz SADJNKSUYZLMRF-ZACQAIPSSA-N 2 1 337.512 1.143 20 30 EDEDMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329986660 444799920 /nfs/dbraw/zinc/79/99/20/444799920.db2.gz SADJNKSUYZLMRF-ZACQAIPSSA-N 2 1 337.512 1.143 20 30 EDEDMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329986660 444799925 /nfs/dbraw/zinc/79/99/25/444799925.db2.gz SADJNKSUYZLMRF-ZACQAIPSSA-N 2 1 337.512 1.143 20 30 EDEDMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@H+]1C ZINC000330125528 444853866 /nfs/dbraw/zinc/85/38/66/444853866.db2.gz BPBFIJCTCPFJOC-MWQQHZPXSA-N 2 1 338.496 1.351 20 30 EDEDMP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000330600810 445055270 /nfs/dbraw/zinc/05/52/70/445055270.db2.gz FZHUQMVHTNIKOX-GDBMZVCRSA-N 2 1 326.485 1.162 20 30 EDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346408384 445214150 /nfs/dbraw/zinc/21/41/50/445214150.db2.gz GRYAZZNYASAFII-JKSUJKDBSA-N 2 1 336.480 1.370 20 30 EDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346408384 445214152 /nfs/dbraw/zinc/21/41/52/445214152.db2.gz GRYAZZNYASAFII-JKSUJKDBSA-N 2 1 336.480 1.370 20 30 EDEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000364030368 445891532 /nfs/dbraw/zinc/89/15/32/445891532.db2.gz CYGLDTUYVMFRSX-INIZCTEOSA-N 2 1 328.460 1.158 20 30 EDEDMP C=CC[NH+]1CCC(NC(=O)C2([NH+]3CCN(C)CC3)CCCC2)CC1 ZINC000369936854 446170186 /nfs/dbraw/zinc/17/01/86/446170186.db2.gz RKLMBHUXYGZUTP-UHFFFAOYSA-N 2 1 334.508 1.313 20 30 EDEDMP C[C@H](C#N)CN(C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365840823 446365869 /nfs/dbraw/zinc/36/58/69/446365869.db2.gz NLLQEEGOJPPRHX-MRXNPFEDSA-N 2 1 349.523 1.984 20 30 EDEDMP N#CCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000424187786 446861134 /nfs/dbraw/zinc/86/11/34/446861134.db2.gz BJASWSIRWDQLCI-KRWDZBQOSA-N 2 1 343.475 1.117 20 30 EDEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000442713688 446940790 /nfs/dbraw/zinc/94/07/90/446940790.db2.gz JLBMQUBSARRHKW-SJLPKXTDSA-N 2 1 326.444 1.856 20 30 EDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000491554896 448057338 /nfs/dbraw/zinc/05/73/38/448057338.db2.gz NARQQLRFKSTEEV-UYAOXDASSA-N 2 1 330.472 1.986 20 30 EDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000491554896 448057341 /nfs/dbraw/zinc/05/73/41/448057341.db2.gz NARQQLRFKSTEEV-UYAOXDASSA-N 2 1 330.472 1.986 20 30 EDEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000579228308 448745583 /nfs/dbraw/zinc/74/55/83/448745583.db2.gz HZQPILKNWNFKQH-OALUTQOASA-N 2 1 330.476 1.304 20 30 EDEDMP CN(CCC#N)C[C@H](O)CNc1ccc(CCN2CCOCC2)cc1 ZINC000574312266 448842288 /nfs/dbraw/zinc/84/22/88/448842288.db2.gz MDJUWGKUDVAMCK-LJQANCHMSA-N 2 1 346.475 1.180 20 30 EDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000602579736 449684682 /nfs/dbraw/zinc/68/46/82/449684682.db2.gz BJUQIQFPVGSHJC-BPQIPLTHSA-N 2 1 328.460 1.892 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000742790488 579462591 /nfs/dbraw/zinc/46/25/91/579462591.db2.gz FYPRXDVHBIUQBH-MOPGFXCFSA-N 2 1 325.456 1.817 20 30 EDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000742790488 579462592 /nfs/dbraw/zinc/46/25/92/579462592.db2.gz FYPRXDVHBIUQBH-MOPGFXCFSA-N 2 1 325.456 1.817 20 30 EDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000742790488 579462593 /nfs/dbraw/zinc/46/25/93/579462593.db2.gz FYPRXDVHBIUQBH-MOPGFXCFSA-N 2 1 325.456 1.817 20 30 EDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000742790488 579462594 /nfs/dbraw/zinc/46/25/94/579462594.db2.gz FYPRXDVHBIUQBH-MOPGFXCFSA-N 2 1 325.456 1.817 20 30 EDEDMP N#CC1CCC(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000903445628 592172829 /nfs/dbraw/zinc/17/28/29/592172829.db2.gz MMCWYFLPCBRKBI-HIEASXQVSA-N 2 1 332.492 1.897 20 30 EDEDMP