smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001448526688 1093557822 /nfs/dbraw/zinc/55/78/22/1093557822.db2.gz YLTDWHZLFYKPHW-CKEIUWERSA-N 1 3 345.890 2.436 10 30 EEEEHO C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001480187502 1099781054 /nfs/dbraw/zinc/78/10/54/1099781054.db2.gz CURMBPIXQOIKIL-MOPGFXCFSA-N 1 3 333.520 2.445 10 30 EEEEHO C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001480187502 1099781063 /nfs/dbraw/zinc/78/10/63/1099781063.db2.gz CURMBPIXQOIKIL-MOPGFXCFSA-N 1 3 333.520 2.445 10 30 EEEEHO C[C@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001447883349 1103510870 /nfs/dbraw/zinc/51/08/70/1103510870.db2.gz JZVMLHPKZLPPOT-HOTGVXAUSA-N 1 3 342.487 2.415 10 30 EEEEHO C[NH+](C)CCCCC(=O)N1CC[C@H](CNCc2ccccc2C#N)C1 ZINC001480676176 1106863645 /nfs/dbraw/zinc/86/36/45/1106863645.db2.gz LBPMAEIXNCAQLQ-QGZVFWFLSA-N 1 3 342.487 2.228 10 30 EEEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCOCC1 ZINC001500589418 1112959569 /nfs/dbraw/zinc/95/95/69/1112959569.db2.gz BJBRSQORLJNRAW-QGZVFWFLSA-N 1 3 337.508 2.082 10 30 EEEEHO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001507027745 1115065436 /nfs/dbraw/zinc/06/54/36/1115065436.db2.gz LFCJLYSBWNXAOF-APWZRJJASA-N 1 3 337.483 2.049 10 30 EEEEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C#N)cc1C ZINC000118951916 279303080 /nfs/dbraw/zinc/30/30/80/279303080.db2.gz CQJGLPZHKJVGTC-GOSISDBHSA-N 1 3 342.487 2.355 10 30 EEEEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)c1ccc(C#N)cc1C ZINC000118951916 279303081 /nfs/dbraw/zinc/30/30/81/279303081.db2.gz CQJGLPZHKJVGTC-GOSISDBHSA-N 1 3 342.487 2.355 10 30 EEEEHO C=CCN1CCC(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662449341 472112904 /nfs/dbraw/zinc/11/29/04/472112904.db2.gz YIDVIODQMVPNLF-QGZVFWFLSA-N 1 3 327.472 2.445 10 30 EEEEHO C#CCN1CCC2(C[C@H]2NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001266373844 1176441509 /nfs/dbraw/zinc/44/15/09/1176441509.db2.gz MMIBLPOJYRXGNH-QGZVFWFLSA-N 1 3 331.504 2.243 10 30 EEEEHO C#CCN1CCC2(C[C@H]2NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001266373844 1176441513 /nfs/dbraw/zinc/44/15/13/1176441513.db2.gz MMIBLPOJYRXGNH-QGZVFWFLSA-N 1 3 331.504 2.243 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC/C=C/CCC)C[C@H]32)CC1 ZINC001266906128 1177772553 /nfs/dbraw/zinc/77/25/53/1177772553.db2.gz IIMKGTKGVXLYJM-JEWYTVGHSA-N 1 3 343.515 2.124 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC/C=C/CCC)C[C@H]32)CC1 ZINC001266906128 1177772562 /nfs/dbraw/zinc/77/25/62/1177772562.db2.gz IIMKGTKGVXLYJM-JEWYTVGHSA-N 1 3 343.515 2.124 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)Cc2ccccc2C)CC1 ZINC001481019593 1179510352 /nfs/dbraw/zinc/51/03/52/1179510352.db2.gz YEPLSTAYDFPWDP-UHFFFAOYSA-N 1 3 341.499 2.278 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)Cc2ccccc2C)CC1 ZINC001481019593 1179510355 /nfs/dbraw/zinc/51/03/55/1179510355.db2.gz YEPLSTAYDFPWDP-UHFFFAOYSA-N 1 3 341.499 2.278 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[N@H+](C)Cc2ccccc2C)CC1 ZINC001268259729 1182094931 /nfs/dbraw/zinc/09/49/31/1182094931.db2.gz PXBFOSBEIDMXTI-UHFFFAOYSA-N 1 3 341.499 2.230 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C)CC1 ZINC001268259729 1182094936 /nfs/dbraw/zinc/09/49/36/1182094936.db2.gz PXBFOSBEIDMXTI-UHFFFAOYSA-N 1 3 341.499 2.230 10 30 EEEEHO C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)CC(C)(C)C ZINC001670940890 1193530196 /nfs/dbraw/zinc/53/01/96/1193530196.db2.gz XBCOTFDRTZOLAK-AYHJJNSGSA-N 1 3 333.520 2.489 10 30 EEEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001486412398 1193921292 /nfs/dbraw/zinc/92/12/92/1193921292.db2.gz WFLHMIIRGXYHHT-BEFAXECRSA-N 1 3 339.499 2.343 10 30 EEEEHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001273018729 1194324988 /nfs/dbraw/zinc/32/49/88/1194324988.db2.gz NRGHJBNNUPIDEQ-GUYCJALGSA-N 1 3 334.439 2.022 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC=C(C)C)C2)CC1 ZINC001691681021 1197485302 /nfs/dbraw/zinc/48/53/02/1197485302.db2.gz PSNXZMLEASYRFK-PKOBYXMFSA-N 1 3 331.504 2.172 10 30 EEEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001410232511 1197622039 /nfs/dbraw/zinc/62/20/39/1197622039.db2.gz ZSJQGAAGLNIXQG-YHUYYLMFSA-N 1 3 327.900 2.344 10 30 EEEEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001274106049 1204373146 /nfs/dbraw/zinc/37/31/46/1204373146.db2.gz UWWDWELLIVNJBV-PHXNAMCJSA-N 1 3 340.471 2.195 10 30 EEEEHO C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001274106049 1204373148 /nfs/dbraw/zinc/37/31/48/1204373148.db2.gz UWWDWELLIVNJBV-PHXNAMCJSA-N 1 3 340.471 2.195 10 30 EEEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1Cl ZINC000305082762 1216144742 /nfs/dbraw/zinc/14/47/42/1216144742.db2.gz MWLAFVHGBUSGIP-AWEZNQCLSA-N 1 3 338.883 2.280 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC/C=C/CCC)C2)CC1 ZINC001490958390 1258509905 /nfs/dbraw/zinc/50/99/05/1258509905.db2.gz XLCNRGVRRRZKHF-OMNRABITSA-N 1 3 331.504 2.315 10 30 EEEEHO Cc1[nH]cnc1CC(=O)N[C@H](C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001277348633 1302563259 /nfs/dbraw/zinc/56/32/59/1302563259.db2.gz CJEXVEUOJHMACM-CQSZACIVSA-N 1 3 339.443 2.207 10 30 EEEEHO CC#CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001277393979 1302823188 /nfs/dbraw/zinc/82/31/88/1302823188.db2.gz VZKOWKNHIIZOQQ-KRWDZBQOSA-N 1 3 331.504 2.055 10 30 EEEEHO CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001277393979 1302823205 /nfs/dbraw/zinc/82/32/05/1302823205.db2.gz VZKOWKNHIIZOQQ-KRWDZBQOSA-N 1 3 331.504 2.055 10 30 EEEEHO C=CCOCCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001265283532 1323033982 /nfs/dbraw/zinc/03/39/82/1323033982.db2.gz GAXKJFLIBZZVGO-ZWKOTPCHSA-N 1 3 349.519 2.034 10 30 EEEEHO C=CCOCCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001265283532 1323033988 /nfs/dbraw/zinc/03/39/88/1323033988.db2.gz GAXKJFLIBZZVGO-ZWKOTPCHSA-N 1 3 349.519 2.034 10 30 EEEEHO CC(C)[C@H](C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001265378280 1323107794 /nfs/dbraw/zinc/10/77/94/1323107794.db2.gz JCFKZFRCMKYJHP-WOJBJXKFSA-N 1 3 341.499 2.109 10 30 EEEEHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265558312 1323219363 /nfs/dbraw/zinc/21/93/63/1323219363.db2.gz UYHZBIFUHWQNKM-DAYGRLMNSA-N 1 3 325.472 2.402 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001265869934 1323443493 /nfs/dbraw/zinc/44/34/93/1323443493.db2.gz GEIXMAOKWKBLGC-SFHVURJKSA-N 1 3 341.499 2.243 10 30 EEEEHO C[C@@H]1[C@@H](NCC#Cc2cccc(Cl)c2)CCN1C(=O)CC[NH+](C)C ZINC001283898281 1326308132 /nfs/dbraw/zinc/30/81/32/1326308132.db2.gz IILZDURFFKNPLX-QAPCUYQASA-N 1 3 347.890 2.222 10 30 EEEEHO C[NH+](C)CCC(=O)NCCC[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC001317437096 1332241017 /nfs/dbraw/zinc/24/10/17/1332241017.db2.gz UATTXRRGIIYBQA-HNNXBMFYSA-N 1 3 348.516 2.432 10 30 EEEEHO C#CCN1CCC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001323816356 1333546608 /nfs/dbraw/zinc/54/66/08/1333546608.db2.gz OYIZHNPNUZLGBC-HXUWFJFHSA-N 1 3 331.504 2.200 10 30 EEEEHO C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001326488857 1334103252 /nfs/dbraw/zinc/10/32/52/1334103252.db2.gz APNPWXSNTACRAU-APWZRJJASA-N 1 3 327.472 2.461 10 30 EEEEHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001330340342 1334826221 /nfs/dbraw/zinc/82/62/21/1334826221.db2.gz PMTXXSRGRZRKLO-GGXPGOJBSA-N 1 3 337.483 2.069 10 30 EEEEHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001330340342 1334826222 /nfs/dbraw/zinc/82/62/22/1334826222.db2.gz PMTXXSRGRZRKLO-GGXPGOJBSA-N 1 3 337.483 2.069 10 30 EEEEHO C[NH+](C)CCC(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001666786952 1355590601 /nfs/dbraw/zinc/59/06/01/1355590601.db2.gz JHEOKYFXLFEANH-UHFFFAOYSA-N 1 3 327.472 2.008 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(C)C)CC2(C)C)CC1 ZINC000941236855 780223526 /nfs/dbraw/zinc/22/35/26/780223526.db2.gz BTHQSFNAPUZJRV-GOSISDBHSA-N 1 3 333.520 2.204 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)CC2(C)C)CC1 ZINC000941236855 780223528 /nfs/dbraw/zinc/22/35/28/780223528.db2.gz BTHQSFNAPUZJRV-GOSISDBHSA-N 1 3 333.520 2.204 10 30 EEEEHO C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001438663351 1091152001 /nfs/dbraw/zinc/15/20/01/1091152001.db2.gz JLSYZABCNLBFCT-GJZGRUSLSA-N 1 3 348.516 2.431 10 30 EEEEHO C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001438663351 1091152005 /nfs/dbraw/zinc/15/20/05/1091152005.db2.gz JLSYZABCNLBFCT-GJZGRUSLSA-N 1 3 348.516 2.431 10 30 EEEEHO C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001438663354 1091152299 /nfs/dbraw/zinc/15/22/99/1091152299.db2.gz JLSYZABCNLBFCT-LSDHHAIUSA-N 1 3 348.516 2.431 10 30 EEEEHO C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001438663354 1091152301 /nfs/dbraw/zinc/15/23/01/1091152301.db2.gz JLSYZABCNLBFCT-LSDHHAIUSA-N 1 3 348.516 2.431 10 30 EEEEHO C[C@@H](CNCc1ccc(C#N)c(F)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001439257547 1091907260 /nfs/dbraw/zinc/90/72/60/1091907260.db2.gz LYWWJQSLZHUSRF-AWEZNQCLSA-N 1 3 346.450 2.024 10 30 EEEEHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001440353547 1093508748 /nfs/dbraw/zinc/50/87/48/1093508748.db2.gz HJXLCMWPGKXHDA-ZQIUZPCESA-N 1 3 345.890 2.436 10 30 EEEEHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001440353547 1093508754 /nfs/dbraw/zinc/50/87/54/1093508754.db2.gz HJXLCMWPGKXHDA-ZQIUZPCESA-N 1 3 345.890 2.436 10 30 EEEEHO C#CCC[NH2+]Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC001495507051 1101219474 /nfs/dbraw/zinc/21/94/74/1101219474.db2.gz CYKVXNHTROUEMW-CALCHBBNSA-N 1 3 327.472 2.289 10 30 EEEEHO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CCC)C[C@H]21 ZINC001507363534 1115223619 /nfs/dbraw/zinc/22/36/19/1115223619.db2.gz LXTOHTDLCLUUTC-BZUAXINKSA-N 1 3 327.900 2.297 10 30 EEEEHO C=CCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000424633179 467079558 /nfs/dbraw/zinc/07/95/58/467079558.db2.gz VWGPJDZJKKXOMW-UHFFFAOYSA-N 1 3 349.519 2.034 10 30 EEEEHO CC(C)(CNC(=O)[C@@H]([NH3+])CCCCC#N)N1CCc2ccccc2C1 ZINC000594440637 468589130 /nfs/dbraw/zinc/58/91/30/468589130.db2.gz HGBKOJXRUYYJNO-SFHVURJKSA-N 1 3 342.487 2.351 10 30 EEEEHO N#CC1(C[C@@H](O)CNC2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000600731393 468639442 /nfs/dbraw/zinc/63/94/42/468639442.db2.gz WQRHPEMNKKDLLM-GOSISDBHSA-N 1 3 335.492 2.054 10 30 EEEEHO N#CC1(C[C@@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)CCOCC1 ZINC000600731393 468639445 /nfs/dbraw/zinc/63/94/45/468639445.db2.gz WQRHPEMNKKDLLM-GOSISDBHSA-N 1 3 335.492 2.054 10 30 EEEEHO Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC(C[NH+](C)C)CC1 ZINC000739860898 578070452 /nfs/dbraw/zinc/07/04/52/578070452.db2.gz YAOYHPZKEFGQLB-UHFFFAOYSA-N 1 3 338.459 2.356 10 30 EEEEHO C#CCN1CCC2(C[C@@H]2NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001266373843 1176441802 /nfs/dbraw/zinc/44/18/02/1176441802.db2.gz MMIBLPOJYRXGNH-KRWDZBQOSA-N 1 3 331.504 2.243 10 30 EEEEHO C#CCN1CCC2(C[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001266373843 1176441806 /nfs/dbraw/zinc/44/18/06/1176441806.db2.gz MMIBLPOJYRXGNH-KRWDZBQOSA-N 1 3 331.504 2.243 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(CC)cc2)CC1 ZINC001772517039 1176567975 /nfs/dbraw/zinc/56/79/75/1176567975.db2.gz JEUGUZRBCKIGNB-KRWDZBQOSA-N 1 3 341.499 2.189 10 30 EEEEHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC#Cc1ccccc1 ZINC001266960293 1177910668 /nfs/dbraw/zinc/91/06/68/1177910668.db2.gz HNHBSOMZNGQFQM-QGZVFWFLSA-N 1 3 327.472 2.007 10 30 EEEEHO C=CC[NH2+]CCc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC001267098098 1178235305 /nfs/dbraw/zinc/23/53/05/1178235305.db2.gz DOTJTXGYRQSSJG-IRXDYDNUSA-N 1 3 329.488 2.494 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001268630916 1183556441 /nfs/dbraw/zinc/55/64/41/1183556441.db2.gz SMLLBVJYBWPUPS-HMECNJMJSA-N 1 3 340.471 2.195 10 30 EEEEHO C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001270042493 1184808006 /nfs/dbraw/zinc/80/80/06/1184808006.db2.gz QFGSIRNHCWJICF-XSLAGTTESA-N 1 3 337.508 2.079 10 30 EEEEHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCC#Cc3ccccc3)CCCC2)C1 ZINC001270818647 1185419318 /nfs/dbraw/zinc/41/93/18/1185419318.db2.gz ACSQUXASQNBMMM-IBGZPJMESA-N 1 3 339.483 2.008 10 30 EEEEHO C[N@H+]1CC[C@H](C(=O)NCC2(NCC#Cc3ccccc3)CCCC2)C1 ZINC001270818647 1185419321 /nfs/dbraw/zinc/41/93/21/1185419321.db2.gz ACSQUXASQNBMMM-IBGZPJMESA-N 1 3 339.483 2.008 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001483096196 1188470408 /nfs/dbraw/zinc/47/04/08/1188470408.db2.gz AGWMTGVHGFMYJV-JTHGQSKGSA-N 1 3 339.483 2.355 10 30 EEEEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001483097891 1188473339 /nfs/dbraw/zinc/47/33/39/1188473339.db2.gz NIANLDAJLGMSNS-NMBNSIPYSA-N 1 3 340.471 2.193 10 30 EEEEHO C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)CC1CC[NH+](C)CC1 ZINC001483172297 1189023684 /nfs/dbraw/zinc/02/36/84/1189023684.db2.gz LYWWJQSLZHUSRF-CQSZACIVSA-N 1 3 346.450 2.024 10 30 EEEEHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001483793301 1191033095 /nfs/dbraw/zinc/03/30/95/1191033095.db2.gz ANHTYDXJAKUZRW-IYBDPMFKSA-N 1 3 340.471 2.169 10 30 EEEEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1 ZINC001411022311 1198706130 /nfs/dbraw/zinc/70/61/30/1198706130.db2.gz QMGXLUCMQFLKRB-SFHVURJKSA-N 1 3 342.487 2.225 10 30 EEEEHO C=CCC[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@H]1Cc2ccccc2O1 ZINC000883176076 1202026011 /nfs/dbraw/zinc/02/60/11/1202026011.db2.gz VBIXYEYTBARRKO-CMKODMSKSA-N 1 3 330.472 2.371 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CCC(CC)([NH+]3CCC3)CC2)CC1 ZINC000884161958 1202245845 /nfs/dbraw/zinc/24/58/45/1202245845.db2.gz RPFRCDKHOONZOH-UHFFFAOYSA-N 1 3 334.508 2.297 10 30 EEEEHO C#Cc1ccc(NC(=O)CCN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000930576746 1206568272 /nfs/dbraw/zinc/56/82/72/1206568272.db2.gz MRGOSXVAVIRRIE-HXUWFJFHSA-N 1 3 325.456 2.414 10 30 EEEEHO C#Cc1ccc(NC(=O)CCN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000930576746 1206568273 /nfs/dbraw/zinc/56/82/73/1206568273.db2.gz MRGOSXVAVIRRIE-HXUWFJFHSA-N 1 3 325.456 2.414 10 30 EEEEHO C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273823982 1286464064 /nfs/dbraw/zinc/46/40/64/1286464064.db2.gz GHEOLNFOGHIXKA-WOJBJXKFSA-N 1 3 341.499 2.447 10 30 EEEEHO C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273823982 1286464068 /nfs/dbraw/zinc/46/40/68/1286464068.db2.gz GHEOLNFOGHIXKA-WOJBJXKFSA-N 1 3 341.499 2.447 10 30 EEEEHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(CCO[C@H](C)C#N)C2)ccn1 ZINC000856603703 1293579967 /nfs/dbraw/zinc/57/99/67/1293579967.db2.gz DGEWJQRTARTGPV-APWZRJJASA-N 1 3 346.475 2.304 10 30 EEEEHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(CCO[C@H](C)C#N)C2)ccn1 ZINC000856603703 1293579973 /nfs/dbraw/zinc/57/99/73/1293579973.db2.gz DGEWJQRTARTGPV-APWZRJJASA-N 1 3 346.475 2.304 10 30 EEEEHO C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001317157493 1332104332 /nfs/dbraw/zinc/10/43/32/1332104332.db2.gz JBXHWSGPKIFJDH-MAUKXSAKSA-N 1 3 325.472 2.213 10 30 EEEEHO C#CCN1CCC([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001325363433 1333872781 /nfs/dbraw/zinc/87/27/81/1333872781.db2.gz SDKACHGHUMEZIL-HXUWFJFHSA-N 1 3 345.531 2.446 10 30 EEEEHO C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)CCCC[NH+](C)C ZINC001332044914 1335712729 /nfs/dbraw/zinc/71/27/29/1335712729.db2.gz CUJSLJZIPMHCHL-LSDHHAIUSA-N 1 3 348.516 2.431 10 30 EEEEHO CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001570219864 1343035089 /nfs/dbraw/zinc/03/50/89/1343035089.db2.gz IGALVEBRLDZRTN-OALUTQOASA-N 1 3 333.520 2.301 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001570219864 1343035083 /nfs/dbraw/zinc/03/50/83/1343035083.db2.gz IGALVEBRLDZRTN-OALUTQOASA-N 1 3 333.520 2.301 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001661192681 1354602925 /nfs/dbraw/zinc/60/29/25/1354602925.db2.gz IJADVRVLZYOCBZ-LJQANCHMSA-N 1 3 345.462 2.002 10 30 EEEEHO C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCCN1CC)c1ccccc1 ZINC001664599922 1355197915 /nfs/dbraw/zinc/19/79/15/1355197915.db2.gz WHEIXJWBSIHOSP-RBUKOAKNSA-N 1 3 327.472 2.331 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)[C@H](C)C[NH2+]Cc2cccc(F)c2)CC1 ZINC001667059564 1355641193 /nfs/dbraw/zinc/64/11/93/1355641193.db2.gz RWIMNTVKRKOIFY-MRXNPFEDSA-N 1 3 345.462 2.107 10 30 EEEEHO CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001667107774 1355649537 /nfs/dbraw/zinc/64/95/37/1355649537.db2.gz HGGNAGXHVWNODM-QFBILLFUSA-N 1 3 339.499 2.343 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CC2CC(C)(C)C2)C(C)C)CC1 ZINC001667519371 1355753558 /nfs/dbraw/zinc/75/35/58/1355753558.db2.gz DVLVLFCZYSPSTH-IBGZPJMESA-N 1 3 347.547 2.498 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001667771889 1355813047 /nfs/dbraw/zinc/81/30/47/1355813047.db2.gz USHIAQXHJSHUNZ-WOJBJXKFSA-N 1 3 341.499 2.253 10 30 EEEEHO CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC#Cc1ccccc1 ZINC001698622934 1405011742 /nfs/dbraw/zinc/01/17/42/1405011742.db2.gz VMRUGBRHFITINV-FQEVSTJZSA-N 1 3 341.499 2.254 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(Cl)cc1)N(C)C(=O)CC[NH+](C)C ZINC001698845501 1405104823 /nfs/dbraw/zinc/10/48/23/1405104823.db2.gz ZRTXOWLWEYOCGS-HNNXBMFYSA-N 1 3 335.879 2.080 10 30 EEEEHO CN1CCN(c2ccc(C[NH2+]Cc3csc(C#N)c3)cn2)CC1 ZINC000921522880 788836971 /nfs/dbraw/zinc/83/69/71/788836971.db2.gz VKPAWTFOFZVIFL-UHFFFAOYSA-N 1 3 327.457 2.056 10 30 EEEEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001437214484 1089295504 /nfs/dbraw/zinc/29/55/04/1089295504.db2.gz LMWCPMYKFUEAML-PBHICJAKSA-N 1 3 348.516 2.477 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001480596209 1100444817 /nfs/dbraw/zinc/44/48/17/1100444817.db2.gz JHUOCQKGBAFINU-OXQOHEQNSA-N 1 3 339.483 2.113 10 30 EEEEHO CC[C@H](CNC(=O)CCC[NH+]1CCCC1)NCC#Cc1ccccc1 ZINC001495139302 1100809739 /nfs/dbraw/zinc/80/97/39/1100809739.db2.gz NEWKQUJOSOZUTL-HXUWFJFHSA-N 1 3 341.499 2.399 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CCC(C)CC2)CC1 ZINC001498197372 1107063669 /nfs/dbraw/zinc/06/36/69/1107063669.db2.gz LXSUETUNHAYIJB-ADKAHSJRSA-N 1 3 333.520 2.252 10 30 EEEEHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC001505850326 1114232610 /nfs/dbraw/zinc/23/26/10/1114232610.db2.gz RMPZBHZGMMARHH-UHFFFAOYSA-N 1 3 344.503 2.473 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[N@H+](C)CC2=CCCCC2)CC1 ZINC001568506311 1124561440 /nfs/dbraw/zinc/56/14/40/1124561440.db2.gz MMMUEKSSSGLQPJ-UHFFFAOYSA-N 1 3 331.504 2.222 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[N@@H+](C)CC2=CCCCC2)CC1 ZINC001568506311 1124561443 /nfs/dbraw/zinc/56/14/43/1124561443.db2.gz MMMUEKSSSGLQPJ-UHFFFAOYSA-N 1 3 331.504 2.222 10 30 EEEEHO C[C@@H](O)C[C@@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181279 465298943 /nfs/dbraw/zinc/29/89/43/465298943.db2.gz ZDTXFCQTWXLVMX-YRPNKDGESA-N 1 3 336.520 2.241 10 30 EEEEHO C[C@@H](O)C[C@@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181279 465298949 /nfs/dbraw/zinc/29/89/49/465298949.db2.gz ZDTXFCQTWXLVMX-YRPNKDGESA-N 1 3 336.520 2.241 10 30 EEEEHO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC#CCN1CCCC[C@H]1C[C@H](C)O ZINC000342181279 465298956 /nfs/dbraw/zinc/29/89/56/465298956.db2.gz ZDTXFCQTWXLVMX-YRPNKDGESA-N 1 3 336.520 2.241 10 30 EEEEHO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC#CCN1CCCC[C@H]1C[C@H](C)O ZINC000342181279 465298964 /nfs/dbraw/zinc/29/89/64/465298964.db2.gz ZDTXFCQTWXLVMX-YRPNKDGESA-N 1 3 336.520 2.241 10 30 EEEEHO CCc1nc(CNC(=[NH+]C)N2CC[C@H](N3CCCCC3)C2)cs1 ZINC000262792627 688477270 /nfs/dbraw/zinc/47/72/70/688477270.db2.gz OLRHUUHMCAQLGU-HNNXBMFYSA-N 1 3 335.521 2.341 10 30 EEEEHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccc(F)cc2)C1)N(C)C ZINC001485703141 1191906090 /nfs/dbraw/zinc/90/60/90/1191906090.db2.gz QPOYFKZQTFZUSD-BHIYHBOVSA-N 1 3 345.462 2.002 10 30 EEEEHO CC[N@H+](C)CCC(=O)NC[C@H](NCC#Cc1ccc(F)cc1)C(C)C ZINC001268219403 1182031050 /nfs/dbraw/zinc/03/10/50/1182031050.db2.gz ACVBMRHMNDXOJC-IBGZPJMESA-N 1 3 347.478 2.249 10 30 EEEEHO CC[N@@H+](C)CCC(=O)NC[C@H](NCC#Cc1ccc(F)cc1)C(C)C ZINC001268219403 1182031057 /nfs/dbraw/zinc/03/10/57/1182031057.db2.gz ACVBMRHMNDXOJC-IBGZPJMESA-N 1 3 347.478 2.249 10 30 EEEEHO C[NH+](C)CCC(=O)NC1(CNCC#Cc2ccc(F)cc2)CCCC1 ZINC001481904075 1182918070 /nfs/dbraw/zinc/91/80/70/1182918070.db2.gz BXACFBJXLHACAP-UHFFFAOYSA-N 1 3 345.462 2.148 10 30 EEEEHO C#CCC[NH2+]C[C@](C)(NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001481941598 1183000806 /nfs/dbraw/zinc/00/08/06/1183000806.db2.gz VBFPICLTNOXGJG-OALUTQOASA-N 1 3 337.483 2.097 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccc(C#N)s1 ZINC001268549595 1183232203 /nfs/dbraw/zinc/23/22/03/1183232203.db2.gz QSBFCKHUDSQNLP-REMYHPOOSA-N 1 3 346.500 2.256 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccc(C#N)s1 ZINC001268549595 1183232205 /nfs/dbraw/zinc/23/22/05/1183232205.db2.gz QSBFCKHUDSQNLP-REMYHPOOSA-N 1 3 346.500 2.256 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001268712376 1183632611 /nfs/dbraw/zinc/63/26/11/1183632611.db2.gz SNOXZUUIRYFYIL-MAUKXSAKSA-N 1 3 349.906 2.372 10 30 EEEEHO C=C(Cl)C[NH2+]CCC1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001269908244 1184708915 /nfs/dbraw/zinc/70/89/15/1184708915.db2.gz LROHTSLDLPPHDL-CQSZACIVSA-N 1 3 327.900 2.299 10 30 EEEEHO CC#CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCCCCC)CC[C@@H]21 ZINC001482663141 1187506604 /nfs/dbraw/zinc/50/66/04/1187506604.db2.gz OKAZWEXIUQHMGG-OALUTQOASA-N 1 3 333.520 2.445 10 30 EEEEHO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCCCCC)CC[C@@H]21 ZINC001482663141 1187506605 /nfs/dbraw/zinc/50/66/05/1187506605.db2.gz OKAZWEXIUQHMGG-OALUTQOASA-N 1 3 333.520 2.445 10 30 EEEEHO C[NH+](C)CCCC(=O)NC1CC(CNCc2cc(C#N)ccc2F)C1 ZINC001409276519 1188586378 /nfs/dbraw/zinc/58/63/78/1188586378.db2.gz TXIJSHHCMZZXTR-UHFFFAOYSA-N 1 3 346.450 2.024 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001273204494 1197516356 /nfs/dbraw/zinc/51/63/56/1197516356.db2.gz LJUYIGFRAJPBBR-QFBILLFUSA-N 1 3 342.487 2.417 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000876877387 1199803398 /nfs/dbraw/zinc/80/33/98/1199803398.db2.gz UMGRWKDNJCQVFV-OAHLLOKOSA-N 1 3 327.831 2.186 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+]CCC2CCCC2)CC1 ZINC001274610702 1205096921 /nfs/dbraw/zinc/09/69/21/1205096921.db2.gz PVFNQBZFXWXRCU-WAYWQWQTSA-N 1 3 331.504 2.174 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCC[C@H]([N@H+](C)CC=C(C)C)C2)CC1 ZINC001266120094 1323690415 /nfs/dbraw/zinc/69/04/15/1323690415.db2.gz SVNDSNAADDUOBD-IBGZPJMESA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC=C(C)C)C2)CC1 ZINC001266120094 1323690421 /nfs/dbraw/zinc/69/04/21/1323690421.db2.gz SVNDSNAADDUOBD-IBGZPJMESA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001317034996 1332052471 /nfs/dbraw/zinc/05/24/71/1332052471.db2.gz QQTCTVYGWPESNV-HXUWFJFHSA-N 1 3 343.515 2.316 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2CCC=C)CC1 ZINC001317435107 1332238627 /nfs/dbraw/zinc/23/86/27/1332238627.db2.gz PKKHUZRTHQXFMH-IBGZPJMESA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CCC=C)CC1 ZINC001317435107 1332238628 /nfs/dbraw/zinc/23/86/28/1332238628.db2.gz PKKHUZRTHQXFMH-IBGZPJMESA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+](CC=C(C)C)CC1 ZINC001324397940 1333674594 /nfs/dbraw/zinc/67/45/94/1333674594.db2.gz WGBFQEDAHVSQCZ-UHFFFAOYSA-N 1 3 331.504 2.363 10 30 EEEEHO C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001566689853 1342603801 /nfs/dbraw/zinc/60/38/01/1342603801.db2.gz WBESLNYKRONAST-ROUUACIJSA-N 1 3 349.519 2.033 10 30 EEEEHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1ccc(C#N)c(F)c1 ZINC001660502351 1354476399 /nfs/dbraw/zinc/47/63/99/1354476399.db2.gz QPYAOTKUIBADRQ-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1ccc(C#N)c(F)c1 ZINC001660502351 1354476402 /nfs/dbraw/zinc/47/64/02/1354476402.db2.gz QPYAOTKUIBADRQ-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001662424463 1354794895 /nfs/dbraw/zinc/79/48/95/1354794895.db2.gz LCVLQCZJSUUVGV-QGZVFWFLSA-N 1 3 333.520 2.396 10 30 EEEEHO C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001666145015 1355465703 /nfs/dbraw/zinc/46/57/03/1355465703.db2.gz BNLMLDKJNPKQQH-QFBILLFUSA-N 1 3 337.483 2.050 10 30 EEEEHO C[C@@H](CNCC#Cc1cccc(Cl)c1)N(C)C(=O)CC[NH+](C)C ZINC001666982787 1355627093 /nfs/dbraw/zinc/62/70/93/1355627093.db2.gz MLGNJJJKBLGRKQ-HNNXBMFYSA-N 1 3 335.879 2.080 10 30 EEEEHO C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC001672929500 1356617194 /nfs/dbraw/zinc/61/71/94/1356617194.db2.gz KSRKWDSDWRFZBN-KRWDZBQOSA-N 1 3 327.472 2.100 10 30 EEEEHO C#CCC[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@H](C)C1 ZINC001672929500 1356617203 /nfs/dbraw/zinc/61/72/03/1356617203.db2.gz KSRKWDSDWRFZBN-KRWDZBQOSA-N 1 3 327.472 2.100 10 30 EEEEHO C#CCN(C(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC[NH+](C)CC1 ZINC000913859262 794402638 /nfs/dbraw/zinc/40/26/38/794402638.db2.gz OMBIUGDGJTXLBQ-IBGZPJMESA-N 1 3 342.487 2.028 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001439283180 1091941979 /nfs/dbraw/zinc/94/19/79/1091941979.db2.gz CLDFUSHNPHBOHX-BBRMVZONSA-N 1 3 334.489 2.088 10 30 EEEEHO CCCC[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441144608 1094481780 /nfs/dbraw/zinc/48/17/80/1094481780.db2.gz ZQFLXCSCRYTONO-HUUCEWRRSA-N 1 3 348.516 2.336 10 30 EEEEHO CCCC[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441144608 1094481785 /nfs/dbraw/zinc/48/17/85/1094481785.db2.gz ZQFLXCSCRYTONO-HUUCEWRRSA-N 1 3 348.516 2.336 10 30 EEEEHO C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]Cc1cccc(C#N)c1 ZINC001444360904 1098925251 /nfs/dbraw/zinc/92/52/51/1098925251.db2.gz ZAEQGCMCOCRQDY-MRXNPFEDSA-N 1 3 342.487 2.275 10 30 EEEEHO C#CCC[NH2+]Cc1ccc(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC001495507053 1101220450 /nfs/dbraw/zinc/22/04/50/1101220450.db2.gz CYKVXNHTROUEMW-IRXDYDNUSA-N 1 3 327.472 2.289 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC3CCC(C)CC3)CC2)CC1 ZINC001499458683 1112296598 /nfs/dbraw/zinc/29/65/98/1112296598.db2.gz LVLCEDNKZKCPLA-UHFFFAOYSA-N 1 3 345.531 2.396 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@](C)(C[NH2+]CCC(C)C)C2CC2)CC1 ZINC001568033308 1124241306 /nfs/dbraw/zinc/24/13/06/1124241306.db2.gz FUDMYOBLZVQHIT-HXUWFJFHSA-N 1 3 333.520 2.252 10 30 EEEEHO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2c(c1F)CCNC2 ZINC000415956118 239019121 /nfs/dbraw/zinc/01/91/21/239019121.db2.gz NIOAQRHPRHJYCI-UHFFFAOYSA-N 1 3 347.438 2.171 10 30 EEEEHO C[C@H](NC(=O)[C@H](N)CCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594444098 468590372 /nfs/dbraw/zinc/59/03/72/468590372.db2.gz XPJHWPXCNZVXSM-YTQUADARSA-N 1 3 342.487 2.424 10 30 EEEEHO C[C@H](NC(=O)[C@H](N)CCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594444098 468590377 /nfs/dbraw/zinc/59/03/77/468590377.db2.gz XPJHWPXCNZVXSM-YTQUADARSA-N 1 3 342.487 2.424 10 30 EEEEHO C[N@H+](CCCNC[C@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000600717530 468631939 /nfs/dbraw/zinc/63/19/39/468631939.db2.gz MTNYUKZQGMYHEU-GOSISDBHSA-N 1 3 337.508 2.302 10 30 EEEEHO C[N@@H+](CCCNC[C@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000600717530 468631940 /nfs/dbraw/zinc/63/19/40/468631940.db2.gz MTNYUKZQGMYHEU-GOSISDBHSA-N 1 3 337.508 2.302 10 30 EEEEHO COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1C#N ZINC000593323264 468938709 /nfs/dbraw/zinc/93/87/09/468938709.db2.gz SAAHAUORJUEMTD-LMMKCTJWSA-N 1 3 329.444 2.428 10 30 EEEEHO C=CC[C@]1(C(=O)NCC2CCN(c3ccncc3)CC2)CCC[NH2+]1 ZINC000662792462 472253884 /nfs/dbraw/zinc/25/38/84/472253884.db2.gz BFABMCXWGDSDCQ-LJQANCHMSA-N 1 3 328.460 2.113 10 30 EEEEHO C[NH+](C)C1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000749513929 577977586 /nfs/dbraw/zinc/97/75/86/577977586.db2.gz HCDMFONKPCTDPC-AWEZNQCLSA-N 1 3 342.468 2.499 10 30 EEEEHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1)N(C)C ZINC001266693321 1177215146 /nfs/dbraw/zinc/21/51/46/1177215146.db2.gz VRRMIFMKLSZLOF-SOLBZPMBSA-N 1 3 347.890 2.269 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266949440 1177873959 /nfs/dbraw/zinc/87/39/59/1177873959.db2.gz OTFVNEZNGOKBTF-AZUAARDMSA-N 1 3 341.499 2.253 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266949440 1177873969 /nfs/dbraw/zinc/87/39/69/1177873969.db2.gz OTFVNEZNGOKBTF-AZUAARDMSA-N 1 3 341.499 2.253 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H](C)CC)CC2)CC1 ZINC001267932604 1180783505 /nfs/dbraw/zinc/78/35/05/1180783505.db2.gz WIPGKVKFGLGGDX-BHIYHBOVSA-N 1 3 333.520 2.395 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+]Cc2ccccc2C)CC1 ZINC001268630124 1183555016 /nfs/dbraw/zinc/55/50/16/1183555016.db2.gz FXEZTDZMYVXNCT-SREVYHEPSA-N 1 3 339.483 2.102 10 30 EEEEHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001482552274 1186668667 /nfs/dbraw/zinc/66/86/67/1186668667.db2.gz CMHGZSREODYAOK-ICSRJNTNSA-N 1 3 341.499 2.110 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001483914825 1191114924 /nfs/dbraw/zinc/11/49/24/1191114924.db2.gz RMTCKNHEJVQHDS-VQIMIIECSA-N 1 3 342.487 2.368 10 30 EEEEHO C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001484688126 1191471434 /nfs/dbraw/zinc/47/14/34/1191471434.db2.gz GRFZPFUOOFKGTG-IRXDYDNUSA-N 1 3 337.508 2.033 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001275570277 1205421194 /nfs/dbraw/zinc/42/11/94/1205421194.db2.gz FAMTYTWSQFZCTD-QZTJIDSGSA-N 1 3 341.499 2.057 10 30 EEEEHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCC#Cc1ccc(Cl)cc1 ZINC001277921482 1305109182 /nfs/dbraw/zinc/10/91/82/1305109182.db2.gz GWJZYUGJRSQZRF-OAHLLOKOSA-N 1 3 335.879 2.080 10 30 EEEEHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C(F)(F)F ZINC001264594586 1322745298 /nfs/dbraw/zinc/74/52/98/1322745298.db2.gz NAUVGYUYEHFETH-OCCSQVGLSA-N 1 3 344.381 2.145 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCCC2CCCC2)CC1 ZINC001265869806 1323443419 /nfs/dbraw/zinc/44/34/19/1323443419.db2.gz CFZACOUNOVNMSV-QGZVFWFLSA-N 1 3 333.520 2.396 10 30 EEEEHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1ccc(C#N)s1 ZINC001266070412 1323626435 /nfs/dbraw/zinc/62/64/35/1323626435.db2.gz SMBLEQMJNJBVIR-MRXNPFEDSA-N 1 3 334.489 2.042 10 30 EEEEHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1ccc(C#N)s1 ZINC001266070412 1323626439 /nfs/dbraw/zinc/62/64/39/1323626439.db2.gz SMBLEQMJNJBVIR-MRXNPFEDSA-N 1 3 334.489 2.042 10 30 EEEEHO CC#CCN1CC([C@@H](C)NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001282739183 1325776569 /nfs/dbraw/zinc/77/65/69/1325776569.db2.gz SMVFIOIVJCJGLS-APWZRJJASA-N 1 3 327.472 2.139 10 30 EEEEHO CC#CCN1CC([C@@H](C)NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001282739183 1325776572 /nfs/dbraw/zinc/77/65/72/1325776572.db2.gz SMVFIOIVJCJGLS-APWZRJJASA-N 1 3 327.472 2.139 10 30 EEEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001491834645 1330268641 /nfs/dbraw/zinc/26/86/41/1330268641.db2.gz KUFGEQGULBNJJF-YJBOKZPZSA-N 1 3 325.472 2.213 10 30 EEEEHO CC#CCN1CCC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317138203 1332095433 /nfs/dbraw/zinc/09/54/33/1332095433.db2.gz MMHANMMJCGVMQV-GOSISDBHSA-N 1 3 333.520 2.493 10 30 EEEEHO CC#CCN1CCC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317138203 1332095434 /nfs/dbraw/zinc/09/54/34/1332095434.db2.gz MMHANMMJCGVMQV-GOSISDBHSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2CCC=C)CC1 ZINC001317435111 1332238607 /nfs/dbraw/zinc/23/86/07/1332238607.db2.gz PKKHUZRTHQXFMH-LJQANCHMSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCC=C)CC1 ZINC001317435111 1332238608 /nfs/dbraw/zinc/23/86/08/1332238608.db2.gz PKKHUZRTHQXFMH-LJQANCHMSA-N 1 3 331.504 2.269 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001351862215 1337857894 /nfs/dbraw/zinc/85/78/94/1337857894.db2.gz UIUXWIWHSSVQFF-IXDOHACOSA-N 1 3 346.523 2.192 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001351862215 1337857900 /nfs/dbraw/zinc/85/79/00/1337857900.db2.gz UIUXWIWHSSVQFF-IXDOHACOSA-N 1 3 346.523 2.192 10 30 EEEEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001567059492 1342689046 /nfs/dbraw/zinc/68/90/46/1342689046.db2.gz OQCBTOUWWIZUQE-AZUAARDMSA-N 1 3 341.499 2.395 10 30 EEEEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001567059492 1342689048 /nfs/dbraw/zinc/68/90/48/1342689048.db2.gz OQCBTOUWWIZUQE-AZUAARDMSA-N 1 3 341.499 2.395 10 30 EEEEHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001569621794 1342910632 /nfs/dbraw/zinc/91/06/32/1342910632.db2.gz ITMBNCDMXMHRQU-UYAOXDASSA-N 1 3 333.520 2.445 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2ccccc2)CC1 ZINC001668320444 1355923327 /nfs/dbraw/zinc/92/33/27/1355923327.db2.gz RFKVPPKFVWWQMA-KRWDZBQOSA-N 1 3 327.472 2.016 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001669930537 1356242584 /nfs/dbraw/zinc/24/25/84/1356242584.db2.gz OJLLFVBKZLFVEP-MSOLQXFVSA-N 1 3 335.536 2.450 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001669930537 1356242587 /nfs/dbraw/zinc/24/25/87/1356242587.db2.gz OJLLFVBKZLFVEP-MSOLQXFVSA-N 1 3 335.536 2.450 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H](C)CCC[NH2+]CC#Cc1ccccc1)N(C)C ZINC001675916186 1357069465 /nfs/dbraw/zinc/06/94/65/1357069465.db2.gz TUNTZKLDKHAFPF-QUCCMNQESA-N 1 3 343.515 2.499 10 30 EEEEHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC#Cc1ccc(F)cc1 ZINC001698621855 1405012811 /nfs/dbraw/zinc/01/28/11/1405012811.db2.gz ZGGFRDFSSFSEOF-PKOBYXMFSA-N 1 3 345.462 2.003 10 30 EEEEHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC#Cc1ccc(F)cc1 ZINC001698621855 1405012822 /nfs/dbraw/zinc/01/28/22/1405012822.db2.gz ZGGFRDFSSFSEOF-PKOBYXMFSA-N 1 3 345.462 2.003 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001438707669 1091221187 /nfs/dbraw/zinc/22/11/87/1091221187.db2.gz WHKWKPBNOPQMMY-RDTXWAMCSA-N 1 3 348.466 2.220 10 30 EEEEHO CC(C)N(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001480305467 1100024886 /nfs/dbraw/zinc/02/48/86/1100024886.db2.gz CVFZHCASZCQNRV-LJQANCHMSA-N 1 3 342.487 2.227 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001448031940 1103842387 /nfs/dbraw/zinc/84/23/87/1103842387.db2.gz FMYYVQOQAZDGED-QFBILLFUSA-N 1 3 342.487 2.369 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001448031940 1103842404 /nfs/dbraw/zinc/84/24/04/1103842404.db2.gz FMYYVQOQAZDGED-QFBILLFUSA-N 1 3 342.487 2.369 10 30 EEEEHO C[NH+](C)CCCCC(=O)N1CC[C@@H](CNCc2ccccc2C#N)C1 ZINC001480676174 1106862250 /nfs/dbraw/zinc/86/22/50/1106862250.db2.gz LBPMAEIXNCAQLQ-KRWDZBQOSA-N 1 3 342.487 2.228 10 30 EEEEHO C=C(C)CC[NH2+]C1(CNC(=O)CN(C)CC(C)(C)C)CCOCC1 ZINC001500586799 1112958364 /nfs/dbraw/zinc/95/83/64/1112958364.db2.gz KLQDTZDBTQWXBR-UHFFFAOYSA-N 1 3 339.524 2.186 10 30 EEEEHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001501722799 1113449809 /nfs/dbraw/zinc/44/98/09/1113449809.db2.gz IEIOUPHFLAHTLC-RUCARUNLSA-N 1 3 327.472 2.260 10 30 EEEEHO C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001506924081 1114977267 /nfs/dbraw/zinc/97/72/67/1114977267.db2.gz LOKPRPLWLAYZOJ-GOSISDBHSA-N 1 3 341.499 2.397 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+]CC2=CCCCC2)CC1 ZINC001568968711 1125005921 /nfs/dbraw/zinc/00/59/21/1125005921.db2.gz ADSDWWIDHMFXEF-SREVYHEPSA-N 1 3 329.488 2.094 10 30 EEEEHO C[C@@H](O)C[C@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181265 465299235 /nfs/dbraw/zinc/29/92/35/465299235.db2.gz ZDTXFCQTWXLVMX-FGYAAKKASA-N 1 3 336.520 2.241 10 30 EEEEHO C[C@@H](O)C[C@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181265 465299239 /nfs/dbraw/zinc/29/92/39/465299239.db2.gz ZDTXFCQTWXLVMX-FGYAAKKASA-N 1 3 336.520 2.241 10 30 EEEEHO C[C@@H](O)C[C@H]1CCCC[N@H+]1CC#CCN1CCCC[C@H]1C[C@H](C)O ZINC000342181265 465299241 /nfs/dbraw/zinc/29/92/41/465299241.db2.gz ZDTXFCQTWXLVMX-FGYAAKKASA-N 1 3 336.520 2.241 10 30 EEEEHO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC#CCN1CCCC[C@H]1C[C@H](C)O ZINC000342181265 465299244 /nfs/dbraw/zinc/29/92/44/465299244.db2.gz ZDTXFCQTWXLVMX-FGYAAKKASA-N 1 3 336.520 2.241 10 30 EEEEHO C[C@@]1(NCC#CC[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)CCO[C@H]1C1CC1 ZINC000367465507 466356390 /nfs/dbraw/zinc/35/63/90/466356390.db2.gz ZXJNNQHQKMSYCN-JVSBHGNQSA-N 1 3 332.488 2.084 10 30 EEEEHO C[C@@]1([NH2+]CC#CCN[C@@]2(C)CCO[C@@H]2C2CC2)CCO[C@H]1C1CC1 ZINC000367465507 466356400 /nfs/dbraw/zinc/35/64/00/466356400.db2.gz ZXJNNQHQKMSYCN-JVSBHGNQSA-N 1 3 332.488 2.084 10 30 EEEEHO CCc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)N(C)C)cc1 ZINC000594446449 468592932 /nfs/dbraw/zinc/59/29/32/468592932.db2.gz TVTMWTQTPAHWGX-QZTJIDSGSA-N 1 3 330.476 2.379 10 30 EEEEHO CN(C)CCN1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594914379 468721777 /nfs/dbraw/zinc/72/17/77/468721777.db2.gz HGTNFSUCTDLEFF-UHFFFAOYSA-N 1 3 326.488 2.357 10 30 EEEEHO N#Cc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000594974184 468735859 /nfs/dbraw/zinc/73/58/59/468735859.db2.gz HGGCZBFUQDZUKP-MRXNPFEDSA-N 1 3 327.453 2.476 10 30 EEEEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000601967129 469116527 /nfs/dbraw/zinc/11/65/27/469116527.db2.gz IAFBTTSRVVQPOV-QRQLOZEOSA-N 1 3 327.472 2.399 10 30 EEEEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)CC1(C#N)CC1 ZINC000601967129 469116535 /nfs/dbraw/zinc/11/65/35/469116535.db2.gz IAFBTTSRVVQPOV-QRQLOZEOSA-N 1 3 327.472 2.399 10 30 EEEEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)CC1(C#N)CC1 ZINC000601967129 469116542 /nfs/dbraw/zinc/11/65/42/469116542.db2.gz IAFBTTSRVVQPOV-QRQLOZEOSA-N 1 3 327.472 2.399 10 30 EEEEHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(CC)[C@@H]1CCN(C)C1)C(C)C ZINC000663669284 471466127 /nfs/dbraw/zinc/46/61/27/471466127.db2.gz WFFLKXBIBFNMEC-MSOLQXFVSA-N 1 3 336.524 2.421 10 30 EEEEHO C=CC[C@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662658103 472190030 /nfs/dbraw/zinc/19/00/30/472190030.db2.gz BFMXFGNWBZRJQZ-HXUWFJFHSA-N 1 3 327.472 2.466 10 30 EEEEHO C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001485650442 1191870278 /nfs/dbraw/zinc/87/02/78/1191870278.db2.gz MDYQXGWYUUORNW-VQIMIIECSA-N 1 3 345.487 2.143 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001268115839 1181761209 /nfs/dbraw/zinc/76/12/09/1181761209.db2.gz YVTWMVDPIWDEAO-SFHVURJKSA-N 1 3 329.488 2.207 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001268115839 1181761213 /nfs/dbraw/zinc/76/12/13/1181761213.db2.gz YVTWMVDPIWDEAO-SFHVURJKSA-N 1 3 329.488 2.207 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001268413989 1182566025 /nfs/dbraw/zinc/56/60/25/1182566025.db2.gz PLOGLFIHPCXJAP-QAPCUYQASA-N 1 3 330.476 2.129 10 30 EEEEHO CC[C@H](C(=O)NC1CC(C[NH2+]Cc2cc(C#N)ccc2F)C1)N(C)C ZINC001409269997 1188449598 /nfs/dbraw/zinc/44/95/98/1188449598.db2.gz DLARLBXYKNONIM-JFUPDXTOSA-N 1 3 346.450 2.022 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCc2ccccc2)CC1 ZINC001483422378 1190469458 /nfs/dbraw/zinc/46/94/58/1190469458.db2.gz WMMKIKDCFURXEC-SFHVURJKSA-N 1 3 341.499 2.011 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001483422378 1190469460 /nfs/dbraw/zinc/46/94/60/1190469460.db2.gz WMMKIKDCFURXEC-SFHVURJKSA-N 1 3 341.499 2.011 10 30 EEEEHO C=C(C)C[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C(F)(F)F ZINC001279180469 1198405392 /nfs/dbraw/zinc/40/53/92/1198405392.db2.gz DVILDYUTCMYQRP-KBPBESRZSA-N 1 3 335.414 2.273 10 30 EEEEHO C=C(Br)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001410949454 1198615197 /nfs/dbraw/zinc/61/51/97/1198615197.db2.gz FXOQPXGUIKDSNR-KGLIPLIRSA-N 1 3 346.313 2.110 10 30 EEEEHO CN(Cc1cccc(C#N)c1)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001489339621 1290524469 /nfs/dbraw/zinc/52/44/69/1290524469.db2.gz QUKYATNFLGLIOG-IBGZPJMESA-N 1 3 342.487 2.323 10 30 EEEEHO C#CCN1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001277294272 1302231191 /nfs/dbraw/zinc/23/11/91/1302231191.db2.gz JNZXNRIZIUNGSY-RBUKOAKNSA-N 1 3 331.504 2.199 10 30 EEEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C(F)(F)F ZINC001278702627 1317793860 /nfs/dbraw/zinc/79/38/60/1317793860.db2.gz AUESPYUASVJFAO-KBPBESRZSA-N 1 3 335.414 2.131 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001262970679 1322410535 /nfs/dbraw/zinc/41/05/35/1322410535.db2.gz PLEMRSMANAXJFX-DLBZAZTESA-N 1 3 346.523 2.194 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC001262970679 1322410540 /nfs/dbraw/zinc/41/05/40/1322410540.db2.gz PLEMRSMANAXJFX-DLBZAZTESA-N 1 3 346.523 2.194 10 30 EEEEHO C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001264126385 1322635615 /nfs/dbraw/zinc/63/56/15/1322635615.db2.gz UKCJGQHSABJLEV-ZWKOTPCHSA-N 1 3 339.524 2.136 10 30 EEEEHO C=CC[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001265176499 1322968081 /nfs/dbraw/zinc/96/80/81/1322968081.db2.gz ZKLHGVWWOJCQQW-SFHVURJKSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CC[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001265176499 1322968082 /nfs/dbraw/zinc/96/80/82/1322968082.db2.gz ZKLHGVWWOJCQQW-SFHVURJKSA-N 1 3 325.472 2.356 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC=C(C)C)C2CC2)CC1 ZINC001265183919 1322974294 /nfs/dbraw/zinc/97/42/94/1322974294.db2.gz KJGJCMQIBNHLTP-UHFFFAOYSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@H+](CC=C(C)C)C2CC2)CC1 ZINC001265183919 1322974295 /nfs/dbraw/zinc/97/42/95/1322974295.db2.gz KJGJCMQIBNHLTP-UHFFFAOYSA-N 1 3 331.504 2.269 10 30 EEEEHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001265407136 1323135553 /nfs/dbraw/zinc/13/55/53/1323135553.db2.gz RDEIBAFQOZYJRT-OQIJWPOYSA-N 1 3 331.504 2.358 10 30 EEEEHO C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001281073085 1324753581 /nfs/dbraw/zinc/75/35/81/1324753581.db2.gz UMRDHSYELZJQJG-FXAWDEMLSA-N 1 3 341.499 2.447 10 30 EEEEHO C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001281073085 1324753587 /nfs/dbraw/zinc/75/35/87/1324753587.db2.gz UMRDHSYELZJQJG-FXAWDEMLSA-N 1 3 341.499 2.447 10 30 EEEEHO C#CC[NH2+][C@H](CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001282567154 1325742017 /nfs/dbraw/zinc/74/20/17/1325742017.db2.gz GYBNHISTUUTLOE-VQIMIIECSA-N 1 3 339.499 2.295 10 30 EEEEHO C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]21 ZINC001284095205 1326404218 /nfs/dbraw/zinc/40/42/18/1326404218.db2.gz DQRYCSPQQMLUGW-FGTMMUONSA-N 1 3 333.520 2.204 10 30 EEEEHO CCN(CC#Cc1ccccc1)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001316899644 1331964961 /nfs/dbraw/zinc/96/49/61/1331964961.db2.gz RITJXCJQKZUFBK-UHFFFAOYSA-N 1 3 341.499 2.208 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCC(=C)C)CC1 ZINC001320185692 1332845252 /nfs/dbraw/zinc/84/52/52/1332845252.db2.gz RVGAFLOSIAOGLT-MOPGFXCFSA-N 1 3 331.504 2.172 10 30 EEEEHO C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001325901863 1333990916 /nfs/dbraw/zinc/99/09/16/1333990916.db2.gz ZIONYXGGSQCVKK-MOPGFXCFSA-N 1 3 331.504 2.340 10 30 EEEEHO C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001325901863 1333990918 /nfs/dbraw/zinc/99/09/18/1333990918.db2.gz ZIONYXGGSQCVKK-MOPGFXCFSA-N 1 3 331.504 2.340 10 30 EEEEHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001342254705 1337311928 /nfs/dbraw/zinc/31/19/28/1337311928.db2.gz YQJXXCWXGWEFMV-MRXNPFEDSA-N 1 3 346.523 2.240 10 30 EEEEHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001567059495 1342689063 /nfs/dbraw/zinc/68/90/63/1342689063.db2.gz OQCBTOUWWIZUQE-UYAOXDASSA-N 1 3 341.499 2.395 10 30 EEEEHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001567059495 1342689064 /nfs/dbraw/zinc/68/90/64/1342689064.db2.gz OQCBTOUWWIZUQE-UYAOXDASSA-N 1 3 341.499 2.395 10 30 EEEEHO C=CCOCCN1CC=C(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001677621445 1357375372 /nfs/dbraw/zinc/37/53/72/1357375372.db2.gz QNCZFDAQEOUUIP-RBUKOAKNSA-N 1 3 349.519 2.058 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001661690886 1354673203 /nfs/dbraw/zinc/67/32/03/1354673203.db2.gz XAGFYHKANBQAFV-CALCHBBNSA-N 1 3 347.890 2.269 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001664309166 1355135354 /nfs/dbraw/zinc/13/53/54/1355135354.db2.gz HXCYFYCPZSSBEP-MOPGFXCFSA-N 1 3 342.487 2.227 10 30 EEEEHO C=CCN1CCC(NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000917137077 798112533 /nfs/dbraw/zinc/11/25/33/798112533.db2.gz KSFRWNVHKDXEMZ-GOSISDBHSA-N 1 3 345.491 2.024 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)cc1F ZINC001440268334 1093380678 /nfs/dbraw/zinc/38/06/78/1093380678.db2.gz YGWXERLIDQWWSE-QGZVFWFLSA-N 1 3 346.450 2.120 10 30 EEEEHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001440353534 1093508734 /nfs/dbraw/zinc/50/87/34/1093508734.db2.gz HJXLCMWPGKXHDA-CKEIUWERSA-N 1 3 345.890 2.436 10 30 EEEEHO C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001440353534 1093508738 /nfs/dbraw/zinc/50/87/38/1093508738.db2.gz HJXLCMWPGKXHDA-CKEIUWERSA-N 1 3 345.890 2.436 10 30 EEEEHO CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)[C@H]21 ZINC001479613834 1098637339 /nfs/dbraw/zinc/63/73/39/1098637339.db2.gz OHZOUBVHQRWMFI-QRQLOZEOSA-N 1 3 333.520 2.347 10 30 EEEEHO CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001479613834 1098637345 /nfs/dbraw/zinc/63/73/45/1098637345.db2.gz OHZOUBVHQRWMFI-QRQLOZEOSA-N 1 3 333.520 2.347 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001444797742 1099712134 /nfs/dbraw/zinc/71/21/34/1099712134.db2.gz WQXPRVXQZBLNMU-APWZRJJASA-N 1 3 342.487 2.225 10 30 EEEEHO CN(C)C1(C(=O)NC2CC(C[NH2+]Cc3cccc(C#N)c3)C2)CCC1 ZINC001447795736 1103354528 /nfs/dbraw/zinc/35/45/28/1103354528.db2.gz ARDYERHORJXCDR-UHFFFAOYSA-N 1 3 340.471 2.027 10 30 EEEEHO C#CCN(C(=O)[C@@H]1CCCN1C(C)C)C1CC[NH+](CC(C)C)CC1 ZINC001500038122 1112587859 /nfs/dbraw/zinc/58/78/59/1112587859.db2.gz VGVDGAFFFHKZOW-IBGZPJMESA-N 1 3 333.520 2.441 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCCC)C3)CC1 ZINC001501012946 1113166509 /nfs/dbraw/zinc/16/65/09/1113166509.db2.gz FQDWODLEDGMYCQ-SXLOBPIMSA-N 1 3 345.531 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCCC)C3)CC1 ZINC001501012946 1113166512 /nfs/dbraw/zinc/16/65/12/1113166512.db2.gz FQDWODLEDGMYCQ-SXLOBPIMSA-N 1 3 345.531 2.491 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501651408 1113415960 /nfs/dbraw/zinc/41/59/60/1113415960.db2.gz OOWCTFRQBVBYQV-LJQANCHMSA-N 1 3 342.487 2.227 10 30 EEEEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C ZINC001568646130 1124658610 /nfs/dbraw/zinc/65/86/10/1124658610.db2.gz NHVVLLPMNGYISI-SUMWQHHRSA-N 1 3 334.439 2.022 10 30 EEEEHO CN(C)CCC[N@H+](C)CCNc1cccc(-n2cccn2)c1C#N ZINC000596425816 469262691 /nfs/dbraw/zinc/26/26/91/469262691.db2.gz WCKFRWCRHRPKST-UHFFFAOYSA-N 1 3 326.448 2.039 10 30 EEEEHO CN(C)CCC[N@@H+](C)CCNc1cccc(-n2cccn2)c1C#N ZINC000596425816 469262695 /nfs/dbraw/zinc/26/26/95/469262695.db2.gz WCKFRWCRHRPKST-UHFFFAOYSA-N 1 3 326.448 2.039 10 30 EEEEHO CC[NH+]=C(NCCN(C)C1CCCCC1)N1CC[C@]2(CCOC2)C1 ZINC000261935906 682427157 /nfs/dbraw/zinc/42/71/57/682427157.db2.gz CKQTUUSIGCKJPP-IBGZPJMESA-N 1 3 336.524 2.329 10 30 EEEEHO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001691251354 1177772114 /nfs/dbraw/zinc/77/21/14/1177772114.db2.gz VBPONUHZKFSLFJ-DAYGRLMNSA-N 1 3 325.472 2.259 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]Cc2ccsc2)C(C)C)CC1 ZINC001268228787 1182044271 /nfs/dbraw/zinc/04/42/71/1182044271.db2.gz XIWVVGJEUQINLK-SFHVURJKSA-N 1 3 347.528 2.324 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001268649863 1183578023 /nfs/dbraw/zinc/57/80/23/1183578023.db2.gz SNOXZUUIRYFYIL-QAPCUYQASA-N 1 3 349.906 2.372 10 30 EEEEHO CN(CC(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001268848138 1183764312 /nfs/dbraw/zinc/76/43/12/1183764312.db2.gz RMLHVSCGKFWVQL-UHFFFAOYSA-N 1 3 344.503 2.474 10 30 EEEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCC=C)CC1 ZINC001270364423 1185048768 /nfs/dbraw/zinc/04/87/68/1185048768.db2.gz PAQHLNKOWXDZNI-HDICACEKSA-N 1 3 331.504 2.362 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C)CC1 ZINC001271939062 1186650773 /nfs/dbraw/zinc/65/07/73/1186650773.db2.gz BZDFKULUIJYVNH-GOSISDBHSA-N 1 3 335.536 2.498 10 30 EEEEHO C#CCC[NH2+]C1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001484923385 1191576641 /nfs/dbraw/zinc/57/66/41/1191576641.db2.gz NSFQMCMIOFUHBE-LJQANCHMSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCN1CCC(C(=O)NC2CC(C[NH2+]CCCC3CCC3)C2)CC1 ZINC001485110452 1191657600 /nfs/dbraw/zinc/65/76/00/1191657600.db2.gz JALNWCYTIYVIBH-UHFFFAOYSA-N 1 3 345.531 2.396 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000876741337 1199750802 /nfs/dbraw/zinc/75/08/02/1199750802.db2.gz QMUWJAXZAMDKPY-SJORKVTESA-N 1 3 335.879 2.137 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000876741337 1199750804 /nfs/dbraw/zinc/75/08/04/1199750804.db2.gz QMUWJAXZAMDKPY-SJORKVTESA-N 1 3 335.879 2.137 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001491080495 1258646647 /nfs/dbraw/zinc/64/66/47/1258646647.db2.gz OMHSIHCZCZLWOL-ZCNNSNEGSA-N 1 3 339.483 2.149 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCCC)C2)CC1 ZINC001490578989 1291473931 /nfs/dbraw/zinc/47/39/31/1291473931.db2.gz AIJZFNRIQOIFEG-IBGZPJMESA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCCC)C2)CC1 ZINC001490578989 1291473933 /nfs/dbraw/zinc/47/39/33/1291473933.db2.gz AIJZFNRIQOIFEG-IBGZPJMESA-N 1 3 333.520 2.493 10 30 EEEEHO Cc1ccc([C@H](CNC(=O)C#CC2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000852863930 1292219623 /nfs/dbraw/zinc/21/96/23/1292219623.db2.gz UGPWTYOXHDCYLD-FQEVSTJZSA-N 1 3 339.483 2.251 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CCC[NH2+]Cc2ccccc2F)CC1 ZINC001276399713 1314742327 /nfs/dbraw/zinc/74/23/27/1314742327.db2.gz PMGBTTJHHITBSP-UHFFFAOYSA-N 1 3 345.462 2.109 10 30 EEEEHO C=CCC[C@@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001282773593 1325781943 /nfs/dbraw/zinc/78/19/43/1325781943.db2.gz STEVFMXTBZNCCX-XLIONFOSSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCC[C@@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001282773593 1325781945 /nfs/dbraw/zinc/78/19/45/1325781945.db2.gz STEVFMXTBZNCCX-XLIONFOSSA-N 1 3 349.519 2.129 10 30 EEEEHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001316660356 1329897309 /nfs/dbraw/zinc/89/73/09/1329897309.db2.gz MYHIWIWPWRJENF-FCEWJHQRSA-N 1 3 337.483 2.097 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001491682534 1330204331 /nfs/dbraw/zinc/20/43/31/1330204331.db2.gz MRVGVQSEFXEAQR-CZUORRHYSA-N 1 3 334.489 2.088 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001321948215 1333184835 /nfs/dbraw/zinc/18/48/35/1333184835.db2.gz YPGPNMDDDBYASW-KRWDZBQOSA-N 1 3 327.472 2.007 10 30 EEEEHO C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001330916772 1334926457 /nfs/dbraw/zinc/92/64/57/1334926457.db2.gz OHPDSXBNOWROJW-YJBOKZPZSA-N 1 3 325.472 2.097 10 30 EEEEHO C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001668214027 1355900963 /nfs/dbraw/zinc/90/09/63/1355900963.db2.gz HOKMSDPXIZKMHY-IAGOWNOFSA-N 1 3 345.462 2.003 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+](CCCCCC)C2)CC1 ZINC001570863291 1343125332 /nfs/dbraw/zinc/12/53/32/1343125332.db2.gz BRNPIEFFCRXDHG-QGZVFWFLSA-N 1 3 333.520 2.348 10 30 EEEEHO CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001649462168 1353518716 /nfs/dbraw/zinc/51/87/16/1353518716.db2.gz JDGPXMHPRVOWER-MOPGFXCFSA-N 1 3 333.520 2.302 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001649462168 1353518719 /nfs/dbraw/zinc/51/87/19/1353518719.db2.gz JDGPXMHPRVOWER-MOPGFXCFSA-N 1 3 333.520 2.302 10 30 EEEEHO C=CCC[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC001673209694 1354183550 /nfs/dbraw/zinc/18/35/50/1354183550.db2.gz FSUBHQSUGBHZKP-SFHVURJKSA-N 1 3 325.472 2.404 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001664008638 1355072982 /nfs/dbraw/zinc/07/29/82/1355072982.db2.gz KSMVRRHFIGGBIN-RBUKOAKNSA-N 1 3 340.471 2.123 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001664008638 1355072988 /nfs/dbraw/zinc/07/29/88/1355072988.db2.gz KSMVRRHFIGGBIN-RBUKOAKNSA-N 1 3 340.471 2.123 10 30 EEEEHO C#CCN1CCC(C(=O)NCc2ccc(C[NH2+]CCC=C)cc2)CC1 ZINC001666347224 1355514765 /nfs/dbraw/zinc/51/47/65/1355514765.db2.gz GRMDOBXHEWDHMW-UHFFFAOYSA-N 1 3 339.483 2.314 10 30 EEEEHO C[C@@H](CCNCc1ccccc1C#N)NC(=O)C12CCC[NH+]1CCC2 ZINC001668121859 1355877175 /nfs/dbraw/zinc/87/71/75/1355877175.db2.gz CKUXLUAFQKDKRW-INIZCTEOSA-N 1 3 340.471 2.171 10 30 EEEEHO CN(CC(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001669039026 1356073823 /nfs/dbraw/zinc/07/38/23/1356073823.db2.gz ISNKINMSAIZGLR-AATRIKPKSA-N 1 3 342.487 2.298 10 30 EEEEHO CC(C)N(C)CC(=O)NC1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001441739374 1095728836 /nfs/dbraw/zinc/72/88/36/1095728836.db2.gz GMNLWULCXJRCJN-UHFFFAOYSA-N 1 3 348.516 2.477 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001441849669 1095935068 /nfs/dbraw/zinc/93/50/68/1095935068.db2.gz MYJHQASNUFWBCQ-CJNGLKHVSA-N 1 3 334.489 2.087 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001441849669 1095935074 /nfs/dbraw/zinc/93/50/74/1095935074.db2.gz MYJHQASNUFWBCQ-CJNGLKHVSA-N 1 3 334.489 2.087 10 30 EEEEHO CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)[C@@H]21 ZINC001479613831 1098635945 /nfs/dbraw/zinc/63/59/45/1098635945.db2.gz OHZOUBVHQRWMFI-BHIYHBOVSA-N 1 3 333.520 2.347 10 30 EEEEHO CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@@H]21 ZINC001479613831 1098635949 /nfs/dbraw/zinc/63/59/49/1098635949.db2.gz OHZOUBVHQRWMFI-BHIYHBOVSA-N 1 3 333.520 2.347 10 30 EEEEHO C#CC[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCCCC1 ZINC001506534936 1114680951 /nfs/dbraw/zinc/68/09/51/1114680951.db2.gz ZODWVUAILMJDSP-UHFFFAOYSA-N 1 3 327.472 2.404 10 30 EEEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001507011415 1115053065 /nfs/dbraw/zinc/05/30/65/1115053065.db2.gz DDYZEGCTCHYQPB-CVEARBPZSA-N 1 3 327.900 2.438 10 30 EEEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001507011415 1115053068 /nfs/dbraw/zinc/05/30/68/1115053068.db2.gz DDYZEGCTCHYQPB-CVEARBPZSA-N 1 3 327.900 2.438 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001568969602 1125006933 /nfs/dbraw/zinc/00/69/33/1125006933.db2.gz MWULCKRXEBHKCL-ONEGZZNKSA-N 1 3 343.515 2.174 10 30 EEEEHO CCN1CC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181527077 464502400 /nfs/dbraw/zinc/50/24/00/464502400.db2.gz GDIUJYMXQXAVSA-LJQANCHMSA-N 1 3 326.488 2.454 10 30 EEEEHO CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594435417 468586086 /nfs/dbraw/zinc/58/60/86/468586086.db2.gz DVQVIVVECNYHKK-QZTJIDSGSA-N 1 3 328.460 2.131 10 30 EEEEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715772 468630832 /nfs/dbraw/zinc/63/08/32/468630832.db2.gz ILHCJBGXIWKZPK-FGTMMUONSA-N 1 3 337.508 2.015 10 30 EEEEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715772 468630836 /nfs/dbraw/zinc/63/08/36/468630836.db2.gz ILHCJBGXIWKZPK-FGTMMUONSA-N 1 3 337.508 2.015 10 30 EEEEHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715772 468630838 /nfs/dbraw/zinc/63/08/38/468630838.db2.gz ILHCJBGXIWKZPK-FGTMMUONSA-N 1 3 337.508 2.015 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(CC#N)c1 ZINC000596929618 469411234 /nfs/dbraw/zinc/41/12/34/469411234.db2.gz WQEZCCBQWRCOIN-HNNXBMFYSA-N 1 3 331.464 2.146 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(CC#N)c1 ZINC000596929618 469411237 /nfs/dbraw/zinc/41/12/37/469411237.db2.gz WQEZCCBQWRCOIN-HNNXBMFYSA-N 1 3 331.464 2.146 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000633041425 470329201 /nfs/dbraw/zinc/32/92/01/470329201.db2.gz NKJDSPPLRMDJTN-UHFFFAOYSA-N 1 3 334.508 2.297 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+](CCCC(C)C)C2)CC1 ZINC001485540819 1191828775 /nfs/dbraw/zinc/82/87/75/1191828775.db2.gz UZLJPPCVFLKJEI-QGZVFWFLSA-N 1 3 333.520 2.204 10 30 EEEEHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]CC#Cc1ccccc1Cl ZINC001267123961 1178291924 /nfs/dbraw/zinc/29/19/24/1178291924.db2.gz ZGXDIXLMDDJNEA-MAUKXSAKSA-N 1 3 347.890 2.270 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481988995 1183093918 /nfs/dbraw/zinc/09/39/18/1183093918.db2.gz WLELPPFYKZKDIG-HZPDHXFCSA-N 1 3 327.900 2.299 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481988995 1183093923 /nfs/dbraw/zinc/09/39/23/1183093923.db2.gz WLELPPFYKZKDIG-HZPDHXFCSA-N 1 3 327.900 2.299 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001482171738 1183497979 /nfs/dbraw/zinc/49/79/79/1183497979.db2.gz HOFPQEUYUBYWCK-MSOLQXFVSA-N 1 3 341.499 2.435 10 30 EEEEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483272245 1190296421 /nfs/dbraw/zinc/29/64/21/1190296421.db2.gz PYBRFRJOAXKTRZ-WMLDXEAASA-N 1 3 348.516 2.477 10 30 EEEEHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CCO1 ZINC001273321863 1198126194 /nfs/dbraw/zinc/12/61/94/1198126194.db2.gz ACYNWJADHIYGCI-ZWKOTPCHSA-N 1 3 337.508 2.034 10 30 EEEEHO C=C(Br)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001437020930 1198469871 /nfs/dbraw/zinc/46/98/71/1198469871.db2.gz LFWFOXYPVBEYCO-ZIAGYGMSSA-N 1 3 346.313 2.063 10 30 EEEEHO C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001273437017 1198917204 /nfs/dbraw/zinc/91/72/04/1198917204.db2.gz GYEXVXFAMFHKFQ-QGZVFWFLSA-N 1 3 337.508 2.034 10 30 EEEEHO C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001273437017 1198917206 /nfs/dbraw/zinc/91/72/06/1198917206.db2.gz GYEXVXFAMFHKFQ-QGZVFWFLSA-N 1 3 337.508 2.034 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001275150032 1205268082 /nfs/dbraw/zinc/26/80/82/1205268082.db2.gz USHPWKRSIKZCTB-HKUYNNGSSA-N 1 3 327.472 2.005 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001275150032 1205268083 /nfs/dbraw/zinc/26/80/83/1205268083.db2.gz USHPWKRSIKZCTB-HKUYNNGSSA-N 1 3 327.472 2.005 10 30 EEEEHO C=C(Cl)CN[C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001490302430 1291137412 /nfs/dbraw/zinc/13/74/12/1291137412.db2.gz ICHYTPVWJLGKCC-CABCVRRESA-N 1 3 325.884 2.194 10 30 EEEEHO C=CC[C@]1(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CCC[NH2+]1 ZINC000852872183 1292223077 /nfs/dbraw/zinc/22/30/77/1292223077.db2.gz JDJBMVYZGCFPFW-HXUWFJFHSA-N 1 3 342.487 2.465 10 30 EEEEHO C[C@H]1[C@H](NCC#Cc2ccc(F)cc2)CCN1C(=O)CCC[NH+](C)C ZINC001278294031 1309084866 /nfs/dbraw/zinc/08/48/66/1309084866.db2.gz QQGVVBIVJXSQDU-QFBILLFUSA-N 1 3 345.462 2.098 10 30 EEEEHO CC(C)[C@@H](C(=O)NC[C@@H](NCC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001265378278 1323108166 /nfs/dbraw/zinc/10/81/66/1323108166.db2.gz JCFKZFRCMKYJHP-UXHICEINSA-N 1 3 341.499 2.109 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001282494895 1325732246 /nfs/dbraw/zinc/73/22/46/1325732246.db2.gz COBFQAZGVBJJOM-INIZCTEOSA-N 1 3 333.520 2.204 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001282494895 1325732248 /nfs/dbraw/zinc/73/22/48/1325732248.db2.gz COBFQAZGVBJJOM-INIZCTEOSA-N 1 3 333.520 2.204 10 30 EEEEHO C=C(Br)CNCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283176064 1325944839 /nfs/dbraw/zinc/94/48/39/1325944839.db2.gz GJYWRTVKPDFNKO-BFHYXJOUSA-N 1 3 346.313 2.110 10 30 EEEEHO C=C(Br)CNCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283176064 1325944840 /nfs/dbraw/zinc/94/48/40/1325944840.db2.gz GJYWRTVKPDFNKO-BFHYXJOUSA-N 1 3 346.313 2.110 10 30 EEEEHO C=CCOCCN1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001316933384 1331999425 /nfs/dbraw/zinc/99/94/25/1331999425.db2.gz JNCNZRJQKSKDLM-RBUKOAKNSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCOCCN1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001316933384 1331999427 /nfs/dbraw/zinc/99/94/27/1331999427.db2.gz JNCNZRJQKSKDLM-RBUKOAKNSA-N 1 3 349.519 2.129 10 30 EEEEHO CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1)N(C)C ZINC001318712179 1332582252 /nfs/dbraw/zinc/58/22/52/1332582252.db2.gz DMUHDQDVNQJKHS-FPOVZHCZSA-N 1 3 341.499 2.253 10 30 EEEEHO C[C@H]1C[C@@H](C(=O)N(C)CCCNCc2ccccc2C#N)CC[N@@H+]1C ZINC001322661734 1333302786 /nfs/dbraw/zinc/30/27/86/1333302786.db2.gz JIGNTKTXFOSWHC-IRXDYDNUSA-N 1 3 342.487 2.227 10 30 EEEEHO C[C@H]1C[C@@H](C(=O)N(C)CCCNCc2ccccc2C#N)CC[N@H+]1C ZINC001322661734 1333302789 /nfs/dbraw/zinc/30/27/89/1333302789.db2.gz JIGNTKTXFOSWHC-IRXDYDNUSA-N 1 3 342.487 2.227 10 30 EEEEHO C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001566689851 1342603495 /nfs/dbraw/zinc/60/34/95/1342603495.db2.gz WBESLNYKRONAST-MSOLQXFVSA-N 1 3 349.519 2.033 10 30 EEEEHO CC#CCN1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661752507 1354690239 /nfs/dbraw/zinc/69/02/39/1354690239.db2.gz KREUQOJJVRXSPJ-RTBURBONSA-N 1 3 333.520 2.348 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001664309169 1355135606 /nfs/dbraw/zinc/13/56/06/1355135606.db2.gz HXCYFYCPZSSBEP-RTBURBONSA-N 1 3 342.487 2.227 10 30 EEEEHO C#CCCN1CCc2c(CNC(=O)C[C@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001673080008 1356644366 /nfs/dbraw/zinc/64/43/66/1356644366.db2.gz XGWZULDNPMSTAQ-QGZVFWFLSA-N 1 3 339.483 2.026 10 30 EEEEHO C#CCCN1CCc2c(CNC(=O)C[C@H]3CC[N@H+](C)C3)cccc2C1 ZINC001673080008 1356644370 /nfs/dbraw/zinc/64/43/70/1356644370.db2.gz XGWZULDNPMSTAQ-QGZVFWFLSA-N 1 3 339.483 2.026 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001699403195 1405347881 /nfs/dbraw/zinc/34/78/81/1405347881.db2.gz MZVZEMHZBFXFAI-LPHOPBHVSA-N 1 3 345.462 2.144 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001699403195 1405347886 /nfs/dbraw/zinc/34/78/86/1405347886.db2.gz MZVZEMHZBFXFAI-LPHOPBHVSA-N 1 3 345.462 2.144 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC=C)CC2(C)C)CC1 ZINC000941238724 780227848 /nfs/dbraw/zinc/22/78/48/780227848.db2.gz CBRYPWZACGNGFK-GOSISDBHSA-N 1 3 331.504 2.124 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC=C)CC2(C)C)CC1 ZINC000941238724 780227855 /nfs/dbraw/zinc/22/78/55/780227855.db2.gz CBRYPWZACGNGFK-GOSISDBHSA-N 1 3 331.504 2.124 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001440363266 1093528820 /nfs/dbraw/zinc/52/88/20/1093528820.db2.gz QHCJDMFKJXOLNJ-JCNLHEQBSA-N 1 3 346.450 2.022 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CN(C)C1CCC1 ZINC001497207005 1102126367 /nfs/dbraw/zinc/12/63/67/1102126367.db2.gz WVDUEABRDQCDPM-AWEZNQCLSA-N 1 3 346.450 2.166 10 30 EEEEHO C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001501172030 1113227080 /nfs/dbraw/zinc/22/70/80/1113227080.db2.gz LYBWSBBDTHZWFU-NXOAAHMSSA-N 1 3 339.911 2.440 10 30 EEEEHO C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001501172030 1113227082 /nfs/dbraw/zinc/22/70/82/1113227082.db2.gz LYBWSBBDTHZWFU-NXOAAHMSSA-N 1 3 339.911 2.440 10 30 EEEEHO C=C(Br)C[NH2+][C@H](CCNC(=O)[C@@H]1CCCN1C)C(C)C ZINC001506982024 1115029379 /nfs/dbraw/zinc/02/93/79/1115029379.db2.gz NTTYXGSBRTVUSE-KGLIPLIRSA-N 1 3 346.313 2.110 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001568713987 1124731333 /nfs/dbraw/zinc/73/13/33/1124731333.db2.gz MLUVNMFAQATSOG-UYAOXDASSA-N 1 3 341.499 2.397 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC#Cc1ccccc1)[NH+]1CCCC1 ZINC001569038037 1125058055 /nfs/dbraw/zinc/05/80/55/1125058055.db2.gz FDDXAJIDJARSCH-QUCCMNQESA-N 1 3 341.499 2.253 10 30 EEEEHO C[C@H](O)C[C@@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181276 465298748 /nfs/dbraw/zinc/29/87/48/465298748.db2.gz ZDTXFCQTWXLVMX-MUGJNUQGSA-N 1 3 336.520 2.241 10 30 EEEEHO C[C@H](O)C[C@@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181276 465298753 /nfs/dbraw/zinc/29/87/53/465298753.db2.gz ZDTXFCQTWXLVMX-MUGJNUQGSA-N 1 3 336.520 2.241 10 30 EEEEHO N#CC1(C[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000599335351 469215237 /nfs/dbraw/zinc/21/52/37/469215237.db2.gz SVHYGLGEZKKCOX-YTQUADARSA-N 1 3 347.503 2.006 10 30 EEEEHO N#CC1(C[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000599335351 469215242 /nfs/dbraw/zinc/21/52/42/469215242.db2.gz SVHYGLGEZKKCOX-YTQUADARSA-N 1 3 347.503 2.006 10 30 EEEEHO C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000626937846 469762654 /nfs/dbraw/zinc/76/26/54/469762654.db2.gz WJKNSKNYWPJSNE-DLBZAZTESA-N 1 3 334.508 2.269 10 30 EEEEHO C=CC[C@@]1(C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662873277 472286452 /nfs/dbraw/zinc/28/64/52/472286452.db2.gz VQPIKXFWSKODRH-FPOVZHCZSA-N 1 3 341.499 2.460 10 30 EEEEHO CC#CCN(CCC)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691181099 1177679314 /nfs/dbraw/zinc/67/93/14/1177679314.db2.gz PLOQGSDMBGQCEX-SFHVURJKSA-N 1 3 333.520 2.493 10 30 EEEEHO CC#CCN(CCC)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001691181099 1177679321 /nfs/dbraw/zinc/67/93/21/1177679321.db2.gz PLOQGSDMBGQCEX-SFHVURJKSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CC(=C)C)c2ccccc2)CC1 ZINC001267526105 1179267724 /nfs/dbraw/zinc/26/77/24/1179267724.db2.gz KYQPDNWLQNDSLN-FQEVSTJZSA-N 1 3 339.483 2.355 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]Cc2ccccc2C)CC1 ZINC001268630125 1183555272 /nfs/dbraw/zinc/55/52/72/1183555272.db2.gz FXEZTDZMYVXNCT-VOTSOKGWSA-N 1 3 339.483 2.102 10 30 EEEEHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC#Cc1ccccc1Cl ZINC001269510930 1184332440 /nfs/dbraw/zinc/33/24/40/1184332440.db2.gz SYYKWDMTQIOORF-IRXDYDNUSA-N 1 3 347.890 2.128 10 30 EEEEHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC#Cc1ccccc1Cl ZINC001269510930 1184332448 /nfs/dbraw/zinc/33/24/48/1184332448.db2.gz SYYKWDMTQIOORF-IRXDYDNUSA-N 1 3 347.890 2.128 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001482370219 1185536006 /nfs/dbraw/zinc/53/60/06/1185536006.db2.gz TUANJMPCBPEDLB-APWZRJJASA-N 1 3 342.487 2.369 10 30 EEEEHO CN(C)CCC[N@H+](C)CCNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000865937972 1198430590 /nfs/dbraw/zinc/43/05/90/1198430590.db2.gz AMYUVKBHDQHYMZ-UHFFFAOYSA-N 1 3 329.370 2.267 10 30 EEEEHO CN(C)CCC[N@@H+](C)CCNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000865937972 1198430594 /nfs/dbraw/zinc/43/05/94/1198430594.db2.gz AMYUVKBHDQHYMZ-UHFFFAOYSA-N 1 3 329.370 2.267 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000876932339 1199822728 /nfs/dbraw/zinc/82/27/28/1199822728.db2.gz KERGAZKACJOBEP-YESZJQIVSA-N 1 3 333.863 2.189 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000876932339 1199822734 /nfs/dbraw/zinc/82/27/34/1199822734.db2.gz KERGAZKACJOBEP-YESZJQIVSA-N 1 3 333.863 2.189 10 30 EEEEHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1F)N(C)C ZINC001276057700 1205756163 /nfs/dbraw/zinc/75/61/63/1205756163.db2.gz AQUDBBZKVLWKAQ-SFHVURJKSA-N 1 3 348.466 2.222 10 30 EEEEHO CC#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001490985416 1258543535 /nfs/dbraw/zinc/54/35/35/1258543535.db2.gz YTVSDDJZDAFFRP-RBUKOAKNSA-N 1 3 331.504 2.199 10 30 EEEEHO C=CC[C@@]1(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CCC[NH2+]1 ZINC000852872181 1292223185 /nfs/dbraw/zinc/22/31/85/1292223185.db2.gz JDJBMVYZGCFPFW-FQEVSTJZSA-N 1 3 342.487 2.465 10 30 EEEEHO C=CCCC[C@@H](N)C(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001263186431 1322441848 /nfs/dbraw/zinc/44/18/48/1322441848.db2.gz BVCMHRDMDVZPTJ-SJORKVTESA-N 1 3 343.471 2.432 10 30 EEEEHO CCN(CC#Cc1cccc(Cl)c1)CCCNC(=O)CC[NH+](C)C ZINC001265130886 1322937522 /nfs/dbraw/zinc/93/75/22/1322937522.db2.gz GISDHUGKJZFMMO-UHFFFAOYSA-N 1 3 349.906 2.471 10 30 EEEEHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001492035287 1330459179 /nfs/dbraw/zinc/45/91/79/1330459179.db2.gz VOPRYJBCERCLAT-MRXNPFEDSA-N 1 3 345.462 2.146 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001317811909 1332417090 /nfs/dbraw/zinc/41/70/90/1332417090.db2.gz SEGGNMRYPZYOSW-ROUUACIJSA-N 1 3 333.520 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001317811909 1332417095 /nfs/dbraw/zinc/41/70/95/1332417095.db2.gz SEGGNMRYPZYOSW-ROUUACIJSA-N 1 3 333.520 2.206 10 30 EEEEHO CC#CCNCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001318999156 1332635401 /nfs/dbraw/zinc/63/54/01/1332635401.db2.gz QFYXHYUDDGYLMD-LPHOPBHVSA-N 1 3 327.472 2.146 10 30 EEEEHO CC#CCNCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001318999156 1332635403 /nfs/dbraw/zinc/63/54/03/1332635403.db2.gz QFYXHYUDDGYLMD-LPHOPBHVSA-N 1 3 327.472 2.146 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCC(=C)C)CC1 ZINC001320185697 1332845427 /nfs/dbraw/zinc/84/54/27/1332845427.db2.gz RVGAFLOSIAOGLT-RBUKOAKNSA-N 1 3 331.504 2.172 10 30 EEEEHO C#CC[NH2+]CC1(c2ccccc2)CCN(C(=O)CN(C)CCC)CC1 ZINC001328129806 1334402245 /nfs/dbraw/zinc/40/22/45/1334402245.db2.gz YHTPZBJNWGIWJA-UHFFFAOYSA-N 1 3 341.499 2.111 10 30 EEEEHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](F)CN(CC)CC)C[C@@]2(C)C1 ZINC001330527512 1334864538 /nfs/dbraw/zinc/86/45/38/1334864538.db2.gz AEVQWMHKFVGGRF-RYQLBKOJSA-N 1 3 325.472 2.023 10 30 EEEEHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](F)CN(CC)CC)C[C@@]2(C)C1 ZINC001330527512 1334864540 /nfs/dbraw/zinc/86/45/40/1334864540.db2.gz AEVQWMHKFVGGRF-RYQLBKOJSA-N 1 3 325.472 2.023 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2=CC[N@H+](CC/C=C\CC)CC2)CC1 ZINC001333456372 1336050587 /nfs/dbraw/zinc/05/05/87/1336050587.db2.gz CFMJXYVVOVTING-WAYWQWQTSA-N 1 3 343.515 2.436 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2=CC[N@@H+](CC/C=C\CC)CC2)CC1 ZINC001333456372 1336050590 /nfs/dbraw/zinc/05/05/90/1336050590.db2.gz CFMJXYVVOVTING-WAYWQWQTSA-N 1 3 343.515 2.436 10 30 EEEEHO C#CCC[NH+]1CCC(C)(CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001569700139 1342926979 /nfs/dbraw/zinc/92/69/79/1342926979.db2.gz PQOLZQFWEQVQCL-UHFFFAOYSA-N 1 3 333.520 2.493 10 30 EEEEHO CC#CCN1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001676821124 1357213988 /nfs/dbraw/zinc/21/39/88/1357213988.db2.gz RFFGSYJKMOTMIX-QUCCMNQESA-N 1 3 331.504 2.389 10 30 EEEEHO C=CCOCCN1CC=C(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001677621443 1357375777 /nfs/dbraw/zinc/37/57/77/1357375777.db2.gz QNCZFDAQEOUUIP-OALUTQOASA-N 1 3 349.519 2.058 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001691757450 1357523410 /nfs/dbraw/zinc/52/34/10/1357523410.db2.gz IOYSPXCEUPJHHP-GGPKGHCWSA-N 1 3 347.547 2.498 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001664241856 1355120924 /nfs/dbraw/zinc/12/09/24/1355120924.db2.gz XCDPWRDIGAXHBV-WMLDXEAASA-N 1 3 346.500 2.185 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001664241856 1355120931 /nfs/dbraw/zinc/12/09/31/1355120931.db2.gz XCDPWRDIGAXHBV-WMLDXEAASA-N 1 3 346.500 2.185 10 30 EEEEHO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001671784731 1356413745 /nfs/dbraw/zinc/41/37/45/1356413745.db2.gz KSCGFMBSIKDEIA-RBUKOAKNSA-N 1 3 337.483 2.050 10 30 EEEEHO C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001674425049 1356829557 /nfs/dbraw/zinc/82/95/57/1356829557.db2.gz NLKAIWBKHIKSAR-UYAOXDASSA-N 1 3 327.472 2.419 10 30 EEEEHO CCN1CC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278616408 463972050 /nfs/dbraw/zinc/97/20/50/463972050.db2.gz JFJHDQBOCSCOMU-MRXNPFEDSA-N 1 3 338.459 2.290 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)CC1 ZINC000246199083 464557884 /nfs/dbraw/zinc/55/78/84/464557884.db2.gz MWVJKBCSQYGNOA-ROUUACIJSA-N 1 3 334.508 2.295 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)CC1 ZINC000246199083 464557885 /nfs/dbraw/zinc/55/78/85/464557885.db2.gz MWVJKBCSQYGNOA-ROUUACIJSA-N 1 3 334.508 2.295 10 30 EEEEHO N#Cc1csc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000594974230 468735841 /nfs/dbraw/zinc/73/58/41/468735841.db2.gz IVYKPRIPHWJNFX-KRWDZBQOSA-N 1 3 327.453 2.476 10 30 EEEEHO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(C(C)(C)N)no1)C(C)C ZINC000662682781 472204217 /nfs/dbraw/zinc/20/42/17/472204217.db2.gz VALDIITUJDOHLH-AWEZNQCLSA-N 1 3 334.464 2.297 10 30 EEEEHO C=CC[C@@]1(C(=O)NCC2(N3CCC(OC)CC3)CCCC2)CCC[NH2+]1 ZINC000662726457 472223857 /nfs/dbraw/zinc/22/38/57/472223857.db2.gz PZUVEXSUVTTXSO-FQEVSTJZSA-N 1 3 349.519 2.225 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1[nH]c2ccccc2c1C#N ZINC000898585288 693384946 /nfs/dbraw/zinc/38/49/46/693384946.db2.gz RFIWSBSYELUIIL-AWEZNQCLSA-N 1 3 341.459 2.041 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1[nH]c2ccccc2c1C#N ZINC000898585288 693384951 /nfs/dbraw/zinc/38/49/51/693384951.db2.gz RFIWSBSYELUIIL-AWEZNQCLSA-N 1 3 341.459 2.041 10 30 EEEEHO C#CCCN[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001481365953 1181134276 /nfs/dbraw/zinc/13/42/76/1181134276.db2.gz UUDJXDHONXATTE-RBUKOAKNSA-N 1 3 327.472 2.331 10 30 EEEEHO C#CCCN[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001481365953 1181134280 /nfs/dbraw/zinc/13/42/80/1181134280.db2.gz UUDJXDHONXATTE-RBUKOAKNSA-N 1 3 327.472 2.331 10 30 EEEEHO CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCC#Cc1ccccc1 ZINC001268224668 1182035860 /nfs/dbraw/zinc/03/58/60/1182035860.db2.gz VJMYYFCGZBYVRE-VQTJNVASSA-N 1 3 343.515 2.355 10 30 EEEEHO CCCN1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481817089 1182734540 /nfs/dbraw/zinc/73/45/40/1182734540.db2.gz SMIQXCZGIVTQRQ-OALUTQOASA-N 1 3 342.487 2.417 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001482173162 1183499799 /nfs/dbraw/zinc/49/97/99/1183499799.db2.gz GXIXHLMNJSZFAJ-INIZCTEOSA-N 1 3 349.906 2.374 10 30 EEEEHO C[NH+](C)CCC(=O)NCc1ccc(CNCC#Cc2ccccc2)cc1 ZINC001270077028 1184829240 /nfs/dbraw/zinc/82/92/40/1184829240.db2.gz YAHUSOANXVSQJB-UHFFFAOYSA-N 1 3 349.478 2.396 10 30 EEEEHO C#CCN1CCC([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001271438172 1186224361 /nfs/dbraw/zinc/22/43/61/1186224361.db2.gz LPNXJZJAROYQQC-LJQANCHMSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CC2CC(C)C2)C(C)C)CC1 ZINC001271939130 1186651555 /nfs/dbraw/zinc/65/15/55/1186651555.db2.gz DRTWYYJKCFZVCL-FAFZWHIHSA-N 1 3 333.520 2.108 10 30 EEEEHO C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001484397234 1191330572 /nfs/dbraw/zinc/33/05/72/1191330572.db2.gz CHJZYGZOKGTTQS-WAAHFUDESA-N 1 3 333.520 2.395 10 30 EEEEHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001485251774 1191704149 /nfs/dbraw/zinc/70/41/49/1191704149.db2.gz MTEFSJWAHVWQFJ-HNNXBMFYSA-N 1 3 327.900 2.155 10 30 EEEEHO CC1([NH2+]CC#Cc2ccccc2)CCN(C(=O)CN2CCCC2)CC1 ZINC001274398592 1205021152 /nfs/dbraw/zinc/02/11/52/1205021152.db2.gz RVFUUWQSLGKJRV-UHFFFAOYSA-N 1 3 339.483 2.105 10 30 EEEEHO C[NH+]1CCC(CC(=O)NC/C=C/CNCc2ccc(C#N)s2)CC1 ZINC001274412908 1205025438 /nfs/dbraw/zinc/02/54/38/1205025438.db2.gz JGCUDHAGFGDDEL-NSCUHMNNSA-N 1 3 346.500 2.114 10 30 EEEEHO C#CCN1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489347609 1290531194 /nfs/dbraw/zinc/53/11/94/1290531194.db2.gz BNSAVPUNOCPDHC-GOSISDBHSA-N 1 3 333.520 2.493 10 30 EEEEHO C=CCOCCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001276388532 1297159164 /nfs/dbraw/zinc/15/91/64/1297159164.db2.gz ISANWCWYPUNTQU-QFBILLFUSA-N 1 3 349.519 2.033 10 30 EEEEHO C=CCOCCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001276388532 1297159165 /nfs/dbraw/zinc/15/91/65/1297159165.db2.gz ISANWCWYPUNTQU-QFBILLFUSA-N 1 3 349.519 2.033 10 30 EEEEHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)C1 ZINC001491558131 1303520304 /nfs/dbraw/zinc/52/03/04/1303520304.db2.gz IWCTVVKLLARZRY-CABCVRRESA-N 1 3 348.516 2.336 10 30 EEEEHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)C1 ZINC001491558131 1303520308 /nfs/dbraw/zinc/52/03/08/1303520308.db2.gz IWCTVVKLLARZRY-CABCVRRESA-N 1 3 348.516 2.336 10 30 EEEEHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001265407135 1323135423 /nfs/dbraw/zinc/13/54/23/1323135423.db2.gz RDEIBAFQOZYJRT-KANFNMMFSA-N 1 3 331.504 2.358 10 30 EEEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001280357404 1324170832 /nfs/dbraw/zinc/17/08/32/1324170832.db2.gz YUCREZSKSXHSID-KRWDZBQOSA-N 1 3 327.472 2.463 10 30 EEEEHO C#CCN(C)CCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC001210837613 1325457370 /nfs/dbraw/zinc/45/73/70/1325457370.db2.gz SOXABKMBMAWCRA-UHFFFAOYSA-N 1 3 348.535 2.430 10 30 EEEEHO C[C@@H]1C[C@@H](NCC#Cc2ccc(F)cc2)CN1C(=O)CCC[NH+](C)C ZINC001284005011 1326359159 /nfs/dbraw/zinc/35/91/59/1326359159.db2.gz VBRPWGMZDNOXJG-VQIMIIECSA-N 1 3 345.462 2.098 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CCCc2ccccc2)CC1 ZINC001317472175 1331545064 /nfs/dbraw/zinc/54/50/64/1331545064.db2.gz WMPMBROJAGNERR-UHFFFAOYSA-N 1 3 341.499 2.012 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CCCc2ccccc2)CC1 ZINC001317472175 1331545067 /nfs/dbraw/zinc/54/50/67/1331545067.db2.gz WMPMBROJAGNERR-UHFFFAOYSA-N 1 3 341.499 2.012 10 30 EEEEHO C#CCN1CCC(C(=O)NC2CCC([NH2+]CCC(C)C)CC2)CC1 ZINC001317221499 1332142421 /nfs/dbraw/zinc/14/24/21/1332142421.db2.gz MXKPFZNXRGOPQK-UHFFFAOYSA-N 1 3 333.520 2.395 10 30 EEEEHO C[C@H](CNC(=O)CCCC[NH+](C)C)NCC#Cc1ccc(F)cc1 ZINC001317284847 1332164376 /nfs/dbraw/zinc/16/43/76/1332164376.db2.gz YJQZNMQPTLGOOO-MRXNPFEDSA-N 1 3 333.451 2.003 10 30 EEEEHO CC[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)N(C)C ZINC001317810141 1332416464 /nfs/dbraw/zinc/41/64/64/1332416464.db2.gz YKBZICGTCPZMHV-PMACEKPBSA-N 1 3 341.499 2.207 10 30 EEEEHO CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)N(C)C ZINC001317810141 1332416467 /nfs/dbraw/zinc/41/64/67/1332416467.db2.gz YKBZICGTCPZMHV-PMACEKPBSA-N 1 3 341.499 2.207 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1Cl)N(C)C(=O)CC[NH+](C)C ZINC001319525378 1332715848 /nfs/dbraw/zinc/71/58/48/1332715848.db2.gz NTPVEWPYIXRLTE-HNNXBMFYSA-N 1 3 335.879 2.080 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001325897962 1333988007 /nfs/dbraw/zinc/98/80/07/1333988007.db2.gz HKCIBVBAYHDHBE-IPMKNSEASA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001325897962 1333988009 /nfs/dbraw/zinc/98/80/09/1333988009.db2.gz HKCIBVBAYHDHBE-IPMKNSEASA-N 1 3 349.519 2.129 10 30 EEEEHO C=C(C)CN[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C(F)(F)F ZINC001333021379 1335949265 /nfs/dbraw/zinc/94/92/65/1335949265.db2.gz OMDXSOJCHQDBAN-KGLIPLIRSA-N 1 3 347.425 2.273 10 30 EEEEHO C=CCn1c(C2CC[NH+](C)CC2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001339094886 1336958476 /nfs/dbraw/zinc/95/84/76/1336958476.db2.gz KSAIUEHEFHNJSJ-QGZVFWFLSA-N 1 3 346.523 2.050 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)CC(C)C)CC1 ZINC001667118399 1355651729 /nfs/dbraw/zinc/65/17/29/1355651729.db2.gz RAGMPCHQXHUEPK-ZGRWHYIRSA-N 1 3 339.911 2.205 10 30 EEEEHO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001668214014 1355900568 /nfs/dbraw/zinc/90/05/68/1355900568.db2.gz HMHXOLVVWGKALA-BBRMVZONSA-N 1 3 333.879 2.436 10 30 EEEEHO C=CCN[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001677376626 1357324448 /nfs/dbraw/zinc/32/44/48/1357324448.db2.gz XRXMUDOTPWZIIA-ZIAGYGMSSA-N 1 3 335.414 2.273 10 30 EEEEHO C#CCN1CCC(C(=O)NC2CCC([NH2+]CCC(=C)C)CC2)CC1 ZINC001662142791 1354754612 /nfs/dbraw/zinc/75/46/12/1354754612.db2.gz YTWPROXGYVMVCD-UHFFFAOYSA-N 1 3 331.504 2.315 10 30 EEEEHO C[NH+](C)CCC(=O)NCCC[C@H]1CCCN1Cc1ccccc1C#N ZINC001663103644 1354914585 /nfs/dbraw/zinc/91/45/85/1354914585.db2.gz CZECTYQIWXJPDS-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO CC[C@H](CNC(=O)CCC[NH+](C)C)NCC#Cc1ccc(F)cc1 ZINC001665834258 1355397941 /nfs/dbraw/zinc/39/79/41/1355397941.db2.gz OPXRZBRAQDNCGG-GOSISDBHSA-N 1 3 333.451 2.003 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)CCCNCc1ccccc1C#N)[NH+](C)C ZINC001670236975 1356301223 /nfs/dbraw/zinc/30/12/23/1356301223.db2.gz INXFEIHYJAJHHI-GOSISDBHSA-N 1 3 330.476 2.083 10 30 EEEEHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCC#Cc1ccc(F)cc1 ZINC001699763111 1405472917 /nfs/dbraw/zinc/47/29/17/1405472917.db2.gz KMFHEUDCEANCSO-IBGZPJMESA-N 1 3 345.462 2.100 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCC#Cc1ccc(F)cc1 ZINC001699763111 1405472919 /nfs/dbraw/zinc/47/29/19/1405472919.db2.gz KMFHEUDCEANCSO-IBGZPJMESA-N 1 3 345.462 2.100 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857938 779445671 /nfs/dbraw/zinc/44/56/71/779445671.db2.gz HGNCYDLFPNYMKF-ZWKOTPCHSA-N 1 3 333.520 2.347 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857938 779445676 /nfs/dbraw/zinc/44/56/76/779445676.db2.gz HGNCYDLFPNYMKF-ZWKOTPCHSA-N 1 3 333.520 2.347 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075406 779795027 /nfs/dbraw/zinc/79/50/27/779795027.db2.gz KMYWNOHNQYZARX-ROUUACIJSA-N 1 3 333.520 2.491 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442206132 1096491673 /nfs/dbraw/zinc/49/16/73/1096491673.db2.gz PFGORKNPOPOLNK-RTBURBONSA-N 1 3 342.487 2.415 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001497330288 1102335281 /nfs/dbraw/zinc/33/52/81/1102335281.db2.gz GHBABGRVFFUOEM-INIZCTEOSA-N 1 3 333.520 2.252 10 30 EEEEHO C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001499929716 1112544983 /nfs/dbraw/zinc/54/49/83/1112544983.db2.gz KPTMHHJWPMCNDY-ZWKOTPCHSA-N 1 3 337.508 2.033 10 30 EEEEHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)NCC#Cc1ccc(Cl)cc1 ZINC001507113791 1115115073 /nfs/dbraw/zinc/11/50/73/1115115073.db2.gz DFXQZLOVCXHKCV-INIZCTEOSA-N 1 3 349.906 2.470 10 30 EEEEHO C=CCC[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001508137465 1115425842 /nfs/dbraw/zinc/42/58/42/1115425842.db2.gz UITPJUBQMRXESF-JTTJXQCZSA-N 1 3 325.472 2.354 10 30 EEEEHO C[NH+](C)CC1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000348343833 465559270 /nfs/dbraw/zinc/55/92/70/465559270.db2.gz ASVXRHAOLOGHHU-JLAWEPINSA-N 1 3 338.455 2.477 10 30 EEEEHO CC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)N1CCc2ccccc2C1 ZINC000594440268 468589229 /nfs/dbraw/zinc/58/92/29/468589229.db2.gz BFTHMMOPJGLPLX-RTBURBONSA-N 1 3 342.487 2.351 10 30 EEEEHO CC(C)C[N@H+](C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000593203242 468903414 /nfs/dbraw/zinc/90/34/14/468903414.db2.gz IWVKMZVUWWWULI-GOSISDBHSA-N 1 3 326.444 2.335 10 30 EEEEHO CC(C)C[N@@H+](C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000593203242 468903415 /nfs/dbraw/zinc/90/34/15/468903415.db2.gz IWVKMZVUWWWULI-GOSISDBHSA-N 1 3 326.444 2.335 10 30 EEEEHO C#CCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CCN(C)CC1 ZINC000914336002 683505762 /nfs/dbraw/zinc/50/57/62/683505762.db2.gz WVXJHHHRQBZDOJ-KRWDZBQOSA-N 1 3 348.535 2.236 10 30 EEEEHO C#CCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CCN(C)CC1 ZINC000914336002 683505765 /nfs/dbraw/zinc/50/57/65/683505765.db2.gz WVXJHHHRQBZDOJ-KRWDZBQOSA-N 1 3 348.535 2.236 10 30 EEEEHO C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001269730380 1184565355 /nfs/dbraw/zinc/56/53/55/1184565355.db2.gz OFAJMSZSWKSRBS-GOSISDBHSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001270905717 1185716282 /nfs/dbraw/zinc/71/62/82/1185716282.db2.gz BOUBVJMCPSDTRF-UHFFFAOYSA-N 1 3 341.499 2.256 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C)CC1 ZINC001271939063 1186651137 /nfs/dbraw/zinc/65/11/37/1186651137.db2.gz BZDFKULUIJYVNH-SFHVURJKSA-N 1 3 335.536 2.498 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001482845065 1187763477 /nfs/dbraw/zinc/76/34/77/1187763477.db2.gz NWDZIZCPEVTNKZ-KDOFPFPSSA-N 1 3 348.466 2.268 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCCc2ccsc2)CC1 ZINC001483197952 1189083780 /nfs/dbraw/zinc/08/37/80/1189083780.db2.gz JCJJHDMWIRIEPB-MRXNPFEDSA-N 1 3 347.528 2.120 10 30 EEEEHO CC1CCN(CC(=O)N(C)CCC[NH2+]CC#Cc2ccccc2)CC1 ZINC001276297850 1205873537 /nfs/dbraw/zinc/87/35/37/1205873537.db2.gz NSEDIXVHIMPSPI-UHFFFAOYSA-N 1 3 341.499 2.208 10 30 EEEEHO C#Cc1ccc(NC(=O)CCN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000930576745 1206568241 /nfs/dbraw/zinc/56/82/41/1206568241.db2.gz MRGOSXVAVIRRIE-FQEVSTJZSA-N 1 3 325.456 2.414 10 30 EEEEHO C#Cc1ccc(NC(=O)CCN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000930576745 1206568242 /nfs/dbraw/zinc/56/82/42/1206568242.db2.gz MRGOSXVAVIRRIE-FQEVSTJZSA-N 1 3 325.456 2.414 10 30 EEEEHO C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273823980 1286464921 /nfs/dbraw/zinc/46/49/21/1286464921.db2.gz GHEOLNFOGHIXKA-VQTJNVASSA-N 1 3 341.499 2.447 10 30 EEEEHO C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273823980 1286464926 /nfs/dbraw/zinc/46/49/26/1286464926.db2.gz GHEOLNFOGHIXKA-VQTJNVASSA-N 1 3 341.499 2.447 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001265073092 1322907510 /nfs/dbraw/zinc/90/75/10/1322907510.db2.gz PTLXSGAUSRYCEL-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001265073092 1322907512 /nfs/dbraw/zinc/90/75/12/1322907512.db2.gz PTLXSGAUSRYCEL-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001316622377 1325799584 /nfs/dbraw/zinc/79/95/84/1325799584.db2.gz MNPFTEHZYXESHD-BGYRXZFFSA-N 1 3 341.499 2.254 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001316622377 1325799588 /nfs/dbraw/zinc/79/95/88/1325799588.db2.gz MNPFTEHZYXESHD-BGYRXZFFSA-N 1 3 341.499 2.254 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@H]1C ZINC001283925105 1326322568 /nfs/dbraw/zinc/32/25/68/1326322568.db2.gz BZWLZIDWVSDLRK-QUCCMNQESA-N 1 3 341.499 2.349 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC#Cc2ccccc2)[C@H]1C ZINC001283925105 1326322569 /nfs/dbraw/zinc/32/25/69/1326322569.db2.gz BZWLZIDWVSDLRK-QUCCMNQESA-N 1 3 341.499 2.349 10 30 EEEEHO C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001319111738 1332650821 /nfs/dbraw/zinc/65/08/21/1332650821.db2.gz MLYUVCWBMCBOAK-QAPCUYQASA-N 1 3 325.472 2.356 10 30 EEEEHO C#CCC[N@H+](CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001323734186 1333527386 /nfs/dbraw/zinc/52/73/86/1333527386.db2.gz YRLRRXFZVATLBZ-UHFFFAOYSA-N 1 3 331.504 2.197 10 30 EEEEHO C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001323734186 1333527387 /nfs/dbraw/zinc/52/73/87/1333527387.db2.gz YRLRRXFZVATLBZ-UHFFFAOYSA-N 1 3 331.504 2.197 10 30 EEEEHO C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001328812420 1334528068 /nfs/dbraw/zinc/52/80/68/1334528068.db2.gz NMMIGOIFOUUHKL-LJQANCHMSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001328812420 1334528071 /nfs/dbraw/zinc/52/80/71/1334528071.db2.gz NMMIGOIFOUUHKL-LJQANCHMSA-N 1 3 333.520 2.302 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001664309167 1355135677 /nfs/dbraw/zinc/13/56/77/1355135677.db2.gz HXCYFYCPZSSBEP-OALUTQOASA-N 1 3 342.487 2.227 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]Cc2cccc(F)c2)CC1 ZINC001665887963 1355405535 /nfs/dbraw/zinc/40/55/35/1355405535.db2.gz KPMCEDPTNYUXTA-IBGZPJMESA-N 1 3 345.462 2.155 10 30 EEEEHO C=C(C)CC[NH2+]C1(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CCOCC1 ZINC001671957833 1356443793 /nfs/dbraw/zinc/44/37/93/1356443793.db2.gz RHIKCXVOHHEATR-IRXDYDNUSA-N 1 3 337.508 2.080 10 30 EEEEHO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001672348099 1356506410 /nfs/dbraw/zinc/50/64/10/1356506410.db2.gz IADPTTGSXWMRAA-BCDXTJNWSA-N 1 3 349.519 2.033 10 30 EEEEHO C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(N(C)C)CCC1)C2 ZINC001672348099 1356506413 /nfs/dbraw/zinc/50/64/13/1356506413.db2.gz IADPTTGSXWMRAA-BCDXTJNWSA-N 1 3 349.519 2.033 10 30 EEEEHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001675343065 1356968038 /nfs/dbraw/zinc/96/80/38/1356968038.db2.gz JDFZGKIIGLRZMW-KDOFPFPSSA-N 1 3 325.472 2.212 10 30 EEEEHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001675343065 1356968041 /nfs/dbraw/zinc/96/80/41/1356968041.db2.gz JDFZGKIIGLRZMW-KDOFPFPSSA-N 1 3 325.472 2.212 10 30 EEEEHO C#CCN(C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)C1CCN(C)CC1 ZINC000921565635 789751375 /nfs/dbraw/zinc/75/13/75/789751375.db2.gz NNYNINULHMNJBI-SFHVURJKSA-N 1 3 348.535 2.093 10 30 EEEEHO C#CCN(C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)C1CCN(C)CC1 ZINC000921565635 789751377 /nfs/dbraw/zinc/75/13/77/789751377.db2.gz NNYNINULHMNJBI-SFHVURJKSA-N 1 3 348.535 2.093 10 30 EEEEHO C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001440796689 1094038129 /nfs/dbraw/zinc/03/81/29/1094038129.db2.gz KZCPZVOOYMYEPA-OLZOCXBDSA-N 1 3 334.489 2.087 10 30 EEEEHO CC#CCNCc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001495489696 1101198801 /nfs/dbraw/zinc/19/88/01/1101198801.db2.gz LVTYSDMLLKQXCH-UHFFFAOYSA-N 1 3 325.456 2.044 10 30 EEEEHO CN(CC(C)(C)CNCc1cc(F)ccc1C#N)C(=O)CC[NH+](C)C ZINC001447974817 1103716179 /nfs/dbraw/zinc/71/61/79/1103716179.db2.gz YZSDBQMLXODGAT-UHFFFAOYSA-N 1 3 348.466 2.223 10 30 EEEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001499066434 1108529048 /nfs/dbraw/zinc/52/90/48/1108529048.db2.gz IDAULUDBRGRFIS-QAPCUYQASA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001499066434 1108529059 /nfs/dbraw/zinc/52/90/59/1108529059.db2.gz IDAULUDBRGRFIS-QAPCUYQASA-N 1 3 325.472 2.356 10 30 EEEEHO C#CCCN1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001506744320 1114855817 /nfs/dbraw/zinc/85/58/17/1114855817.db2.gz LSDZBSUDZFOKJQ-SFHVURJKSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCCN1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001506744320 1114855820 /nfs/dbraw/zinc/85/58/20/1114855820.db2.gz LSDZBSUDZFOKJQ-SFHVURJKSA-N 1 3 333.520 2.491 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C(C)C ZINC000417057680 466766537 /nfs/dbraw/zinc/76/65/37/466766537.db2.gz CEEDHWNALAWVTF-CEXWTWQISA-N 1 3 348.535 2.326 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)C(C)C ZINC000417069999 466770185 /nfs/dbraw/zinc/77/01/85/466770185.db2.gz UZNSLGDADPXDEG-FGTMMUONSA-N 1 3 334.508 2.078 10 30 EEEEHO C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CN1Cc1ccccc1 ZINC000594437797 468586887 /nfs/dbraw/zinc/58/68/87/468586887.db2.gz FNNSGMSLHPXLDZ-NJAFHUGGSA-N 1 3 328.460 2.177 10 30 EEEEHO CN(C)C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594438993 468587663 /nfs/dbraw/zinc/58/76/63/468587663.db2.gz XZYSTHVJNNIKOY-HZPDHXFCSA-N 1 3 336.867 2.470 10 30 EEEEHO C=CCN1CCC(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000171721155 526440371 /nfs/dbraw/zinc/44/03/71/526440371.db2.gz VRWOMNXYNNCGGL-LJQANCHMSA-N 1 3 344.503 2.109 10 30 EEEEHO C#CCN(C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCN(C)CC1 ZINC000914357201 683530090 /nfs/dbraw/zinc/53/00/90/683530090.db2.gz CAVOXIZUIGDPPR-KSZLIROESA-N 1 3 348.535 2.092 10 30 EEEEHO C#CCN(C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCN(C)CC1 ZINC000914357201 683530096 /nfs/dbraw/zinc/53/00/96/683530096.db2.gz CAVOXIZUIGDPPR-KSZLIROESA-N 1 3 348.535 2.092 10 30 EEEEHO CCc1nc(CNC(=[NH+]C)N2CC[C@@H](N3CCCCC3)C2)cs1 ZINC000262792630 688477380 /nfs/dbraw/zinc/47/73/80/688477380.db2.gz OLRHUUHMCAQLGU-OAHLLOKOSA-N 1 3 335.521 2.341 10 30 EEEEHO C[C@H](CCCNCc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485748156 1191930192 /nfs/dbraw/zinc/93/01/92/1191930192.db2.gz KVXYWXDMSCCSGC-GDBMZVCRSA-N 1 3 346.450 2.024 10 30 EEEEHO C[C@H](CCCNCc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485748156 1191930193 /nfs/dbraw/zinc/93/01/93/1191930193.db2.gz KVXYWXDMSCCSGC-GDBMZVCRSA-N 1 3 346.450 2.024 10 30 EEEEHO CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001266878796 1177690773 /nfs/dbraw/zinc/69/07/73/1177690773.db2.gz MMDVAXXZNOCYBE-LPHOPBHVSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001481882464 1182867002 /nfs/dbraw/zinc/86/70/02/1182867002.db2.gz RMHVPLUYAATRLT-SFHVURJKSA-N 1 3 333.520 2.252 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001482032723 1183174065 /nfs/dbraw/zinc/17/40/65/1183174065.db2.gz IPOMLZCVQSJHCY-IBGZPJMESA-N 1 3 327.472 2.148 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)cc1 ZINC001482032723 1183174068 /nfs/dbraw/zinc/17/40/68/1183174068.db2.gz IPOMLZCVQSJHCY-IBGZPJMESA-N 1 3 327.472 2.148 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001482439879 1185725035 /nfs/dbraw/zinc/72/50/35/1185725035.db2.gz WXMTXFIOWYSBRW-QUCCMNQESA-N 1 3 341.499 2.205 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC001649097867 1193513991 /nfs/dbraw/zinc/51/39/91/1193513991.db2.gz HROFEIWOYZQQQB-HUUCEWRRSA-N 1 3 349.862 2.300 10 30 EEEEHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+](CCCC=C)CC1 ZINC001483984834 1191142640 /nfs/dbraw/zinc/14/26/40/1191142640.db2.gz AIXZRIFJBQYDEF-UHFFFAOYSA-N 1 3 331.504 2.363 10 30 EEEEHO C[NH+](C)CCC(=O)NC[C@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC001484167189 1191254637 /nfs/dbraw/zinc/25/46/37/1191254637.db2.gz PYVWEUPUYNXZOP-FQEVSTJZSA-N 1 3 342.487 2.228 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876762249 1199761429 /nfs/dbraw/zinc/76/14/29/1199761429.db2.gz CXZFFRWSPSSOOV-SJORKVTESA-N 1 3 335.879 2.437 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876762249 1199761432 /nfs/dbraw/zinc/76/14/32/1199761432.db2.gz CXZFFRWSPSSOOV-SJORKVTESA-N 1 3 335.879 2.437 10 30 EEEEHO C#CCC[N@@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001277448323 1303105862 /nfs/dbraw/zinc/10/58/62/1303105862.db2.gz ZBRYFKOPQOSJSJ-UHFFFAOYSA-N 1 3 327.472 2.308 10 30 EEEEHO C#CCC[N@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001277448323 1303105868 /nfs/dbraw/zinc/10/58/68/1303105868.db2.gz ZBRYFKOPQOSJSJ-UHFFFAOYSA-N 1 3 327.472 2.308 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001263880266 1322545707 /nfs/dbraw/zinc/54/57/07/1322545707.db2.gz IOYSPXCEUPJHHP-QWFCFKBJSA-N 1 3 347.547 2.498 10 30 EEEEHO C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001264677592 1322779387 /nfs/dbraw/zinc/77/93/87/1322779387.db2.gz DLISSGZOPHMIEB-KRWDZBQOSA-N 1 3 337.508 2.034 10 30 EEEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001265396278 1323126886 /nfs/dbraw/zinc/12/68/86/1323126886.db2.gz AEGLTLJRHDTAFW-RBUKOAKNSA-N 1 3 333.520 2.443 10 30 EEEEHO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001265396278 1323126894 /nfs/dbraw/zinc/12/68/94/1323126894.db2.gz AEGLTLJRHDTAFW-RBUKOAKNSA-N 1 3 333.520 2.443 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001265978616 1323538409 /nfs/dbraw/zinc/53/84/09/1323538409.db2.gz SEUDGVXZZIDSSW-UHFFFAOYSA-N 1 3 345.531 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001265978616 1323538413 /nfs/dbraw/zinc/53/84/13/1323538413.db2.gz SEUDGVXZZIDSSW-UHFFFAOYSA-N 1 3 345.531 2.350 10 30 EEEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266241900 1323830577 /nfs/dbraw/zinc/83/05/77/1323830577.db2.gz VVDDNSDPVZIRGL-HZPDHXFCSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266241900 1323830583 /nfs/dbraw/zinc/83/05/83/1323830583.db2.gz VVDDNSDPVZIRGL-HZPDHXFCSA-N 1 3 327.900 2.442 10 30 EEEEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001491964875 1330359070 /nfs/dbraw/zinc/35/90/70/1330359070.db2.gz CSUWWVYHCWGDJM-LJQANCHMSA-N 1 3 342.487 2.321 10 30 EEEEHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001491964875 1330359077 /nfs/dbraw/zinc/35/90/77/1330359077.db2.gz CSUWWVYHCWGDJM-LJQANCHMSA-N 1 3 342.487 2.321 10 30 EEEEHO C#CCCN1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317180970 1332118172 /nfs/dbraw/zinc/11/81/72/1332118172.db2.gz NRXMDPRHEZVTDG-OALUTQOASA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001326490023 1334102973 /nfs/dbraw/zinc/10/29/73/1334102973.db2.gz MCRGUMQJPZSKHO-KRWDZBQOSA-N 1 3 327.472 2.463 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CCc2cccs2)CC1 ZINC001329625861 1334686712 /nfs/dbraw/zinc/68/67/12/1334686712.db2.gz YDHUGOMGDAQCDA-INIZCTEOSA-N 1 3 347.528 2.072 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCc2cccs2)CC1 ZINC001329625861 1334686715 /nfs/dbraw/zinc/68/67/15/1334686715.db2.gz YDHUGOMGDAQCDA-INIZCTEOSA-N 1 3 347.528 2.072 10 30 EEEEHO C=C(C)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C(F)(F)F ZINC001333021382 1335949089 /nfs/dbraw/zinc/94/90/89/1335949089.db2.gz OMDXSOJCHQDBAN-ZIAGYGMSSA-N 1 3 347.425 2.273 10 30 EEEEHO CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001649462205 1353518798 /nfs/dbraw/zinc/51/87/98/1353518798.db2.gz JDGPXMHPRVOWER-RTBURBONSA-N 1 3 333.520 2.302 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001649462205 1353518802 /nfs/dbraw/zinc/51/88/02/1353518802.db2.gz JDGPXMHPRVOWER-RTBURBONSA-N 1 3 333.520 2.302 10 30 EEEEHO C=CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001675701624 1357040475 /nfs/dbraw/zinc/04/04/75/1357040475.db2.gz HPPIDVQJMJFOMP-SFHVURJKSA-N 1 3 349.519 2.034 10 30 EEEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CCCC1 ZINC001699797017 1405489318 /nfs/dbraw/zinc/48/93/18/1405489318.db2.gz SASHRBWYBZJILB-APWZRJJASA-N 1 3 337.483 2.097 10 30 EEEEHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)Cc1cccc(C#N)c1 ZINC001566565360 1125741783 /nfs/dbraw/zinc/74/17/83/1125741783.db2.gz SMESQSIRMFZGSC-KRWDZBQOSA-N 1 3 342.487 2.228 10 30 EEEEHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)Cc1cccc(C#N)c1 ZINC001566565360 1125741788 /nfs/dbraw/zinc/74/17/88/1125741788.db2.gz SMESQSIRMFZGSC-KRWDZBQOSA-N 1 3 342.487 2.228 10 30 EEEEHO CCN(CCNC(=O)CC[C@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC001437598754 1090105870 /nfs/dbraw/zinc/10/58/70/1090105870.db2.gz YZHPQMQHPKXYDQ-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO CCN(CCNC(=O)CC[C@H]1CCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC001437598754 1090105876 /nfs/dbraw/zinc/10/58/76/1090105876.db2.gz YZHPQMQHPKXYDQ-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO C[C@@H](NCc1ccccc1C#N)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444826788 1099771564 /nfs/dbraw/zinc/77/15/64/1099771564.db2.gz YTNNMQNOURMDQE-VQIMIIECSA-N 1 3 342.487 2.227 10 30 EEEEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480472621 1100280938 /nfs/dbraw/zinc/28/09/38/1100280938.db2.gz QNJZCFQDDDSXQG-QAPCUYQASA-N 1 3 328.460 2.027 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)CCC=C)CC1 ZINC001493160631 1107614231 /nfs/dbraw/zinc/61/42/31/1107614231.db2.gz IUMZSSPSTWWCJM-PKOBYXMFSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)CCC=C)CC1 ZINC001493160631 1107614239 /nfs/dbraw/zinc/61/42/39/1107614239.db2.gz IUMZSSPSTWWCJM-PKOBYXMFSA-N 1 3 331.504 2.267 10 30 EEEEHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501145585 1113214539 /nfs/dbraw/zinc/21/45/39/1113214539.db2.gz CHLUEIFWZFNVHC-LPHOPBHVSA-N 1 3 342.487 2.084 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC(C)C)CC2)CC1 ZINC001501722973 1113449532 /nfs/dbraw/zinc/44/95/32/1113449532.db2.gz LPHKEAYLKGEWJA-UAPYVXQJSA-N 1 3 333.520 2.252 10 30 EEEEHO CC#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406952 1113671516 /nfs/dbraw/zinc/67/15/16/1113671516.db2.gz WUEBFKXNFMHSLU-RTBURBONSA-N 1 3 345.531 2.445 10 30 EEEEHO C=C(Br)CNCC[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568068283 1124273793 /nfs/dbraw/zinc/27/37/93/1124273793.db2.gz TYDJDXCVKQVSBG-CQSZACIVSA-N 1 3 346.313 2.065 10 30 EEEEHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001568539734 1124600641 /nfs/dbraw/zinc/60/06/41/1124600641.db2.gz FMRPRCKUAFOWDG-UXHICEINSA-N 1 3 341.499 2.254 10 30 EEEEHO C[C@@]1(NCC#CC[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)CCO[C@@H]1C1CC1 ZINC000367465509 466356747 /nfs/dbraw/zinc/35/67/47/466356747.db2.gz ZXJNNQHQKMSYCN-WTGUMLROSA-N 1 3 332.488 2.084 10 30 EEEEHO C[C@@]1([NH2+]CC#CCN[C@@]2(C)CCO[C@@H]2C2CC2)CCO[C@@H]1C1CC1 ZINC000367465509 466356756 /nfs/dbraw/zinc/35/67/56/466356756.db2.gz ZXJNNQHQKMSYCN-WTGUMLROSA-N 1 3 332.488 2.084 10 30 EEEEHO C[NH+]=C(NCC1(N(C)C)CCCCC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262480002 686313552 /nfs/dbraw/zinc/31/35/52/686313552.db2.gz RFFLVAYGHHLBDG-MRXNPFEDSA-N 1 3 346.523 2.049 10 30 EEEEHO CC[C@@H](C(=O)NCC[C@@H]([NH2+]CC#Cc1ccccc1)C(C)C)N(C)C ZINC001485791962 1191954897 /nfs/dbraw/zinc/95/48/97/1191954897.db2.gz QPJFFGRGBVCGGS-UXHICEINSA-N 1 3 343.515 2.499 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2CC)CC1 ZINC001480951084 1179112268 /nfs/dbraw/zinc/11/22/68/1179112268.db2.gz NVMSFURSKRTEIV-UHFFFAOYSA-N 1 3 341.499 2.142 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2CC)CC1 ZINC001480951084 1179112271 /nfs/dbraw/zinc/11/22/71/1179112271.db2.gz NVMSFURSKRTEIV-UHFFFAOYSA-N 1 3 341.499 2.142 10 30 EEEEHO CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC#Cc2ccccc2)C1)N(C)C ZINC001481504864 1181585919 /nfs/dbraw/zinc/58/59/19/1181585919.db2.gz OYLOHYPEYMVQRG-UXHICEINSA-N 1 3 341.499 2.159 10 30 EEEEHO CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC#Cc2ccccc2)C1)N(C)C ZINC001481504864 1181585925 /nfs/dbraw/zinc/58/59/25/1181585925.db2.gz OYLOHYPEYMVQRG-UXHICEINSA-N 1 3 341.499 2.159 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001691508403 1185363848 /nfs/dbraw/zinc/36/38/48/1185363848.db2.gz NCWIXRSISFVISF-RBUKOAKNSA-N 1 3 340.471 2.123 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001691508403 1185363855 /nfs/dbraw/zinc/36/38/55/1185363855.db2.gz NCWIXRSISFVISF-RBUKOAKNSA-N 1 3 340.471 2.123 10 30 EEEEHO C#CCC[NH2+]CC(C)(C)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001485265587 1191711194 /nfs/dbraw/zinc/71/11/94/1191711194.db2.gz GBZRAVJPLAHIPW-UHFFFAOYSA-N 1 3 329.488 2.459 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2=CC[N@H+](CCCCC)CC2)CC1 ZINC001486521361 1194043598 /nfs/dbraw/zinc/04/35/98/1194043598.db2.gz XTZGEPZFGBLFJN-UHFFFAOYSA-N 1 3 331.504 2.270 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2=CC[N@@H+](CCCCC)CC2)CC1 ZINC001486521361 1194043601 /nfs/dbraw/zinc/04/36/01/1194043601.db2.gz XTZGEPZFGBLFJN-UHFFFAOYSA-N 1 3 331.504 2.270 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000877133516 1199867075 /nfs/dbraw/zinc/86/70/75/1199867075.db2.gz DQXLKRPUNUCFMA-XYPHTWIQSA-N 1 3 335.879 2.341 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000877133516 1199867078 /nfs/dbraw/zinc/86/70/78/1199867078.db2.gz DQXLKRPUNUCFMA-XYPHTWIQSA-N 1 3 335.879 2.341 10 30 EEEEHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(CCOCCC#N)C2)ccn1 ZINC000856604806 1293580350 /nfs/dbraw/zinc/58/03/50/1293580350.db2.gz RJTNDIIUCUPCCE-LJQANCHMSA-N 1 3 346.475 2.305 10 30 EEEEHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(CCOCCC#N)C2)ccn1 ZINC000856604806 1293580355 /nfs/dbraw/zinc/58/03/55/1293580355.db2.gz RJTNDIIUCUPCCE-LJQANCHMSA-N 1 3 346.475 2.305 10 30 EEEEHO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](F)CN(CC)CC)C2 ZINC001278336027 1309553009 /nfs/dbraw/zinc/55/30/09/1309553009.db2.gz OBPLCLLYGJOQMO-PKOBYXMFSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](F)CN(CC)CC)C2 ZINC001278336027 1309553016 /nfs/dbraw/zinc/55/30/16/1309553016.db2.gz OBPLCLLYGJOQMO-PKOBYXMFSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001278451922 1310326242 /nfs/dbraw/zinc/32/62/42/1310326242.db2.gz YYILEXIGMXFTTE-FXAWDEMLSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001278451922 1310326251 /nfs/dbraw/zinc/32/62/51/1310326251.db2.gz YYILEXIGMXFTTE-FXAWDEMLSA-N 1 3 331.504 2.267 10 30 EEEEHO C=C(C)CCNCc1nc2c(s1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001264189781 1322656799 /nfs/dbraw/zinc/65/67/99/1322656799.db2.gz KCKPZZXHLVHXMU-UHFFFAOYSA-N 1 3 336.505 2.035 10 30 EEEEHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1)N(C)C ZINC001264408946 1322693234 /nfs/dbraw/zinc/69/32/34/1322693234.db2.gz XOPDBNPFHHSQEL-NZSAHSFTSA-N 1 3 345.462 2.002 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001265429053 1323149888 /nfs/dbraw/zinc/14/98/88/1323149888.db2.gz KZXGRYOSDMINEY-PMACEKPBSA-N 1 3 339.483 2.101 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001265429053 1323149895 /nfs/dbraw/zinc/14/98/95/1323149895.db2.gz KZXGRYOSDMINEY-PMACEKPBSA-N 1 3 339.483 2.101 10 30 EEEEHO C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001281073086 1324753746 /nfs/dbraw/zinc/75/37/46/1324753746.db2.gz UMRDHSYELZJQJG-PXNSSMCTSA-N 1 3 341.499 2.447 10 30 EEEEHO C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001281073086 1324753751 /nfs/dbraw/zinc/75/37/51/1324753751.db2.gz UMRDHSYELZJQJG-PXNSSMCTSA-N 1 3 341.499 2.447 10 30 EEEEHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001492083642 1330991327 /nfs/dbraw/zinc/99/13/27/1330991327.db2.gz MGEZPASFHDTEKR-HUUCEWRRSA-N 1 3 346.450 2.024 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319285715 1332675408 /nfs/dbraw/zinc/67/54/08/1332675408.db2.gz PHXZTEUTMJGZHL-ICSRJNTNSA-N 1 3 341.499 2.254 10 30 EEEEHO CCN(CCNCc1cccc(C#N)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001320755418 1332945999 /nfs/dbraw/zinc/94/59/99/1332945999.db2.gz JAYUFKMICPGWSN-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO CCN(CCNCc1cccc(C#N)c1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001320755418 1332946001 /nfs/dbraw/zinc/94/60/01/1332946001.db2.gz JAYUFKMICPGWSN-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CCN(CC=C(C)C)CC1 ZINC001324432005 1333681306 /nfs/dbraw/zinc/68/13/06/1333681306.db2.gz MZMIZMNRKBXABX-SFHVURJKSA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CCN(CC=C(C)C)CC1 ZINC001324432005 1333681309 /nfs/dbraw/zinc/68/13/09/1333681309.db2.gz MZMIZMNRKBXABX-SFHVURJKSA-N 1 3 331.504 2.221 10 30 EEEEHO C=CCC[NH2+]CC1CC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001328916192 1334547589 /nfs/dbraw/zinc/54/75/89/1334547589.db2.gz WCAVXGCSDMTWNF-JMLCCBQJSA-N 1 3 325.472 2.259 10 30 EEEEHO C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567198448 1342709796 /nfs/dbraw/zinc/70/97/96/1342709796.db2.gz IKNKRFYXBQIUOP-LPHOPBHVSA-N 1 3 337.483 2.145 10 30 EEEEHO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567198448 1342709801 /nfs/dbraw/zinc/70/98/01/1342709801.db2.gz IKNKRFYXBQIUOP-LPHOPBHVSA-N 1 3 337.483 2.145 10 30 EEEEHO CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001666111257 1355454481 /nfs/dbraw/zinc/45/44/81/1355454481.db2.gz PWIMNFLDTXFOCA-GOSISDBHSA-N 1 3 333.520 2.493 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001666673848 1355564037 /nfs/dbraw/zinc/56/40/37/1355564037.db2.gz XKBRMGCYABKFOJ-MRXNPFEDSA-N 1 3 349.906 2.374 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCC=C)CC1 ZINC001667768694 1355811457 /nfs/dbraw/zinc/81/14/57/1355811457.db2.gz AZTJORMNBFUQFO-RBUKOAKNSA-N 1 3 331.504 2.172 10 30 EEEEHO C#CCC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001698803484 1405076752 /nfs/dbraw/zinc/07/67/52/1405076752.db2.gz NJGKUEVBNGKOKE-UHFFFAOYSA-N 1 3 327.472 2.404 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001699827149 1405512745 /nfs/dbraw/zinc/51/27/45/1405512745.db2.gz VEZRBCZXNZFPFM-FQEVSTJZSA-N 1 3 345.487 2.145 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001699827149 1405512750 /nfs/dbraw/zinc/51/27/50/1405512750.db2.gz VEZRBCZXNZFPFM-FQEVSTJZSA-N 1 3 345.487 2.145 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CCCC)C2)CC1 ZINC001699878875 1405545822 /nfs/dbraw/zinc/54/58/22/1405545822.db2.gz DEPVWWGTAABFDH-FQEVSTJZSA-N 1 3 333.520 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CCCC)C2)CC1 ZINC001699878875 1405545823 /nfs/dbraw/zinc/54/58/23/1405545823.db2.gz DEPVWWGTAABFDH-FQEVSTJZSA-N 1 3 333.520 2.350 10 30 EEEEHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001437310231 1089468488 /nfs/dbraw/zinc/46/84/88/1089468488.db2.gz JKPGPROMNOQAHN-RHSMWYFYSA-N 1 3 345.890 2.390 10 30 EEEEHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001446185533 1092259160 /nfs/dbraw/zinc/25/91/60/1092259160.db2.gz WLMJFCZBZAWHFR-SFHVURJKSA-N 1 3 340.471 2.171 10 30 EEEEHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001446185533 1092259174 /nfs/dbraw/zinc/25/91/74/1092259174.db2.gz WLMJFCZBZAWHFR-SFHVURJKSA-N 1 3 340.471 2.171 10 30 EEEEHO C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001499929713 1112545096 /nfs/dbraw/zinc/54/50/96/1112545096.db2.gz KPTMHHJWPMCNDY-MSOLQXFVSA-N 1 3 337.508 2.033 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC(=C)C)C2CCCC2)CC1 ZINC001500130414 1112631242 /nfs/dbraw/zinc/63/12/42/1112631242.db2.gz FDTXENAFXFJBRW-LJQANCHMSA-N 1 3 331.504 2.172 10 30 EEEEHO C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001501617892 1113401505 /nfs/dbraw/zinc/40/15/05/1113401505.db2.gz GJELXLAVMJKWKH-QFBILLFUSA-N 1 3 337.483 2.050 10 30 EEEEHO CC#CC[NH2+]CC[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001501651586 1113416010 /nfs/dbraw/zinc/41/60/10/1113416010.db2.gz QKNBWDRNYABNBD-KRWDZBQOSA-N 1 3 327.472 2.213 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001507427835 1115263208 /nfs/dbraw/zinc/26/32/08/1115263208.db2.gz LSTYDAMPYNFUIS-CABCVRRESA-N 1 3 348.516 2.334 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCC=C)C2)CC1 ZINC001567884424 1124156840 /nfs/dbraw/zinc/15/68/40/1124156840.db2.gz JTKSVNWTBJQWOC-IBGZPJMESA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCC=C)C2)CC1 ZINC001567884424 1124156843 /nfs/dbraw/zinc/15/68/43/1124156843.db2.gz JTKSVNWTBJQWOC-IBGZPJMESA-N 1 3 331.504 2.269 10 30 EEEEHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000595944693 469094083 /nfs/dbraw/zinc/09/40/83/469094083.db2.gz IVWLWQQQJNXXNM-OALUTQOASA-N 1 3 342.487 2.173 10 30 EEEEHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000595944693 469094089 /nfs/dbraw/zinc/09/40/89/469094089.db2.gz IVWLWQQQJNXXNM-OALUTQOASA-N 1 3 342.487 2.173 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000573561692 469162406 /nfs/dbraw/zinc/16/24/06/469162406.db2.gz GIPGSCDHKMKSFY-LJQANCHMSA-N 1 3 342.487 2.295 10 30 EEEEHO C#CCN(C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCN(C)CC1 ZINC000914357202 683530316 /nfs/dbraw/zinc/53/03/16/683530316.db2.gz CAVOXIZUIGDPPR-KZNAEPCWSA-N 1 3 348.535 2.092 10 30 EEEEHO CC[NH+]=C(NCC1CCSCC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261978914 691216928 /nfs/dbraw/zinc/21/69/28/691216928.db2.gz OKKZONBBSKKTLM-GDBMZVCRSA-N 1 3 326.554 2.413 10 30 EEEEHO C=C(Br)CNCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485734903 1191914602 /nfs/dbraw/zinc/91/46/02/1191914602.db2.gz DJXDSTAXGUGICC-ZDUSSCGKSA-N 1 3 346.313 2.111 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CC=C(C)C)C2)CC1 ZINC001267093659 1178225480 /nfs/dbraw/zinc/22/54/80/1178225480.db2.gz MXNHBHDSABFDDU-OALUTQOASA-N 1 3 331.504 2.315 10 30 EEEEHO CC(C)[C@H](CNC(=O)CC[NH+](C)C)NCC#Cc1cccc(Cl)c1 ZINC001268215879 1182026636 /nfs/dbraw/zinc/02/66/36/1182026636.db2.gz BVCGVKMGPSRELT-SFHVURJKSA-N 1 3 349.906 2.374 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481985937 1183089059 /nfs/dbraw/zinc/08/90/59/1183089059.db2.gz XMCGPIQEAJCLSJ-HNNXBMFYSA-N 1 3 327.900 2.299 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001268630919 1183556392 /nfs/dbraw/zinc/55/63/92/1183556392.db2.gz SMLLBVJYBWPUPS-VZSQWMKGSA-N 1 3 340.471 2.195 10 30 EEEEHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C ZINC001270569863 1185178443 /nfs/dbraw/zinc/17/84/43/1185178443.db2.gz ZZPZADJWCAKWNF-CRAIPNDOSA-N 1 3 349.906 2.374 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482367421 1185525647 /nfs/dbraw/zinc/52/56/47/1185525647.db2.gz GWVULUIJTDVZQL-IBGZPJMESA-N 1 3 341.499 2.351 10 30 EEEEHO CC1CCN(CC(=O)NC/C=C/C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001483078974 1188439440 /nfs/dbraw/zinc/43/94/40/1188439440.db2.gz UKZVPSBUBGCRLU-NSCUHMNNSA-N 1 3 340.471 2.052 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@@H](C)CCNCc1ccccc1C#N)[NH+](C)C ZINC001273130760 1194414550 /nfs/dbraw/zinc/41/45/50/1194414550.db2.gz DOVUSEFZQVGLAI-MAUKXSAKSA-N 1 3 330.476 2.129 10 30 EEEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(F)c(F)c(F)c1 ZINC000305886494 1217423284 /nfs/dbraw/zinc/42/32/84/1217423284.db2.gz YJCZEIQCGSPFGN-GFCCVEGCSA-N 1 3 328.382 2.035 10 30 EEEEHO C[C@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cc(C#N)ccn1 ZINC000903047447 1239613862 /nfs/dbraw/zinc/61/38/62/1239613862.db2.gz OFOQJDGXAJZVSE-HNNXBMFYSA-N 1 3 328.460 2.495 10 30 EEEEHO CN(C)CCC[N@@H+](C)CCNc1cc(Br)cnc1C#N ZINC000853798093 1292457553 /nfs/dbraw/zinc/45/75/53/1292457553.db2.gz AJWNKHCOTYLGOP-UHFFFAOYSA-N 1 3 340.269 2.011 10 30 EEEEHO CN(C)CCC[N@H+](C)CCNc1cc(Br)cnc1C#N ZINC000853798093 1292457548 /nfs/dbraw/zinc/45/75/48/1292457548.db2.gz AJWNKHCOTYLGOP-UHFFFAOYSA-N 1 3 340.269 2.011 10 30 EEEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001278200709 1306285869 /nfs/dbraw/zinc/28/58/69/1306285869.db2.gz RPLBYVGBEXCSBZ-MRXNPFEDSA-N 1 3 325.472 2.001 10 30 EEEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001156672427 1318152966 /nfs/dbraw/zinc/15/29/66/1318152966.db2.gz NWQQNKZOIWAHDP-IBGZPJMESA-N 1 3 329.488 2.475 10 30 EEEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001156672427 1318152969 /nfs/dbraw/zinc/15/29/69/1318152969.db2.gz NWQQNKZOIWAHDP-IBGZPJMESA-N 1 3 329.488 2.475 10 30 EEEEHO C#CCN1CCC(C2(NC(=O)CCC[NH+]3CCCCC3)CC2)CC1 ZINC001279368198 1323888742 /nfs/dbraw/zinc/88/87/42/1323888742.db2.gz JQWPMWRJTYVGMD-UHFFFAOYSA-N 1 3 331.504 2.247 10 30 EEEEHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001281911904 1325505693 /nfs/dbraw/zinc/50/56/93/1325505693.db2.gz BPJDKNTXCWNRJK-UYAOXDASSA-N 1 3 327.472 2.420 10 30 EEEEHO C=CCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C(F)(F)F ZINC001284364642 1326521690 /nfs/dbraw/zinc/52/16/90/1326521690.db2.gz RMNCEQFYKDKCTE-KGLIPLIRSA-N 1 3 347.425 2.273 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001492021789 1330410531 /nfs/dbraw/zinc/41/05/31/1330410531.db2.gz KGLAQWPTUZNYCR-APWZRJJASA-N 1 3 342.487 2.415 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001492021789 1330410533 /nfs/dbraw/zinc/41/05/33/1330410533.db2.gz KGLAQWPTUZNYCR-APWZRJJASA-N 1 3 342.487 2.415 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCCCC[C@@H](NCC#Cc2ccccc2)C1 ZINC001316775335 1331887873 /nfs/dbraw/zinc/88/78/73/1331887873.db2.gz ZYCLXNWSHXKWLH-HXUWFJFHSA-N 1 3 341.499 2.351 10 30 EEEEHO C#CCN1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001317007815 1332042604 /nfs/dbraw/zinc/04/26/04/1332042604.db2.gz RMFNVCZCURATIH-ZWKOTPCHSA-N 1 3 331.504 2.101 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001317108599 1332083172 /nfs/dbraw/zinc/08/31/72/1332083172.db2.gz CBZLLUGBAUCOAK-HSALFYBXSA-N 1 3 339.483 2.148 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001317108599 1332083173 /nfs/dbraw/zinc/08/31/73/1332083173.db2.gz CBZLLUGBAUCOAK-HSALFYBXSA-N 1 3 339.483 2.148 10 30 EEEEHO CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1cccc(C#N)c1)N(C)C ZINC001660371728 1354450729 /nfs/dbraw/zinc/45/07/29/1354450729.db2.gz FDFZIDVDMJLADI-SFHVURJKSA-N 1 3 330.476 2.083 10 30 EEEEHO CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1cccc(C#N)c1)N(C)C ZINC001660371728 1354450730 /nfs/dbraw/zinc/45/07/30/1354450730.db2.gz FDFZIDVDMJLADI-SFHVURJKSA-N 1 3 330.476 2.083 10 30 EEEEHO CC#CCN1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001661067944 1354584633 /nfs/dbraw/zinc/58/46/33/1354584633.db2.gz CATRISUKPJPEDL-GOSISDBHSA-N 1 3 345.531 2.493 10 30 EEEEHO C#CC[NH+]1CCC2(CCN(C(=O)CN(C)CCCCCC)C2)CC1 ZINC001699694587 1405449183 /nfs/dbraw/zinc/44/91/83/1405449183.db2.gz KPUGOXMHKNKCQJ-UHFFFAOYSA-N 1 3 333.520 2.446 10 30 EEEEHO C=CCC[NH+]1CCC2(CO[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001699775013 1405481253 /nfs/dbraw/zinc/48/12/53/1405481253.db2.gz GJHNSOQTAWCCNG-QGZVFWFLSA-N 1 3 349.519 2.034 10 30 EEEEHO C#CCN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C1CCN(C)CC1 ZINC000914071914 794818969 /nfs/dbraw/zinc/81/89/69/794818969.db2.gz DIXCGFPLMUYJNN-IBGZPJMESA-N 1 3 348.535 2.236 10 30 EEEEHO C#CCN(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CCN(C)CC1 ZINC000914078581 794839231 /nfs/dbraw/zinc/83/92/31/794839231.db2.gz FIXFIVYPDLINIU-QZTJIDSGSA-N 1 3 348.535 2.093 10 30 EEEEHO C#CCN(C(=O)NC[C@@H]1CCCC[N@H+]1CCCC)C1CCN(C)CC1 ZINC000917578911 798286699 /nfs/dbraw/zinc/28/66/99/798286699.db2.gz ZJSJQMSGSYNTOG-IBGZPJMESA-N 1 3 348.535 2.380 10 30 EEEEHO C#CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC)C1CCN(C)CC1 ZINC000917578911 798286703 /nfs/dbraw/zinc/28/67/03/798286703.db2.gz ZJSJQMSGSYNTOG-IBGZPJMESA-N 1 3 348.535 2.380 10 30 EEEEHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001437310239 1089468227 /nfs/dbraw/zinc/46/82/27/1089468227.db2.gz JKPGPROMNOQAHN-YOEHRIQHSA-N 1 3 345.890 2.390 10 30 EEEEHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001438846835 1091483694 /nfs/dbraw/zinc/48/36/94/1091483694.db2.gz HQBICNWOQWYNGS-INIZCTEOSA-N 1 3 336.505 2.190 10 30 EEEEHO CC#CCN1CCC2(C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001479501519 1098568992 /nfs/dbraw/zinc/56/89/92/1098568992.db2.gz CWVSJSINZATFEU-SFHVURJKSA-N 1 3 333.520 2.445 10 30 EEEEHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCC#Cc1cccc(Cl)c1 ZINC001495048013 1104685860 /nfs/dbraw/zinc/68/58/60/1104685860.db2.gz BFXXLRXQVIDQRM-KRWDZBQOSA-N 1 3 335.879 2.128 10 30 EEEEHO C=C(Br)CNCCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001498552074 1107708224 /nfs/dbraw/zinc/70/82/24/1107708224.db2.gz NIWVBZCFFUKSHG-AWEZNQCLSA-N 1 3 346.313 2.206 10 30 EEEEHO C=C(Br)CNCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001498552074 1107708236 /nfs/dbraw/zinc/70/82/36/1107708236.db2.gz NIWVBZCFFUKSHG-AWEZNQCLSA-N 1 3 346.313 2.206 10 30 EEEEHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001467727533 1110462471 /nfs/dbraw/zinc/46/24/71/1110462471.db2.gz KIGBMOOKLBJZCZ-LJQANCHMSA-N 1 3 344.503 2.260 10 30 EEEEHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001467727533 1110462472 /nfs/dbraw/zinc/46/24/72/1110462472.db2.gz KIGBMOOKLBJZCZ-LJQANCHMSA-N 1 3 344.503 2.260 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001505921924 1114277963 /nfs/dbraw/zinc/27/79/63/1114277963.db2.gz CCHUWTKNBDHZNO-ZYSHUDEJSA-N 1 3 342.487 2.225 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)N(C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001505921924 1114277966 /nfs/dbraw/zinc/27/79/66/1114277966.db2.gz CCHUWTKNBDHZNO-ZYSHUDEJSA-N 1 3 342.487 2.225 10 30 EEEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001506506569 1114658481 /nfs/dbraw/zinc/65/84/81/1114658481.db2.gz YXKYJWHDGFQYNC-INIZCTEOSA-N 1 3 339.911 2.489 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC001568993706 1125027049 /nfs/dbraw/zinc/02/70/49/1125027049.db2.gz OUOYUUBKFDRYHM-AYOQOUSVSA-N 1 3 345.462 2.002 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC001568993706 1125027058 /nfs/dbraw/zinc/02/70/58/1125027058.db2.gz OUOYUUBKFDRYHM-AYOQOUSVSA-N 1 3 345.462 2.002 10 30 EEEEHO CN(C)CC1CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000564852985 319118347 /nfs/dbraw/zinc/11/83/47/319118347.db2.gz WFNHYMMLZNGXPI-UHFFFAOYSA-N 1 3 349.500 2.042 10 30 EEEEHO C#CC1(O)CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000895379645 684562873 /nfs/dbraw/zinc/56/28/73/684562873.db2.gz MFBVVCLBDODTLY-UHFFFAOYSA-N 1 3 328.456 2.121 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]Cc2ccccc2C)CC1 ZINC001267155496 1178339166 /nfs/dbraw/zinc/33/91/66/1178339166.db2.gz RJXWGCUBYYKYIJ-GOSISDBHSA-N 1 3 341.499 2.325 10 30 EEEEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001481461424 1181451115 /nfs/dbraw/zinc/45/11/15/1181451115.db2.gz CDXUWIXLHGFKCA-HXUWFJFHSA-N 1 3 341.499 2.207 10 30 EEEEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001481461424 1181451120 /nfs/dbraw/zinc/45/11/20/1181451120.db2.gz CDXUWIXLHGFKCA-HXUWFJFHSA-N 1 3 341.499 2.207 10 30 EEEEHO C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)C1(N(C)C)CCC1 ZINC001268369079 1182356198 /nfs/dbraw/zinc/35/61/98/1182356198.db2.gz QTQQNGNFBMQNRP-OAHLLOKOSA-N 1 3 328.460 2.027 10 30 EEEEHO C#CCC[NH+]1CC2(C1)CCN(C(=O)CN(C)CCCCCC)CC2 ZINC001270864098 1185531516 /nfs/dbraw/zinc/53/15/16/1185531516.db2.gz PEGWQYXMVAGDHJ-UHFFFAOYSA-N 1 3 333.520 2.446 10 30 EEEEHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)CC[C@@H]21 ZINC001482663139 1187507103 /nfs/dbraw/zinc/50/71/03/1187507103.db2.gz OKAZWEXIUQHMGG-MOPGFXCFSA-N 1 3 333.520 2.445 10 30 EEEEHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)CC[C@@H]21 ZINC001482663139 1187507106 /nfs/dbraw/zinc/50/71/06/1187507106.db2.gz OKAZWEXIUQHMGG-MOPGFXCFSA-N 1 3 333.520 2.445 10 30 EEEEHO C=CCCC[NH+]1CCC2(CC1)CN(C(=O)CN(C)C1CCC1)CCO2 ZINC001274863582 1205192138 /nfs/dbraw/zinc/19/21/38/1205192138.db2.gz YLRIFPLCLXHUBH-UHFFFAOYSA-N 1 3 349.519 2.130 10 30 EEEEHO C[NH+]=C(NCc1ccon1)NC[C@H]1CCCN1CCc1ccccc1 ZINC000095974952 1215640659 /nfs/dbraw/zinc/64/06/59/1215640659.db2.gz JMNHYXFXVFPSGP-GOSISDBHSA-N 1 3 341.459 2.047 10 30 EEEEHO Cc1c(C[C@H](C[NH3+])CNC(C)(C)c2cccc(C#N)c2)cnn1C ZINC000903932504 1242557127 /nfs/dbraw/zinc/55/71/27/1242557127.db2.gz CPXYVNOAHGWMKY-MRXNPFEDSA-N 1 3 325.460 2.243 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001491081043 1258646978 /nfs/dbraw/zinc/64/69/78/1258646978.db2.gz WDFIOQVEPQGSHH-HDICACEKSA-N 1 3 333.520 2.395 10 30 EEEEHO C=CCOCCN1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001278516178 1317083017 /nfs/dbraw/zinc/08/30/17/1317083017.db2.gz OWXVSTVIPFWKFR-QZTJIDSGSA-N 1 3 349.519 2.034 10 30 EEEEHO C#CCN1CCC(C(=O)NC2CCC([NH2+]C[C@@H](F)CC)CC2)CC1 ZINC001265744663 1323361507 /nfs/dbraw/zinc/36/15/07/1323361507.db2.gz QMGORGANZJHORG-AOCRQIFASA-N 1 3 337.483 2.097 10 30 EEEEHO C#CCN[C@H](C)c1ccc(CNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001280357405 1324171195 /nfs/dbraw/zinc/17/11/95/1324171195.db2.gz YUCREZSKSXHSID-QGZVFWFLSA-N 1 3 327.472 2.463 10 30 EEEEHO C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]21 ZINC001284095206 1326404319 /nfs/dbraw/zinc/40/43/19/1326404319.db2.gz DQRYCSPQQMLUGW-KZNAEPCWSA-N 1 3 333.520 2.204 10 30 EEEEHO CC[C@@H](C(=O)NC[C@H](C)NCC#Cc1ccccc1)[NH+](CC)CC ZINC001317262351 1332157266 /nfs/dbraw/zinc/15/72/66/1332157266.db2.gz CEIHIKJKZMNIBD-HKUYNNGSSA-N 1 3 329.488 2.253 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001317295413 1332168058 /nfs/dbraw/zinc/16/80/58/1332168058.db2.gz XUCDFKUBLYLRMQ-QGZVFWFLSA-N 1 3 331.504 2.316 10 30 EEEEHO CC[C@H](C(=O)N[C@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1)N(C)C ZINC001318727327 1332583907 /nfs/dbraw/zinc/58/39/07/1332583907.db2.gz DMUHDQDVNQJKHS-TZIWHRDSSA-N 1 3 341.499 2.253 10 30 EEEEHO CCN(CCNCc1cccc(C#N)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001320755420 1332945969 /nfs/dbraw/zinc/94/59/69/1332945969.db2.gz JAYUFKMICPGWSN-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO CCN(CCNCc1cccc(C#N)c1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001320755420 1332945971 /nfs/dbraw/zinc/94/59/71/1332945971.db2.gz JAYUFKMICPGWSN-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO CCCN(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001325453965 1333889425 /nfs/dbraw/zinc/88/94/25/1333889425.db2.gz COHCAYHCEPQPRG-AZUAARDMSA-N 1 3 341.499 2.207 10 30 EEEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001326467125 1334099317 /nfs/dbraw/zinc/09/93/17/1334099317.db2.gz FJSQZIKVQUMJHE-FRQCXROJSA-N 1 3 327.472 2.317 10 30 EEEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001326467125 1334099322 /nfs/dbraw/zinc/09/93/22/1334099322.db2.gz FJSQZIKVQUMJHE-FRQCXROJSA-N 1 3 327.472 2.317 10 30 EEEEHO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001668214023 1355900998 /nfs/dbraw/zinc/90/09/98/1355900998.db2.gz HMHXOLVVWGKALA-XJKSGUPXSA-N 1 3 333.879 2.436 10 30 EEEEHO CCCN(C)CC(=O)NC1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001566991154 1342674648 /nfs/dbraw/zinc/67/46/48/1342674648.db2.gz KGMVAMXZSMCBJO-UHFFFAOYSA-N 1 3 341.499 2.397 10 30 EEEEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001436420021 1087780139 /nfs/dbraw/zinc/78/01/39/1087780139.db2.gz CMULTFKFIRTQIE-QFBILLFUSA-N 1 3 342.487 2.275 10 30 EEEEHO C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCc1ccc(C#N)s1 ZINC001437212969 1089291561 /nfs/dbraw/zinc/29/15/61/1089291561.db2.gz IAUAAKBDSWXACN-GJZGRUSLSA-N 1 3 348.516 2.479 10 30 EEEEHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccc(C#N)c(F)c1 ZINC001441858972 1095958219 /nfs/dbraw/zinc/95/82/19/1095958219.db2.gz JSWODMZVJCHGLY-PBHICJAKSA-N 1 3 346.450 2.166 10 30 EEEEHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccc(C#N)c(F)c1 ZINC001441858972 1095958226 /nfs/dbraw/zinc/95/82/26/1095958226.db2.gz JSWODMZVJCHGLY-PBHICJAKSA-N 1 3 346.450 2.166 10 30 EEEEHO C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCCC3)C(C)(C)[C@@H]21 ZINC001479610215 1098630783 /nfs/dbraw/zinc/63/07/83/1098630783.db2.gz BYIDIZGCSOZBDG-MISYRCLQSA-N 1 3 345.531 2.491 10 30 EEEEHO CC[C@@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001494984686 1104629815 /nfs/dbraw/zinc/62/98/15/1104629815.db2.gz JYBNTQBZVBKDJI-RBUKOAKNSA-N 1 3 342.487 2.415 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCC=C)C2)CC1 ZINC001480709878 1106931190 /nfs/dbraw/zinc/93/11/90/1106931190.db2.gz MUORRGFECTVZHE-RBUKOAKNSA-N 1 3 331.504 2.315 10 30 EEEEHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]CC#Cc1ccccc1 ZINC001480769758 1107081369 /nfs/dbraw/zinc/08/13/69/1107081369.db2.gz BYMILYOWUNMHMZ-QGZVFWFLSA-N 1 3 327.472 2.007 10 30 EEEEHO CN(CCCNCc1ccccc1C#N)C(=O)CC[NH+]1CCCCC1 ZINC001498656892 1107907920 /nfs/dbraw/zinc/90/79/20/1107907920.db2.gz DOTVNAWETBLVJA-UHFFFAOYSA-N 1 3 342.487 2.372 10 30 EEEEHO C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001506548515 1114690427 /nfs/dbraw/zinc/69/04/27/1114690427.db2.gz JKPNVRJBDXXOQC-YJBOKZPZSA-N 1 3 325.472 2.097 10 30 EEEEHO Cc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1C#N ZINC000599338349 469216744 /nfs/dbraw/zinc/21/67/44/469216744.db2.gz AMGUJNQDULFQOO-YLJYHZDGSA-N 1 3 326.488 2.325 10 30 EEEEHO Cc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1C#N ZINC000599338349 469216747 /nfs/dbraw/zinc/21/67/47/469216747.db2.gz AMGUJNQDULFQOO-YLJYHZDGSA-N 1 3 326.488 2.325 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC=C(C)C)C2)CC1 ZINC001267093661 1178225383 /nfs/dbraw/zinc/22/53/83/1178225383.db2.gz MXNHBHDSABFDDU-RBUKOAKNSA-N 1 3 331.504 2.315 10 30 EEEEHO CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1ccc(C#N)s1 ZINC001267498996 1179187486 /nfs/dbraw/zinc/18/74/86/1179187486.db2.gz GZTIALMLFDJJAF-KRWDZBQOSA-N 1 3 348.516 2.431 10 30 EEEEHO CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1ccc(C#N)s1 ZINC001267498996 1179187492 /nfs/dbraw/zinc/18/74/92/1179187492.db2.gz GZTIALMLFDJJAF-KRWDZBQOSA-N 1 3 348.516 2.431 10 30 EEEEHO C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)CCC[NH+]1CCCC1 ZINC001268673039 1183598638 /nfs/dbraw/zinc/59/86/38/1183598638.db2.gz AAFRKIHSFIBGOL-QGZVFWFLSA-N 1 3 345.462 2.148 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001268695322 1183617345 /nfs/dbraw/zinc/61/73/45/1183617345.db2.gz ZQQSOQHDEIIGES-AZUAARDMSA-N 1 3 341.499 2.253 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001268695322 1183617347 /nfs/dbraw/zinc/61/73/47/1183617347.db2.gz ZQQSOQHDEIIGES-AZUAARDMSA-N 1 3 341.499 2.253 10 30 EEEEHO CC#CC[N@H+]1CC[C@H]2CN(C(=O)CN(C)CCCCCC)CC[C@H]21 ZINC001482663143 1187506987 /nfs/dbraw/zinc/50/69/87/1187506987.db2.gz OKAZWEXIUQHMGG-RBUKOAKNSA-N 1 3 333.520 2.445 10 30 EEEEHO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)CN(C)CCCCCC)CC[C@H]21 ZINC001482663143 1187506990 /nfs/dbraw/zinc/50/69/90/1187506990.db2.gz OKAZWEXIUQHMGG-RBUKOAKNSA-N 1 3 333.520 2.445 10 30 EEEEHO C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001485044374 1191624296 /nfs/dbraw/zinc/62/42/96/1191624296.db2.gz YCHMKEQKUVXHBL-RTBURBONSA-N 1 3 337.467 2.010 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)NC(=O)CCCC[NH+]1CCCC1 ZINC001275045320 1205242206 /nfs/dbraw/zinc/24/22/06/1205242206.db2.gz GXHOEYCLKSIODK-LJQANCHMSA-N 1 3 341.499 2.399 10 30 EEEEHO CC1(C)[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)[C@@H]2CCCN[C@@H]21 ZINC000925610018 1206135451 /nfs/dbraw/zinc/13/54/51/1206135451.db2.gz YCGZCBFZQRADOI-NZSAHSFTSA-N 1 3 339.487 2.288 10 30 EEEEHO CN1CCC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000852869643 1292222136 /nfs/dbraw/zinc/22/21/36/1292222136.db2.gz DBTWSEBKGXNRMN-LPHOPBHVSA-N 1 3 345.512 2.250 10 30 EEEEHO CC[C@H](C(=O)NC1CCC([NH2+]CC#Cc2ccccc2)CC1)N(C)C ZINC001265735940 1323356140 /nfs/dbraw/zinc/35/61/40/1323356140.db2.gz AJCWVPBWXVFWHQ-SOAGJPPSSA-N 1 3 341.499 2.395 10 30 EEEEHO C[C@@H](CCCNCc1ccc(C#N)cc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676018866 1357090616 /nfs/dbraw/zinc/09/06/16/1357090616.db2.gz VASZGCRGNKFFLU-YOEHRIQHSA-N 1 3 346.450 2.024 10 30 EEEEHO C[C@@H](CCCNCc1ccc(C#N)cc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001676018866 1357090619 /nfs/dbraw/zinc/09/06/19/1357090619.db2.gz VASZGCRGNKFFLU-YOEHRIQHSA-N 1 3 346.450 2.024 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001664309168 1355135075 /nfs/dbraw/zinc/13/50/75/1355135075.db2.gz HXCYFYCPZSSBEP-RBUKOAKNSA-N 1 3 342.487 2.227 10 30 EEEEHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCC#Cc1ccccc1Cl ZINC001665839353 1355398189 /nfs/dbraw/zinc/39/81/89/1355398189.db2.gz NUYCKRIFAZLECQ-INIZCTEOSA-N 1 3 335.879 2.128 10 30 EEEEHO CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001667107775 1355649086 /nfs/dbraw/zinc/64/90/86/1355649086.db2.gz HGGNAGXHVWNODM-VQIMIIECSA-N 1 3 339.499 2.343 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2ccccc2F)CC1 ZINC001668319846 1355922862 /nfs/dbraw/zinc/92/28/62/1355922862.db2.gz LRWVSWPYZWEVBO-INIZCTEOSA-N 1 3 345.462 2.155 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001669481912 1356164469 /nfs/dbraw/zinc/16/44/69/1356164469.db2.gz BAKZCAVQWJMNBA-QGZVFWFLSA-N 1 3 345.531 2.396 10 30 EEEEHO C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)NCc1ccc(C#N)s1 ZINC001437212971 1089293025 /nfs/dbraw/zinc/29/30/25/1089293025.db2.gz IAUAAKBDSWXACN-HUUCEWRRSA-N 1 3 348.516 2.479 10 30 EEEEHO C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001441341583 1094840204 /nfs/dbraw/zinc/84/02/04/1094840204.db2.gz PTWDPCLZRYWBKA-XHSDSOJGSA-N 1 3 327.900 2.297 10 30 EEEEHO C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001441341583 1094840226 /nfs/dbraw/zinc/84/02/26/1094840226.db2.gz PTWDPCLZRYWBKA-XHSDSOJGSA-N 1 3 327.900 2.297 10 30 EEEEHO C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001479597606 1098625344 /nfs/dbraw/zinc/62/53/44/1098625344.db2.gz PBYQOPHCKCKBOK-GUDVDZBRSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC)CC2CC(C)C2)CC1 ZINC001479861347 1099174250 /nfs/dbraw/zinc/17/42/50/1099174250.db2.gz ODRPIWYCLUTRLO-UHFFFAOYSA-N 1 3 333.520 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@H+](CC)CC2CC(C)C2)CC1 ZINC001479861347 1099174251 /nfs/dbraw/zinc/17/42/51/1099174251.db2.gz ODRPIWYCLUTRLO-UHFFFAOYSA-N 1 3 333.520 2.206 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccc(F)c(C#N)c2)CC[N@@H+]1C ZINC001480463739 1100269296 /nfs/dbraw/zinc/26/92/96/1100269296.db2.gz HBONPILLANVACC-RPVQJOFSSA-N 1 3 346.450 2.022 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC001480463739 1100269301 /nfs/dbraw/zinc/26/93/01/1100269301.db2.gz HBONPILLANVACC-RPVQJOFSSA-N 1 3 346.450 2.022 10 30 EEEEHO CCCN(C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480805083 1107148065 /nfs/dbraw/zinc/14/80/65/1107148065.db2.gz DUORSGQMIBCTFY-INIZCTEOSA-N 1 3 333.451 2.003 10 30 EEEEHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001505833247 1114221626 /nfs/dbraw/zinc/22/16/26/1114221626.db2.gz AHSNWDSZLWKEEM-LJQANCHMSA-N 1 3 339.499 2.296 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001507427837 1115263106 /nfs/dbraw/zinc/26/31/06/1115263106.db2.gz LSTYDAMPYNFUIS-HUUCEWRRSA-N 1 3 348.516 2.334 10 30 EEEEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594438653 468587397 /nfs/dbraw/zinc/58/73/97/468587397.db2.gz PHLPYIJAQNJHMS-NZSAHSFTSA-N 1 3 342.487 2.424 10 30 EEEEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594438653 468587402 /nfs/dbraw/zinc/58/74/02/468587402.db2.gz PHLPYIJAQNJHMS-NZSAHSFTSA-N 1 3 342.487 2.424 10 30 EEEEHO C=CC[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2)CC1 ZINC000659034583 471477581 /nfs/dbraw/zinc/47/75/81/471477581.db2.gz OSESFEZAKZQWME-SFHVURJKSA-N 1 3 344.459 2.119 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CC2CCC2)CC1 ZINC001671491465 1176835214 /nfs/dbraw/zinc/83/52/14/1176835214.db2.gz BUUKSFIVXAKKGI-QGZVFWFLSA-N 1 3 331.504 2.055 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CCC)CC2CCCC2)CC1 ZINC001691197954 1177702173 /nfs/dbraw/zinc/70/21/73/1177702173.db2.gz AOZDIWXARYYRMR-UHFFFAOYSA-N 1 3 333.520 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CCC)CC2CCCC2)CC1 ZINC001691197954 1177702178 /nfs/dbraw/zinc/70/21/78/1177702178.db2.gz AOZDIWXARYYRMR-UHFFFAOYSA-N 1 3 333.520 2.350 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001267116736 1178280112 /nfs/dbraw/zinc/28/01/12/1178280112.db2.gz GPAMJSYRORQVCN-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO C=CC[N@H+]1CC[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267565147 1179371924 /nfs/dbraw/zinc/37/19/24/1179371924.db2.gz JOJFFSXVUJTGHN-YJBOKZPZSA-N 1 3 325.472 2.213 10 30 EEEEHO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267565147 1179371931 /nfs/dbraw/zinc/37/19/31/1179371931.db2.gz JOJFFSXVUJTGHN-YJBOKZPZSA-N 1 3 325.472 2.213 10 30 EEEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001268138901 1181798696 /nfs/dbraw/zinc/79/86/96/1181798696.db2.gz AQAHQBNWYUBPPE-QFBILLFUSA-N 1 3 327.472 2.212 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]Cc2ccc(F)cc2)CC1 ZINC001481882630 1182868671 /nfs/dbraw/zinc/86/86/71/1182868671.db2.gz TUHSQSILGKGGEL-LJQANCHMSA-N 1 3 345.462 2.155 10 30 EEEEHO C#CCN1CCC([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001271438171 1186224231 /nfs/dbraw/zinc/22/42/31/1186224231.db2.gz LPNXJZJAROYQQC-IBGZPJMESA-N 1 3 333.520 2.302 10 30 EEEEHO C=C(Br)C[NH2+][C@H](CCNC(=O)[C@H]1CCCN1C)C(C)C ZINC001410269688 1197650669 /nfs/dbraw/zinc/65/06/69/1197650669.db2.gz NTTYXGSBRTVUSE-ZIAGYGMSSA-N 1 3 346.313 2.110 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000876764076 1199763838 /nfs/dbraw/zinc/76/38/38/1199763838.db2.gz NRNSUDAELRFCEQ-HNNXBMFYSA-N 1 3 325.840 2.426 10 30 EEEEHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC#Cc1ccccc1Cl ZINC001274252472 1204977726 /nfs/dbraw/zinc/97/77/26/1204977726.db2.gz VKNUKLOINYHHPZ-QAPCUYQASA-N 1 3 347.890 2.080 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001274878476 1205199435 /nfs/dbraw/zinc/19/94/35/1205199435.db2.gz YPGPNMDDDBYASW-QGZVFWFLSA-N 1 3 327.472 2.007 10 30 EEEEHO C#CCN(C(=O)NC1CCC(C)([NH+]2CCC2)CC1)C1CCN(C)CC1 ZINC000927302728 1206251739 /nfs/dbraw/zinc/25/17/39/1206251739.db2.gz DKDCTNQAYOVTIP-UHFFFAOYSA-N 1 3 346.519 2.132 10 30 EEEEHO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)CN(CC)CC)C2 ZINC001278336024 1309552654 /nfs/dbraw/zinc/55/26/54/1309552654.db2.gz OBPLCLLYGJOQMO-HKUYNNGSSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)CN(CC)CC)C2 ZINC001278336024 1309552658 /nfs/dbraw/zinc/55/26/58/1309552658.db2.gz OBPLCLLYGJOQMO-HKUYNNGSSA-N 1 3 337.483 2.004 10 30 EEEEHO C[NH+](C)CCCC(=O)N1CC[C@H](CCNCc2ccccc2C#N)C1 ZINC001280172118 1324102717 /nfs/dbraw/zinc/10/27/17/1324102717.db2.gz CCFWQCSWWOPQAX-KRWDZBQOSA-N 1 3 342.487 2.228 10 30 EEEEHO C=CCOCCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001316933385 1331999325 /nfs/dbraw/zinc/99/93/25/1331999325.db2.gz JNCNZRJQKSKDLM-RTBURBONSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCOCCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001316933385 1331999327 /nfs/dbraw/zinc/99/93/27/1331999327.db2.gz JNCNZRJQKSKDLM-RTBURBONSA-N 1 3 349.519 2.129 10 30 EEEEHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC#Cc1ccccc1 ZINC001317395180 1332212659 /nfs/dbraw/zinc/21/26/59/1332212659.db2.gz FWDUZXWIZIRCTF-QGZVFWFLSA-N 1 3 327.472 2.007 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2CCCF)CC1 ZINC001317436665 1332240151 /nfs/dbraw/zinc/24/01/51/1332240151.db2.gz XLNPCCBQXGGOAQ-SFHVURJKSA-N 1 3 337.483 2.052 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CCCF)CC1 ZINC001317436665 1332240153 /nfs/dbraw/zinc/24/01/53/1332240153.db2.gz XLNPCCBQXGGOAQ-SFHVURJKSA-N 1 3 337.483 2.052 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001319285045 1332675438 /nfs/dbraw/zinc/67/54/38/1332675438.db2.gz JHUASRGGUNLPBF-QGZVFWFLSA-N 1 3 345.531 2.254 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001319562519 1332721850 /nfs/dbraw/zinc/72/18/50/1332721850.db2.gz LDBQHOISZZXHIT-QGZVFWFLSA-N 1 3 347.478 2.346 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001319562519 1332721852 /nfs/dbraw/zinc/72/18/52/1332721852.db2.gz LDBQHOISZZXHIT-QGZVFWFLSA-N 1 3 347.478 2.346 10 30 EEEEHO CC[C@@H](C(=O)N(C)CCC[NH2+]CC#Cc1cccc(Cl)c1)N(C)C ZINC001322700875 1333310308 /nfs/dbraw/zinc/31/03/08/1333310308.db2.gz QGBPOYJWCQRCGF-SFHVURJKSA-N 1 3 349.906 2.470 10 30 EEEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001326488919 1334103020 /nfs/dbraw/zinc/10/30/20/1334103020.db2.gz CIYDAUOODJITET-INIZCTEOSA-N 1 3 325.456 2.073 10 30 EEEEHO C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001566689852 1342603642 /nfs/dbraw/zinc/60/36/42/1342603642.db2.gz WBESLNYKRONAST-QZTJIDSGSA-N 1 3 349.519 2.033 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)CCC[NH2+]CC2CCCC2)CC1 ZINC001676024929 1357091605 /nfs/dbraw/zinc/09/16/05/1357091605.db2.gz ZZXWIXNZZAFOQN-KRWDZBQOSA-N 1 3 333.520 2.396 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001663013924 1354887967 /nfs/dbraw/zinc/88/79/67/1354887967.db2.gz ICCYOVSOHKVOBD-KRWDZBQOSA-N 1 3 345.531 2.396 10 30 EEEEHO CCN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCCCN1C ZINC001668468452 1355946318 /nfs/dbraw/zinc/94/63/18/1355946318.db2.gz ANQBCTRZRMDFTD-GOSISDBHSA-N 1 3 346.450 2.120 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC#Cc1ccccc1Cl ZINC001671342411 1356330600 /nfs/dbraw/zinc/33/06/00/1356330600.db2.gz JVNYSVWRSAOSJQ-QGZVFWFLSA-N 1 3 347.890 2.224 10 30 EEEEHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccc(F)c(C#N)c1 ZINC001437169992 1089192069 /nfs/dbraw/zinc/19/20/69/1089192069.db2.gz WGMVWULKVWAKQN-PBHICJAKSA-N 1 3 346.450 2.166 10 30 EEEEHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccc(F)c(C#N)c1 ZINC001437169992 1089192074 /nfs/dbraw/zinc/19/20/74/1089192074.db2.gz WGMVWULKVWAKQN-PBHICJAKSA-N 1 3 346.450 2.166 10 30 EEEEHO CCCC[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441144642 1094481537 /nfs/dbraw/zinc/48/15/37/1094481537.db2.gz ZQFLXCSCRYTONO-LSDHHAIUSA-N 1 3 348.516 2.336 10 30 EEEEHO CCCC[C@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441144642 1094481543 /nfs/dbraw/zinc/48/15/43/1094481543.db2.gz ZQFLXCSCRYTONO-LSDHHAIUSA-N 1 3 348.516 2.336 10 30 EEEEHO C[NH+](C)CCC(=O)NC[C@@H](NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC001480045369 1099549095 /nfs/dbraw/zinc/54/90/95/1099549095.db2.gz WNAZRAQWWBTBBA-GOSISDBHSA-N 1 3 347.890 2.128 10 30 EEEEHO C#CCCN[C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001493900293 1103079463 /nfs/dbraw/zinc/07/94/63/1103079463.db2.gz WEEYRENNCMYWJH-LJQANCHMSA-N 1 3 327.472 2.189 10 30 EEEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001501679260 1113430831 /nfs/dbraw/zinc/43/08/31/1113430831.db2.gz NKNKMZYPCKOFOO-MRXNPFEDSA-N 1 3 327.472 2.319 10 30 EEEEHO C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001505677246 1114125637 /nfs/dbraw/zinc/12/56/37/1114125637.db2.gz FWOUDOYGOCSSBT-ZIAGYGMSSA-N 1 3 334.439 2.022 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCC2CC2)CC1 ZINC001568545447 1124604780 /nfs/dbraw/zinc/60/47/80/1124604780.db2.gz QEXAHMUZWSJKKR-RTBURBONSA-N 1 3 331.504 2.006 10 30 EEEEHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000417066710 466768907 /nfs/dbraw/zinc/76/89/07/466768907.db2.gz QZRLUGVTHJJCDK-ICSRJNTNSA-N 1 3 348.535 2.470 10 30 EEEEHO N#CC1(C[C@H](O)CNC2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000600731394 468639683 /nfs/dbraw/zinc/63/96/83/468639683.db2.gz WQRHPEMNKKDLLM-SFHVURJKSA-N 1 3 335.492 2.054 10 30 EEEEHO N#CC1(C[C@H](O)C[NH2+]C2CCN(C3CCCC3)CC2)CCOCC1 ZINC000600731394 468639687 /nfs/dbraw/zinc/63/96/87/468639687.db2.gz WQRHPEMNKKDLLM-SFHVURJKSA-N 1 3 335.492 2.054 10 30 EEEEHO C[C@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]CC#Cc1ccccc1Cl ZINC001267123962 1178291196 /nfs/dbraw/zinc/29/11/96/1178291196.db2.gz ZGXDIXLMDDJNEA-QAPCUYQASA-N 1 3 347.890 2.270 10 30 EEEEHO CC(C)[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCC#Cc1ccccc1 ZINC001268224666 1182036437 /nfs/dbraw/zinc/03/64/37/1182036437.db2.gz VJMYYFCGZBYVRE-PMACEKPBSA-N 1 3 343.515 2.355 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001482172032 1183498471 /nfs/dbraw/zinc/49/84/71/1183498471.db2.gz MOXXBGSVZQWISK-INIZCTEOSA-N 1 3 345.462 2.013 10 30 EEEEHO C=C(C)C[N@@H+](CCOC)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001269643906 1184468033 /nfs/dbraw/zinc/46/80/33/1184468033.db2.gz CHWCKACNFYUFPT-GOSISDBHSA-N 1 3 339.524 2.088 10 30 EEEEHO C=C(C)C[N@H+](CCOC)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001269643906 1184468034 /nfs/dbraw/zinc/46/80/34/1184468034.db2.gz CHWCKACNFYUFPT-GOSISDBHSA-N 1 3 339.524 2.088 10 30 EEEEHO C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001482698697 1187668096 /nfs/dbraw/zinc/66/80/96/1187668096.db2.gz RPFQAXBAAPOYBM-RTBURBONSA-N 1 3 327.472 2.260 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccc(F)cc2C)CC1 ZINC001483198359 1189093887 /nfs/dbraw/zinc/09/38/87/1189093887.db2.gz QHZPITIOCYKVPC-MRXNPFEDSA-N 1 3 345.462 2.074 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001483261576 1190286895 /nfs/dbraw/zinc/28/68/95/1190286895.db2.gz DUFMJCZIERDQCX-HNNXBMFYSA-N 1 3 347.890 2.128 10 30 EEEEHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001485159456 1191674098 /nfs/dbraw/zinc/67/40/98/1191674098.db2.gz XLKYOWQUTDIOJM-HOTGVXAUSA-N 1 3 345.462 2.144 10 30 EEEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000876709042 1199732922 /nfs/dbraw/zinc/73/29/22/1199732922.db2.gz HSXYSEOYOZLWJJ-CHWSQXEVSA-N 1 3 327.881 2.471 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000876735641 1199747929 /nfs/dbraw/zinc/74/79/29/1199747929.db2.gz ALMKUAGHVOYDEW-KRWDZBQOSA-N 1 3 335.879 2.485 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 ZINC000901251219 1235444364 /nfs/dbraw/zinc/44/43/64/1235444364.db2.gz FQSCHQFFQIXCSW-UHFFFAOYSA-N 1 3 331.460 2.090 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)N[C@@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000901280697 1235471797 /nfs/dbraw/zinc/47/17/97/1235471797.db2.gz SZDACCKDWKRZEU-IBGZPJMESA-N 1 3 345.487 2.456 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC#Cc1ccc(Cl)cc1 ZINC001277932546 1305159570 /nfs/dbraw/zinc/15/95/70/1305159570.db2.gz ILHIFJSDSWLYOE-SFHVURJKSA-N 1 3 347.890 2.224 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001278451927 1310326582 /nfs/dbraw/zinc/32/65/82/1310326582.db2.gz YYILEXIGMXFTTE-YLJYHZDGSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001278451927 1310326589 /nfs/dbraw/zinc/32/65/89/1310326589.db2.gz YYILEXIGMXFTTE-YLJYHZDGSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(CC)CC)C2)CC1 ZINC001264411839 1322693860 /nfs/dbraw/zinc/69/38/60/1322693860.db2.gz QPQPLKBEWZRSBE-IZAXUBKRSA-N 1 3 333.520 2.252 10 30 EEEEHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001265565362 1323222550 /nfs/dbraw/zinc/22/25/50/1323222550.db2.gz OABBRJXBQXAVBF-HDICACEKSA-N 1 3 347.890 2.270 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001265565362 1323222557 /nfs/dbraw/zinc/22/25/57/1323222557.db2.gz OABBRJXBQXAVBF-HDICACEKSA-N 1 3 347.890 2.270 10 30 EEEEHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266074629 1323630363 /nfs/dbraw/zinc/63/03/63/1323630363.db2.gz CAFKOOBFXZGZNT-VQTJNVASSA-N 1 3 341.499 2.397 10 30 EEEEHO CC#CCN1CC([C@H](C)NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001282739186 1325776678 /nfs/dbraw/zinc/77/66/78/1325776678.db2.gz SMVFIOIVJCJGLS-LPHOPBHVSA-N 1 3 327.472 2.139 10 30 EEEEHO CC#CCN1CC([C@H](C)NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001282739186 1325776679 /nfs/dbraw/zinc/77/66/79/1325776679.db2.gz SMVFIOIVJCJGLS-LPHOPBHVSA-N 1 3 327.472 2.139 10 30 EEEEHO C=CCCC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C(F)(F)F ZINC001284738382 1326690228 /nfs/dbraw/zinc/69/02/28/1326690228.db2.gz YHPSSJPMFXFUGG-KBPBESRZSA-N 1 3 344.381 2.287 10 30 EEEEHO CC(C)[NH+]1CCC(C(=O)N(C)CCNCc2ccc(C#N)s2)CC1 ZINC001317646577 1332346243 /nfs/dbraw/zinc/34/62/43/1332346243.db2.gz MVTPQTIPMYTYLZ-UHFFFAOYSA-N 1 3 348.516 2.288 10 30 EEEEHO CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)N(C)C ZINC001317810147 1332416181 /nfs/dbraw/zinc/41/61/81/1332416181.db2.gz YKBZICGTCPZMHV-WOJBJXKFSA-N 1 3 341.499 2.207 10 30 EEEEHO CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)N(C)C ZINC001317810147 1332416185 /nfs/dbraw/zinc/41/61/85/1332416185.db2.gz YKBZICGTCPZMHV-WOJBJXKFSA-N 1 3 341.499 2.207 10 30 EEEEHO C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001319867859 1332788964 /nfs/dbraw/zinc/78/89/64/1332788964.db2.gz HAUFOEKRCSMMJX-LPHOPBHVSA-N 1 3 327.472 2.212 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC#Cc2ccccc2)CC[N@@H+]1C ZINC001331456190 1335017057 /nfs/dbraw/zinc/01/70/57/1335017057.db2.gz SJJMVWKPGRNNCF-YZGWKJHDSA-N 1 3 341.499 2.205 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)NCC#Cc2ccccc2)CC[N@H+]1C ZINC001331456190 1335017060 /nfs/dbraw/zinc/01/70/60/1335017060.db2.gz SJJMVWKPGRNNCF-YZGWKJHDSA-N 1 3 341.499 2.205 10 30 EEEEHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@@H+](C(C)C)CC1 ZINC001340567610 1337207768 /nfs/dbraw/zinc/20/77/68/1337207768.db2.gz FSFZDXYGVAQRCH-QGZVFWFLSA-N 1 3 346.523 2.194 10 30 EEEEHO C=CCn1c([C@@H]2CCCN(C)C2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001340567610 1337207769 /nfs/dbraw/zinc/20/77/69/1337207769.db2.gz FSFZDXYGVAQRCH-QGZVFWFLSA-N 1 3 346.523 2.194 10 30 EEEEHO CC[C@H](C(=O)NC[C@@H](C)NCC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001567052571 1342686743 /nfs/dbraw/zinc/68/67/43/1342686743.db2.gz GIBKGOFNAUWRGC-VQIMIIECSA-N 1 3 347.478 2.392 10 30 EEEEHO C=CCOCC[NH+]1CCC(C)(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001569578050 1342900693 /nfs/dbraw/zinc/90/06/93/1342900693.db2.gz CVTJRWKCFGIEQH-IRXDYDNUSA-N 1 3 337.508 2.033 10 30 EEEEHO C#CCN1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001571650672 1343262560 /nfs/dbraw/zinc/26/25/60/1343262560.db2.gz BOMQTEILEMOAAH-HKUYNNGSSA-N 1 3 333.520 2.347 10 30 EEEEHO C=CCN1CC[C@@H](N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC001655627390 1354180618 /nfs/dbraw/zinc/18/06/18/1354180618.db2.gz BXARFBQXSRGOLQ-HSALFYBXSA-N 1 3 339.483 2.227 10 30 EEEEHO C=CCN1CC[C@@H](N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)C1=O ZINC001655627390 1354180621 /nfs/dbraw/zinc/18/06/21/1354180621.db2.gz BXARFBQXSRGOLQ-HSALFYBXSA-N 1 3 339.483 2.227 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001662424454 1354795364 /nfs/dbraw/zinc/79/53/64/1354795364.db2.gz LCVLQCZJSUUVGV-KRWDZBQOSA-N 1 3 333.520 2.396 10 30 EEEEHO C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001671908126 1356436705 /nfs/dbraw/zinc/43/67/05/1356436705.db2.gz PDLLMJOBHIAHQE-UYAOXDASSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001671908126 1356436706 /nfs/dbraw/zinc/43/67/06/1356436706.db2.gz PDLLMJOBHIAHQE-UYAOXDASSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941075219 779794946 /nfs/dbraw/zinc/79/49/46/779794946.db2.gz ILASYAMJGUFPKI-QZTJIDSGSA-N 1 3 333.520 2.489 10 30 EEEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941075219 779794950 /nfs/dbraw/zinc/79/49/50/779794950.db2.gz ILASYAMJGUFPKI-QZTJIDSGSA-N 1 3 333.520 2.489 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437321078 1089482694 /nfs/dbraw/zinc/48/26/94/1089482694.db2.gz IZGNOQUESIXUCL-MOPGFXCFSA-N 1 3 342.487 2.415 10 30 EEEEHO C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001438663353 1091152202 /nfs/dbraw/zinc/15/22/02/1091152202.db2.gz JLSYZABCNLBFCT-HUUCEWRRSA-N 1 3 348.516 2.431 10 30 EEEEHO C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001438663353 1091152205 /nfs/dbraw/zinc/15/22/05/1091152205.db2.gz JLSYZABCNLBFCT-HUUCEWRRSA-N 1 3 348.516 2.431 10 30 EEEEHO C#CCN1CC[C@@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001499615833 1112413125 /nfs/dbraw/zinc/41/31/25/1112413125.db2.gz IOCAYOBQMYMFEF-HXUWFJFHSA-N 1 3 333.520 2.446 10 30 EEEEHO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001506861656 1114927748 /nfs/dbraw/zinc/92/77/48/1114927748.db2.gz WGMRPFPIWVDVEI-HRCADAONSA-N 1 3 339.911 2.440 10 30 EEEEHO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001506861656 1114927750 /nfs/dbraw/zinc/92/77/50/1114927750.db2.gz WGMRPFPIWVDVEI-HRCADAONSA-N 1 3 339.911 2.440 10 30 EEEEHO CC[C@@H](O)[C@@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872647 465272066 /nfs/dbraw/zinc/27/20/66/465272066.db2.gz GIVPJINMCYAWSV-LWYYNNOASA-N 1 3 336.520 2.241 10 30 EEEEHO CC[C@@H](O)[C@@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872647 465272073 /nfs/dbraw/zinc/27/20/73/465272073.db2.gz GIVPJINMCYAWSV-LWYYNNOASA-N 1 3 336.520 2.241 10 30 EEEEHO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC#CCN1CCCC[C@H]1[C@@H](O)CC ZINC000341872647 465272078 /nfs/dbraw/zinc/27/20/78/465272078.db2.gz GIVPJINMCYAWSV-LWYYNNOASA-N 1 3 336.520 2.241 10 30 EEEEHO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC#CCN1CCCC[C@H]1[C@@H](O)CC ZINC000341872647 465272084 /nfs/dbraw/zinc/27/20/84/465272084.db2.gz GIVPJINMCYAWSV-LWYYNNOASA-N 1 3 336.520 2.241 10 30 EEEEHO C[NH+]1CCC2(CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000597668362 468632483 /nfs/dbraw/zinc/63/24/83/468632483.db2.gz WAAVXOIDAZQSKF-GOSISDBHSA-N 1 3 336.439 2.185 10 30 EEEEHO C#CCN1CCC[C@@H]2[C@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001691427882 1178314445 /nfs/dbraw/zinc/31/44/45/1178314445.db2.gz GLXFZYXQGNMJPC-NEWSRXKRSA-N 1 3 331.504 2.101 10 30 EEEEHO C#CCC[N@H+](CCC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001481147858 1179919030 /nfs/dbraw/zinc/91/90/30/1179919030.db2.gz OOEHUWCJMCIHNM-GOSISDBHSA-N 1 3 325.472 2.050 10 30 EEEEHO C#CCC[N@@H+](CCC)CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001481147858 1179919038 /nfs/dbraw/zinc/91/90/38/1179919038.db2.gz OOEHUWCJMCIHNM-GOSISDBHSA-N 1 3 325.472 2.050 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCC(=C)C)CCCC2)CC1 ZINC001268042281 1181473477 /nfs/dbraw/zinc/47/34/77/1181473477.db2.gz NZMGQJFPNYVBEL-UHFFFAOYSA-N 1 3 331.504 2.316 10 30 EEEEHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001284376653 1183887234 /nfs/dbraw/zinc/88/72/34/1183887234.db2.gz WSQPEVXTDLMRCK-ZIAGYGMSSA-N 1 3 335.414 2.129 10 30 EEEEHO C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCCN2C(C)C)CCOCC1 ZINC001484862819 1191554644 /nfs/dbraw/zinc/55/46/44/1191554644.db2.gz RNQXIIKLVIIEFK-QGZVFWFLSA-N 1 3 337.508 2.080 10 30 EEEEHO C[C@H](NCC#Cc1ccccc1Cl)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485188096 1191685214 /nfs/dbraw/zinc/68/52/14/1191685214.db2.gz GYSUOECVJPXXIC-GJZGRUSLSA-N 1 3 335.879 2.126 10 30 EEEEHO C=C(Br)C[NH2+]C[C@H]1CC[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001410949451 1198614942 /nfs/dbraw/zinc/61/49/42/1198614942.db2.gz FXOQPXGUIKDSNR-KBPBESRZSA-N 1 3 346.313 2.110 10 30 EEEEHO C#CCN1CCC(C(=O)N(CC)CC[NH2+]Cc2ccsc2)CC1 ZINC001273766361 1285178467 /nfs/dbraw/zinc/17/84/67/1285178467.db2.gz YFDUXHXMLPKEOR-UHFFFAOYSA-N 1 3 333.501 2.031 10 30 EEEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001490681060 1291562974 /nfs/dbraw/zinc/56/29/74/1291562974.db2.gz KGVIBIUSRSAPTD-CVEARBPZSA-N 1 3 327.900 2.344 10 30 EEEEHO C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001490681060 1291562982 /nfs/dbraw/zinc/56/29/82/1291562982.db2.gz KGVIBIUSRSAPTD-CVEARBPZSA-N 1 3 327.900 2.344 10 30 EEEEHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)NCc2ccc(C#N)s2)C1 ZINC001491558148 1303520157 /nfs/dbraw/zinc/52/01/57/1303520157.db2.gz IWCTVVKLLARZRY-GJZGRUSLSA-N 1 3 348.516 2.336 10 30 EEEEHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)NCc2ccc(C#N)s2)C1 ZINC001491558148 1303520159 /nfs/dbraw/zinc/52/01/59/1303520159.db2.gz IWCTVVKLLARZRY-GJZGRUSLSA-N 1 3 348.516 2.336 10 30 EEEEHO CC#CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001279079048 1319191678 /nfs/dbraw/zinc/19/16/78/1319191678.db2.gz DHGDDVXXXZOGKK-QGZVFWFLSA-N 1 3 333.520 2.491 10 30 EEEEHO C=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1OCC ZINC001263975738 1322574771 /nfs/dbraw/zinc/57/47/71/1322574771.db2.gz OMEVVSBMEXUQOI-RTBURBONSA-N 1 3 345.487 2.001 10 30 EEEEHO C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001281881018 1325497984 /nfs/dbraw/zinc/49/79/84/1325497984.db2.gz DKQVOSRSLQDFPO-QFBILLFUSA-N 1 3 337.483 2.193 10 30 EEEEHO C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001320550506 1332908273 /nfs/dbraw/zinc/90/82/73/1332908273.db2.gz XOJFSNFHMOYPES-HUUCEWRRSA-N 1 3 346.450 2.024 10 30 EEEEHO C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001324645193 1333730043 /nfs/dbraw/zinc/73/00/43/1333730043.db2.gz BPKZVWFRSDLISX-MSOLQXFVSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001324645193 1333730045 /nfs/dbraw/zinc/73/00/45/1333730045.db2.gz BPKZVWFRSDLISX-MSOLQXFVSA-N 1 3 325.472 2.356 10 30 EEEEHO C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001325054768 1333819738 /nfs/dbraw/zinc/81/97/38/1333819738.db2.gz PPRQXSRTXUILHC-HOTGVXAUSA-N 1 3 343.462 2.368 10 30 EEEEHO C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001325054768 1333819741 /nfs/dbraw/zinc/81/97/41/1333819741.db2.gz PPRQXSRTXUILHC-HOTGVXAUSA-N 1 3 343.462 2.368 10 30 EEEEHO CC#CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCCN2C)CC1 ZINC001327501006 1334302869 /nfs/dbraw/zinc/30/28/69/1334302869.db2.gz UDSWUWPQWSZXSE-IBGZPJMESA-N 1 3 333.520 2.493 10 30 EEEEHO CC#CC[NH2+]C1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001328017574 1334379290 /nfs/dbraw/zinc/37/92/90/1334379290.db2.gz MHDYGKMONIMBSE-IBGZPJMESA-N 1 3 337.483 2.193 10 30 EEEEHO CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001332138583 1335739988 /nfs/dbraw/zinc/73/99/88/1335739988.db2.gz ATQNUMDOFLKIMI-GBESFXJTSA-N 1 3 345.531 2.491 10 30 EEEEHO C=CCN1CCC(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)CC1 ZINC001357158637 1338967806 /nfs/dbraw/zinc/96/78/06/1338967806.db2.gz CGBYMGAMFUODNP-JZXOWHBKSA-N 1 3 334.508 2.009 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC2CC2)C2CCCC2)CC1 ZINC001569614104 1342908935 /nfs/dbraw/zinc/90/89/35/1342908935.db2.gz MSAOZEPVKIGMPD-IBGZPJMESA-N 1 3 331.504 2.006 10 30 EEEEHO C=CCOCCN1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001677621446 1357375027 /nfs/dbraw/zinc/37/50/27/1357375027.db2.gz QNCZFDAQEOUUIP-RTBURBONSA-N 1 3 349.519 2.058 10 30 EEEEHO C#CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)C1CCN(C)CC1 ZINC000921150234 770983363 /nfs/dbraw/zinc/98/33/63/770983363.db2.gz GOEAEKNSXBQAOE-UHFFFAOYSA-N 1 3 336.524 2.234 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000907451520 784655995 /nfs/dbraw/zinc/65/59/95/784655995.db2.gz DAXYNSIICZYFFJ-UHFFFAOYSA-N 1 3 330.476 2.275 10 30 EEEEHO C#CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCN(C)CC1 ZINC000923294639 789326597 /nfs/dbraw/zinc/32/65/97/789326597.db2.gz KZFTZOUIZHQVFL-QGZVFWFLSA-N 1 3 346.519 2.132 10 30 EEEEHO C#CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCN(C)CC1 ZINC000923294639 789326608 /nfs/dbraw/zinc/32/66/08/789326608.db2.gz KZFTZOUIZHQVFL-QGZVFWFLSA-N 1 3 346.519 2.132 10 30 EEEEHO C#CCN(C(=O)NC[C@H](c1ccccc1)N(C)C)C1CC[NH+](C)CC1 ZINC000913859263 794402779 /nfs/dbraw/zinc/40/27/79/794402779.db2.gz OMBIUGDGJTXLBQ-LJQANCHMSA-N 1 3 342.487 2.028 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001440324019 1093465251 /nfs/dbraw/zinc/46/52/51/1093465251.db2.gz YUWYTGJEAXDACZ-WOVMCDHWSA-N 1 3 346.450 2.022 10 30 EEEEHO CCCC[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001441144601 1094481885 /nfs/dbraw/zinc/48/18/85/1094481885.db2.gz ZQFLXCSCRYTONO-GJZGRUSLSA-N 1 3 348.516 2.336 10 30 EEEEHO CCCC[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001441144601 1094481887 /nfs/dbraw/zinc/48/18/87/1094481887.db2.gz ZQFLXCSCRYTONO-GJZGRUSLSA-N 1 3 348.516 2.336 10 30 EEEEHO C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001441341559 1094838660 /nfs/dbraw/zinc/83/86/60/1094838660.db2.gz PTWDPCLZRYWBKA-HRCADAONSA-N 1 3 327.900 2.297 10 30 EEEEHO C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001441341559 1094838675 /nfs/dbraw/zinc/83/86/75/1094838675.db2.gz PTWDPCLZRYWBKA-HRCADAONSA-N 1 3 327.900 2.297 10 30 EEEEHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001479501517 1098568634 /nfs/dbraw/zinc/56/86/34/1098568634.db2.gz CWVSJSINZATFEU-GOSISDBHSA-N 1 3 333.520 2.445 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001480233984 1099861531 /nfs/dbraw/zinc/86/15/31/1099861531.db2.gz VCSGWCDTFCOOHO-KDURUIRLSA-N 1 3 327.472 2.007 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001480233984 1099861534 /nfs/dbraw/zinc/86/15/34/1099861534.db2.gz VCSGWCDTFCOOHO-KDURUIRLSA-N 1 3 327.472 2.007 10 30 EEEEHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1)N(C)C ZINC001480789897 1107120439 /nfs/dbraw/zinc/12/04/39/1107120439.db2.gz IRKGCXYQKIYGMK-IEBWSBKVSA-N 1 3 329.488 2.109 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001480832669 1107228282 /nfs/dbraw/zinc/22/82/82/1107228282.db2.gz DRUXGCVMLIMYQZ-HXUWFJFHSA-N 1 3 345.531 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001480832669 1107228291 /nfs/dbraw/zinc/22/82/91/1107228291.db2.gz DRUXGCVMLIMYQZ-HXUWFJFHSA-N 1 3 345.531 2.493 10 30 EEEEHO C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001501617890 1113401431 /nfs/dbraw/zinc/40/14/31/1113401431.db2.gz GJELXLAVMJKWKH-LPHOPBHVSA-N 1 3 337.483 2.050 10 30 EEEEHO COc1cc(C#N)ccc1CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179659059 533495110 /nfs/dbraw/zinc/49/51/10/533495110.db2.gz YOWCMPTZMYYGGH-OAHLLOKOSA-N 1 3 331.460 2.091 10 30 EEEEHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sccc1C#N ZINC000101518379 279329531 /nfs/dbraw/zinc/32/95/31/279329531.db2.gz INHGFQDUNHHGNV-HNNXBMFYSA-N 1 3 334.489 2.108 10 30 EEEEHO CC[C@H](C)[NH+]=C(NCc1ccccc1)NC[C@@H]1CCN(CCOC)C1 ZINC000072271833 463492407 /nfs/dbraw/zinc/49/24/07/463492407.db2.gz CHPYBNWEEVYJKO-HKUYNNGSSA-N 1 3 346.519 2.489 10 30 EEEEHO CC(C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000356786899 465540169 /nfs/dbraw/zinc/54/01/69/465540169.db2.gz WBAAAZXZQMXEQP-WMZOPIPTSA-N 1 3 341.455 2.191 10 30 EEEEHO CC(C#N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000356786899 465540174 /nfs/dbraw/zinc/54/01/74/465540174.db2.gz WBAAAZXZQMXEQP-WMZOPIPTSA-N 1 3 341.455 2.191 10 30 EEEEHO CC(C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000356786897 465540287 /nfs/dbraw/zinc/54/02/87/465540287.db2.gz WBAAAZXZQMXEQP-FUHWJXTLSA-N 1 3 341.455 2.191 10 30 EEEEHO CC(C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000356786897 465540290 /nfs/dbraw/zinc/54/02/90/465540290.db2.gz WBAAAZXZQMXEQP-FUHWJXTLSA-N 1 3 341.455 2.191 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C(C)C ZINC000669385708 471471478 /nfs/dbraw/zinc/47/14/78/471471478.db2.gz PEJSJRSXALMHOL-QUCCMNQESA-N 1 3 348.535 2.470 10 30 EEEEHO C#CC1(O)CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000895383494 684567404 /nfs/dbraw/zinc/56/74/04/684567404.db2.gz WQZZQXKAAQGXCY-UHFFFAOYSA-N 1 3 341.499 2.177 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000899970283 693947433 /nfs/dbraw/zinc/94/74/33/693947433.db2.gz VRDCXYZSGUFQLM-LJQANCHMSA-N 1 3 345.487 2.456 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCCCF)C2)CC1 ZINC001266252154 1176029285 /nfs/dbraw/zinc/02/92/85/1176029285.db2.gz NYLUMVUTNBYALA-GOSISDBHSA-N 1 3 337.483 2.052 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCCCF)C2)CC1 ZINC001266252154 1176029295 /nfs/dbraw/zinc/02/92/95/1176029295.db2.gz NYLUMVUTNBYALA-GOSISDBHSA-N 1 3 337.483 2.052 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCCCF)CC1 ZINC001691075239 1177528821 /nfs/dbraw/zinc/52/88/21/1177528821.db2.gz QJIJMGLNIUYPLM-SFHVURJKSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCCCF)CC1 ZINC001691075239 1177528827 /nfs/dbraw/zinc/52/88/27/1177528827.db2.gz QJIJMGLNIUYPLM-SFHVURJKSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001266993721 1178052069 /nfs/dbraw/zinc/05/20/69/1178052069.db2.gz DMMWWTPBERTECA-INIZCTEOSA-N 1 3 345.462 2.096 10 30 EEEEHO C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001482020311 1183145382 /nfs/dbraw/zinc/14/53/82/1183145382.db2.gz MEBHHZVMAUHXDU-QAQDUYKDSA-N 1 3 337.508 2.080 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001482172473 1183500239 /nfs/dbraw/zinc/50/02/39/1183500239.db2.gz UQDBORKQYDRNMT-MRXNPFEDSA-N 1 3 333.520 2.110 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001268630918 1183556297 /nfs/dbraw/zinc/55/62/97/1183556297.db2.gz SMLLBVJYBWPUPS-PXPVJAHISA-N 1 3 340.471 2.195 10 30 EEEEHO C=CCOCCN1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001270642670 1185260206 /nfs/dbraw/zinc/26/02/06/1185260206.db2.gz NYTOCVCFUGGZSD-HXUWFJFHSA-N 1 3 345.487 2.145 10 30 EEEEHO CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001482509373 1186427223 /nfs/dbraw/zinc/42/72/23/1186427223.db2.gz VCRHDKUOQSZETL-LJQANCHMSA-N 1 3 333.520 2.445 10 30 EEEEHO CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001482509373 1186427225 /nfs/dbraw/zinc/42/72/25/1186427225.db2.gz VCRHDKUOQSZETL-LJQANCHMSA-N 1 3 333.520 2.445 10 30 EEEEHO C#CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CCN(CC=C(C)C)CC1 ZINC001483984154 1191142070 /nfs/dbraw/zinc/14/20/70/1191142070.db2.gz KPLILFUGMJCJQX-FQEVSTJZSA-N 1 3 343.515 2.221 10 30 EEEEHO C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001484554499 1191412696 /nfs/dbraw/zinc/41/26/96/1191412696.db2.gz XWRVVUPYOPPFIJ-VQTJNVASSA-N 1 3 341.499 2.488 10 30 EEEEHO C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001484554499 1191412699 /nfs/dbraw/zinc/41/26/99/1191412699.db2.gz XWRVVUPYOPPFIJ-VQTJNVASSA-N 1 3 341.499 2.488 10 30 EEEEHO CCCN(C)CC(=O)NC1CC(C[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001485108582 1191657102 /nfs/dbraw/zinc/65/71/02/1191657102.db2.gz NWZWPVUOIQEJAX-UHFFFAOYSA-N 1 3 345.462 2.003 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000876741335 1199750611 /nfs/dbraw/zinc/75/06/11/1199750611.db2.gz QMUWJAXZAMDKPY-IRXDYDNUSA-N 1 3 335.879 2.137 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000876741335 1199750618 /nfs/dbraw/zinc/75/06/18/1199750618.db2.gz QMUWJAXZAMDKPY-IRXDYDNUSA-N 1 3 335.879 2.137 10 30 EEEEHO CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852883068 1292223988 /nfs/dbraw/zinc/22/39/88/1292223988.db2.gz FUZDKOITULHULA-UHFFFAOYSA-N 1 3 347.890 2.233 10 30 EEEEHO CC#CCN1CCC[C@@H]2[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001264032032 1322592524 /nfs/dbraw/zinc/59/25/24/1322592524.db2.gz GHJLJXVFJNGRIK-NEWSRXKRSA-N 1 3 333.520 2.347 10 30 EEEEHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCC#Cc1ccc(F)cc1 ZINC001265870575 1323443731 /nfs/dbraw/zinc/44/37/31/1323443731.db2.gz SAMDWXNFNQAZKR-KRWDZBQOSA-N 1 3 345.462 2.148 10 30 EEEEHO CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1)N(C)C ZINC001265919058 1323484869 /nfs/dbraw/zinc/48/48/69/1323484869.db2.gz CAWASSXLDRUKQM-GOSISDBHSA-N 1 3 330.476 2.083 10 30 EEEEHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1)N(C)C ZINC001265919058 1323484875 /nfs/dbraw/zinc/48/48/75/1323484875.db2.gz CAWASSXLDRUKQM-GOSISDBHSA-N 1 3 330.476 2.083 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001491682533 1330204213 /nfs/dbraw/zinc/20/42/13/1330204213.db2.gz MRVGVQSEFXEAQR-CJNGLKHVSA-N 1 3 334.489 2.088 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001318300965 1332505242 /nfs/dbraw/zinc/50/52/42/1332505242.db2.gz IIVQGDOTCDGSKS-MJGOQNOKSA-N 1 3 333.520 2.204 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001318300965 1332505250 /nfs/dbraw/zinc/50/52/50/1332505250.db2.gz IIVQGDOTCDGSKS-MJGOQNOKSA-N 1 3 333.520 2.204 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001318608875 1332567603 /nfs/dbraw/zinc/56/76/03/1332567603.db2.gz ZFQDUWJDRLRGCT-IBGZPJMESA-N 1 3 345.531 2.396 10 30 EEEEHO CC(C)[C@@H](C(=O)N(C)CCCNCc1ccccc1C#N)[NH+](C)C ZINC001322554677 1333282283 /nfs/dbraw/zinc/28/22/83/1333282283.db2.gz INXFEIHYJAJHHI-SFHVURJKSA-N 1 3 330.476 2.083 10 30 EEEEHO C#C[C@H]1CCCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000848277001 1338632011 /nfs/dbraw/zinc/63/20/11/1338632011.db2.gz LMDDSSKBPAXIQS-KRWDZBQOSA-N 1 3 331.504 2.055 10 30 EEEEHO CC[C@H](C(=O)NC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001566713778 1342611189 /nfs/dbraw/zinc/61/11/89/1342611189.db2.gz COCCNPAIAZWGFW-RBUKOAKNSA-N 1 3 345.462 2.002 10 30 EEEEHO CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001569528758 1342893154 /nfs/dbraw/zinc/89/31/54/1342893154.db2.gz YHPQVXIFQDKJBF-LPHOPBHVSA-N 1 3 327.472 2.354 10 30 EEEEHO C=CCN[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001677376623 1357324580 /nfs/dbraw/zinc/32/45/80/1357324580.db2.gz XRXMUDOTPWZIIA-KBPBESRZSA-N 1 3 335.414 2.273 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001661972083 1354730435 /nfs/dbraw/zinc/73/04/35/1354730435.db2.gz NVYAMGKGMZVXDV-HFTQHKIXSA-N 1 3 337.895 2.055 10 30 EEEEHO CC#CCN(CCC)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001663684314 1355016588 /nfs/dbraw/zinc/01/65/88/1355016588.db2.gz WHPVDKWYMOINTN-UXHICEINSA-N 1 3 341.499 2.183 10 30 EEEEHO CC#CCN(CCC)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001663684314 1355016592 /nfs/dbraw/zinc/01/65/92/1355016592.db2.gz WHPVDKWYMOINTN-UXHICEINSA-N 1 3 341.499 2.183 10 30 EEEEHO C#CCCN1CCc2c(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)cccc2C1 ZINC001673080006 1356644397 /nfs/dbraw/zinc/64/43/97/1356644397.db2.gz XGWZULDNPMSTAQ-KRWDZBQOSA-N 1 3 339.483 2.026 10 30 EEEEHO C#CCCN1CCc2c(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cccc2C1 ZINC001673080006 1356644400 /nfs/dbraw/zinc/64/44/00/1356644400.db2.gz XGWZULDNPMSTAQ-KRWDZBQOSA-N 1 3 339.483 2.026 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001698845830 1405104433 /nfs/dbraw/zinc/10/44/33/1405104433.db2.gz PJUDAGFUBBWQLE-SFHVURJKSA-N 1 3 343.515 2.453 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001698845830 1405104438 /nfs/dbraw/zinc/10/44/38/1405104438.db2.gz PJUDAGFUBBWQLE-SFHVURJKSA-N 1 3 343.515 2.453 10 30 EEEEHO C#CCN(C(=O)NCCCCC[NH+]1CCCCC1)C1CCN(C)CC1 ZINC000919650542 770144249 /nfs/dbraw/zinc/14/42/49/770144249.db2.gz BKFGVLCSSDSNPP-UHFFFAOYSA-N 1 3 348.535 2.382 10 30 EEEEHO C#CCOc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc1 ZINC000820982740 786546608 /nfs/dbraw/zinc/54/66/08/786546608.db2.gz DPZPIBWUGLJQEC-INIZCTEOSA-N 1 3 346.475 2.092 10 30 EEEEHO C#CCOc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc1 ZINC000820982740 786546618 /nfs/dbraw/zinc/54/66/18/786546618.db2.gz DPZPIBWUGLJQEC-INIZCTEOSA-N 1 3 346.475 2.092 10 30 EEEEHO C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001436970556 1088662955 /nfs/dbraw/zinc/66/29/55/1088662955.db2.gz ZHBZJZOXPLGNPE-HZSPNIEDSA-N 1 3 346.313 2.252 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437321081 1089483007 /nfs/dbraw/zinc/48/30/07/1089483007.db2.gz IZGNOQUESIXUCL-RTBURBONSA-N 1 3 342.487 2.415 10 30 EEEEHO C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C(F)(F)F ZINC001479626010 1098651538 /nfs/dbraw/zinc/65/15/38/1098651538.db2.gz SMFPXOUSKLESJS-OCCSQVGLSA-N 1 3 344.381 2.145 10 30 EEEEHO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001480085544 1099640372 /nfs/dbraw/zinc/64/03/72/1099640372.db2.gz QPZWCKJBNCSLCT-RTBURBONSA-N 1 3 333.520 2.443 10 30 EEEEHO CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001480085544 1099640375 /nfs/dbraw/zinc/64/03/75/1099640375.db2.gz QPZWCKJBNCSLCT-RTBURBONSA-N 1 3 333.520 2.443 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001494876486 1104487318 /nfs/dbraw/zinc/48/73/18/1104487318.db2.gz PQFLYQTYUQVWFF-GOSISDBHSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCCCCF)C2)CC1 ZINC001494876486 1104487321 /nfs/dbraw/zinc/48/73/21/1104487321.db2.gz PQFLYQTYUQVWFF-GOSISDBHSA-N 1 3 337.483 2.004 10 30 EEEEHO C=CCC[C@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001506722365 1114832535 /nfs/dbraw/zinc/83/25/35/1114832535.db2.gz OSKMABXKKVXTBI-PKOBYXMFSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCC[C@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001506722365 1114832539 /nfs/dbraw/zinc/83/25/39/1114832539.db2.gz OSKMABXKKVXTBI-PKOBYXMFSA-N 1 3 349.519 2.129 10 30 EEEEHO C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001506938239 1114987848 /nfs/dbraw/zinc/98/78/48/1114987848.db2.gz NXVDMPLGIDNUHV-OALUTQOASA-N 1 3 341.499 2.254 10 30 EEEEHO C[C@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001569030594 1125053113 /nfs/dbraw/zinc/05/31/13/1125053113.db2.gz WFCPBGQHPVJWFG-WBVHZDCISA-N 1 3 347.890 2.128 10 30 EEEEHO C[C@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001569030594 1125053120 /nfs/dbraw/zinc/05/31/20/1125053120.db2.gz WFCPBGQHPVJWFG-WBVHZDCISA-N 1 3 347.890 2.128 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000171686874 463906363 /nfs/dbraw/zinc/90/63/63/463906363.db2.gz ZHMIBLWFJAGLJS-GOSISDBHSA-N 1 3 334.508 2.297 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000597942756 468720307 /nfs/dbraw/zinc/72/03/07/468720307.db2.gz NEBJVKFNZAJWJM-INIZCTEOSA-N 1 3 344.503 2.490 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000597942756 468720311 /nfs/dbraw/zinc/72/03/11/468720311.db2.gz NEBJVKFNZAJWJM-INIZCTEOSA-N 1 3 344.503 2.490 10 30 EEEEHO C[NH2+]CCCC(=O)N1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000596652789 469322876 /nfs/dbraw/zinc/32/28/76/469322876.db2.gz HWXKGWMRLIDLRR-AWEZNQCLSA-N 1 3 346.450 2.339 10 30 EEEEHO C=CC[C@@]1(C(=O)NC2CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662658100 472189702 /nfs/dbraw/zinc/18/97/02/472189702.db2.gz BFMXFGNWBZRJQZ-FQEVSTJZSA-N 1 3 327.472 2.466 10 30 EEEEHO CC[NH+]=C(NCCc1c(C)noc1C)N[C@H]1CCN(C2CCCC2)C1 ZINC000097013725 528806322 /nfs/dbraw/zinc/80/63/22/528806322.db2.gz QZPVGWPHLNGPDL-INIZCTEOSA-N 1 3 347.507 2.406 10 30 EEEEHO C[C@@H](CCCNCc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485748158 1191930408 /nfs/dbraw/zinc/93/04/08/1191930408.db2.gz KVXYWXDMSCCSGC-GOEBONIOSA-N 1 3 346.450 2.024 10 30 EEEEHO C[C@@H](CCCNCc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485748158 1191930410 /nfs/dbraw/zinc/93/04/10/1191930410.db2.gz KVXYWXDMSCCSGC-GOEBONIOSA-N 1 3 346.450 2.024 10 30 EEEEHO C#CCN1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266891845 1177729023 /nfs/dbraw/zinc/72/90/23/1177729023.db2.gz RQCULUFKPZULOY-ROUUACIJSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC/C=C\CCC)C[C@H]32)CC1 ZINC001266906125 1177772504 /nfs/dbraw/zinc/77/25/04/1177772504.db2.gz IIMKGTKGVXLYJM-FQHZCAMKSA-N 1 3 343.515 2.124 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC/C=C\CCC)C[C@H]32)CC1 ZINC001266906125 1177772513 /nfs/dbraw/zinc/77/25/13/1177772513.db2.gz IIMKGTKGVXLYJM-FQHZCAMKSA-N 1 3 343.515 2.124 10 30 EEEEHO CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCc1ccc(C#N)s1 ZINC001268629947 1183554427 /nfs/dbraw/zinc/55/44/27/1183554427.db2.gz BDXOPANWKHXBFU-CHYADLBTSA-N 1 3 346.500 2.256 10 30 EEEEHO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\CNCc1ccc(C#N)s1 ZINC001268629947 1183554428 /nfs/dbraw/zinc/55/44/28/1183554428.db2.gz BDXOPANWKHXBFU-CHYADLBTSA-N 1 3 346.500 2.256 10 30 EEEEHO CC[N@H+](C)CCC(=O)N[C@@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001269645172 1184466272 /nfs/dbraw/zinc/46/62/72/1184466272.db2.gz LYUVSRIRXDNJAP-NRFANRHFSA-N 1 3 341.499 2.254 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N[C@@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001269645172 1184466277 /nfs/dbraw/zinc/46/62/77/1184466277.db2.gz LYUVSRIRXDNJAP-NRFANRHFSA-N 1 3 341.499 2.254 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC=C(C)C)CC(C)C)CC1 ZINC001271316714 1186136274 /nfs/dbraw/zinc/13/62/74/1186136274.db2.gz ITWKLSZPHIKTOG-LJQANCHMSA-N 1 3 333.520 2.418 10 30 EEEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485828111 1193479349 /nfs/dbraw/zinc/47/93/49/1193479349.db2.gz UMGWDPMGMFRXEG-CRAIPNDOSA-N 1 3 325.472 2.212 10 30 EEEEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001272474475 1190839950 /nfs/dbraw/zinc/83/99/50/1190839950.db2.gz HGYZPYLXCAUWMN-QFBILLFUSA-N 1 3 342.487 2.227 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001484522279 1191397129 /nfs/dbraw/zinc/39/71/29/1191397129.db2.gz GFGXADBRKRVCSZ-HZPDHXFCSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001484522279 1191397131 /nfs/dbraw/zinc/39/71/31/1191397131.db2.gz GFGXADBRKRVCSZ-HZPDHXFCSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Br)C[NH2+]CC[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001484551519 1191410565 /nfs/dbraw/zinc/41/05/65/1191410565.db2.gz KVHQJMQSPKYWOM-AWEZNQCLSA-N 1 3 346.313 2.063 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC#Cc2ccccc2)C1 ZINC001274279375 1204984325 /nfs/dbraw/zinc/98/43/25/1204984325.db2.gz FRNBGGTVLAMLOV-QUCCMNQESA-N 1 3 341.499 2.207 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC#Cc2ccccc2)C1 ZINC001274279375 1204984328 /nfs/dbraw/zinc/98/43/28/1204984328.db2.gz FRNBGGTVLAMLOV-QUCCMNQESA-N 1 3 341.499 2.207 10 30 EEEEHO C[C@@H](NCC#Cc1ccc(F)cc1)[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001275542131 1205403491 /nfs/dbraw/zinc/40/34/91/1205403491.db2.gz RUKWEJJBWATNSE-SJORKVTESA-N 1 3 347.478 2.392 10 30 EEEEHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2Cl)C1)N(C)C ZINC001491072454 1258635316 /nfs/dbraw/zinc/63/53/16/1258635316.db2.gz VRRMIFMKLSZLOF-JZXOWHBKSA-N 1 3 347.890 2.269 10 30 EEEEHO C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001276821264 1298786109 /nfs/dbraw/zinc/78/61/09/1298786109.db2.gz SGLKTQKEALLJME-LPHOPBHVSA-N 1 3 345.487 2.143 10 30 EEEEHO C#CCN1CCC([C@@H](C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001279097979 1319256707 /nfs/dbraw/zinc/25/67/07/1319256707.db2.gz YJWBPWPORJYYRA-BEFAXECRSA-N 1 3 337.483 2.049 10 30 EEEEHO C#CCN1CCC([C@@H](C)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001279097979 1319256716 /nfs/dbraw/zinc/25/67/16/1319256716.db2.gz YJWBPWPORJYYRA-BEFAXECRSA-N 1 3 337.483 2.049 10 30 EEEEHO C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001279097979 1319256722 /nfs/dbraw/zinc/25/67/22/1319256722.db2.gz YJWBPWPORJYYRA-BEFAXECRSA-N 1 3 337.483 2.049 10 30 EEEEHO C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001264018248 1322585927 /nfs/dbraw/zinc/58/59/27/1322585927.db2.gz ZOZMAZAFBKWYPM-IEBWSBKVSA-N 1 3 333.520 2.491 10 30 EEEEHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C(F)(F)F ZINC001264594116 1322744774 /nfs/dbraw/zinc/74/47/74/1322744774.db2.gz FFKYTFVYUTZCDU-KGLIPLIRSA-N 1 3 335.414 2.131 10 30 EEEEHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1)[NH+](C)C ZINC001283617710 1326165098 /nfs/dbraw/zinc/16/50/98/1326165098.db2.gz KPGJTSMMQZCTKI-LPHOPBHVSA-N 1 3 347.478 2.200 10 30 EEEEHO C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]21 ZINC001284095208 1326404212 /nfs/dbraw/zinc/40/42/12/1326404212.db2.gz DQRYCSPQQMLUGW-RCCFBDPRSA-N 1 3 333.520 2.204 10 30 EEEEHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]CC#Cc1ccccc1 ZINC001319247607 1332670492 /nfs/dbraw/zinc/67/04/92/1332670492.db2.gz XWONVYWMLRLKHO-SFHVURJKSA-N 1 3 343.515 2.358 10 30 EEEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001324420634 1333679709 /nfs/dbraw/zinc/67/97/09/1333679709.db2.gz WXYZKPDQYPDRDG-WBVHZDCISA-N 1 3 325.472 2.001 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCCC(C)C)C2)CC1 ZINC001324673670 1333737303 /nfs/dbraw/zinc/73/73/03/1333737303.db2.gz NBDVAOBZJMGXJL-HXUWFJFHSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](CCCC(C)C)C2)CC1 ZINC001324673670 1333737305 /nfs/dbraw/zinc/73/73/05/1333737305.db2.gz NBDVAOBZJMGXJL-HXUWFJFHSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]CC(C)C)CC2)CC1 ZINC001325681190 1333939765 /nfs/dbraw/zinc/93/97/65/1333939765.db2.gz YUQGQXAOEOJVRM-WGSAOQKQSA-N 1 3 347.547 2.500 10 30 EEEEHO C=CCN1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001357158641 1338967709 /nfs/dbraw/zinc/96/77/09/1338967709.db2.gz CGBYMGAMFUODNP-XYJFISCASA-N 1 3 334.508 2.009 10 30 EEEEHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2Cl)C1)N(C)C ZINC001661474104 1354643556 /nfs/dbraw/zinc/64/35/56/1354643556.db2.gz VRRMIFMKLSZLOF-BQFCYCMXSA-N 1 3 347.890 2.269 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001663928622 1355055029 /nfs/dbraw/zinc/05/50/29/1355055029.db2.gz XKSAWXPUMXKIFM-INIZCTEOSA-N 1 3 334.489 2.041 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001663928622 1355055032 /nfs/dbraw/zinc/05/50/32/1355055032.db2.gz XKSAWXPUMXKIFM-INIZCTEOSA-N 1 3 334.489 2.041 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001666111351 1355454864 /nfs/dbraw/zinc/45/48/64/1355454864.db2.gz RMEHRBNGRDQIGY-BZUAXINKSA-N 1 3 327.900 2.297 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001666111351 1355454873 /nfs/dbraw/zinc/45/48/73/1355454873.db2.gz RMEHRBNGRDQIGY-BZUAXINKSA-N 1 3 327.900 2.297 10 30 EEEEHO C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001675707639 1357041330 /nfs/dbraw/zinc/04/13/30/1357041330.db2.gz LSPIUQYZJHWNNM-MSOLQXFVSA-N 1 3 349.519 2.034 10 30 EEEEHO CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001692119779 1404981135 /nfs/dbraw/zinc/98/11/35/1404981135.db2.gz KMRSRNPFTIANSS-GUDVDZBRSA-N 1 3 333.520 2.348 10 30 EEEEHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl)N(C)C ZINC001698767275 1405051523 /nfs/dbraw/zinc/05/15/23/1405051523.db2.gz DKNVRXNCZRCBEW-YJBOKZPZSA-N 1 3 349.906 2.374 10 30 EEEEHO C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001439226080 1091871273 /nfs/dbraw/zinc/87/12/73/1091871273.db2.gz YZBCCZWWVOUOSU-UONOGXRCSA-N 1 3 334.489 2.088 10 30 EEEEHO C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001439226080 1091871278 /nfs/dbraw/zinc/87/12/78/1091871278.db2.gz YZBCCZWWVOUOSU-UONOGXRCSA-N 1 3 334.489 2.088 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001448513837 1093541063 /nfs/dbraw/zinc/54/10/63/1093541063.db2.gz YKPQZEHLCXDWMF-JCNLHEQBSA-N 1 3 346.450 2.022 10 30 EEEEHO CCCN(C)CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001440758955 1094001156 /nfs/dbraw/zinc/00/11/56/1094001156.db2.gz CYAPUOGUSQVSHN-UHFFFAOYSA-N 1 3 346.450 2.024 10 30 EEEEHO CC[C@@H](C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001480222184 1099840485 /nfs/dbraw/zinc/84/04/85/1099840485.db2.gz FYUMZOIZSBAOIC-ZCNNSNEGSA-N 1 3 341.499 2.395 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCCC)CC1 ZINC001496920827 1101721975 /nfs/dbraw/zinc/72/19/75/1101721975.db2.gz ZZYALBGGBATTFC-OALUTQOASA-N 1 3 333.520 2.396 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001498197903 1107065777 /nfs/dbraw/zinc/06/57/77/1107065777.db2.gz ZUISGNBSPAWSNK-KBXCAEBGSA-N 1 3 346.450 2.166 10 30 EEEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1CC ZINC001498888921 1108281444 /nfs/dbraw/zinc/28/14/44/1108281444.db2.gz ILOFPGNVXZMJTQ-QZTJIDSGSA-N 1 3 333.520 2.491 10 30 EEEEHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501153952 1113217719 /nfs/dbraw/zinc/21/77/19/1113217719.db2.gz YQTCIRUCWPGYDK-QFBILLFUSA-N 1 3 342.487 2.083 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2cccc(F)c2)CC1 ZINC001568713871 1124731953 /nfs/dbraw/zinc/73/19/53/1124731953.db2.gz KGGHMXDCUMIXMX-MRXNPFEDSA-N 1 3 345.462 2.155 10 30 EEEEHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1CC[NH+](C)CC1 ZINC000347034670 466338866 /nfs/dbraw/zinc/33/88/66/466338866.db2.gz TXEUIHDTSVGNMA-UHFFFAOYSA-N 1 3 342.487 2.180 10 30 EEEEHO COC[C@@H]1CCC[N@@H+](CC#CCN2CCC[C@H](COC)CC2)CC1 ZINC000452110454 467325891 /nfs/dbraw/zinc/32/58/91/467325891.db2.gz ZDGHQABPVXFFAR-BGYRXZFFSA-N 1 3 336.520 2.487 10 30 EEEEHO COC[C@@H]1CCC[N@H+](CC#CCN2CCC[C@H](COC)CC2)CC1 ZINC000452110454 467325893 /nfs/dbraw/zinc/32/58/93/467325893.db2.gz ZDGHQABPVXFFAR-BGYRXZFFSA-N 1 3 336.520 2.487 10 30 EEEEHO COC[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452110454 467325895 /nfs/dbraw/zinc/32/58/95/467325895.db2.gz ZDGHQABPVXFFAR-BGYRXZFFSA-N 1 3 336.520 2.487 10 30 EEEEHO COC[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452110454 467325897 /nfs/dbraw/zinc/32/58/97/467325897.db2.gz ZDGHQABPVXFFAR-BGYRXZFFSA-N 1 3 336.520 2.487 10 30 EEEEHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](N)CCCCC#N)C2)CC1 ZINC000594436303 468585758 /nfs/dbraw/zinc/58/57/58/468585758.db2.gz CXDZOKKWAMFEPI-QZTJIDSGSA-N 1 3 334.508 2.368 10 30 EEEEHO N#CC1(C[C@@H](O)CNC2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000600726853 468637850 /nfs/dbraw/zinc/63/78/50/468637850.db2.gz HKEFGNMZEPSXFB-LJQANCHMSA-N 1 3 349.519 2.444 10 30 EEEEHO N#CC1(C[C@@H](O)C[NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000600726853 468637855 /nfs/dbraw/zinc/63/78/55/468637855.db2.gz HKEFGNMZEPSXFB-LJQANCHMSA-N 1 3 349.519 2.444 10 30 EEEEHO C[NH+]=C(NCCc1sc(C)nc1C)N[C@H]1CCN(C2CCCC2)C1 ZINC000086897849 526366006 /nfs/dbraw/zinc/36/60/06/526366006.db2.gz YLWIMFPBMYAZOT-HNNXBMFYSA-N 1 3 349.548 2.484 10 30 EEEEHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001266544667 1176801768 /nfs/dbraw/zinc/80/17/68/1176801768.db2.gz FVZUZKSCWWRDAY-IBGZPJMESA-N 1 3 342.487 2.228 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001266994041 1178050529 /nfs/dbraw/zinc/05/05/29/1178050529.db2.gz IIQLXWRKOFNCEL-KRWDZBQOSA-N 1 3 345.531 2.396 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC=C(C)C)C2)CC1 ZINC001267093658 1178225359 /nfs/dbraw/zinc/22/53/59/1178225359.db2.gz MXNHBHDSABFDDU-MOPGFXCFSA-N 1 3 331.504 2.315 10 30 EEEEHO CN(CCNCc1ccc(F)c(C#N)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267413124 1178975095 /nfs/dbraw/zinc/97/50/95/1178975095.db2.gz WFXGSOBIQAXMCT-UHFFFAOYSA-N 1 3 346.450 2.120 10 30 EEEEHO CC(C)N(CC#Cc1ccc(F)cc1)CCCNC(=O)CC[NH+](C)C ZINC001267507195 1179211651 /nfs/dbraw/zinc/21/16/51/1179211651.db2.gz GUDJKHVUXGEHHD-UHFFFAOYSA-N 1 3 347.478 2.346 10 30 EEEEHO CC#CC[NH2+]C[C@@](C)(NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001267858368 1180642351 /nfs/dbraw/zinc/64/23/51/1180642351.db2.gz QZTLBIYJPUAZHX-MOPGFXCFSA-N 1 3 337.483 2.097 10 30 EEEEHO CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCC#Cc1ccccc1 ZINC001269417424 1184252728 /nfs/dbraw/zinc/25/27/28/1184252728.db2.gz IKDAENSSHYQQKT-MOPGFXCFSA-N 1 3 329.488 2.109 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001270346005 1185035028 /nfs/dbraw/zinc/03/50/28/1185035028.db2.gz WGHGAYVBCIWUFH-QZTJIDSGSA-N 1 3 333.520 2.301 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)N(C)C ZINC001272844346 1193573943 /nfs/dbraw/zinc/57/39/43/1193573943.db2.gz DEDGATXPHJHGLU-KSSFIOAISA-N 1 3 348.466 2.268 10 30 EEEEHO C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001484688125 1191471463 /nfs/dbraw/zinc/47/14/63/1191471463.db2.gz GRFZPFUOOFKGTG-IAGOWNOFSA-N 1 3 337.508 2.033 10 30 EEEEHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)CCC1 ZINC001410232996 1197621874 /nfs/dbraw/zinc/62/18/74/1197621874.db2.gz GBQFUPMVXMHBIJ-HDJSIYSDSA-N 1 3 346.500 2.088 10 30 EEEEHO C#CCN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000886576184 1202526251 /nfs/dbraw/zinc/52/62/51/1202526251.db2.gz ZKDHSZGFVUFHHI-LJQANCHMSA-N 1 3 339.483 2.065 10 30 EEEEHO C#CCN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000886576184 1202526253 /nfs/dbraw/zinc/52/62/53/1202526253.db2.gz ZKDHSZGFVUFHHI-LJQANCHMSA-N 1 3 339.483 2.065 10 30 EEEEHO C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)CCCC[NH+](C)C ZINC001274991511 1205228618 /nfs/dbraw/zinc/22/86/18/1205228618.db2.gz JAEZXIFBOOVFMM-MRXNPFEDSA-N 1 3 333.451 2.003 10 30 EEEEHO C[C@H](CCCNCc1ccccc1C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001277335312 1302478440 /nfs/dbraw/zinc/47/84/40/1302478440.db2.gz MDACUWRPEVUZLV-MRXNPFEDSA-N 1 3 340.471 2.029 10 30 EEEEHO C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278550774 1317216465 /nfs/dbraw/zinc/21/64/65/1317216465.db2.gz ZBQIUOOONIKKCY-ROUUACIJSA-N 1 3 325.472 2.213 10 30 EEEEHO CC#CC[NH2+][C@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC001278667569 1317608336 /nfs/dbraw/zinc/60/83/36/1317608336.db2.gz RSAQXLGIFNXTJV-KXBFYZLASA-N 1 3 337.483 2.049 10 30 EEEEHO C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001264126383 1322635430 /nfs/dbraw/zinc/63/54/30/1322635430.db2.gz UKCJGQHSABJLEV-QZTJIDSGSA-N 1 3 339.524 2.136 10 30 EEEEHO C=CC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001264594118 1322744937 /nfs/dbraw/zinc/74/49/37/1322744937.db2.gz FFKYTFVYUTZCDU-ZIAGYGMSSA-N 1 3 335.414 2.131 10 30 EEEEHO CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001264677997 1322779827 /nfs/dbraw/zinc/77/98/27/1322779827.db2.gz NCAPZWHDJSKLGG-SJORKVTESA-N 1 3 325.472 2.050 10 30 EEEEHO CC#CCN1CCC2(C[C@@H]2NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001265335700 1323083138 /nfs/dbraw/zinc/08/31/38/1323083138.db2.gz DXTHPBUOIWLSRM-SFHVURJKSA-N 1 3 331.504 2.247 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001265978681 1323537805 /nfs/dbraw/zinc/53/78/05/1323537805.db2.gz URVKUFFTJZLKQC-YZGWKJHDSA-N 1 3 345.531 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001265978681 1323537808 /nfs/dbraw/zinc/53/78/08/1323537808.db2.gz URVKUFFTJZLKQC-YZGWKJHDSA-N 1 3 345.531 2.206 10 30 EEEEHO C#CCC[N@H+]1CCCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001282973170 1325861843 /nfs/dbraw/zinc/86/18/43/1325861843.db2.gz QCKXJMGRPQGVBQ-UHFFFAOYSA-N 1 3 333.520 2.446 10 30 EEEEHO C#CCC[N@@H+]1CCCC2(CN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001282973170 1325861844 /nfs/dbraw/zinc/86/18/44/1325861844.db2.gz QCKXJMGRPQGVBQ-UHFFFAOYSA-N 1 3 333.520 2.446 10 30 EEEEHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC#Cc2ccc(F)cc2)C1)N(C)C ZINC001284789511 1326715369 /nfs/dbraw/zinc/71/53/69/1326715369.db2.gz CDQGBSAWAIMKSP-ACBHZAAOSA-N 1 3 345.462 2.096 10 30 EEEEHO CC#CCN1CCC[C@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317139559 1332095804 /nfs/dbraw/zinc/09/58/04/1332095804.db2.gz JXVOSNZSPUCFSD-VQIMIIECSA-N 1 3 337.483 2.050 10 30 EEEEHO CC#CCN1CCC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317139559 1332095808 /nfs/dbraw/zinc/09/58/08/1332095808.db2.gz JXVOSNZSPUCFSD-VQIMIIECSA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@H+](CC2CCC2)C(C)C)CC1 ZINC001317709077 1332383049 /nfs/dbraw/zinc/38/30/49/1332383049.db2.gz SCEGIRGXWXGYMV-UHFFFAOYSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC2CCC2)C(C)C)CC1 ZINC001317709077 1332383051 /nfs/dbraw/zinc/38/30/51/1332383051.db2.gz SCEGIRGXWXGYMV-UHFFFAOYSA-N 1 3 333.520 2.348 10 30 EEEEHO CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H](F)CN(CC)CC)C2)CC1 ZINC001323832989 1333549658 /nfs/dbraw/zinc/54/96/58/1333549658.db2.gz UFSRBTIBBPZPKR-KRWDZBQOSA-N 1 3 337.483 2.004 10 30 EEEEHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001331602619 1335044275 /nfs/dbraw/zinc/04/42/75/1335044275.db2.gz ZPBGOEWAJBXGPV-INIZCTEOSA-N 1 3 349.906 2.470 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001331602619 1335044277 /nfs/dbraw/zinc/04/42/77/1335044277.db2.gz ZPBGOEWAJBXGPV-INIZCTEOSA-N 1 3 349.906 2.470 10 30 EEEEHO C#CC[C@@H]1CCCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000848236790 1338602078 /nfs/dbraw/zinc/60/20/78/1338602078.db2.gz KIUTZSWNZGARQO-GOSISDBHSA-N 1 3 345.531 2.445 10 30 EEEEHO C#CCN(C(=O)c1cccc(CN(C)C)c1)C1CC[NH+](CC)CC1 ZINC001569595808 1342905151 /nfs/dbraw/zinc/90/51/51/1342905151.db2.gz CBWASZXGJATXOI-UHFFFAOYSA-N 1 3 327.472 2.308 10 30 EEEEHO C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001666145016 1355465849 /nfs/dbraw/zinc/46/58/49/1355465849.db2.gz BNLMLDKJNPKQQH-VQIMIIECSA-N 1 3 337.483 2.050 10 30 EEEEHO C[C@H](CCNCc1ccccc1C#N)NC(=O)C12CCC[NH+]1CCC2 ZINC001668121860 1355876800 /nfs/dbraw/zinc/87/68/00/1355876800.db2.gz CKUXLUAFQKDKRW-MRXNPFEDSA-N 1 3 340.471 2.171 10 30 EEEEHO C[C@H](CNCC#Cc1ccc(Cl)cc1)N(C)C(=O)CC[NH+](C)C ZINC001698845502 1405105019 /nfs/dbraw/zinc/10/50/19/1405105019.db2.gz ZRTXOWLWEYOCGS-OAHLLOKOSA-N 1 3 335.879 2.080 10 30 EEEEHO C#CCN(C(=O)NCCC[N@H+](C)C1CCCCC1)C1CCN(C)CC1 ZINC000914077420 794836670 /nfs/dbraw/zinc/83/66/70/794836670.db2.gz KPMGDMVBZLGTSD-UHFFFAOYSA-N 1 3 348.535 2.380 10 30 EEEEHO C#CCN(C(=O)NCCC[N@@H+](C)C1CCCCC1)C1CCN(C)CC1 ZINC000914077420 794836676 /nfs/dbraw/zinc/83/66/76/794836676.db2.gz KPMGDMVBZLGTSD-UHFFFAOYSA-N 1 3 348.535 2.380 10 30 EEEEHO C#CCN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C1CCN(C)CC1 ZINC000914099806 794873739 /nfs/dbraw/zinc/87/37/39/794873739.db2.gz KLKPJRGXZJBZAM-SFHVURJKSA-N 1 3 348.535 2.380 10 30 EEEEHO C#CCN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C1CCN(C)CC1 ZINC000914099806 794873748 /nfs/dbraw/zinc/87/37/48/794873748.db2.gz KLKPJRGXZJBZAM-SFHVURJKSA-N 1 3 348.535 2.380 10 30 EEEEHO C#CCC[NH2+]Cc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC001495507052 1101219870 /nfs/dbraw/zinc/21/98/70/1101219870.db2.gz CYKVXNHTROUEMW-IAGOWNOFSA-N 1 3 327.472 2.289 10 30 EEEEHO CC(C)N(C)CC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC001495964036 1101848849 /nfs/dbraw/zinc/84/88/49/1101848849.db2.gz WKAMOHVWSQWXIS-UHFFFAOYSA-N 1 3 341.499 2.397 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480708521 1106928733 /nfs/dbraw/zinc/92/87/33/1106928733.db2.gz GXVOIUOMNUEYTJ-CABCVRRESA-N 1 3 348.516 2.477 10 30 EEEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001499066432 1108530431 /nfs/dbraw/zinc/53/04/31/1108530431.db2.gz IDAULUDBRGRFIS-CRAIPNDOSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001499066432 1108530434 /nfs/dbraw/zinc/53/04/34/1108530434.db2.gz IDAULUDBRGRFIS-CRAIPNDOSA-N 1 3 325.472 2.356 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC001499231174 1112190520 /nfs/dbraw/zinc/19/05/20/1112190520.db2.gz UWYINLAGBVRHRH-ZWKOTPCHSA-N 1 3 340.471 2.027 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC001499231174 1112190523 /nfs/dbraw/zinc/19/05/23/1112190523.db2.gz UWYINLAGBVRHRH-ZWKOTPCHSA-N 1 3 340.471 2.027 10 30 EEEEHO CC#CCN1CCC[C@@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001500546919 1112937723 /nfs/dbraw/zinc/93/77/23/1112937723.db2.gz KKPZXNCEQPHHMK-NRFANRHFSA-N 1 3 345.531 2.350 10 30 EEEEHO N#Cc1ccc(CC(C#N)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000372982355 268085651 /nfs/dbraw/zinc/08/56/51/268085651.db2.gz LZCRGAYKKZUUCV-VIQWUECVSA-N 1 3 336.439 2.374 10 30 EEEEHO C=CCOc1ccccc1CN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000092615684 462966286 /nfs/dbraw/zinc/96/62/86/462966286.db2.gz JYWCDGXNFKQRJM-UHFFFAOYSA-N 1 3 345.487 2.141 10 30 EEEEHO C[C@@]1(NCC#CC[NH2+][C@@]2(C)CCO[C@H]2C2CC2)CCO[C@H]1C1CC1 ZINC000367465508 466356367 /nfs/dbraw/zinc/35/63/67/466356367.db2.gz ZXJNNQHQKMSYCN-LWYYNNOASA-N 1 3 332.488 2.084 10 30 EEEEHO C[C@@]1([NH2+]CC#CCN[C@@]2(C)CCO[C@H]2C2CC2)CCO[C@H]1C1CC1 ZINC000367465508 466356373 /nfs/dbraw/zinc/35/63/73/466356373.db2.gz ZXJNNQHQKMSYCN-LWYYNNOASA-N 1 3 332.488 2.084 10 30 EEEEHO N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000600721953 468635212 /nfs/dbraw/zinc/63/52/12/468635212.db2.gz OCFKAVIFAYIATB-RBUKOAKNSA-N 1 3 327.472 2.195 10 30 EEEEHO N#CC1(C[C@@H](O)CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000600721953 468635218 /nfs/dbraw/zinc/63/52/18/468635218.db2.gz OCFKAVIFAYIATB-RBUKOAKNSA-N 1 3 327.472 2.195 10 30 EEEEHO N#CC1(C[C@@H](O)CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000600721953 468635226 /nfs/dbraw/zinc/63/52/26/468635226.db2.gz OCFKAVIFAYIATB-RBUKOAKNSA-N 1 3 327.472 2.195 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729204 468638057 /nfs/dbraw/zinc/63/80/57/468638057.db2.gz SMWCIYACNIWTKK-ROUUACIJSA-N 1 3 337.508 2.015 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729204 468638062 /nfs/dbraw/zinc/63/80/62/468638062.db2.gz SMWCIYACNIWTKK-ROUUACIJSA-N 1 3 337.508 2.015 10 30 EEEEHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729204 468638065 /nfs/dbraw/zinc/63/80/65/468638065.db2.gz SMWCIYACNIWTKK-ROUUACIJSA-N 1 3 337.508 2.015 10 30 EEEEHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691402256 1178011050 /nfs/dbraw/zinc/01/10/50/1178011050.db2.gz ITMXBKFKZIFQFB-QAPCUYQASA-N 1 3 325.472 2.308 10 30 EEEEHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691402256 1178011059 /nfs/dbraw/zinc/01/10/59/1178011059.db2.gz ITMXBKFKZIFQFB-QAPCUYQASA-N 1 3 325.472 2.308 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C1CCC1 ZINC001691427975 1178323244 /nfs/dbraw/zinc/32/32/44/1178323244.db2.gz HIQJZJWTKOYOFS-NZSAHSFTSA-N 1 3 331.504 2.099 10 30 EEEEHO CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C1CCC1 ZINC001691427975 1178323251 /nfs/dbraw/zinc/32/32/51/1178323251.db2.gz HIQJZJWTKOYOFS-NZSAHSFTSA-N 1 3 331.504 2.099 10 30 EEEEHO C#CCN1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](CCCF)C2)CC1 ZINC001267549988 1179336627 /nfs/dbraw/zinc/33/66/27/1179336627.db2.gz MUOPPUQJIXUTST-GOSISDBHSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CCN1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001267549988 1179336634 /nfs/dbraw/zinc/33/66/34/1179336634.db2.gz MUOPPUQJIXUTST-GOSISDBHSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](C)CC)CC2)CC1 ZINC001267932606 1180783446 /nfs/dbraw/zinc/78/34/46/1180783446.db2.gz WIPGKVKFGLGGDX-WDSOQIARSA-N 1 3 333.520 2.395 10 30 EEEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001482437384 1185715396 /nfs/dbraw/zinc/71/53/96/1185715396.db2.gz NTNCTEGOIWSQCC-VQIMIIECSA-N 1 3 327.472 2.212 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]CCC)CC2)CC1 ZINC001271789596 1186486937 /nfs/dbraw/zinc/48/69/37/1186486937.db2.gz MRHONIVPMOFSKA-IYARVYRRSA-N 1 3 333.520 2.254 10 30 EEEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485824283 1193457727 /nfs/dbraw/zinc/45/77/27/1193457727.db2.gz JZWLKHDXJQUMAY-BPUTZDHNSA-N 1 3 327.900 2.296 10 30 EEEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485824283 1193457728 /nfs/dbraw/zinc/45/77/28/1193457728.db2.gz JZWLKHDXJQUMAY-BPUTZDHNSA-N 1 3 327.900 2.296 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@H]1C ZINC001483914818 1191114761 /nfs/dbraw/zinc/11/47/61/1191114761.db2.gz RMTCKNHEJVQHDS-APWZRJJASA-N 1 3 342.487 2.368 10 30 EEEEHO CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001485084673 1191647537 /nfs/dbraw/zinc/64/75/37/1191647537.db2.gz PNJCARDHAUIOIW-IBGZPJMESA-N 1 3 333.520 2.302 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001485084673 1191647538 /nfs/dbraw/zinc/64/75/38/1191647538.db2.gz PNJCARDHAUIOIW-IBGZPJMESA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001275816748 1205548098 /nfs/dbraw/zinc/54/80/98/1205548098.db2.gz MTCWLGFEEHHXHU-VQTJNVASSA-N 1 3 345.531 2.396 10 30 EEEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cc(F)c(F)c(F)c1 ZINC000305886496 1217423260 /nfs/dbraw/zinc/42/32/60/1217423260.db2.gz YJCZEIQCGSPFGN-LBPRGKRZSA-N 1 3 328.382 2.035 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000901171018 1235312714 /nfs/dbraw/zinc/31/27/14/1235312714.db2.gz GGZFJFLVLBFKOS-MRXNPFEDSA-N 1 3 330.476 2.231 10 30 EEEEHO C#CCN(C(=O)[C@H]1CCCN1C(C)C)C1CC[NH+](CCC=C)CC1 ZINC001278151766 1306113157 /nfs/dbraw/zinc/11/31/57/1306113157.db2.gz WYQHJESYGDPJNL-LJQANCHMSA-N 1 3 331.504 2.362 10 30 EEEEHO CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001264032034 1322592744 /nfs/dbraw/zinc/59/27/44/1322592744.db2.gz GHJLJXVFJNGRIK-QRQLOZEOSA-N 1 3 333.520 2.347 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001264440554 1322703297 /nfs/dbraw/zinc/70/32/97/1322703297.db2.gz GDYNTBXKPRXKCY-KESTWPANSA-N 1 3 345.531 2.396 10 30 EEEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266235155 1323818772 /nfs/dbraw/zinc/81/87/72/1323818772.db2.gz SAEBQZILFZQAJH-GOEBONIOSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266235155 1323818781 /nfs/dbraw/zinc/81/87/81/1323818781.db2.gz SAEBQZILFZQAJH-GOEBONIOSA-N 1 3 327.900 2.442 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001316642800 1327338360 /nfs/dbraw/zinc/33/83/60/1327338360.db2.gz WCVRDBPDBUZAKR-UAPYVXQJSA-N 1 3 333.520 2.252 10 30 EEEEHO C#CC[NH2+]CCc1ccc(CNC(=O)C(C)(C)N2CCCCC2)cc1 ZINC001317365649 1332197128 /nfs/dbraw/zinc/19/71/28/1332197128.db2.gz FEFLVNLDQVLLRX-UHFFFAOYSA-N 1 3 341.499 2.333 10 30 EEEEHO CC#CCNCc1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001319009297 1332636627 /nfs/dbraw/zinc/63/66/27/1332636627.db2.gz VOSZCSULYKSPQV-UHFFFAOYSA-N 1 3 327.472 2.292 10 30 EEEEHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001326225212 1334047990 /nfs/dbraw/zinc/04/79/90/1334047990.db2.gz SQSGAHXFUGVQMI-PBHICJAKSA-N 1 3 346.500 2.042 10 30 EEEEHO C=C(C[NH+](C)C)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC001623918129 1352408560 /nfs/dbraw/zinc/40/85/60/1352408560.db2.gz LUUBNTZTZFNZPO-SFHVURJKSA-N 1 3 331.460 2.066 10 30 EEEEHO C#CCN1CCC(C(=O)NC2CCC([NH2+]C/C=C\Cl)CC2)CC1 ZINC001662142036 1354754633 /nfs/dbraw/zinc/75/46/33/1354754633.db2.gz LGTPXOXNLCZIIX-KMKOMSMNSA-N 1 3 337.895 2.101 10 30 EEEEHO CC(C)[C@@H](C(=O)NC[C@H](C)NCC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001662394588 1354790301 /nfs/dbraw/zinc/79/03/01/1354790301.db2.gz LYYPSOBDYNJVIG-YJBOKZPZSA-N 1 3 349.906 2.372 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC=C)CC2)CC1 ZINC001673406752 1354852403 /nfs/dbraw/zinc/85/24/03/1354852403.db2.gz IWPBRQLHPBJCBE-LJQANCHMSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC=C)CC2)CC1 ZINC001673406752 1354852409 /nfs/dbraw/zinc/85/24/09/1354852409.db2.gz IWPBRQLHPBJCBE-LJQANCHMSA-N 1 3 331.504 2.269 10 30 EEEEHO CC[C@@H](C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001669395366 1356154401 /nfs/dbraw/zinc/15/44/01/1356154401.db2.gz AJGVXCADTDVSEE-APWZRJJASA-N 1 3 347.478 2.392 10 30 EEEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001671497999 1356350659 /nfs/dbraw/zinc/35/06/59/1356350659.db2.gz ZEEGXDITZJVFOH-UHFFFAOYSA-N 1 3 330.476 2.315 10 30 EEEEHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001671784729 1356414006 /nfs/dbraw/zinc/41/40/06/1356414006.db2.gz KSCGFMBSIKDEIA-MOPGFXCFSA-N 1 3 337.483 2.050 10 30 EEEEHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001698772111 1405052806 /nfs/dbraw/zinc/05/28/06/1405052806.db2.gz LQCPESJCTIBXHY-INIZCTEOSA-N 1 3 349.906 2.375 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CCCC)C2)CC1 ZINC001699878876 1405545531 /nfs/dbraw/zinc/54/55/31/1405545531.db2.gz DEPVWWGTAABFDH-HXUWFJFHSA-N 1 3 333.520 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](CCCC)C2)CC1 ZINC001699878876 1405545535 /nfs/dbraw/zinc/54/55/35/1405545535.db2.gz DEPVWWGTAABFDH-HXUWFJFHSA-N 1 3 333.520 2.350 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000912305171 788103130 /nfs/dbraw/zinc/10/31/30/788103130.db2.gz UFQVVLPYSYLKDH-LOTPSLMQSA-N 1 3 334.508 2.095 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000912305171 788103137 /nfs/dbraw/zinc/10/31/37/788103137.db2.gz UFQVVLPYSYLKDH-LOTPSLMQSA-N 1 3 334.508 2.095 10 30 EEEEHO CC[C@H](C(=O)NCC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)N(C)C ZINC001437949097 1090546179 /nfs/dbraw/zinc/54/61/79/1090546179.db2.gz OITARJHAKAAIMB-RBUKOAKNSA-N 1 3 342.487 2.227 10 30 EEEEHO CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)N(C)C ZINC001437949097 1090546183 /nfs/dbraw/zinc/54/61/83/1090546183.db2.gz OITARJHAKAAIMB-RBUKOAKNSA-N 1 3 342.487 2.227 10 30 EEEEHO CCCC[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001441144586 1094481715 /nfs/dbraw/zinc/48/17/15/1094481715.db2.gz ZQFLXCSCRYTONO-CABCVRRESA-N 1 3 348.516 2.336 10 30 EEEEHO CCCC[C@@H](CNCc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001441144586 1094481718 /nfs/dbraw/zinc/48/17/18/1094481718.db2.gz ZQFLXCSCRYTONO-CABCVRRESA-N 1 3 348.516 2.336 10 30 EEEEHO C=C(Cl)CN[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC001441930717 1096119075 /nfs/dbraw/zinc/11/90/75/1096119075.db2.gz XHXDAPNSXXZLNA-ROUUACIJSA-N 1 3 349.906 2.398 10 30 EEEEHO C=C(Cl)CN[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001441930717 1096119082 /nfs/dbraw/zinc/11/90/82/1096119082.db2.gz XHXDAPNSXXZLNA-ROUUACIJSA-N 1 3 349.906 2.398 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442206119 1096491630 /nfs/dbraw/zinc/49/16/30/1096491630.db2.gz PFGORKNPOPOLNK-RBUKOAKNSA-N 1 3 342.487 2.415 10 30 EEEEHO CC(C)N(C)CC(=O)NC1(C[NH2+]Cc2cccc(C#N)c2)CCCC1 ZINC001495211554 1100894348 /nfs/dbraw/zinc/89/43/48/1100894348.db2.gz ONZWOLSOSBKWPU-UHFFFAOYSA-N 1 3 342.487 2.417 10 30 EEEEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001447872739 1103487550 /nfs/dbraw/zinc/48/75/50/1103487550.db2.gz SGAKZNBBOXFCFN-ZIAGYGMSSA-N 1 3 346.450 2.164 10 30 EEEEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001494082367 1103492390 /nfs/dbraw/zinc/49/23/90/1103492390.db2.gz FAOUGIJFYVBNNY-KRWDZBQOSA-N 1 3 342.487 2.227 10 30 EEEEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001494082367 1103492399 /nfs/dbraw/zinc/49/23/99/1103492399.db2.gz FAOUGIJFYVBNNY-KRWDZBQOSA-N 1 3 342.487 2.227 10 30 EEEEHO CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)CN1CCC(C)CC1 ZINC001501199890 1113239223 /nfs/dbraw/zinc/23/92/23/1113239223.db2.gz HBZGKOQAJCQTCD-UHFFFAOYSA-N 1 3 341.499 2.360 10 30 EEEEHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CCC[C@H]3C#N)CC2)CC1 ZINC000601817063 469039258 /nfs/dbraw/zinc/03/92/58/469039258.db2.gz LPCQKKSUZRYGKZ-HKUYNNGSSA-N 1 3 346.519 2.333 10 30 EEEEHO CC[C@H](C(=O)NCC[C@@H]([NH2+]CC#Cc1ccccc1)C(C)C)N(C)C ZINC001485791969 1191954960 /nfs/dbraw/zinc/95/49/60/1191954960.db2.gz QPJFFGRGBVCGGS-WOJBJXKFSA-N 1 3 343.515 2.499 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266939298 1177852960 /nfs/dbraw/zinc/85/29/60/1177852960.db2.gz FBMJXBLIUBKXPD-MJGOQNOKSA-N 1 3 327.472 2.005 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266939298 1177852967 /nfs/dbraw/zinc/85/29/67/1177852967.db2.gz FBMJXBLIUBKXPD-MJGOQNOKSA-N 1 3 327.472 2.005 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001691319775 1177904890 /nfs/dbraw/zinc/90/48/90/1177904890.db2.gz VHFOPZOUCDFULJ-UHFFFAOYSA-N 1 3 348.516 2.432 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001266994345 1178052413 /nfs/dbraw/zinc/05/24/13/1178052413.db2.gz LPJIBXPOHPOVHB-MSOLQXFVSA-N 1 3 341.499 2.496 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001268115838 1181761287 /nfs/dbraw/zinc/76/12/87/1181761287.db2.gz YVTWMVDPIWDEAO-GOSISDBHSA-N 1 3 329.488 2.207 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001268115838 1181761292 /nfs/dbraw/zinc/76/12/92/1181761292.db2.gz YVTWMVDPIWDEAO-GOSISDBHSA-N 1 3 329.488 2.207 10 30 EEEEHO CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1)N(C)C ZINC001482017576 1183137578 /nfs/dbraw/zinc/13/75/78/1183137578.db2.gz AJCWVPBWXVFWHQ-VAMGGRTRSA-N 1 3 341.499 2.395 10 30 EEEEHO C#CCN1CCC([C@H](C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001279156797 1193551675 /nfs/dbraw/zinc/55/16/75/1193551675.db2.gz YJWBPWPORJYYRA-KXBFYZLASA-N 1 3 337.483 2.049 10 30 EEEEHO C#CCN1CCC([C@H](C)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001279156797 1193551676 /nfs/dbraw/zinc/55/16/76/1193551676.db2.gz YJWBPWPORJYYRA-KXBFYZLASA-N 1 3 337.483 2.049 10 30 EEEEHO C#CC[NH+]1CCC([C@H](C)NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001279156797 1193551678 /nfs/dbraw/zinc/55/16/78/1193551678.db2.gz YJWBPWPORJYYRA-KXBFYZLASA-N 1 3 337.483 2.049 10 30 EEEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001483681061 1190742441 /nfs/dbraw/zinc/74/24/41/1190742441.db2.gz CUHHAZOHJOMTFK-ZCNNSNEGSA-N 1 3 341.499 2.489 10 30 EEEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483681061 1190742444 /nfs/dbraw/zinc/74/24/44/1190742444.db2.gz CUHHAZOHJOMTFK-ZCNNSNEGSA-N 1 3 341.499 2.489 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000876767324 1199765080 /nfs/dbraw/zinc/76/50/80/1199765080.db2.gz GPQHHFQUHQDIGP-XOKHGSTOSA-N 1 3 335.879 2.483 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000876767324 1199765082 /nfs/dbraw/zinc/76/50/82/1199765082.db2.gz GPQHHFQUHQDIGP-XOKHGSTOSA-N 1 3 335.879 2.483 10 30 EEEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000876779911 1199771276 /nfs/dbraw/zinc/77/12/76/1199771276.db2.gz NTEFIDQGZZXBFH-MRXNPFEDSA-N 1 3 336.867 2.237 10 30 EEEEHO CN(CC(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)C1CC1)C1CCC1 ZINC001490673949 1291557973 /nfs/dbraw/zinc/55/79/73/1291557973.db2.gz NANCWDKPDWWWKY-FQEVSTJZSA-N 1 3 339.483 2.007 10 30 EEEEHO O=C(C#CC1CC[NH2+]CC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000852858999 1292218508 /nfs/dbraw/zinc/21/85/08/1292218508.db2.gz LDACFACDFJMVPH-HXUWFJFHSA-N 1 3 339.483 2.333 10 30 EEEEHO C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001278747887 1317957530 /nfs/dbraw/zinc/95/75/30/1317957530.db2.gz ULVKLYLKMOVTGB-CABCVRRESA-N 1 3 331.451 2.222 10 30 EEEEHO C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001278747887 1317957535 /nfs/dbraw/zinc/95/75/35/1317957535.db2.gz ULVKLYLKMOVTGB-CABCVRRESA-N 1 3 331.451 2.222 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001265235978 1323002954 /nfs/dbraw/zinc/00/29/54/1323002954.db2.gz ZTTDTZWTDQHVPY-MJGOQNOKSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001265235978 1323002961 /nfs/dbraw/zinc/00/29/61/1323002961.db2.gz ZTTDTZWTDQHVPY-MJGOQNOKSA-N 1 3 331.504 2.267 10 30 EEEEHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266074627 1323630249 /nfs/dbraw/zinc/63/02/49/1323630249.db2.gz CAFKOOBFXZGZNT-PMACEKPBSA-N 1 3 341.499 2.397 10 30 EEEEHO C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCCN2C(C)C)cc1 ZINC001567183807 1342706775 /nfs/dbraw/zinc/70/67/75/1342706775.db2.gz PIBGWDKQVLROAL-HXUWFJFHSA-N 1 3 341.499 2.331 10 30 EEEEHO C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001569828845 1342954417 /nfs/dbraw/zinc/95/44/17/1342954417.db2.gz PIRUXDBFUSNSOI-VQIMIIECSA-N 1 3 327.472 2.212 10 30 EEEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001671504028 1356352048 /nfs/dbraw/zinc/35/20/48/1356352048.db2.gz KYEUJGICSQBZQJ-HXUWFJFHSA-N 1 3 341.499 2.453 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001439323809 1091999270 /nfs/dbraw/zinc/99/92/70/1091999270.db2.gz GIRSXMWMNMSJON-ZYSHUDEJSA-N 1 3 342.487 2.225 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN(C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001439323809 1091999276 /nfs/dbraw/zinc/99/92/76/1091999276.db2.gz GIRSXMWMNMSJON-ZYSHUDEJSA-N 1 3 342.487 2.225 10 30 EEEEHO CC(C)[C@H](C(=O)NCC1(NCc2ccc(C#N)c(F)c2)CC1)[NH+](C)C ZINC001439644347 1092567543 /nfs/dbraw/zinc/56/75/43/1092567543.db2.gz COXYBRTYKAYQNP-QGZVFWFLSA-N 1 3 346.450 2.022 10 30 EEEEHO C=C(Cl)CN[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC001441930707 1096118815 /nfs/dbraw/zinc/11/88/15/1096118815.db2.gz XHXDAPNSXXZLNA-QZTJIDSGSA-N 1 3 349.906 2.398 10 30 EEEEHO C=C(Cl)CN[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001441930707 1096118817 /nfs/dbraw/zinc/11/88/17/1096118817.db2.gz XHXDAPNSXXZLNA-QZTJIDSGSA-N 1 3 349.906 2.398 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H](F)CC)CC2)CC1 ZINC001495479958 1101189658 /nfs/dbraw/zinc/18/96/58/1101189658.db2.gz QMGORGANZJHORG-KZNAEPCWSA-N 1 3 337.483 2.097 10 30 EEEEHO C#CCN1CCC(C)(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001500439732 1112833279 /nfs/dbraw/zinc/83/32/79/1112833279.db2.gz RCEIQTAGCMWCIR-UHFFFAOYSA-N 1 3 341.499 2.256 10 30 EEEEHO C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001505677243 1114125571 /nfs/dbraw/zinc/12/55/71/1114125571.db2.gz FWOUDOYGOCSSBT-KBPBESRZSA-N 1 3 334.439 2.022 10 30 EEEEHO C#CCC[NH2+]CC1(NC(=O)c2cccc(CN(C)C)c2)CCCC1 ZINC001568011698 1124229202 /nfs/dbraw/zinc/22/92/02/1124229202.db2.gz MFQXJSKKKJJRHV-UHFFFAOYSA-N 1 3 327.472 2.404 10 30 EEEEHO N#Cc1cccc(S(=O)(=O)CCNCCCCC[NH+]2CCCC2)c1 ZINC000521427769 268285666 /nfs/dbraw/zinc/28/56/66/268285666.db2.gz RZVJBLGSZBCXFT-UHFFFAOYSA-N 1 3 349.500 2.188 10 30 EEEEHO CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000594435419 468585835 /nfs/dbraw/zinc/58/58/35/468585835.db2.gz DVQVIVVECNYHKK-ZWKOTPCHSA-N 1 3 328.460 2.131 10 30 EEEEHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000598540318 468906677 /nfs/dbraw/zinc/90/66/77/468906677.db2.gz NXFQNFVNMLZYAZ-RTBURBONSA-N 1 3 343.471 2.328 10 30 EEEEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H](N)CCCCC#N ZINC000602583717 469371654 /nfs/dbraw/zinc/37/16/54/469371654.db2.gz RVFRMFXVNNFQMM-NZSAHSFTSA-N 1 3 342.487 2.282 10 30 EEEEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H](N)CCCCC#N ZINC000602583717 469371661 /nfs/dbraw/zinc/37/16/61/469371661.db2.gz RVFRMFXVNNFQMM-NZSAHSFTSA-N 1 3 342.487 2.282 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659450353 471634363 /nfs/dbraw/zinc/63/43/63/471634363.db2.gz MRSSJJNXRSQRTG-KRWDZBQOSA-N 1 3 334.508 2.058 10 30 EEEEHO C=CCN1CCC(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662449340 472112767 /nfs/dbraw/zinc/11/27/67/472112767.db2.gz YIDVIODQMVPNLF-KRWDZBQOSA-N 1 3 327.472 2.445 10 30 EEEEHO C[NH+]=C(NCCN(C)C1CCCCC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262443715 686104010 /nfs/dbraw/zinc/10/40/10/686104010.db2.gz IFEOORJZRNFJHC-MRXNPFEDSA-N 1 3 346.523 2.049 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001482172860 1183500118 /nfs/dbraw/zinc/50/01/18/1183500118.db2.gz ZPXREHOZJIZMPG-GOSISDBHSA-N 1 3 341.499 2.182 10 30 EEEEHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCc1ccc(C#N)s1 ZINC001268629948 1183554235 /nfs/dbraw/zinc/55/42/35/1183554235.db2.gz BDXOPANWKHXBFU-LAQIPUCWSA-N 1 3 346.500 2.256 10 30 EEEEHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/CNCc1ccc(C#N)s1 ZINC001268629948 1183554238 /nfs/dbraw/zinc/55/42/38/1183554238.db2.gz BDXOPANWKHXBFU-LAQIPUCWSA-N 1 3 346.500 2.256 10 30 EEEEHO C=C(Br)CNCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001482901398 1187813785 /nfs/dbraw/zinc/81/37/85/1187813785.db2.gz KAGNEDHMHMBGAN-AWEZNQCLSA-N 1 3 346.313 2.255 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC#Cc1cccc(Cl)c1 ZINC001483943306 1191126055 /nfs/dbraw/zinc/12/60/55/1191126055.db2.gz SZRUVVXEYKXSQP-SFHVURJKSA-N 1 3 347.890 2.224 10 30 EEEEHO C#CCN[C@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001484558385 1191414632 /nfs/dbraw/zinc/41/46/32/1191414632.db2.gz FIPFLDPNJCJGPU-VQIMIIECSA-N 1 3 327.472 2.461 10 30 EEEEHO C#CCN[C@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001484558385 1191414633 /nfs/dbraw/zinc/41/46/33/1191414633.db2.gz FIPFLDPNJCJGPU-VQIMIIECSA-N 1 3 327.472 2.461 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000876876319 1199801986 /nfs/dbraw/zinc/80/19/86/1199801986.db2.gz NRNBITHCPGFSHQ-KRWDZBQOSA-N 1 3 337.895 2.479 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001275407809 1205344461 /nfs/dbraw/zinc/34/44/61/1205344461.db2.gz WFCPBGQHPVJWFG-RDJZCZTQSA-N 1 3 347.890 2.128 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001275407809 1205344463 /nfs/dbraw/zinc/34/44/63/1205344463.db2.gz WFCPBGQHPVJWFG-RDJZCZTQSA-N 1 3 347.890 2.128 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccccc1SCC#N ZINC000855345871 1293184375 /nfs/dbraw/zinc/18/43/75/1293184375.db2.gz JHCWJEWEZIJFEM-HNNXBMFYSA-N 1 3 348.516 2.304 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccccc1SCC#N ZINC000855345871 1293184379 /nfs/dbraw/zinc/18/43/79/1293184379.db2.gz JHCWJEWEZIJFEM-HNNXBMFYSA-N 1 3 348.516 2.304 10 30 EEEEHO C[C@@H](CCCNCc1ccccc1C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC001277335311 1302478692 /nfs/dbraw/zinc/47/86/92/1302478692.db2.gz MDACUWRPEVUZLV-INIZCTEOSA-N 1 3 340.471 2.029 10 30 EEEEHO C=CCC[NH2+]CC1(NC(=O)[C@@H](C)N2CCCCCC2)CCOCC1 ZINC001281266020 1324923760 /nfs/dbraw/zinc/92/37/60/1324923760.db2.gz JNKYKFLXGAUOJU-QGZVFWFLSA-N 1 3 337.508 2.082 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+]([C@@H](C)CCC=C)C2)CC1 ZINC001282740972 1325777288 /nfs/dbraw/zinc/77/72/88/1325777288.db2.gz PTCZSLVQBROKFM-DLBZAZTESA-N 1 3 331.504 2.123 10 30 EEEEHO C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCCN1CC ZINC001317201159 1332129542 /nfs/dbraw/zinc/12/95/42/1332129542.db2.gz ZBIVNCURDDJXGC-ZWKOTPCHSA-N 1 3 337.508 2.034 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC2CC2)C2CCCC2)CC1 ZINC001569614105 1342909118 /nfs/dbraw/zinc/90/91/18/1342909118.db2.gz MSAOZEPVKIGMPD-LJQANCHMSA-N 1 3 331.504 2.006 10 30 EEEEHO C#CCN1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001571650673 1343262369 /nfs/dbraw/zinc/26/23/69/1343262369.db2.gz BOMQTEILEMOAAH-PKOBYXMFSA-N 1 3 333.520 2.347 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCC=C)CC1 ZINC001667768692 1355811138 /nfs/dbraw/zinc/81/11/38/1355811138.db2.gz AZTJORMNBFUQFO-MOPGFXCFSA-N 1 3 331.504 2.172 10 30 EEEEHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCCNCc1ccccc1C#N ZINC001670357944 1356327107 /nfs/dbraw/zinc/32/71/07/1356327107.db2.gz WYZPGSPNKYSXBA-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCCNCc1ccccc1C#N ZINC001670357944 1356327112 /nfs/dbraw/zinc/32/71/12/1356327112.db2.gz WYZPGSPNKYSXBA-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000912305170 788102681 /nfs/dbraw/zinc/10/26/81/788102681.db2.gz UFQVVLPYSYLKDH-BOMAWHNGSA-N 1 3 334.508 2.095 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000912305170 788102689 /nfs/dbraw/zinc/10/26/89/788102689.db2.gz UFQVVLPYSYLKDH-BOMAWHNGSA-N 1 3 334.508 2.095 10 30 EEEEHO Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000912305416 788103221 /nfs/dbraw/zinc/10/32/21/788103221.db2.gz YOIFRYYUMCLXCE-KRWDZBQOSA-N 1 3 344.503 2.106 10 30 EEEEHO Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000912305416 788103229 /nfs/dbraw/zinc/10/32/29/788103229.db2.gz YOIFRYYUMCLXCE-KRWDZBQOSA-N 1 3 344.503 2.106 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001480492444 1100303862 /nfs/dbraw/zinc/30/38/62/1100303862.db2.gz KLPBFRHICBWKDV-RHSMWYFYSA-N 1 3 348.516 2.334 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001480492444 1100303871 /nfs/dbraw/zinc/30/38/71/1100303871.db2.gz KLPBFRHICBWKDV-RHSMWYFYSA-N 1 3 348.516 2.334 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001447627682 1102996540 /nfs/dbraw/zinc/99/65/40/1102996540.db2.gz MJIWHDSBKQLIBH-LPHOPBHVSA-N 1 3 342.487 2.368 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001447627682 1102996547 /nfs/dbraw/zinc/99/65/47/1102996547.db2.gz MJIWHDSBKQLIBH-LPHOPBHVSA-N 1 3 342.487 2.368 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC(=C)C)CC1 ZINC001498502078 1107644079 /nfs/dbraw/zinc/64/40/79/1107644079.db2.gz FJKQZVVLIZADIU-RTBURBONSA-N 1 3 331.504 2.172 10 30 EEEEHO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001493240730 1107752064 /nfs/dbraw/zinc/75/20/64/1107752064.db2.gz UJLVUHGRKNRIQF-CRAIPNDOSA-N 1 3 325.472 2.213 10 30 EEEEHO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001493240730 1107752080 /nfs/dbraw/zinc/75/20/80/1107752080.db2.gz UJLVUHGRKNRIQF-CRAIPNDOSA-N 1 3 325.472 2.213 10 30 EEEEHO C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001500616605 1112979173 /nfs/dbraw/zinc/97/91/73/1112979173.db2.gz GJBNETQBXONONX-CVEARBPZSA-N 1 3 343.462 2.368 10 30 EEEEHO C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001500616605 1112979176 /nfs/dbraw/zinc/97/91/76/1112979176.db2.gz GJBNETQBXONONX-CVEARBPZSA-N 1 3 343.462 2.368 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001507152008 1115136249 /nfs/dbraw/zinc/13/62/49/1115136249.db2.gz LBWJFCDMWRWERL-SFHVURJKSA-N 1 3 329.488 2.207 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCC#Cc1ccccc1 ZINC001507152008 1115136250 /nfs/dbraw/zinc/13/62/50/1115136250.db2.gz LBWJFCDMWRWERL-SFHVURJKSA-N 1 3 329.488 2.207 10 30 EEEEHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C(C)C)N(C)C ZINC001568461538 1124525102 /nfs/dbraw/zinc/52/51/02/1124525102.db2.gz BKBOSQQXECFRBN-MOPGFXCFSA-N 1 3 347.478 2.248 10 30 EEEEHO CN(C)C1(C(=O)N(C)CCC[NH2+]CC#Cc2ccc(F)cc2)CCC1 ZINC001569209996 1125166751 /nfs/dbraw/zinc/16/67/51/1125166751.db2.gz NOSALHPORYHMQP-UHFFFAOYSA-N 1 3 345.462 2.100 10 30 EEEEHO C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)CN1Cc1ccccc1 ZINC000594437796 468586486 /nfs/dbraw/zinc/58/64/86/468586486.db2.gz FNNSGMSLHPXLDZ-KBAYOESNSA-N 1 3 328.460 2.177 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CC[N@@H+]1C ZINC000601019176 468720233 /nfs/dbraw/zinc/72/02/33/468720233.db2.gz DYTNWKXRJXKCIL-RBUKOAKNSA-N 1 3 342.487 2.179 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000601019176 468720235 /nfs/dbraw/zinc/72/02/35/468720235.db2.gz DYTNWKXRJXKCIL-RBUKOAKNSA-N 1 3 342.487 2.179 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000597942724 468720259 /nfs/dbraw/zinc/72/02/59/468720259.db2.gz MKCANEZELCCSIO-ZDUSSCGKSA-N 1 3 336.867 2.213 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000597942724 468720263 /nfs/dbraw/zinc/72/02/63/468720263.db2.gz MKCANEZELCCSIO-ZDUSSCGKSA-N 1 3 336.867 2.213 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267092645 1178222113 /nfs/dbraw/zinc/22/21/13/1178222113.db2.gz DTIUOZJXCJMHAQ-UXHICEINSA-N 1 3 341.499 2.395 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001267116735 1178280022 /nfs/dbraw/zinc/28/00/22/1178280022.db2.gz GPAMJSYRORQVCN-GOSISDBHSA-N 1 3 346.450 2.120 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@](C)(C[NH2+]CC2CCCC2)C2CC2)CC1 ZINC001267865223 1180652767 /nfs/dbraw/zinc/65/27/67/1180652767.db2.gz UZTZHUBLAVUPBO-OAQYLSRUSA-N 1 3 345.531 2.396 10 30 EEEEHO C#CCC[N@H+]1CC[C@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001269743090 1184582054 /nfs/dbraw/zinc/58/20/54/1184582054.db2.gz XLGYZUMWUISCAL-FQEVSTJZSA-N 1 3 333.520 2.446 10 30 EEEEHO C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001269743090 1184582059 /nfs/dbraw/zinc/58/20/59/1184582059.db2.gz XLGYZUMWUISCAL-FQEVSTJZSA-N 1 3 333.520 2.446 10 30 EEEEHO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485828114 1193479278 /nfs/dbraw/zinc/47/92/78/1193479278.db2.gz UMGWDPMGMFRXEG-QAPCUYQASA-N 1 3 325.472 2.212 10 30 EEEEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001484927161 1191573577 /nfs/dbraw/zinc/57/35/77/1191573577.db2.gz NLCSELOOXONJMO-UHFFFAOYSA-N 1 3 342.487 2.371 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485229895 1191698970 /nfs/dbraw/zinc/69/89/70/1191698970.db2.gz NMEMDEUPDAOCEN-KGLIPLIRSA-N 1 3 334.439 2.020 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275157945 1205270737 /nfs/dbraw/zinc/27/07/37/1205270737.db2.gz ZHJWLVSFOXQJEW-SFHVURJKSA-N 1 3 341.499 2.397 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001275570276 1205421121 /nfs/dbraw/zinc/42/11/21/1205421121.db2.gz FAMTYTWSQFZCTD-MSOLQXFVSA-N 1 3 341.499 2.057 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CCC2)CC1 ZINC001037123388 1213913211 /nfs/dbraw/zinc/91/32/11/1213913211.db2.gz UUGSIURQFHXYKA-MOPGFXCFSA-N 1 3 331.504 2.006 10 30 EEEEHO C=CCOCCN1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001278516179 1317081458 /nfs/dbraw/zinc/08/14/58/1317081458.db2.gz OWXVSTVIPFWKFR-ROUUACIJSA-N 1 3 349.519 2.034 10 30 EEEEHO C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001264126384 1322635369 /nfs/dbraw/zinc/63/53/69/1322635369.db2.gz UKCJGQHSABJLEV-ROUUACIJSA-N 1 3 339.524 2.136 10 30 EEEEHO C#CCN1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265526362 1323204958 /nfs/dbraw/zinc/20/49/58/1323204958.db2.gz YVMCAWQTLRLRIK-RBUKOAKNSA-N 1 3 331.504 2.199 10 30 EEEEHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccc(F)cc2)C1)N(C)C ZINC001283080458 1325912260 /nfs/dbraw/zinc/91/22/60/1325912260.db2.gz QPOYFKZQTFZUSD-WDSOQIARSA-N 1 3 345.462 2.002 10 30 EEEEHO C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001284725857 1326683923 /nfs/dbraw/zinc/68/39/23/1326683923.db2.gz JMDLIQUSQJHBDI-ZWKOTPCHSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CCC2CCCCC2)CC1 ZINC001317471257 1332257826 /nfs/dbraw/zinc/25/78/26/1332257826.db2.gz GPVMPFXDTYHDDD-UHFFFAOYSA-N 1 3 333.520 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CCC2CCCCC2)CC1 ZINC001317471257 1332257829 /nfs/dbraw/zinc/25/78/29/1332257829.db2.gz GPVMPFXDTYHDDD-UHFFFAOYSA-N 1 3 333.520 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CCC(C)(C)C)C2CC2)CC1 ZINC001317560969 1332298340 /nfs/dbraw/zinc/29/83/40/1332298340.db2.gz DSVPYBSBMZRTAG-UHFFFAOYSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CCC(C)(C)C)C2CC2)CC1 ZINC001317560969 1332298341 /nfs/dbraw/zinc/29/83/41/1332298341.db2.gz DSVPYBSBMZRTAG-UHFFFAOYSA-N 1 3 333.520 2.348 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001320414969 1332878592 /nfs/dbraw/zinc/87/85/92/1332878592.db2.gz NMSQTJYHQFQLGW-VQIMIIECSA-N 1 3 342.487 2.415 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001320414969 1332878596 /nfs/dbraw/zinc/87/85/96/1332878596.db2.gz NMSQTJYHQFQLGW-VQIMIIECSA-N 1 3 342.487 2.415 10 30 EEEEHO CC[C@H](C(=O)NC[C@H](C)NCC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001567052570 1342687256 /nfs/dbraw/zinc/68/72/56/1342687256.db2.gz GIBKGOFNAUWRGC-QFBILLFUSA-N 1 3 347.478 2.392 10 30 EEEEHO C=C(Cl)CNCCc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001567185218 1342707236 /nfs/dbraw/zinc/70/72/36/1342707236.db2.gz SOSWETMGNZXPCO-KRWDZBQOSA-N 1 3 335.879 2.139 10 30 EEEEHO C=C(Cl)CNCCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001567185218 1342707239 /nfs/dbraw/zinc/70/72/39/1342707239.db2.gz SOSWETMGNZXPCO-KRWDZBQOSA-N 1 3 335.879 2.139 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H](C)CCC[NH2+]CC#Cc1ccccc1 ZINC001649474825 1353526039 /nfs/dbraw/zinc/52/60/39/1353526039.db2.gz QYVPYEPSHXHECN-GOSISDBHSA-N 1 3 329.488 2.253 10 30 EEEEHO C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCCN1CC)c1ccccc1 ZINC001664599920 1355197766 /nfs/dbraw/zinc/19/77/66/1355197766.db2.gz WHEIXJWBSIHOSP-MOPGFXCFSA-N 1 3 327.472 2.331 10 30 EEEEHO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCCCCC)C[C@H]2C1 ZINC001675643602 1357027286 /nfs/dbraw/zinc/02/72/86/1357027286.db2.gz UMOLHYOAKYLTIH-FHWLQOOXSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCCCCC)C[C@H]2C1 ZINC001675643602 1357027290 /nfs/dbraw/zinc/02/72/90/1357027290.db2.gz UMOLHYOAKYLTIH-FHWLQOOXSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001699689974 1405444641 /nfs/dbraw/zinc/44/46/41/1405444641.db2.gz YDXWHIBQRKCSRQ-KRWDZBQOSA-N 1 3 331.504 2.055 10 30 EEEEHO C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001699689974 1405444645 /nfs/dbraw/zinc/44/46/45/1405444645.db2.gz YDXWHIBQRKCSRQ-KRWDZBQOSA-N 1 3 331.504 2.055 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000907699297 784809256 /nfs/dbraw/zinc/80/92/56/784809256.db2.gz OLEHBJNWGJRAMR-UHFFFAOYSA-N 1 3 333.476 2.093 10 30 EEEEHO C#CCCC1(CCC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)N=N1 ZINC000952880953 796064034 /nfs/dbraw/zinc/06/40/34/796064034.db2.gz JAIFDJAFLZCUPV-UHFFFAOYSA-N 1 3 345.491 2.017 10 30 EEEEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001437214488 1089294522 /nfs/dbraw/zinc/29/45/22/1089294522.db2.gz LMWCPMYKFUEAML-RHSMWYFYSA-N 1 3 348.516 2.477 10 30 EEEEHO C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438677292 1091171212 /nfs/dbraw/zinc/17/12/12/1091171212.db2.gz NRXAKLYETJLUST-CQSZACIVSA-N 1 3 348.516 2.431 10 30 EEEEHO C[C@H](CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC001441657041 1095621771 /nfs/dbraw/zinc/62/17/71/1095621771.db2.gz HZYXWFZNMGAOJP-MRXNPFEDSA-N 1 3 330.476 2.036 10 30 EEEEHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccc(C#N)c(F)c1 ZINC001441858978 1095958246 /nfs/dbraw/zinc/95/82/46/1095958246.db2.gz JSWODMZVJCHGLY-WMLDXEAASA-N 1 3 346.450 2.166 10 30 EEEEHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccc(C#N)c(F)c1 ZINC001441858978 1095958249 /nfs/dbraw/zinc/95/82/49/1095958249.db2.gz JSWODMZVJCHGLY-WMLDXEAASA-N 1 3 346.450 2.166 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)Cc2ccc(C)cc2)CC1 ZINC001498455735 1107562831 /nfs/dbraw/zinc/56/28/31/1107562831.db2.gz JRVKEOKUFNDFKA-GOSISDBHSA-N 1 3 341.499 2.277 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccc(C)cc2)CC1 ZINC001498455735 1107562835 /nfs/dbraw/zinc/56/28/35/1107562835.db2.gz JRVKEOKUFNDFKA-GOSISDBHSA-N 1 3 341.499 2.277 10 30 EEEEHO CN(C(=O)CC[NH+](C)C)C1CC(NCC#Cc2cccc(Cl)c2)C1 ZINC001508136556 1115425481 /nfs/dbraw/zinc/42/54/81/1115425481.db2.gz YHCRTHLOIHWPMN-UHFFFAOYSA-N 1 3 347.890 2.222 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001569152542 1125131747 /nfs/dbraw/zinc/13/17/47/1125131747.db2.gz CTMINIAMJYNZDD-QGZVFWFLSA-N 1 3 345.531 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001569152542 1125131752 /nfs/dbraw/zinc/13/17/52/1125131752.db2.gz CTMINIAMJYNZDD-QGZVFWFLSA-N 1 3 345.531 2.348 10 30 EEEEHO CCC[NH+]1CCC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471970860 467984431 /nfs/dbraw/zinc/98/44/31/467984431.db2.gz ZWZBDLKWJRSWDV-LJQANCHMSA-N 1 3 338.455 2.479 10 30 EEEEHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715776 468631251 /nfs/dbraw/zinc/63/12/51/468631251.db2.gz ILHCJBGXIWKZPK-KZNAEPCWSA-N 1 3 337.508 2.015 10 30 EEEEHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715776 468631257 /nfs/dbraw/zinc/63/12/57/468631257.db2.gz ILHCJBGXIWKZPK-KZNAEPCWSA-N 1 3 337.508 2.015 10 30 EEEEHO C[NH+](C)CCC[C@@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000598540316 468906485 /nfs/dbraw/zinc/90/64/85/468906485.db2.gz NXFQNFVNMLZYAZ-RBUKOAKNSA-N 1 3 343.471 2.328 10 30 EEEEHO C#CCC[NH+]1CCC(NC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000740738393 578106491 /nfs/dbraw/zinc/10/64/91/578106491.db2.gz CIMVYINMMNXPPE-UHFFFAOYSA-N 1 3 339.483 2.500 10 30 EEEEHO CN(C)C1(C(=O)NC[C@H]([NH2+]CC#Cc2ccccc2)C2CC2)CCC1 ZINC001266412029 1176501378 /nfs/dbraw/zinc/50/13/78/1176501378.db2.gz KWFFRQMIEFMWPE-IBGZPJMESA-N 1 3 339.483 2.007 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CCCc2ccsc2)CC1 ZINC001267232619 1178558183 /nfs/dbraw/zinc/55/81/83/1178558183.db2.gz KTYGWJXFTXHLAV-UHFFFAOYSA-N 1 3 347.528 2.074 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CCCc2ccsc2)CC1 ZINC001267232619 1178558186 /nfs/dbraw/zinc/55/81/86/1178558186.db2.gz KTYGWJXFTXHLAV-UHFFFAOYSA-N 1 3 347.528 2.074 10 30 EEEEHO C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001267491545 1179165186 /nfs/dbraw/zinc/16/51/86/1179165186.db2.gz JLDJCDBJJINCIO-HNAYVOBHSA-N 1 3 337.483 2.049 10 30 EEEEHO C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267565145 1179371824 /nfs/dbraw/zinc/37/18/24/1179371824.db2.gz JOJFFSXVUJTGHN-MAUKXSAKSA-N 1 3 325.472 2.213 10 30 EEEEHO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267565145 1179371833 /nfs/dbraw/zinc/37/18/33/1179371833.db2.gz JOJFFSXVUJTGHN-MAUKXSAKSA-N 1 3 325.472 2.213 10 30 EEEEHO CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001267858373 1180642591 /nfs/dbraw/zinc/64/25/91/1180642591.db2.gz QZTLBIYJPUAZHX-RTBURBONSA-N 1 3 337.483 2.097 10 30 EEEEHO CC(C)[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCC#Cc1ccccc1 ZINC001268224667 1182036330 /nfs/dbraw/zinc/03/63/30/1182036330.db2.gz VJMYYFCGZBYVRE-UXHICEINSA-N 1 3 343.515 2.355 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001268427672 1182600027 /nfs/dbraw/zinc/60/00/27/1182600027.db2.gz YPIRYMXUXLCNME-KRWDZBQOSA-N 1 3 345.531 2.396 10 30 EEEEHO C=C(C)CC[NH+]1CC(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001268878685 1183786987 /nfs/dbraw/zinc/78/69/87/1183786987.db2.gz BOQZXHLOOTXOFK-GOSISDBHSA-N 1 3 325.472 2.213 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001691508404 1185365418 /nfs/dbraw/zinc/36/54/18/1185365418.db2.gz NCWIXRSISFVISF-RTBURBONSA-N 1 3 340.471 2.123 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001691508404 1185365427 /nfs/dbraw/zinc/36/54/27/1185365427.db2.gz NCWIXRSISFVISF-RTBURBONSA-N 1 3 340.471 2.123 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCC3CCCC3)CC2)CC1 ZINC001670903514 1193494219 /nfs/dbraw/zinc/49/42/19/1193494219.db2.gz MLKMBPNNKFSOKF-UHFFFAOYSA-N 1 3 331.504 2.150 10 30 EEEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272669972 1191007438 /nfs/dbraw/zinc/00/74/38/1191007438.db2.gz LBSNZSNHIHFLBT-LJQANCHMSA-N 1 3 327.472 2.262 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001484519819 1191394055 /nfs/dbraw/zinc/39/40/55/1191394055.db2.gz BFZPBIRVWOKMQW-HOTGVXAUSA-N 1 3 327.900 2.440 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484519819 1191394057 /nfs/dbraw/zinc/39/40/57/1191394057.db2.gz BFZPBIRVWOKMQW-HOTGVXAUSA-N 1 3 327.900 2.440 10 30 EEEEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001485159458 1191674020 /nfs/dbraw/zinc/67/40/20/1191674020.db2.gz XLKYOWQUTDIOJM-HZPDHXFCSA-N 1 3 345.462 2.144 10 30 EEEEHO C=C(Cl)CNCC(C)(C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001485251775 1191704173 /nfs/dbraw/zinc/70/41/73/1191704173.db2.gz MTEFSJWAHVWQFJ-OAHLLOKOSA-N 1 3 327.900 2.155 10 30 EEEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001486412400 1193921676 /nfs/dbraw/zinc/92/16/76/1193921676.db2.gz WFLHMIIRGXYHHT-HNAYVOBHSA-N 1 3 339.499 2.343 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000876741265 1199750747 /nfs/dbraw/zinc/75/07/47/1199750747.db2.gz PIWIFTDXGQMMQD-HZPDHXFCSA-N 1 3 327.900 2.427 10 30 EEEEHO C(#CC[N@@H+]1CC[C@H]2CSC[C@H]2C1)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565848 1201145250 /nfs/dbraw/zinc/14/52/50/1201145250.db2.gz QWIDZIWXPZWQPP-FZDBZEDMSA-N 1 3 336.570 2.360 10 30 EEEEHO C(#CC[N@H+]1CC[C@H]2CSC[C@H]2C1)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565848 1201145251 /nfs/dbraw/zinc/14/52/51/1201145251.db2.gz QWIDZIWXPZWQPP-FZDBZEDMSA-N 1 3 336.570 2.360 10 30 EEEEHO C(#CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)CN1CC[C@H]2CSC[C@H]2C1 ZINC000879565848 1201145253 /nfs/dbraw/zinc/14/52/53/1201145253.db2.gz QWIDZIWXPZWQPP-FZDBZEDMSA-N 1 3 336.570 2.360 10 30 EEEEHO C(#CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1)CN1CC[C@H]2CSC[C@H]2C1 ZINC000879565848 1201145254 /nfs/dbraw/zinc/14/52/54/1201145254.db2.gz QWIDZIWXPZWQPP-FZDBZEDMSA-N 1 3 336.570 2.360 10 30 EEEEHO Cc1c(C[C@H](CN)C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)cnn1C ZINC000903987437 1242884817 /nfs/dbraw/zinc/88/48/17/1242884817.db2.gz GHELWNOABLJOBS-GOSISDBHSA-N 1 3 339.487 2.329 10 30 EEEEHO C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001276799115 1297875252 /nfs/dbraw/zinc/87/52/52/1297875252.db2.gz HMWJDZGVWOFOHK-IAGOWNOFSA-N 1 3 339.524 2.136 10 30 EEEEHO C#CCN(C(=O)CN(C)CC(C)(C)C)C1CC[NH+](CC(=C)C)CC1 ZINC001278184196 1306209651 /nfs/dbraw/zinc/20/96/51/1306209651.db2.gz IWSHHGRJBZYWJI-UHFFFAOYSA-N 1 3 333.520 2.467 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCCC(C)C)CC1 ZINC001264381212 1322684931 /nfs/dbraw/zinc/68/49/31/1322684931.db2.gz ZDXVEOVEXINCBI-LJQANCHMSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC(C)C)CC1 ZINC001264381212 1322684934 /nfs/dbraw/zinc/68/49/34/1322684934.db2.gz ZDXVEOVEXINCBI-LJQANCHMSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265526363 1323205327 /nfs/dbraw/zinc/20/53/27/1323205327.db2.gz YVMCAWQTLRLRIK-RTBURBONSA-N 1 3 331.504 2.199 10 30 EEEEHO C#CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001266138291 1323708046 /nfs/dbraw/zinc/70/80/46/1323708046.db2.gz BLESXTHHQSJAKW-QGZVFWFLSA-N 1 3 331.504 2.245 10 30 EEEEHO C#CCN(CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001266138291 1323708051 /nfs/dbraw/zinc/70/80/51/1323708051.db2.gz BLESXTHHQSJAKW-QGZVFWFLSA-N 1 3 331.504 2.245 10 30 EEEEHO C#CCN(CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001266138290 1323708504 /nfs/dbraw/zinc/70/85/04/1323708504.db2.gz BLESXTHHQSJAKW-KRWDZBQOSA-N 1 3 331.504 2.245 10 30 EEEEHO C#CCN(CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001266138290 1323708509 /nfs/dbraw/zinc/70/85/09/1323708509.db2.gz BLESXTHHQSJAKW-KRWDZBQOSA-N 1 3 331.504 2.245 10 30 EEEEHO C#CC[NH2+][C@@H](CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001282567152 1325742126 /nfs/dbraw/zinc/74/21/26/1325742126.db2.gz GYBNHISTUUTLOE-LPHOPBHVSA-N 1 3 339.499 2.295 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001317811907 1332417343 /nfs/dbraw/zinc/41/73/43/1332417343.db2.gz SEGGNMRYPZYOSW-MSOLQXFVSA-N 1 3 333.520 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001317811907 1332417345 /nfs/dbraw/zinc/41/73/45/1332417345.db2.gz SEGGNMRYPZYOSW-MSOLQXFVSA-N 1 3 333.520 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001318300967 1332505568 /nfs/dbraw/zinc/50/55/68/1332505568.db2.gz IIWSABICPLADLH-RURPWVQCSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001318300967 1332505571 /nfs/dbraw/zinc/50/55/71/1332505571.db2.gz IIWSABICPLADLH-RURPWVQCSA-N 1 3 331.504 2.269 10 30 EEEEHO CC[C@H](C(=O)N[C@@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1)N(C)C ZINC001318727324 1332583990 /nfs/dbraw/zinc/58/39/90/1332583990.db2.gz DMUHDQDVNQJKHS-CTNGQTDRSA-N 1 3 341.499 2.253 10 30 EEEEHO C[NH+](C)CCC(=O)NCC1(NCC#Cc2ccc(F)cc2)CCCC1 ZINC001319374731 1332692149 /nfs/dbraw/zinc/69/21/49/1332692149.db2.gz MEVLSLRHBKWGMG-UHFFFAOYSA-N 1 3 345.462 2.148 10 30 EEEEHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCC#Cc1ccccc1 ZINC001319859842 1332785991 /nfs/dbraw/zinc/78/59/91/1332785991.db2.gz CBQNASRFIKSKNB-ICSRJNTNSA-N 1 3 341.499 2.207 10 30 EEEEHO CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320902816 1332975678 /nfs/dbraw/zinc/97/56/78/1332975678.db2.gz ZHQYXGCLCSMIJI-SFHVURJKSA-N 1 3 348.466 2.222 10 30 EEEEHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001326411024 1334087477 /nfs/dbraw/zinc/08/74/77/1334087477.db2.gz GLLYUHOSSHKXLI-YOEHRIQHSA-N 1 3 348.516 2.288 10 30 EEEEHO C[C@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)CCCC[NH+](C)C ZINC001332044907 1335712716 /nfs/dbraw/zinc/71/27/16/1335712716.db2.gz CUJSLJZIPMHCHL-GJZGRUSLSA-N 1 3 348.516 2.431 10 30 EEEEHO CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001569859622 1342959947 /nfs/dbraw/zinc/95/99/47/1342959947.db2.gz BUJGWYMQVDBHCE-BCDXTJNWSA-N 1 3 331.504 2.243 10 30 EEEEHO CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001569859622 1342959949 /nfs/dbraw/zinc/95/99/49/1342959949.db2.gz BUJGWYMQVDBHCE-BCDXTJNWSA-N 1 3 331.504 2.243 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001569988977 1342989765 /nfs/dbraw/zinc/98/97/65/1342989765.db2.gz WQMWJISUORHFBU-HNNXBMFYSA-N 1 3 325.884 2.196 10 30 EEEEHO C#CCC[NH2+]C[C@@]1(NC(=O)C2CCN(CC#C)CC2)CCCC[C@H]1C ZINC001666069748 1355440006 /nfs/dbraw/zinc/44/00/06/1355440006.db2.gz WHNUUXFOHJHLLG-NQIIRXRSSA-N 1 3 343.515 2.010 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001669630505 1356186429 /nfs/dbraw/zinc/18/64/29/1356186429.db2.gz PHVGJODLNDJMHA-INIZCTEOSA-N 1 3 345.462 2.146 10 30 EEEEHO C=C(Br)C[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001672896018 1356608830 /nfs/dbraw/zinc/60/88/30/1356608830.db2.gz AFWYQRZEJKPFNO-KBPBESRZSA-N 1 3 346.313 2.063 10 30 EEEEHO C#CCC[N@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001673079540 1356644498 /nfs/dbraw/zinc/64/44/98/1356644498.db2.gz FGYMHSNUBFOKQG-IBGZPJMESA-N 1 3 327.472 2.024 10 30 EEEEHO C#CCC[N@@H+]1CCc2c(CNC(=O)[C@H](CC)N(C)C)cccc2C1 ZINC001673079540 1356644500 /nfs/dbraw/zinc/64/45/00/1356644500.db2.gz FGYMHSNUBFOKQG-IBGZPJMESA-N 1 3 327.472 2.024 10 30 EEEEHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001675252789 1356951666 /nfs/dbraw/zinc/95/16/66/1356951666.db2.gz DXWHMQQJURMGAN-DLBZAZTESA-N 1 3 325.472 2.050 10 30 EEEEHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001675252789 1356951669 /nfs/dbraw/zinc/95/16/69/1356951669.db2.gz DXWHMQQJURMGAN-DLBZAZTESA-N 1 3 325.472 2.050 10 30 EEEEHO C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)C1(N(C)C)CCC1 ZINC001699105386 1405259405 /nfs/dbraw/zinc/25/94/05/1405259405.db2.gz GHHKNRSNVKOSMG-OAHLLOKOSA-N 1 3 328.460 2.027 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001699106927 1405262264 /nfs/dbraw/zinc/26/22/64/1405262264.db2.gz HQZVHBAXTRWORI-APWZRJJASA-N 1 3 342.487 2.417 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001699106927 1405262269 /nfs/dbraw/zinc/26/22/69/1405262269.db2.gz HQZVHBAXTRWORI-APWZRJJASA-N 1 3 342.487 2.417 10 30 EEEEHO C#CCN(C(=O)CCC[NH+]1CCCCC1)C1CCN(CC=C)CC1 ZINC001699787462 1405484933 /nfs/dbraw/zinc/48/49/33/1405484933.db2.gz YEDZDHXGWHZSOQ-UHFFFAOYSA-N 1 3 331.504 2.365 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001479496132 1098565563 /nfs/dbraw/zinc/56/55/63/1098565563.db2.gz YJZBNMBJGLURMD-LSDHHAIUSA-N 1 3 348.516 2.334 10 30 EEEEHO C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001495509416 1101222466 /nfs/dbraw/zinc/22/24/66/1101222466.db2.gz PLXXMBSIZFWYKS-IBGZPJMESA-N 1 3 327.472 2.290 10 30 EEEEHO C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001499480254 1112310646 /nfs/dbraw/zinc/31/06/46/1112310646.db2.gz FRSKCWFOKMMHCS-MSOLQXFVSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001499480254 1112310650 /nfs/dbraw/zinc/31/06/50/1112310650.db2.gz FRSKCWFOKMMHCS-MSOLQXFVSA-N 1 3 333.520 2.301 10 30 EEEEHO CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001501181238 1113231110 /nfs/dbraw/zinc/23/11/10/1113231110.db2.gz FYOZLVBPJWTDGA-FHWLQOOXSA-N 1 3 333.520 2.396 10 30 EEEEHO C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)CN(C)C1CCC1 ZINC001501663334 1113421979 /nfs/dbraw/zinc/42/19/79/1113421979.db2.gz SGBBXUZZUFIGLW-UHFFFAOYSA-N 1 3 327.472 2.242 10 30 EEEEHO C#CCC[N@H+](C)Cc1ccccc1CNC(=O)CN(C)C1CCC1 ZINC001501663334 1113421981 /nfs/dbraw/zinc/42/19/81/1113421981.db2.gz SGBBXUZZUFIGLW-UHFFFAOYSA-N 1 3 327.472 2.242 10 30 EEEEHO C[NH+](C)CCC(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001568004826 1124226078 /nfs/dbraw/zinc/22/60/78/1124226078.db2.gz NKQNGNHSCAVSFD-UHFFFAOYSA-N 1 3 327.472 2.008 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568279101 1124401412 /nfs/dbraw/zinc/40/14/12/1124401412.db2.gz IWGIIWASYBKMDE-ICSRJNTNSA-N 1 3 341.499 2.349 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568279101 1124401418 /nfs/dbraw/zinc/40/14/18/1124401418.db2.gz IWGIIWASYBKMDE-ICSRJNTNSA-N 1 3 341.499 2.349 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCC=C)CC1 ZINC001569176204 1125146851 /nfs/dbraw/zinc/14/68/51/1125146851.db2.gz ZHVDEVWQNALRJL-RTBURBONSA-N 1 3 331.504 2.172 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000171901360 463945374 /nfs/dbraw/zinc/94/53/74/463945374.db2.gz SWIVOBUZYNCXGX-QZTJIDSGSA-N 1 3 334.508 2.175 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000171901360 463945378 /nfs/dbraw/zinc/94/53/78/463945378.db2.gz SWIVOBUZYNCXGX-QZTJIDSGSA-N 1 3 334.508 2.175 10 30 EEEEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(C#N)CCCC1 ZINC000593427886 468974423 /nfs/dbraw/zinc/97/44/23/468974423.db2.gz VJNPXYVUVUEJDY-KRWDZBQOSA-N 1 3 349.523 2.128 10 30 EEEEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCC1(C#N)CCCC1 ZINC000593427886 468974429 /nfs/dbraw/zinc/97/44/29/468974429.db2.gz VJNPXYVUVUEJDY-KRWDZBQOSA-N 1 3 349.523 2.128 10 30 EEEEHO C=CCN1CCC(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000171721157 526437386 /nfs/dbraw/zinc/43/73/86/526437386.db2.gz VRWOMNXYNNCGGL-IBGZPJMESA-N 1 3 344.503 2.109 10 30 EEEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001272701142 1191960233 /nfs/dbraw/zinc/96/02/33/1191960233.db2.gz UBCJVYDTEFFJLP-MRXNPFEDSA-N 1 3 327.472 2.319 10 30 EEEEHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001266725309 1177309775 /nfs/dbraw/zinc/30/97/75/1177309775.db2.gz CJNHLMCIRJDEAD-CALCHBBNSA-N 1 3 346.450 2.166 10 30 EEEEHO C#CCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001268138899 1181798601 /nfs/dbraw/zinc/79/86/01/1181798601.db2.gz AQAHQBNWYUBPPE-APWZRJJASA-N 1 3 327.472 2.212 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001268703930 1183625364 /nfs/dbraw/zinc/62/53/64/1183625364.db2.gz UKNYLIRAWKQNLP-MAUKXSAKSA-N 1 3 349.906 2.372 10 30 EEEEHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270568002 1185178375 /nfs/dbraw/zinc/17/83/75/1185178375.db2.gz KFWDFRVJLUHZOU-INIZCTEOSA-N 1 3 349.906 2.375 10 30 EEEEHO C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483161191 1188976541 /nfs/dbraw/zinc/97/65/41/1188976541.db2.gz YAZKYCPDUKSZQQ-YCPHGPKFSA-N 1 3 346.450 2.022 10 30 EEEEHO C[C@H](CNCc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483161191 1188976543 /nfs/dbraw/zinc/97/65/43/1188976543.db2.gz YAZKYCPDUKSZQQ-YCPHGPKFSA-N 1 3 346.450 2.022 10 30 EEEEHO CC#CCNC[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001485836514 1193596284 /nfs/dbraw/zinc/59/62/84/1193596284.db2.gz CIKHJBBFRKPKGN-RTBURBONSA-N 1 3 333.520 2.347 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001485946483 1193654853 /nfs/dbraw/zinc/65/48/53/1193654853.db2.gz FABMSXZRNOGNJO-QGZVFWFLSA-N 1 3 347.478 2.346 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001485946483 1193654854 /nfs/dbraw/zinc/65/48/54/1193654854.db2.gz FABMSXZRNOGNJO-QGZVFWFLSA-N 1 3 347.478 2.346 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001484522278 1191396987 /nfs/dbraw/zinc/39/69/87/1191396987.db2.gz GFGXADBRKRVCSZ-HOTGVXAUSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001484522278 1191396989 /nfs/dbraw/zinc/39/69/89/1191396989.db2.gz GFGXADBRKRVCSZ-HOTGVXAUSA-N 1 3 327.900 2.442 10 30 EEEEHO C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001485042972 1191623622 /nfs/dbraw/zinc/62/36/22/1191623622.db2.gz HEXLVRPPEHPQPF-YFVAEKQCSA-N 1 3 339.483 2.256 10 30 EEEEHO C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001485042972 1191623624 /nfs/dbraw/zinc/62/36/24/1191623624.db2.gz HEXLVRPPEHPQPF-YFVAEKQCSA-N 1 3 339.483 2.256 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](CNCc2cc(F)ccc2C#N)C1 ZINC001486211060 1193751291 /nfs/dbraw/zinc/75/12/91/1193751291.db2.gz SJVGEUPWMSHJOH-KBXCAEBGSA-N 1 3 346.450 2.024 10 30 EEEEHO C=CCC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C(F)(F)F ZINC001486452729 1193974307 /nfs/dbraw/zinc/97/43/07/1193974307.db2.gz NNZCLJSZRLHCPO-KGLIPLIRSA-N 1 3 347.425 2.416 10 30 EEEEHO CC#CC[N@@H+](CC)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001281839906 1325482303 /nfs/dbraw/zinc/48/23/03/1325482303.db2.gz HPJWJSXKCMIYKB-UHFFFAOYSA-N 1 3 333.520 2.302 10 30 EEEEHO CC#CC[N@H+](CC)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001281839906 1325482309 /nfs/dbraw/zinc/48/23/09/1325482309.db2.gz HPJWJSXKCMIYKB-UHFFFAOYSA-N 1 3 333.520 2.302 10 30 EEEEHO CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001316660357 1329897215 /nfs/dbraw/zinc/89/72/15/1329897215.db2.gz MYHIWIWPWRJENF-FRQCXROJSA-N 1 3 337.483 2.097 10 30 EEEEHO CCCN(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001325453966 1333889275 /nfs/dbraw/zinc/88/92/75/1333889275.db2.gz COHCAYHCEPQPRG-ICSRJNTNSA-N 1 3 341.499 2.207 10 30 EEEEHO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001325630524 1333928025 /nfs/dbraw/zinc/92/80/25/1333928025.db2.gz UFEOLCQUEOHREL-OKYOBFRVSA-N 1 3 331.504 2.243 10 30 EEEEHO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)N1CCCCCC1)C2 ZINC001325630524 1333928028 /nfs/dbraw/zinc/92/80/28/1333928028.db2.gz UFEOLCQUEOHREL-OKYOBFRVSA-N 1 3 331.504 2.243 10 30 EEEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CCO1 ZINC001327035045 1334208193 /nfs/dbraw/zinc/20/81/93/1334208193.db2.gz NBYJCJQQHBMSNJ-ROUUACIJSA-N 1 3 337.508 2.033 10 30 EEEEHO C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001330916769 1334926427 /nfs/dbraw/zinc/92/64/27/1334926427.db2.gz OHPDSXBNOWROJW-CRAIPNDOSA-N 1 3 325.472 2.097 10 30 EEEEHO CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001332138581 1335739705 /nfs/dbraw/zinc/73/97/05/1335739705.db2.gz ATQNUMDOFLKIMI-CEXWTWQISA-N 1 3 345.531 2.491 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001567021512 1342680905 /nfs/dbraw/zinc/68/09/05/1342680905.db2.gz MDDYUZSDKHWIOX-HKUYNNGSSA-N 1 3 327.472 2.007 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001567021512 1342680911 /nfs/dbraw/zinc/68/09/11/1342680911.db2.gz MDDYUZSDKHWIOX-HKUYNNGSSA-N 1 3 327.472 2.007 10 30 EEEEHO C[C@H](CCCNCc1ccc(C#N)cc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001676018863 1357090519 /nfs/dbraw/zinc/09/05/19/1357090519.db2.gz VASZGCRGNKFFLU-PBHICJAKSA-N 1 3 346.450 2.024 10 30 EEEEHO C[C@H](CCCNCc1ccc(C#N)cc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001676018863 1357090523 /nfs/dbraw/zinc/09/05/23/1357090523.db2.gz VASZGCRGNKFFLU-PBHICJAKSA-N 1 3 346.450 2.024 10 30 EEEEHO CC#CCN1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001676821122 1357213597 /nfs/dbraw/zinc/21/35/97/1357213597.db2.gz RFFGSYJKMOTMIX-AZUAARDMSA-N 1 3 331.504 2.389 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCCC)C2)CC1 ZINC001676974656 1357253233 /nfs/dbraw/zinc/25/32/33/1357253233.db2.gz LLBDUBQEWCTUEI-IEBWSBKVSA-N 1 3 333.520 2.396 10 30 EEEEHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C(F)(F)F ZINC001677049269 1357270344 /nfs/dbraw/zinc/27/03/44/1357270344.db2.gz XMXWJQDSWXWHRK-KGLIPLIRSA-N 1 3 347.425 2.273 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C)CC1 ZINC001666672353 1355562797 /nfs/dbraw/zinc/56/27/97/1355562797.db2.gz FAARZIIEGQDWLK-KRWDZBQOSA-N 1 3 335.536 2.500 10 30 EEEEHO C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001671972722 1356447174 /nfs/dbraw/zinc/44/71/74/1356447174.db2.gz WKOBTAJVEIRGTO-HNNXBMFYSA-N 1 3 331.451 2.366 10 30 EEEEHO C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001671972722 1356447177 /nfs/dbraw/zinc/44/71/77/1356447177.db2.gz WKOBTAJVEIRGTO-HNNXBMFYSA-N 1 3 331.451 2.366 10 30 EEEEHO C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001438423207 1090918696 /nfs/dbraw/zinc/91/86/96/1090918696.db2.gz XVZSMMKLZJNZKP-GRDNDAEWSA-N 1 3 327.900 2.344 10 30 EEEEHO C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001438423207 1090918700 /nfs/dbraw/zinc/91/87/00/1090918700.db2.gz XVZSMMKLZJNZKP-GRDNDAEWSA-N 1 3 327.900 2.344 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001441877980 1095999302 /nfs/dbraw/zinc/99/93/02/1095999302.db2.gz RONWNSHMKUYVCN-AZUAARDMSA-N 1 3 340.471 2.123 10 30 EEEEHO C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)NCc1ccccc1C#N ZINC001442283695 1096595832 /nfs/dbraw/zinc/59/58/32/1096595832.db2.gz CPLOCEHVQQTKQS-MRXNPFEDSA-N 1 3 342.487 2.417 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001498197206 1107063594 /nfs/dbraw/zinc/06/35/94/1107063594.db2.gz GNDXJWCUFXKXRE-DLBZAZTESA-N 1 3 327.472 2.187 10 30 EEEEHO C=CCOc1ccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415123834 467496129 /nfs/dbraw/zinc/49/61/29/467496129.db2.gz JTFNTMUGPKWCAZ-QGZVFWFLSA-N 1 3 327.432 2.139 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000594439409 468587416 /nfs/dbraw/zinc/58/74/16/468587416.db2.gz VNXFTUUIDFRZKQ-QGZVFWFLSA-N 1 3 348.516 2.488 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594439148 468588304 /nfs/dbraw/zinc/58/83/04/468588304.db2.gz SUPOOBAHHYEGCI-OALUTQOASA-N 1 3 342.487 2.078 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000594439148 468588305 /nfs/dbraw/zinc/58/83/05/468588305.db2.gz SUPOOBAHHYEGCI-OALUTQOASA-N 1 3 342.487 2.078 10 30 EEEEHO CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001272700467 1191863433 /nfs/dbraw/zinc/86/34/33/1191863433.db2.gz JQBZQPUSQRTKKZ-SJORKVTESA-N 1 3 327.472 2.319 10 30 EEEEHO CC#CCN(CCC)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691181098 1177678975 /nfs/dbraw/zinc/67/89/75/1177678975.db2.gz PLOQGSDMBGQCEX-GOSISDBHSA-N 1 3 333.520 2.493 10 30 EEEEHO CC#CCN(CCC)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001691181098 1177678977 /nfs/dbraw/zinc/67/89/77/1177678977.db2.gz PLOQGSDMBGQCEX-GOSISDBHSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[NH2+]Cc2cc(C)sc2C)CC1 ZINC001267116411 1178279532 /nfs/dbraw/zinc/27/95/32/1178279532.db2.gz AOKVWHGYJQDKQX-UHFFFAOYSA-N 1 3 347.528 2.258 10 30 EEEEHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)N(C)C ZINC001268403135 1182503717 /nfs/dbraw/zinc/50/37/17/1182503717.db2.gz IUPXKSYEXIDRGC-DYVFJYSZSA-N 1 3 334.439 2.022 10 30 EEEEHO O=C(C[NH+]1CCCC1)NCC1(NCC#Cc2ccccc2Cl)CC1 ZINC001269535309 1184361376 /nfs/dbraw/zinc/36/13/76/1184361376.db2.gz HCDHARCFBMLGRC-UHFFFAOYSA-N 1 3 345.874 2.026 10 30 EEEEHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001272763854 1193485613 /nfs/dbraw/zinc/48/56/13/1193485613.db2.gz XAFIUNGCVRLWRH-BXWFABGCSA-N 1 3 337.483 2.097 10 30 EEEEHO C=CC[N@@H+](CCOC)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001483820824 1191049927 /nfs/dbraw/zinc/04/99/27/1191049927.db2.gz BTMSCQOWFQQRQA-UHFFFAOYSA-N 1 3 339.524 2.090 10 30 EEEEHO C=CC[N@H+](CCOC)C1CCN(C(=O)CN(C)CC(C)(C)C)CC1 ZINC001483820824 1191049928 /nfs/dbraw/zinc/04/99/28/1191049928.db2.gz BTMSCQOWFQQRQA-UHFFFAOYSA-N 1 3 339.524 2.090 10 30 EEEEHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485156288 1191668386 /nfs/dbraw/zinc/66/83/86/1191668386.db2.gz GITVHTGCXKKYQF-KBPBESRZSA-N 1 3 346.450 2.164 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353899 1199912060 /nfs/dbraw/zinc/91/20/60/1199912060.db2.gz WDHGABGYPMSJQP-YQVWRLOYSA-N 1 3 347.890 2.437 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353899 1199912063 /nfs/dbraw/zinc/91/20/63/1199912063.db2.gz WDHGABGYPMSJQP-YQVWRLOYSA-N 1 3 347.890 2.437 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000826674933 1204770194 /nfs/dbraw/zinc/77/01/94/1204770194.db2.gz XRKPQOZMQVSXRA-IBGZPJMESA-N 1 3 331.504 2.245 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000826674933 1204770198 /nfs/dbraw/zinc/77/01/98/1204770198.db2.gz XRKPQOZMQVSXRA-IBGZPJMESA-N 1 3 331.504 2.245 10 30 EEEEHO C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001491263110 1258861286 /nfs/dbraw/zinc/86/12/86/1258861286.db2.gz DKQVOSRSLQDFPO-VQIMIIECSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001278157196 1306133116 /nfs/dbraw/zinc/13/31/16/1306133116.db2.gz CYCOZFNBRHEPEY-UHFFFAOYSA-N 1 3 331.504 2.197 10 30 EEEEHO C[C@@H]1[C@@H](NCC#Cc2ccc(F)cc2)CCN1C(=O)CCC[NH+](C)C ZINC001278294030 1309084150 /nfs/dbraw/zinc/08/41/50/1309084150.db2.gz QQGVVBIVJXSQDU-APWZRJJASA-N 1 3 345.462 2.098 10 30 EEEEHO C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001265396279 1323127442 /nfs/dbraw/zinc/12/74/42/1323127442.db2.gz AEGLTLJRHDTAFW-RTBURBONSA-N 1 3 333.520 2.443 10 30 EEEEHO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001265396279 1323127445 /nfs/dbraw/zinc/12/74/45/1323127445.db2.gz AEGLTLJRHDTAFW-RTBURBONSA-N 1 3 333.520 2.443 10 30 EEEEHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001265553962 1323217717 /nfs/dbraw/zinc/21/77/17/1323217717.db2.gz IYMJAAWHKQUANE-HDICACEKSA-N 1 3 347.890 2.270 10 30 EEEEHO C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001281881015 1325498111 /nfs/dbraw/zinc/49/81/11/1325498111.db2.gz DKQVOSRSLQDFPO-LPHOPBHVSA-N 1 3 337.483 2.193 10 30 EEEEHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001316670329 1330412929 /nfs/dbraw/zinc/41/29/29/1330412929.db2.gz VVCOMGUUFAAFDO-GOSISDBHSA-N 1 3 333.520 2.445 10 30 EEEEHO CC#CCN1CCC2(C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001316670329 1330412933 /nfs/dbraw/zinc/41/29/33/1330412933.db2.gz VVCOMGUUFAAFDO-GOSISDBHSA-N 1 3 333.520 2.445 10 30 EEEEHO C#CC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CCCCCC)CC2 ZINC001319145566 1332656963 /nfs/dbraw/zinc/65/69/63/1332656963.db2.gz UGDNZUGIIQIUGP-UHFFFAOYSA-N 1 3 333.520 2.446 10 30 EEEEHO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CCCCCC)CC2 ZINC001319145566 1332656966 /nfs/dbraw/zinc/65/69/66/1332656966.db2.gz UGDNZUGIIQIUGP-UHFFFAOYSA-N 1 3 333.520 2.446 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001322089425 1333207051 /nfs/dbraw/zinc/20/70/51/1333207051.db2.gz SEHJQSTXYUBDNG-JKSUJKDBSA-N 1 3 345.462 2.326 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2(C)CC[NH+](CC(=C)C)CC2)CC1 ZINC001324903555 1333783487 /nfs/dbraw/zinc/78/34/87/1333783487.db2.gz AJOOYHJNGCVDMZ-UHFFFAOYSA-N 1 3 331.504 2.126 10 30 EEEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001332458541 1335828519 /nfs/dbraw/zinc/82/85/19/1335828519.db2.gz HWSAISIGOAPRMZ-ZFWWWQNUSA-N 1 3 347.425 2.273 10 30 EEEEHO C=CCOCCN1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001677612794 1357372488 /nfs/dbraw/zinc/37/24/88/1357372488.db2.gz PYOVKSBOGVZIHI-SFHVURJKSA-N 1 3 349.519 2.202 10 30 EEEEHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001661474047 1354643687 /nfs/dbraw/zinc/64/36/87/1354643687.db2.gz UYHZBIFUHWQNKM-IIDMSEBBSA-N 1 3 325.472 2.402 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]C/C=C/c2ccccc2)CC1 ZINC001669750700 1356203549 /nfs/dbraw/zinc/20/35/49/1356203549.db2.gz OCEQCZZIKAWAAI-HKMNZKMDSA-N 1 3 339.483 2.139 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001699983766 1405627470 /nfs/dbraw/zinc/62/74/70/1405627470.db2.gz DKBXMPPOYRIWEF-HXUWFJFHSA-N 1 3 341.499 2.358 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001699983766 1405627480 /nfs/dbraw/zinc/62/74/80/1405627480.db2.gz DKBXMPPOYRIWEF-HXUWFJFHSA-N 1 3 341.499 2.358 10 30 EEEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940748144 779207392 /nfs/dbraw/zinc/20/73/92/779207392.db2.gz VFIBGBRMCSWRLL-QGZVFWFLSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940748144 779207398 /nfs/dbraw/zinc/20/73/98/779207398.db2.gz VFIBGBRMCSWRLL-QGZVFWFLSA-N 1 3 333.520 2.491 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 ZINC000907332647 784530552 /nfs/dbraw/zinc/53/05/52/784530552.db2.gz YEKVJBUAABHJOV-UHFFFAOYSA-N 1 3 345.487 2.262 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001480596208 1100445161 /nfs/dbraw/zinc/44/51/61/1100445161.db2.gz JHUOCQKGBAFINU-OXJNMPFZSA-N 1 3 339.483 2.113 10 30 EEEEHO CC[C@@H](CNC(=O)CCC[NH+]1CCCC1)NCC#Cc1ccccc1 ZINC001495139301 1100809474 /nfs/dbraw/zinc/80/94/74/1100809474.db2.gz NEWKQUJOSOZUTL-FQEVSTJZSA-N 1 3 341.499 2.399 10 30 EEEEHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001496603451 1101203727 /nfs/dbraw/zinc/20/37/27/1101203727.db2.gz ROVQIEJUELNTTR-QFBILLFUSA-N 1 3 342.487 2.130 10 30 EEEEHO CCCCCCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001495861154 1101686650 /nfs/dbraw/zinc/68/66/50/1101686650.db2.gz UBAWBMPWOLETFT-ROUUACIJSA-N 1 3 339.524 2.258 10 30 EEEEHO CCCCCCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001495861154 1101686655 /nfs/dbraw/zinc/68/66/55/1101686655.db2.gz UBAWBMPWOLETFT-ROUUACIJSA-N 1 3 339.524 2.258 10 30 EEEEHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC#Cc1ccccc1 ZINC001495047534 1104685504 /nfs/dbraw/zinc/68/55/04/1104685504.db2.gz VPPNRZHMRPOXOP-YSIASYRMSA-N 1 3 341.499 2.253 10 30 EEEEHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC#Cc1ccccc1 ZINC001495047534 1104685507 /nfs/dbraw/zinc/68/55/07/1104685507.db2.gz VPPNRZHMRPOXOP-YSIASYRMSA-N 1 3 341.499 2.253 10 30 EEEEHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CCO1 ZINC001502079857 1113579858 /nfs/dbraw/zinc/57/98/58/1113579858.db2.gz YJWLRTADYAUYTO-QZTJIDSGSA-N 1 3 337.508 2.034 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001507352118 1115215423 /nfs/dbraw/zinc/21/54/23/1115215423.db2.gz WRQWJJOPIQNQLN-AZUAARDMSA-N 1 3 340.471 2.123 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001568545446 1124604538 /nfs/dbraw/zinc/60/45/38/1124604538.db2.gz QEXAHMUZWSJKKR-RBUKOAKNSA-N 1 3 331.504 2.006 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)CC1 ZINC000246199075 464557730 /nfs/dbraw/zinc/55/77/30/464557730.db2.gz MWVJKBCSQYGNOA-MSOLQXFVSA-N 1 3 334.508 2.295 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)CC1 ZINC000246199075 464557732 /nfs/dbraw/zinc/55/77/32/464557732.db2.gz MWVJKBCSQYGNOA-MSOLQXFVSA-N 1 3 334.508 2.295 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC2CC(C)(C)C2)C2CC2)CC1 ZINC001481200648 1180088098 /nfs/dbraw/zinc/08/80/98/1180088098.db2.gz QWGOPPKNUCNAKU-UHFFFAOYSA-N 1 3 345.531 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC2CC(C)(C)C2)C2CC2)CC1 ZINC001481200648 1180088104 /nfs/dbraw/zinc/08/81/04/1180088104.db2.gz QWGOPPKNUCNAKU-UHFFFAOYSA-N 1 3 345.531 2.348 10 30 EEEEHO C#CC[NH2+]CCC1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001267914951 1180755871 /nfs/dbraw/zinc/75/58/71/1180755871.db2.gz SJESEVSNWRHSQD-IBGZPJMESA-N 1 3 337.483 2.050 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001482173163 1183500044 /nfs/dbraw/zinc/50/00/44/1183500044.db2.gz GXIXHLMNJSZFAJ-MRXNPFEDSA-N 1 3 349.906 2.374 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001268673487 1183600251 /nfs/dbraw/zinc/60/02/51/1183600251.db2.gz GNDXJWCUFXKXRE-IAGOWNOFSA-N 1 3 327.472 2.187 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001268695323 1183617301 /nfs/dbraw/zinc/61/73/01/1183617301.db2.gz ZQQSOQHDEIIGES-ICSRJNTNSA-N 1 3 341.499 2.253 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001268695323 1183617303 /nfs/dbraw/zinc/61/73/03/1183617303.db2.gz ZQQSOQHDEIIGES-ICSRJNTNSA-N 1 3 341.499 2.253 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCCC)C2CCCC2)CC1 ZINC001270457785 1185108600 /nfs/dbraw/zinc/10/86/00/1185108600.db2.gz GVXUAYKAXLIOHK-IBGZPJMESA-N 1 3 333.520 2.396 10 30 EEEEHO CC#CCN1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001484581274 1191426074 /nfs/dbraw/zinc/42/60/74/1191426074.db2.gz DCXGXEOWISCANQ-UHFFFAOYSA-N 1 3 331.504 2.200 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001485229755 1191698980 /nfs/dbraw/zinc/69/89/80/1191698980.db2.gz LHFIPXHSGDPCQS-GJZGRUSLSA-N 1 3 333.501 2.076 10 30 EEEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000876709044 1199732961 /nfs/dbraw/zinc/73/29/61/1199732961.db2.gz HSXYSEOYOZLWJJ-QWHCGFSZSA-N 1 3 327.881 2.471 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000876861749 1199797974 /nfs/dbraw/zinc/79/79/74/1199797974.db2.gz GACRVOMIWNXWRF-NUEKZKHPSA-N 1 3 339.842 2.105 10 30 EEEEHO CN(C)CCC[N@H+](C)CCNc1cc(C(F)(F)F)cnc1C#N ZINC000853798266 1292457018 /nfs/dbraw/zinc/45/70/18/1292457018.db2.gz LWGLRUMLSZVSRD-UHFFFAOYSA-N 1 3 329.370 2.267 10 30 EEEEHO CN(C)CCC[N@@H+](C)CCNc1cc(C(F)(F)F)cnc1C#N ZINC000853798266 1292457024 /nfs/dbraw/zinc/45/70/24/1292457024.db2.gz LWGLRUMLSZVSRD-UHFFFAOYSA-N 1 3 329.370 2.267 10 30 EEEEHO C=CCN1CCC(NC(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)CC1 ZINC001121955323 1310184617 /nfs/dbraw/zinc/18/46/17/1310184617.db2.gz MAOQNONDHDLRIY-BGYRXZFFSA-N 1 3 346.519 2.154 10 30 EEEEHO C=CCN1CCC(NC(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)CC1 ZINC001121955323 1310184619 /nfs/dbraw/zinc/18/46/19/1310184619.db2.gz MAOQNONDHDLRIY-BGYRXZFFSA-N 1 3 346.519 2.154 10 30 EEEEHO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265303789 1323055357 /nfs/dbraw/zinc/05/53/57/1323055357.db2.gz PCNXOPWKQDXPHP-MAUKXSAKSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265303789 1323055369 /nfs/dbraw/zinc/05/53/69/1323055369.db2.gz PCNXOPWKQDXPHP-MAUKXSAKSA-N 1 3 325.472 2.356 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001491682535 1330204419 /nfs/dbraw/zinc/20/44/19/1330204419.db2.gz MRVGVQSEFXEAQR-XJKSGUPXSA-N 1 3 334.489 2.088 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001317128555 1332089333 /nfs/dbraw/zinc/08/93/33/1332089333.db2.gz QSYYFJGJAVZNRC-KDURUIRLSA-N 1 3 331.504 2.149 10 30 EEEEHO C[N@H+](CC(=O)N1CC[C@H](NCC#Cc2ccccc2)C1)CC(C)(C)C ZINC001317305927 1332172389 /nfs/dbraw/zinc/17/23/89/1332172389.db2.gz QHALABHUVWTKBM-IBGZPJMESA-N 1 3 341.499 2.207 10 30 EEEEHO C[N@@H+](CC(=O)N1CC[C@H](NCC#Cc2ccccc2)C1)CC(C)(C)C ZINC001317305927 1332172391 /nfs/dbraw/zinc/17/23/91/1332172391.db2.gz QHALABHUVWTKBM-IBGZPJMESA-N 1 3 341.499 2.207 10 30 EEEEHO CCCN(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001325453967 1333889081 /nfs/dbraw/zinc/88/90/81/1333889081.db2.gz COHCAYHCEPQPRG-QUCCMNQESA-N 1 3 341.499 2.207 10 30 EEEEHO C=CCCC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001327082929 1334218706 /nfs/dbraw/zinc/21/87/06/1334218706.db2.gz YDYZYAPKCMSPBV-IBGZPJMESA-N 1 3 345.487 2.145 10 30 EEEEHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001328686107 1334499197 /nfs/dbraw/zinc/49/91/97/1334499197.db2.gz AQJMOKHYZYZWBS-YVWKXTFCSA-N 1 3 327.472 2.419 10 30 EEEEHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001328686107 1334499200 /nfs/dbraw/zinc/49/92/00/1334499200.db2.gz AQJMOKHYZYZWBS-YVWKXTFCSA-N 1 3 327.472 2.419 10 30 EEEEHO C=CCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCOCC1 ZINC001569727894 1342934655 /nfs/dbraw/zinc/93/46/55/1342934655.db2.gz OATXXYJHGCRHCB-UHFFFAOYSA-N 1 3 337.508 2.082 10 30 EEEEHO C=CCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001571073258 1343161313 /nfs/dbraw/zinc/16/13/13/1343161313.db2.gz RQXFQKBQKCODIY-QGZVFWFLSA-N 1 3 349.519 2.034 10 30 EEEEHO C=CCOCCN1CC=C(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001677621441 1357375263 /nfs/dbraw/zinc/37/52/63/1357375263.db2.gz QNCZFDAQEOUUIP-MOPGFXCFSA-N 1 3 349.519 2.058 10 30 EEEEHO C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC001672929501 1356617596 /nfs/dbraw/zinc/61/75/96/1356617596.db2.gz KSRKWDSDWRFZBN-QGZVFWFLSA-N 1 3 327.472 2.100 10 30 EEEEHO C#CCC[N@H+](C)Cc1ccccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC001672929501 1356617599 /nfs/dbraw/zinc/61/75/99/1356617599.db2.gz KSRKWDSDWRFZBN-QGZVFWFLSA-N 1 3 327.472 2.100 10 30 EEEEHO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCCCCC)C[C@@H]2C1 ZINC001675643605 1357027475 /nfs/dbraw/zinc/02/74/75/1357027475.db2.gz UMOLHYOAKYLTIH-OTWHNJEPSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)CCCCCC)C[C@@H]2C1 ZINC001675643605 1357027479 /nfs/dbraw/zinc/02/74/79/1357027479.db2.gz UMOLHYOAKYLTIH-OTWHNJEPSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001698862427 1405117970 /nfs/dbraw/zinc/11/79/70/1405117970.db2.gz YKLQSMSQOULFOF-MRXNPFEDSA-N 1 3 345.462 2.107 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC(C)C)C2)CC1 ZINC001479915174 1099320820 /nfs/dbraw/zinc/32/08/20/1099320820.db2.gz LGAAXENEZILIFG-IBGZPJMESA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC(C)C)C2)CC1 ZINC001479915174 1099320835 /nfs/dbraw/zinc/32/08/35/1099320835.db2.gz LGAAXENEZILIFG-IBGZPJMESA-N 1 3 333.520 2.348 10 30 EEEEHO C[C@H](NCc1ccccc1C#N)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444826781 1099771305 /nfs/dbraw/zinc/77/13/05/1099771305.db2.gz YTNNMQNOURMDQE-LPHOPBHVSA-N 1 3 342.487 2.227 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001480596207 1100444664 /nfs/dbraw/zinc/44/46/64/1100444664.db2.gz JHUOCQKGBAFINU-JXFKEZNVSA-N 1 3 339.483 2.113 10 30 EEEEHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]CC#Cc1ccccc1 ZINC001480769757 1107079722 /nfs/dbraw/zinc/07/97/22/1107079722.db2.gz BYMILYOWUNMHMZ-KRWDZBQOSA-N 1 3 327.472 2.007 10 30 EEEEHO CC#CCN1CCC([C@H](C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001508090127 1115417288 /nfs/dbraw/zinc/41/72/88/1115417288.db2.gz KKWVXSAQYICPOK-SFHVURJKSA-N 1 3 333.520 2.493 10 30 EEEEHO COc1ccc(C#N)cc1CN1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000095995351 463133826 /nfs/dbraw/zinc/13/38/26/463133826.db2.gz BTFMZSIMTCSWCA-IBGZPJMESA-N 1 3 342.487 2.169 10 30 EEEEHO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000095995351 463133831 /nfs/dbraw/zinc/13/38/31/463133831.db2.gz BTFMZSIMTCSWCA-IBGZPJMESA-N 1 3 342.487 2.169 10 30 EEEEHO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000095995351 463133835 /nfs/dbraw/zinc/13/38/35/463133835.db2.gz BTFMZSIMTCSWCA-IBGZPJMESA-N 1 3 342.487 2.169 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000171739633 463916878 /nfs/dbraw/zinc/91/68/78/463916878.db2.gz JFLSUOGPNWBQRX-UHFFFAOYSA-N 1 3 334.508 2.154 10 30 EEEEHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000601967126 469117329 /nfs/dbraw/zinc/11/73/29/469117329.db2.gz IAFBTTSRVVQPOV-BHIYHBOVSA-N 1 3 327.472 2.399 10 30 EEEEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)CC1(C#N)CC1 ZINC000601967126 469117335 /nfs/dbraw/zinc/11/73/35/469117335.db2.gz IAFBTTSRVVQPOV-BHIYHBOVSA-N 1 3 327.472 2.399 10 30 EEEEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)CC1(C#N)CC1 ZINC000601967126 469117339 /nfs/dbraw/zinc/11/73/39/469117339.db2.gz IAFBTTSRVVQPOV-BHIYHBOVSA-N 1 3 327.472 2.399 10 30 EEEEHO C[NH+]=C(NCC1(N(C)C)CCCCC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262479998 686313636 /nfs/dbraw/zinc/31/36/36/686313636.db2.gz RFFLVAYGHHLBDG-INIZCTEOSA-N 1 3 346.523 2.049 10 30 EEEEHO C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001485650439 1191870340 /nfs/dbraw/zinc/87/03/40/1191870340.db2.gz MDYQXGWYUUORNW-LPHOPBHVSA-N 1 3 345.487 2.143 10 30 EEEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CC[NH+](CC2CC2)CC1 ZINC001671508490 1176866631 /nfs/dbraw/zinc/86/66/31/1176866631.db2.gz ZYBJNTPQJQSEBC-CALCHBBNSA-N 1 3 331.504 2.195 10 30 EEEEHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2Cl)C1 ZINC001266614898 1176992397 /nfs/dbraw/zinc/99/23/97/1176992397.db2.gz UMXQKENNJCEPKM-QAQDUYKDSA-N 1 3 347.890 2.270 10 30 EEEEHO CC(C)[C@H](C(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C)[NH+](C)C ZINC001268224669 1182036046 /nfs/dbraw/zinc/03/60/46/1182036046.db2.gz VJMYYFCGZBYVRE-WOJBJXKFSA-N 1 3 343.515 2.355 10 30 EEEEHO C=CCOCC[NH2+]C1CCC(N(C)C(=O)C2(N(C)C)CCC2)CC1 ZINC001282260708 1182249300 /nfs/dbraw/zinc/24/93/00/1182249300.db2.gz LCRDTKROXKORQH-UHFFFAOYSA-N 1 3 337.508 2.033 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccc(C#N)s1 ZINC001268549594 1183232286 /nfs/dbraw/zinc/23/22/86/1183232286.db2.gz QSBFCKHUDSQNLP-LIMHQNJXSA-N 1 3 346.500 2.256 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccc(C#N)s1 ZINC001268549594 1183232288 /nfs/dbraw/zinc/23/22/88/1183232288.db2.gz QSBFCKHUDSQNLP-LIMHQNJXSA-N 1 3 346.500 2.256 10 30 EEEEHO C[NH+](C)CCCC(=O)N[C@H](CNCC#Cc1ccc(F)cc1)C1CC1 ZINC001269109061 1183971624 /nfs/dbraw/zinc/97/16/24/1183971624.db2.gz CMXMVWQUGUWZPL-LJQANCHMSA-N 1 3 345.462 2.003 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001483299124 1190321762 /nfs/dbraw/zinc/32/17/62/1190321762.db2.gz UARLCXOGSOMBFG-YOEHRIQHSA-N 1 3 348.516 2.334 10 30 EEEEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001483959371 1191128235 /nfs/dbraw/zinc/12/82/35/1191128235.db2.gz RSZYYPATXDALQJ-KRWDZBQOSA-N 1 3 346.450 2.118 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCC(C)C)CC1 ZINC001483987466 1191143595 /nfs/dbraw/zinc/14/35/95/1191143595.db2.gz QSVGFDLFONJVIJ-SFHVURJKSA-N 1 3 333.520 2.301 10 30 EEEEHO C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CCO1 ZINC001273321860 1198126959 /nfs/dbraw/zinc/12/69/59/1198126959.db2.gz ACYNWJADHIYGCI-MSOLQXFVSA-N 1 3 337.508 2.034 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000876876320 1199802448 /nfs/dbraw/zinc/80/24/48/1199802448.db2.gz NRNBITHCPGFSHQ-QGZVFWFLSA-N 1 3 337.895 2.479 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000826674935 1204770382 /nfs/dbraw/zinc/77/03/82/1204770382.db2.gz XRKPQOZMQVSXRA-LJQANCHMSA-N 1 3 331.504 2.245 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000826674935 1204770385 /nfs/dbraw/zinc/77/03/85/1204770385.db2.gz XRKPQOZMQVSXRA-LJQANCHMSA-N 1 3 331.504 2.245 10 30 EEEEHO CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)CN(C)CC(C)(C)C ZINC001273609742 1281120770 /nfs/dbraw/zinc/12/07/70/1281120770.db2.gz DPSZFVYMPFJEPB-UHFFFAOYSA-N 1 3 344.503 2.474 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001320642809 1332927338 /nfs/dbraw/zinc/92/73/38/1332927338.db2.gz BCMVPMQJKQYYLG-APWZRJJASA-N 1 3 342.487 2.417 10 30 EEEEHO CN(CCC[NH2+]CC#Cc1ccc(F)cc1)C(=O)CN(C)C1CCC1 ZINC001322544355 1333280188 /nfs/dbraw/zinc/28/01/88/1333280188.db2.gz WKFZKHSIXNLART-UHFFFAOYSA-N 1 3 345.462 2.100 10 30 EEEEHO CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CCC(C)CC1 ZINC001323671036 1333513091 /nfs/dbraw/zinc/51/30/91/1333513091.db2.gz YGMHGFOFILFROR-YQQQUEKLSA-N 1 3 331.504 2.243 10 30 EEEEHO C=CCC[C@H](C)[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001328485813 1334466480 /nfs/dbraw/zinc/46/64/80/1334466480.db2.gz NPEAUNAAHOLXNK-ROUUACIJSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCC[C@H](C)[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001328485813 1334466484 /nfs/dbraw/zinc/46/64/84/1334466484.db2.gz NPEAUNAAHOLXNK-ROUUACIJSA-N 1 3 349.519 2.129 10 30 EEEEHO C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001330916771 1334926545 /nfs/dbraw/zinc/92/65/45/1334926545.db2.gz OHPDSXBNOWROJW-QAPCUYQASA-N 1 3 325.472 2.097 10 30 EEEEHO C=CCN1CCc2c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cccc2C1 ZINC001570079172 1343010092 /nfs/dbraw/zinc/01/00/92/1343010092.db2.gz NWVFJOTUXKHICG-LJQANCHMSA-N 1 3 329.488 2.433 10 30 EEEEHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](F)CN(CC)CC)C[C@@]2(C)C1 ZINC001571060524 1343157556 /nfs/dbraw/zinc/15/75/56/1343157556.db2.gz YJVKYQKQBZLFMQ-YTQUADARSA-N 1 3 339.499 2.413 10 30 EEEEHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](F)CN(CC)CC)C[C@@]2(C)C1 ZINC001571060524 1343157564 /nfs/dbraw/zinc/15/75/64/1343157564.db2.gz YJVKYQKQBZLFMQ-YTQUADARSA-N 1 3 339.499 2.413 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H](Cc2ccccc2)[NH2+]CC)CC1 ZINC001571529201 1343230164 /nfs/dbraw/zinc/23/01/64/1343230164.db2.gz YVNFZVBPEHMDPG-HXUWFJFHSA-N 1 3 341.499 2.059 10 30 EEEEHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC#Cc1ccc(Cl)cc1 ZINC001676480449 1357155504 /nfs/dbraw/zinc/15/55/04/1357155504.db2.gz BNPVHVIWPZCEQE-NVXWUHKLSA-N 1 3 347.890 2.080 10 30 EEEEHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC#Cc1ccc(Cl)cc1 ZINC001676480449 1357155507 /nfs/dbraw/zinc/15/55/07/1357155507.db2.gz BNPVHVIWPZCEQE-NVXWUHKLSA-N 1 3 347.890 2.080 10 30 EEEEHO C[NH+](C)CCCC(=O)NC1(CNCC#Cc2ccccc2)CCCC1 ZINC001665944858 1355414140 /nfs/dbraw/zinc/41/41/40/1355414140.db2.gz YKKYFGBOWMJEHP-UHFFFAOYSA-N 1 3 341.499 2.399 10 30 EEEEHO C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001671908125 1356436531 /nfs/dbraw/zinc/43/65/31/1356436531.db2.gz PDLLMJOBHIAHQE-QUCCMNQESA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)N2CCCCCC2)C1 ZINC001671908125 1356436533 /nfs/dbraw/zinc/43/65/33/1356436533.db2.gz PDLLMJOBHIAHQE-QUCCMNQESA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC2CCCC2)CC1 ZINC001675048895 1356929289 /nfs/dbraw/zinc/92/92/89/1356929289.db2.gz HIXBLTUCLOVFND-QGZVFWFLSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCC2CCCC2)CC1 ZINC001675048895 1356929294 /nfs/dbraw/zinc/92/92/94/1356929294.db2.gz HIXBLTUCLOVFND-QGZVFWFLSA-N 1 3 333.520 2.348 10 30 EEEEHO C=C(C)CN1CC([C@H](C)NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001675343066 1356967878 /nfs/dbraw/zinc/96/78/78/1356967878.db2.gz JDFZGKIIGLRZMW-KSSFIOAISA-N 1 3 325.472 2.212 10 30 EEEEHO C=C(C)CN1CC([C@H](C)NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001675343066 1356967881 /nfs/dbraw/zinc/96/78/81/1356967881.db2.gz JDFZGKIIGLRZMW-KSSFIOAISA-N 1 3 325.472 2.212 10 30 EEEEHO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)cc(C)c1C#N ZINC000912302644 788096597 /nfs/dbraw/zinc/09/65/97/788096597.db2.gz FMTSCBDGBSEXIB-INIZCTEOSA-N 1 3 330.476 2.177 10 30 EEEEHO Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc(C)c1C#N ZINC000912302644 788096604 /nfs/dbraw/zinc/09/66/04/788096604.db2.gz FMTSCBDGBSEXIB-INIZCTEOSA-N 1 3 330.476 2.177 10 30 EEEEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001449080318 1094093867 /nfs/dbraw/zinc/09/38/67/1094093867.db2.gz CIBBTWYBNUUPDK-SFHVURJKSA-N 1 3 342.487 2.227 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)CCC[NH+](C)C ZINC001498099033 1106917809 /nfs/dbraw/zinc/91/78/09/1106917809.db2.gz OMWLCLHPQDSUIB-HNNXBMFYSA-N 1 3 335.879 2.128 10 30 EEEEHO C#CCN(C)CCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC001468760873 1110480022 /nfs/dbraw/zinc/48/00/22/1110480022.db2.gz REQUFZXJZDPPLP-KRWDZBQOSA-N 1 3 336.524 2.141 10 30 EEEEHO C#CCN(C)CCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC001468760873 1110480024 /nfs/dbraw/zinc/48/00/24/1110480024.db2.gz REQUFZXJZDPPLP-KRWDZBQOSA-N 1 3 336.524 2.141 10 30 EEEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001479401007 1110691412 /nfs/dbraw/zinc/69/14/12/1110691412.db2.gz WSNUZFLFAGSOEE-IIDMSEBBSA-N 1 3 325.472 2.259 10 30 EEEEHO CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](F)CN(CC)CC)C2)C1 ZINC001499570771 1112375481 /nfs/dbraw/zinc/37/54/81/1112375481.db2.gz UYQVZXXLPWJECR-PKOBYXMFSA-N 1 3 337.483 2.004 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](F)CN(CC)CC)C2)C1 ZINC001499570771 1112375482 /nfs/dbraw/zinc/37/54/82/1112375482.db2.gz UYQVZXXLPWJECR-PKOBYXMFSA-N 1 3 337.483 2.004 10 30 EEEEHO CC#CC[NH2+][C@@H](CCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1 ZINC001507390442 1115247265 /nfs/dbraw/zinc/24/72/65/1115247265.db2.gz VSPLFNGUEFHBFP-IBGZPJMESA-N 1 3 341.499 2.201 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@@H](C)F)CC2)CC1 ZINC001568114488 1124309601 /nfs/dbraw/zinc/30/96/01/1124309601.db2.gz IZCLVEVDQBTPFU-KBAYOESNSA-N 1 3 337.483 2.097 10 30 EEEEHO Cc1cc(C#N)ccc1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000164040254 463613507 /nfs/dbraw/zinc/61/35/07/463613507.db2.gz OVHQQENPZXXZGA-UHFFFAOYSA-N 1 3 340.471 2.155 10 30 EEEEHO C[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594444097 468590632 /nfs/dbraw/zinc/59/06/32/468590632.db2.gz XPJHWPXCNZVXSM-WDSOQIARSA-N 1 3 342.487 2.424 10 30 EEEEHO C[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594444097 468590637 /nfs/dbraw/zinc/59/06/37/468590637.db2.gz XPJHWPXCNZVXSM-WDSOQIARSA-N 1 3 342.487 2.424 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000600999778 468713405 /nfs/dbraw/zinc/71/34/05/468713405.db2.gz GNWDVFUAQQPQNE-RBUKOAKNSA-N 1 3 342.487 2.179 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000600999778 468713409 /nfs/dbraw/zinc/71/34/09/468713409.db2.gz GNWDVFUAQQPQNE-RBUKOAKNSA-N 1 3 342.487 2.179 10 30 EEEEHO CN(C[C@H](O)CC1(C#N)CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302800 469201166 /nfs/dbraw/zinc/20/11/66/469201166.db2.gz KIIUADKVJSFZRZ-RBUKOAKNSA-N 1 3 327.472 2.495 10 30 EEEEHO CN(C[C@H](O)CC1(C#N)CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302800 469201170 /nfs/dbraw/zinc/20/11/70/469201170.db2.gz KIIUADKVJSFZRZ-RBUKOAKNSA-N 1 3 327.472 2.495 10 30 EEEEHO Cc1cccc2c1ncc(C#N)c2NCC[N@@H+](C)CCCN(C)C ZINC000596424692 469262336 /nfs/dbraw/zinc/26/23/36/469262336.db2.gz KNFRHMQNZNSCID-UHFFFAOYSA-N 1 3 325.460 2.132 10 30 EEEEHO Cc1cccc2c1ncc(C#N)c2NCC[N@H+](C)CCCN(C)C ZINC000596424692 469262341 /nfs/dbraw/zinc/26/23/41/469262341.db2.gz KNFRHMQNZNSCID-UHFFFAOYSA-N 1 3 325.460 2.132 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCCF)C2)CC1 ZINC001266252155 1176029521 /nfs/dbraw/zinc/02/95/21/1176029521.db2.gz NYLUMVUTNBYALA-SFHVURJKSA-N 1 3 337.483 2.052 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCCF)C2)CC1 ZINC001266252155 1176029528 /nfs/dbraw/zinc/02/95/28/1176029528.db2.gz NYLUMVUTNBYALA-SFHVURJKSA-N 1 3 337.483 2.052 10 30 EEEEHO C=C(C)CN[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001267361943 1178834195 /nfs/dbraw/zinc/83/41/95/1178834195.db2.gz LYULVAQXNGJEOY-RTBURBONSA-N 1 3 327.472 2.351 10 30 EEEEHO C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)cc1 ZINC001267937292 1180789420 /nfs/dbraw/zinc/78/94/20/1180789420.db2.gz YGSJUMDCNRCVHG-IBGZPJMESA-N 1 3 327.472 2.289 10 30 EEEEHO C[C@@H](CNCC#Cc1cccc(Cl)c1)NC(=O)CCC[NH+](C)C ZINC001268702008 1183626642 /nfs/dbraw/zinc/62/66/42/1183626642.db2.gz PEDDQEZGCLDMPV-HNNXBMFYSA-N 1 3 335.879 2.128 10 30 EEEEHO CC[C@H](C(=O)NC1(C[NH2+]CC#Cc2ccccc2)CCCC1)N(C)C ZINC001269588802 1184414203 /nfs/dbraw/zinc/41/42/03/1184414203.db2.gz VVDCHYPEAPTXNR-LJQANCHMSA-N 1 3 341.499 2.397 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[NH2+]Cc2ccc(CC)cc2)CC1 ZINC001691623371 1188323746 /nfs/dbraw/zinc/32/37/46/1188323746.db2.gz UNGXZEYUEKBUKM-UHFFFAOYSA-N 1 3 341.499 2.142 10 30 EEEEHO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001484123520 1191222853 /nfs/dbraw/zinc/22/28/53/1191222853.db2.gz AYHKZUOAHZWETL-FQEVSTJZSA-N 1 3 327.472 2.213 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000876764593 1199763670 /nfs/dbraw/zinc/76/36/70/1199763670.db2.gz NATJXKHSPBGWOF-AWEZNQCLSA-N 1 3 345.940 2.324 10 30 EEEEHO C#CCN(C(=O)c1cccc(CN2CCCC2)c1)C1CC[NH+](C)CC1 ZINC000886583132 1202527268 /nfs/dbraw/zinc/52/72/68/1202527268.db2.gz CCNWUKDMZVOXHI-UHFFFAOYSA-N 1 3 339.483 2.452 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001265235976 1323003055 /nfs/dbraw/zinc/00/30/55/1323003055.db2.gz ZTTDTZWTDQHVPY-HKUYNNGSSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001265235976 1323003060 /nfs/dbraw/zinc/00/30/60/1323003060.db2.gz ZTTDTZWTDQHVPY-HKUYNNGSSA-N 1 3 331.504 2.267 10 30 EEEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265930629 1323495356 /nfs/dbraw/zinc/49/53/56/1323495356.db2.gz FWKCHLDCPFTOOH-YJBOKZPZSA-N 1 3 325.472 2.356 10 30 EEEEHO CC#CCN1CC([C@H](C)NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001282739188 1325776868 /nfs/dbraw/zinc/77/68/68/1325776868.db2.gz SMVFIOIVJCJGLS-QFBILLFUSA-N 1 3 327.472 2.139 10 30 EEEEHO CC#CCN1CC([C@H](C)NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001282739188 1325776870 /nfs/dbraw/zinc/77/68/70/1325776870.db2.gz SMVFIOIVJCJGLS-QFBILLFUSA-N 1 3 327.472 2.139 10 30 EEEEHO CC#CCN1CCC[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317139557 1332095713 /nfs/dbraw/zinc/09/57/13/1332095713.db2.gz JXVOSNZSPUCFSD-QFBILLFUSA-N 1 3 337.483 2.050 10 30 EEEEHO CC#CCN1CCC[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317139557 1332095716 /nfs/dbraw/zinc/09/57/16/1332095716.db2.gz JXVOSNZSPUCFSD-QFBILLFUSA-N 1 3 337.483 2.050 10 30 EEEEHO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCC#Cc1ccccc1 ZINC001318569648 1332562331 /nfs/dbraw/zinc/56/23/31/1332562331.db2.gz IKDAENSSHYQQKT-RBUKOAKNSA-N 1 3 329.488 2.109 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001325703049 1333943734 /nfs/dbraw/zinc/94/37/34/1333943734.db2.gz VRBZXSFYTQWTOW-WOJBJXKFSA-N 1 3 339.483 2.255 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001325703049 1333943737 /nfs/dbraw/zinc/94/37/37/1333943737.db2.gz VRBZXSFYTQWTOW-WOJBJXKFSA-N 1 3 339.483 2.255 10 30 EEEEHO C#CCN[C@H](C)c1ccc(CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001326490026 1334103354 /nfs/dbraw/zinc/10/33/54/1334103354.db2.gz MCRGUMQJPZSKHO-QGZVFWFLSA-N 1 3 327.472 2.463 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]C[C@@H](F)CC)C(C)(C)C)CC1 ZINC001332898600 1335926960 /nfs/dbraw/zinc/92/69/60/1335926960.db2.gz KJAHHULMQGRSRO-DLBZAZTESA-N 1 3 339.499 2.200 10 30 EEEEHO C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CN1CC[C@H](C)C1 ZINC001668214029 1355901030 /nfs/dbraw/zinc/90/10/30/1355901030.db2.gz HOKMSDPXIZKMHY-IRXDYDNUSA-N 1 3 345.462 2.003 10 30 EEEEHO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CCCN(C)C1)C(C)C ZINC001675964492 1357078259 /nfs/dbraw/zinc/07/82/59/1357078259.db2.gz QBUMPRNEMIFAOU-ZWKOTPCHSA-N 1 3 336.524 2.421 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C)cc2C)CC1 ZINC001662426486 1354796024 /nfs/dbraw/zinc/79/60/24/1354796024.db2.gz YBMUSSGUGCBMJR-GOSISDBHSA-N 1 3 341.499 2.243 10 30 EEEEHO C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001668092236 1355868159 /nfs/dbraw/zinc/86/81/59/1355868159.db2.gz LWVGFWYOINMTLE-KRWDZBQOSA-N 1 3 327.472 2.007 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2ccccc2)CC1 ZINC001668320445 1355923568 /nfs/dbraw/zinc/92/35/68/1355923568.db2.gz RFKVPPKFVWWQMA-QGZVFWFLSA-N 1 3 327.472 2.016 10 30 EEEEHO CCN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CCCCN1C ZINC001668468453 1355946506 /nfs/dbraw/zinc/94/65/06/1355946506.db2.gz ANQBCTRZRMDFTD-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO CC[C@H](C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001669395367 1356155049 /nfs/dbraw/zinc/15/50/49/1356155049.db2.gz AJGVXCADTDVSEE-VQIMIIECSA-N 1 3 347.478 2.392 10 30 EEEEHO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001675252790 1356951712 /nfs/dbraw/zinc/95/17/12/1356951712.db2.gz DXWHMQQJURMGAN-IAGOWNOFSA-N 1 3 325.472 2.050 10 30 EEEEHO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)CN(CC)CC ZINC001675252790 1356951715 /nfs/dbraw/zinc/95/17/15/1356951715.db2.gz DXWHMQQJURMGAN-IAGOWNOFSA-N 1 3 325.472 2.050 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001699106928 1405262002 /nfs/dbraw/zinc/26/20/02/1405262002.db2.gz HQZVHBAXTRWORI-LPHOPBHVSA-N 1 3 342.487 2.417 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001699106928 1405262008 /nfs/dbraw/zinc/26/20/08/1405262008.db2.gz HQZVHBAXTRWORI-LPHOPBHVSA-N 1 3 342.487 2.417 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001699106930 1405262461 /nfs/dbraw/zinc/26/24/61/1405262461.db2.gz HQZVHBAXTRWORI-VQIMIIECSA-N 1 3 342.487 2.417 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001699106930 1405262465 /nfs/dbraw/zinc/26/24/65/1405262465.db2.gz HQZVHBAXTRWORI-VQIMIIECSA-N 1 3 342.487 2.417 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CNCc2cccc(C#N)c2)CC[N@@H+]1C ZINC001699258787 1405300019 /nfs/dbraw/zinc/30/00/19/1405300019.db2.gz FJIJWHNMTAXETO-WWAPKCSDSA-N 1 3 340.471 2.051 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CNCc2cccc(C#N)c2)CC[N@H+]1C ZINC001699258787 1405300023 /nfs/dbraw/zinc/30/00/23/1405300023.db2.gz FJIJWHNMTAXETO-WWAPKCSDSA-N 1 3 340.471 2.051 10 30 EEEEHO C#CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001699688624 1405441769 /nfs/dbraw/zinc/44/17/69/1405441769.db2.gz GXENVRNCIWONJQ-UHFFFAOYSA-N 1 3 331.504 2.055 10 30 EEEEHO C#CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001699688624 1405441771 /nfs/dbraw/zinc/44/17/71/1405441771.db2.gz GXENVRNCIWONJQ-UHFFFAOYSA-N 1 3 331.504 2.055 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442206108 1096491994 /nfs/dbraw/zinc/49/19/94/1096491994.db2.gz PFGORKNPOPOLNK-OALUTQOASA-N 1 3 342.487 2.415 10 30 EEEEHO C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001479979826 1099433289 /nfs/dbraw/zinc/43/32/89/1099433289.db2.gz AXZBYIWMGNTYMR-ROUUACIJSA-N 1 3 349.519 2.034 10 30 EEEEHO C[C@H](CNCC#Cc1cccc(Cl)c1)N(C)C(=O)CCC[NH+](C)C ZINC001496145290 1102133333 /nfs/dbraw/zinc/13/33/33/1102133333.db2.gz PDPMCIAMIOLOGG-MRXNPFEDSA-N 1 3 349.906 2.470 10 30 EEEEHO CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001480663459 1106840820 /nfs/dbraw/zinc/84/08/20/1106840820.db2.gz HPKVZXBRMNRQGW-VQTJNVASSA-N 1 3 341.499 2.062 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001493569560 1108333298 /nfs/dbraw/zinc/33/32/98/1108333298.db2.gz KTEFIPSDSULIAE-GOSISDBHSA-N 1 3 346.450 2.120 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001493569560 1108333314 /nfs/dbraw/zinc/33/33/14/1108333314.db2.gz KTEFIPSDSULIAE-GOSISDBHSA-N 1 3 346.450 2.120 10 30 EEEEHO C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001499480255 1112311408 /nfs/dbraw/zinc/31/14/08/1112311408.db2.gz FRSKCWFOKMMHCS-QZTJIDSGSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001499480255 1112311413 /nfs/dbraw/zinc/31/14/13/1112311413.db2.gz FRSKCWFOKMMHCS-QZTJIDSGSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC#C)C2CCCCCC2)CC1 ZINC001499523137 1112339994 /nfs/dbraw/zinc/33/99/94/1112339994.db2.gz KOCFOWGBHWRLNE-UHFFFAOYSA-N 1 3 343.515 2.106 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC#C)C2CCCCCC2)CC1 ZINC001499523137 1112339997 /nfs/dbraw/zinc/33/99/97/1112339997.db2.gz KOCFOWGBHWRLNE-UHFFFAOYSA-N 1 3 343.515 2.106 10 30 EEEEHO C=CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001506486207 1114643535 /nfs/dbraw/zinc/64/35/35/1114643535.db2.gz BJNLOZNEZVYWBR-SFHVURJKSA-N 1 3 337.508 2.034 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001507427836 1115263287 /nfs/dbraw/zinc/26/32/87/1115263287.db2.gz LSTYDAMPYNFUIS-GJZGRUSLSA-N 1 3 348.516 2.334 10 30 EEEEHO C[C@@H](NC(=O)CC[NH+](C)C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001508065386 1115408837 /nfs/dbraw/zinc/40/88/37/1115408837.db2.gz XTMBALHTXZECBZ-MRXNPFEDSA-N 1 3 342.487 2.227 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2=CC[N@H+]([C@@H](C)CCC=C)CC2)CC1 ZINC001508229455 1115455003 /nfs/dbraw/zinc/45/50/03/1115455003.db2.gz KZRDHCCGADKBMA-SFHVURJKSA-N 1 3 343.515 2.435 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2=CC[N@@H+]([C@@H](C)CCC=C)CC2)CC1 ZINC001508229455 1115455004 /nfs/dbraw/zinc/45/50/04/1115455004.db2.gz KZRDHCCGADKBMA-SFHVURJKSA-N 1 3 343.515 2.435 10 30 EEEEHO CCOC[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@@H](COCC)C2)C1 ZINC000341883209 465272442 /nfs/dbraw/zinc/27/24/42/465272442.db2.gz MWVSKJQFHBEIJQ-WOJBJXKFSA-N 1 3 336.520 2.487 10 30 EEEEHO CCOC[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@@H](COCC)C2)C1 ZINC000341883209 465272444 /nfs/dbraw/zinc/27/24/44/465272444.db2.gz MWVSKJQFHBEIJQ-WOJBJXKFSA-N 1 3 336.520 2.487 10 30 EEEEHO CC(C)C[C@H](N[C@H](C)c1cccc(C#N)c1)C(=O)NCC[NH+](C)C ZINC000347253699 466513284 /nfs/dbraw/zinc/51/32/84/466513284.db2.gz RTTKHMGMXYSBMF-QAPCUYQASA-N 1 3 330.476 2.301 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659450354 471634119 /nfs/dbraw/zinc/63/41/19/471634119.db2.gz MRSSJJNXRSQRTG-QGZVFWFLSA-N 1 3 334.508 2.058 10 30 EEEEHO CC[NH+]=C(NCCc1c(C)noc1C)N[C@@H]1CCN(C2CCCC2)C1 ZINC000097013722 528806903 /nfs/dbraw/zinc/80/69/03/528806903.db2.gz QZPVGWPHLNGPDL-MRXNPFEDSA-N 1 3 347.507 2.406 10 30 EEEEHO C=CCC[N@@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001481186713 1180030574 /nfs/dbraw/zinc/03/05/74/1180030574.db2.gz VNOWCUSLYKZMKO-GOSISDBHSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCC[N@H+](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001481186713 1180030579 /nfs/dbraw/zinc/03/05/79/1180030579.db2.gz VNOWCUSLYKZMKO-GOSISDBHSA-N 1 3 325.472 2.356 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@@H+](CCC(C)C)C2)CC1 ZINC001481462675 1181465463 /nfs/dbraw/zinc/46/54/63/1181465463.db2.gz VARFDKPOFZSZIC-GOSISDBHSA-N 1 3 333.520 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001481462675 1181465467 /nfs/dbraw/zinc/46/54/67/1181465467.db2.gz VARFDKPOFZSZIC-GOSISDBHSA-N 1 3 333.520 2.206 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001268398807 1182480601 /nfs/dbraw/zinc/48/06/01/1182480601.db2.gz PLOGLFIHPCXJAP-MAUKXSAKSA-N 1 3 330.476 2.129 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001268414339 1182569516 /nfs/dbraw/zinc/56/95/16/1182569516.db2.gz SUTPWKRCQYZUEZ-LPHOPBHVSA-N 1 3 347.478 2.248 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481988988 1183094494 /nfs/dbraw/zinc/09/44/94/1183094494.db2.gz WLELPPFYKZKDIG-CVEARBPZSA-N 1 3 327.900 2.299 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001481988988 1183094499 /nfs/dbraw/zinc/09/44/99/1183094499.db2.gz WLELPPFYKZKDIG-CVEARBPZSA-N 1 3 327.900 2.299 10 30 EEEEHO N#Cc1ccc(CNC/C=C/CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001268630757 1183553359 /nfs/dbraw/zinc/55/33/59/1183553359.db2.gz PLUZSMPVGUYPKY-NSCUHMNNSA-N 1 3 340.471 2.196 10 30 EEEEHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001482367931 1185528071 /nfs/dbraw/zinc/52/80/71/1185528071.db2.gz CINWNEQIXYJSGS-ICSRJNTNSA-N 1 3 341.499 2.349 10 30 EEEEHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001482367931 1185528076 /nfs/dbraw/zinc/52/80/76/1185528076.db2.gz CINWNEQIXYJSGS-ICSRJNTNSA-N 1 3 341.499 2.349 10 30 EEEEHO CC(C)C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482397629 1185606983 /nfs/dbraw/zinc/60/69/83/1185606983.db2.gz BVSVYYINRALYLA-PMACEKPBSA-N 1 3 341.499 2.110 10 30 EEEEHO CC(C)C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482397629 1185606985 /nfs/dbraw/zinc/60/69/85/1185606985.db2.gz BVSVYYINRALYLA-PMACEKPBSA-N 1 3 341.499 2.110 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]CC(=C)C)CC2)CC1 ZINC001271789319 1186487201 /nfs/dbraw/zinc/48/72/01/1186487201.db2.gz AFGHBDJVJCKOFX-WGSAOQKQSA-N 1 3 345.531 2.420 10 30 EEEEHO C=CCC[NH2+]C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001483587539 1190573881 /nfs/dbraw/zinc/57/38/81/1190573881.db2.gz HPEBZBCOUXEBKS-MAUKXSAKSA-N 1 3 325.472 2.259 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001485229754 1191699013 /nfs/dbraw/zinc/69/90/13/1191699013.db2.gz LHFIPXHSGDPCQS-CABCVRRESA-N 1 3 333.501 2.076 10 30 EEEEHO C=CC[NH+]1CCC2(CCN(C(=O)[C@H](F)CN(CC)CC)C2)CC1 ZINC001671055823 1194356792 /nfs/dbraw/zinc/35/67/92/1194356792.db2.gz YXJUNVNAYRHEJW-MRXNPFEDSA-N 1 3 325.472 2.167 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000876757855 1199760273 /nfs/dbraw/zinc/76/02/73/1199760273.db2.gz IBHBNSVFYAWMGW-HNNXBMFYSA-N 1 3 325.840 2.426 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000876764077 1199763868 /nfs/dbraw/zinc/76/38/68/1199763868.db2.gz NRNSUDAELRFCEQ-OAHLLOKOSA-N 1 3 325.840 2.426 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001275571646 1205422681 /nfs/dbraw/zinc/42/26/81/1205422681.db2.gz QJKQBRFAQMGQNT-IRXDYDNUSA-N 1 3 331.504 2.315 10 30 EEEEHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001490711398 1291597065 /nfs/dbraw/zinc/59/70/65/1291597065.db2.gz COCCNPAIAZWGFW-OALUTQOASA-N 1 3 345.462 2.002 10 30 EEEEHO C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001277299337 1302259731 /nfs/dbraw/zinc/25/97/31/1302259731.db2.gz QIHGMOWZKQTIFK-IAGOWNOFSA-N 1 3 342.487 2.275 10 30 EEEEHO C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]21 ZINC001284095207 1326404458 /nfs/dbraw/zinc/40/44/58/1326404458.db2.gz DQRYCSPQQMLUGW-OKZBNKHCSA-N 1 3 333.520 2.204 10 30 EEEEHO C=CCC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001284364644 1326521530 /nfs/dbraw/zinc/52/15/30/1326521530.db2.gz RMNCEQFYKDKCTE-ZIAGYGMSSA-N 1 3 347.425 2.273 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC[C@H](C)F)C(C)(C)C)CC1 ZINC001284653693 1326647821 /nfs/dbraw/zinc/64/78/21/1326647821.db2.gz VBSWSRAJTVSLSU-DOTOQJQBSA-N 1 3 339.499 2.200 10 30 EEEEHO C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001492164677 1331029402 /nfs/dbraw/zinc/02/94/02/1331029402.db2.gz DBOQXCWFGHSPFQ-QFBILLFUSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001492164677 1331029404 /nfs/dbraw/zinc/02/94/04/1331029404.db2.gz DBOQXCWFGHSPFQ-QFBILLFUSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001322089424 1333207384 /nfs/dbraw/zinc/20/73/84/1333207384.db2.gz SEHJQSTXYUBDNG-HOTGVXAUSA-N 1 3 345.462 2.326 10 30 EEEEHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1C(F)(F)F ZINC001332458538 1335828582 /nfs/dbraw/zinc/82/85/82/1335828582.db2.gz HWSAISIGOAPRMZ-HIFRSBDPSA-N 1 3 347.425 2.273 10 30 EEEEHO C=C(Cl)CN[C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001479690455 1337362283 /nfs/dbraw/zinc/36/22/83/1337362283.db2.gz PIUHVPSMADPAAJ-OAHLLOKOSA-N 1 3 327.900 2.442 10 30 EEEEHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1NCC#Cc1ccccc1 ZINC001502754348 1342229503 /nfs/dbraw/zinc/22/95/03/1342229503.db2.gz PCRMLMULAHVLAE-AZUAARDMSA-N 1 3 341.499 2.207 10 30 EEEEHO CC#CCN1CCC[C@@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001569725549 1342934363 /nfs/dbraw/zinc/93/43/63/1342934363.db2.gz AXSAGADVDQBSHQ-FQEVSTJZSA-N 1 3 333.520 2.494 10 30 EEEEHO C#CCN1CC[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]2C1 ZINC001656839889 1354283317 /nfs/dbraw/zinc/28/33/17/1354283317.db2.gz MOUNPIIDJXLTPB-MOPGFXCFSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2CCCC)CC1 ZINC001663123818 1354923344 /nfs/dbraw/zinc/92/33/44/1354923344.db2.gz LCXNWYWOZKKYGM-IBGZPJMESA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CCCC)CC1 ZINC001663123818 1354923348 /nfs/dbraw/zinc/92/33/48/1354923348.db2.gz LCXNWYWOZKKYGM-IBGZPJMESA-N 1 3 333.520 2.493 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001663968813 1355063994 /nfs/dbraw/zinc/06/39/94/1355063994.db2.gz WMBVBNFAUVPFLE-GOSISDBHSA-N 1 3 346.450 2.120 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001663968813 1355063998 /nfs/dbraw/zinc/06/39/98/1355063998.db2.gz WMBVBNFAUVPFLE-GOSISDBHSA-N 1 3 346.450 2.120 10 30 EEEEHO CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001667107773 1355649452 /nfs/dbraw/zinc/64/94/52/1355649452.db2.gz HGGNAGXHVWNODM-LPHOPBHVSA-N 1 3 339.499 2.343 10 30 EEEEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001674674434 1356873043 /nfs/dbraw/zinc/87/30/43/1356873043.db2.gz RUPDNFUHFDGAJH-HZPDHXFCSA-N 1 3 345.462 2.144 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001699983765 1405626900 /nfs/dbraw/zinc/62/69/00/1405626900.db2.gz DKBXMPPOYRIWEF-FQEVSTJZSA-N 1 3 341.499 2.358 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001699983765 1405626913 /nfs/dbraw/zinc/62/69/13/1405626913.db2.gz DKBXMPPOYRIWEF-FQEVSTJZSA-N 1 3 341.499 2.358 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC)CC2(C)C)CC1 ZINC000941239628 780230665 /nfs/dbraw/zinc/23/06/65/780230665.db2.gz QUUYTNRCQSTIBI-SFHVURJKSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)CC2(C)C)CC1 ZINC000941239628 780230676 /nfs/dbraw/zinc/23/06/76/780230676.db2.gz QUUYTNRCQSTIBI-SFHVURJKSA-N 1 3 333.520 2.348 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001441577092 1095368756 /nfs/dbraw/zinc/36/87/56/1095368756.db2.gz UUEHBTCJHZBWKP-IBGZPJMESA-N 1 3 342.487 2.227 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001441577092 1095368769 /nfs/dbraw/zinc/36/87/69/1095368769.db2.gz UUEHBTCJHZBWKP-IBGZPJMESA-N 1 3 342.487 2.227 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001442206100 1096491711 /nfs/dbraw/zinc/49/17/11/1096491711.db2.gz PFGORKNPOPOLNK-MOPGFXCFSA-N 1 3 342.487 2.415 10 30 EEEEHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1)N(C)C ZINC001480158200 1099731311 /nfs/dbraw/zinc/73/13/11/1099731311.db2.gz KVRXRUJLEZVTCJ-BZSNNMDCSA-N 1 3 347.890 2.269 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480708531 1106928104 /nfs/dbraw/zinc/92/81/04/1106928104.db2.gz GXVOIUOMNUEYTJ-LSDHHAIUSA-N 1 3 348.516 2.477 10 30 EEEEHO C#CCN1CCC[C@](C)(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001500523124 1112915820 /nfs/dbraw/zinc/91/58/20/1112915820.db2.gz RCOOCLWILFOWBH-RTBURBONSA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCN1CCC[C@](C)(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001500523124 1112915826 /nfs/dbraw/zinc/91/58/26/1112915826.db2.gz RCOOCLWILFOWBH-RTBURBONSA-N 1 3 337.483 2.050 10 30 EEEEHO C=CCC[NH2+]C1CC(N(C)C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001508137464 1115425456 /nfs/dbraw/zinc/42/54/56/1115425456.db2.gz UITPJUBQMRXESF-JMLCCBQJSA-N 1 3 325.472 2.354 10 30 EEEEHO CC[C@H](O)[C@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872650 465271650 /nfs/dbraw/zinc/27/16/50/465271650.db2.gz GIVPJINMCYAWSV-YRPNKDGESA-N 1 3 336.520 2.241 10 30 EEEEHO CC[C@H](O)[C@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872650 465271656 /nfs/dbraw/zinc/27/16/56/465271656.db2.gz GIVPJINMCYAWSV-YRPNKDGESA-N 1 3 336.520 2.241 10 30 EEEEHO CC[C@H](O)[C@H]1CCCC[N@H+]1CC#CCN1CCCC[C@H]1[C@@H](O)CC ZINC000341872650 465271664 /nfs/dbraw/zinc/27/16/64/465271664.db2.gz GIVPJINMCYAWSV-YRPNKDGESA-N 1 3 336.520 2.241 10 30 EEEEHO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC#CCN1CCCC[C@H]1[C@@H](O)CC ZINC000341872650 465271669 /nfs/dbraw/zinc/27/16/69/465271669.db2.gz GIVPJINMCYAWSV-YRPNKDGESA-N 1 3 336.520 2.241 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000246564412 464600494 /nfs/dbraw/zinc/60/04/94/464600494.db2.gz YFFYZKGRPRTADA-WMZOPIPTSA-N 1 3 336.524 2.399 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000246564412 464600498 /nfs/dbraw/zinc/60/04/98/464600498.db2.gz YFFYZKGRPRTADA-WMZOPIPTSA-N 1 3 336.524 2.399 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(C#N)ccc1Cl ZINC000597943346 468720012 /nfs/dbraw/zinc/72/00/12/468720012.db2.gz YURKPGICYYYKLE-ZDUSSCGKSA-N 1 3 336.867 2.213 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(C#N)ccc1Cl ZINC000597943346 468720017 /nfs/dbraw/zinc/72/00/17/468720017.db2.gz YURKPGICYYYKLE-ZDUSSCGKSA-N 1 3 336.867 2.213 10 30 EEEEHO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001691251355 1177772413 /nfs/dbraw/zinc/77/24/13/1177772413.db2.gz VBPONUHZKFSLFJ-HDMKZQKVSA-N 1 3 325.472 2.259 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001266993722 1178051675 /nfs/dbraw/zinc/05/16/75/1178051675.db2.gz DMMWWTPBERTECA-MRXNPFEDSA-N 1 3 345.462 2.096 10 30 EEEEHO C#CCN1CCC(C(=O)NCc2ccc(C[NH2+]CC(C)C)cc2)CC1 ZINC001267941325 1180797161 /nfs/dbraw/zinc/79/71/61/1180797161.db2.gz VEYGASHVUCIGRA-UHFFFAOYSA-N 1 3 341.499 2.394 10 30 EEEEHO CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001267946866 1180807920 /nfs/dbraw/zinc/80/79/20/1180807920.db2.gz CFIWHYJKCMEWFP-LJQANCHMSA-N 1 3 333.520 2.491 10 30 EEEEHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001284738122 1184753295 /nfs/dbraw/zinc/75/32/95/1184753295.db2.gz SPRYUTNQQQZFSJ-UONOGXRCSA-N 1 3 335.414 2.272 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CC2=CCCCC2)CC1 ZINC001270605217 1185199958 /nfs/dbraw/zinc/19/99/58/1185199958.db2.gz XABPIPOEINOWBR-QGZVFWFLSA-N 1 3 331.504 2.174 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001410213514 1197606793 /nfs/dbraw/zinc/60/67/93/1197606793.db2.gz FHCRDRRAUORYFJ-GUDVDZBRSA-N 1 3 342.487 2.129 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000876734359 1199746796 /nfs/dbraw/zinc/74/67/96/1199746796.db2.gz CZRZSZPHAJZJNR-DLBZAZTESA-N 1 3 335.879 2.485 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876734359 1199746801 /nfs/dbraw/zinc/74/68/01/1199746801.db2.gz CZRZSZPHAJZJNR-DLBZAZTESA-N 1 3 335.879 2.485 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000900957866 1235045235 /nfs/dbraw/zinc/04/52/35/1235045235.db2.gz JPTKZSKLMRWBES-UHFFFAOYSA-N 1 3 331.460 2.090 10 30 EEEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C(F)(F)F ZINC001264594585 1322745405 /nfs/dbraw/zinc/74/54/05/1322745405.db2.gz NAUVGYUYEHFETH-JSGCOSHPSA-N 1 3 344.381 2.145 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001316667495 1330181341 /nfs/dbraw/zinc/18/13/41/1330181341.db2.gz WOOVHFOHHJTQCS-VQTJNVASSA-N 1 3 341.499 2.253 10 30 EEEEHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001317111707 1332084005 /nfs/dbraw/zinc/08/40/05/1332084005.db2.gz MXWGWOFWYMOUGI-HSALFYBXSA-N 1 3 339.483 2.149 10 30 EEEEHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001317111707 1332084006 /nfs/dbraw/zinc/08/40/06/1332084006.db2.gz MXWGWOFWYMOUGI-HSALFYBXSA-N 1 3 339.483 2.149 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001320612569 1332920570 /nfs/dbraw/zinc/92/05/70/1332920570.db2.gz BVJYFKRHQZBPCQ-XJKSGUPXSA-N 1 3 336.505 2.190 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CCC[NH2+]CC=C(Cl)Cl)CC1 ZINC001322844967 1333340003 /nfs/dbraw/zinc/34/00/03/1333340003.db2.gz UYSCEISVWKCVHR-UHFFFAOYSA-N 1 3 346.302 2.089 10 30 EEEEHO C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](F)CN(CC)CC)C[C@@]2(C)C1 ZINC001330527507 1334864739 /nfs/dbraw/zinc/86/47/39/1334864739.db2.gz AEVQWMHKFVGGRF-NXHRZFHOSA-N 1 3 325.472 2.023 10 30 EEEEHO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](F)CN(CC)CC)C[C@@]2(C)C1 ZINC001330527507 1334864741 /nfs/dbraw/zinc/86/47/41/1334864741.db2.gz AEVQWMHKFVGGRF-NXHRZFHOSA-N 1 3 325.472 2.023 10 30 EEEEHO C=C(C)CCN1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001502532432 1342203645 /nfs/dbraw/zinc/20/36/45/1342203645.db2.gz QKPZDAZQFRKRBF-IBGZPJMESA-N 1 3 329.488 2.447 10 30 EEEEHO CC#CCN1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661752504 1354690032 /nfs/dbraw/zinc/69/00/32/1354690032.db2.gz KREUQOJJVRXSPJ-MOPGFXCFSA-N 1 3 333.520 2.348 10 30 EEEEHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC#Cc1ccc(F)cc1 ZINC001665793174 1355389968 /nfs/dbraw/zinc/38/99/68/1355389968.db2.gz NOLQRHUXGOYTLP-AYOQOUSVSA-N 1 3 345.462 2.002 10 30 EEEEHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC#Cc1ccc(F)cc1 ZINC001665793174 1355389972 /nfs/dbraw/zinc/38/99/72/1355389972.db2.gz NOLQRHUXGOYTLP-AYOQOUSVSA-N 1 3 345.462 2.002 10 30 EEEEHO C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001666500865 1355534943 /nfs/dbraw/zinc/53/49/43/1355534943.db2.gz DDJHTIRQDPCVFC-UHFFFAOYSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CN(C)CC(C)(C)C)CC2 ZINC001666500865 1355534948 /nfs/dbraw/zinc/53/49/48/1355534948.db2.gz DDJHTIRQDPCVFC-UHFFFAOYSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001669482105 1356164530 /nfs/dbraw/zinc/16/45/30/1356164530.db2.gz FFLSGRNXABCPPZ-QZTJIDSGSA-N 1 3 341.499 2.496 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698862226 1405117906 /nfs/dbraw/zinc/11/79/06/1405117906.db2.gz WSCGHCQUUJFCHX-IBGZPJMESA-N 1 3 341.499 2.351 10 30 EEEEHO C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC[N@@H+](C)CC)C[C@@H]2C1 ZINC001441341547 1094838333 /nfs/dbraw/zinc/83/83/33/1094838333.db2.gz PTWDPCLZRYWBKA-ARFHVFGLSA-N 1 3 327.900 2.297 10 30 EEEEHO C=C(Cl)CN1C[C@@H]2CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001441341547 1094838353 /nfs/dbraw/zinc/83/83/53/1094838353.db2.gz PTWDPCLZRYWBKA-ARFHVFGLSA-N 1 3 327.900 2.297 10 30 EEEEHO C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001480161202 1099734244 /nfs/dbraw/zinc/73/42/44/1099734244.db2.gz CAQOKTIFYNQQQE-MXVIHJGJSA-N 1 3 339.483 2.007 10 30 EEEEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001447563636 1102868892 /nfs/dbraw/zinc/86/88/92/1102868892.db2.gz HYOPZTPSFZXOFJ-UHFFFAOYSA-N 1 3 342.487 2.371 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001480597512 1106736293 /nfs/dbraw/zinc/73/62/93/1106736293.db2.gz QJLBTVPDKQQAQF-CVEARBPZSA-N 1 3 345.462 2.326 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC2CCCCC2)C2CC2)CC1 ZINC001498874423 1108258739 /nfs/dbraw/zinc/25/87/39/1108258739.db2.gz KTVBEYLBLJGNFN-FQEVSTJZSA-N 1 3 345.531 2.396 10 30 EEEEHO C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001500616607 1112978756 /nfs/dbraw/zinc/97/87/56/1112978756.db2.gz GJBNETQBXONONX-HZPDHXFCSA-N 1 3 343.462 2.368 10 30 EEEEHO C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001500616607 1112978758 /nfs/dbraw/zinc/97/87/58/1112978758.db2.gz GJBNETQBXONONX-HZPDHXFCSA-N 1 3 343.462 2.368 10 30 EEEEHO CC#CC[NH2+][C@@H](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccccc1 ZINC001507390217 1115246925 /nfs/dbraw/zinc/24/69/25/1115246925.db2.gz SWDKLEIYFKBVCV-ICSRJNTNSA-N 1 3 341.499 2.059 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2c(C)cccc2C)CC1 ZINC001569099274 1125097107 /nfs/dbraw/zinc/09/71/07/1125097107.db2.gz XLGWZPXXEXHNIT-SFHVURJKSA-N 1 3 341.499 2.243 10 30 EEEEHO C=CC[C@@H](CO)C[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000341272323 465086024 /nfs/dbraw/zinc/08/60/24/465086024.db2.gz NVEKUQMUWSGINN-GOSISDBHSA-N 1 3 331.504 2.493 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CCC(C[NH+](CC)CC)CC2)CC1 ZINC000358818060 465340648 /nfs/dbraw/zinc/34/06/48/465340648.db2.gz NZOVSDOZJMBESH-UHFFFAOYSA-N 1 3 336.524 2.400 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000176499363 464787455 /nfs/dbraw/zinc/78/74/55/464787455.db2.gz OQUAPWFVUYRREK-AYHJJNSGSA-N 1 3 334.508 2.341 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000176499363 464787461 /nfs/dbraw/zinc/78/74/61/464787461.db2.gz OQUAPWFVUYRREK-AYHJJNSGSA-N 1 3 334.508 2.341 10 30 EEEEHO C[NH+]=C(NCCc1sc(C)nc1C)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000086911631 526366296 /nfs/dbraw/zinc/36/62/96/526366296.db2.gz WGIDSXXJFQMEKY-MQVJKMGUSA-N 1 3 349.548 2.483 10 30 EEEEHO C#CCN(C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCN(C)CC1 ZINC000914357203 683530709 /nfs/dbraw/zinc/53/07/09/683530709.db2.gz CAVOXIZUIGDPPR-OKZBNKHCSA-N 1 3 348.535 2.092 10 30 EEEEHO CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001272700465 1191863485 /nfs/dbraw/zinc/86/34/85/1191863485.db2.gz JQBZQPUSQRTKKZ-IRXDYDNUSA-N 1 3 327.472 2.319 10 30 EEEEHO CN(C)C1(C(=O)NC[C@@H]([NH2+]CC#Cc2ccccc2)C2CC2)CCC1 ZINC001266412030 1176501761 /nfs/dbraw/zinc/50/17/61/1176501761.db2.gz KWFFRQMIEFMWPE-LJQANCHMSA-N 1 3 339.483 2.007 10 30 EEEEHO C=C(C)CN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266611275 1176976184 /nfs/dbraw/zinc/97/61/84/1176976184.db2.gz CLSYUKAOJUIXJL-UXHICEINSA-N 1 3 341.499 2.489 10 30 EEEEHO C=C(C)CN(CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266611275 1176976188 /nfs/dbraw/zinc/97/61/88/1176976188.db2.gz CLSYUKAOJUIXJL-UXHICEINSA-N 1 3 341.499 2.489 10 30 EEEEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481817091 1182734061 /nfs/dbraw/zinc/73/40/61/1182734061.db2.gz SMIQXCZGIVTQRQ-RTBURBONSA-N 1 3 342.487 2.417 10 30 EEEEHO C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001481977278 1183065745 /nfs/dbraw/zinc/06/57/45/1183065745.db2.gz SJPQSPPQLDMEGK-OAHLLOKOSA-N 1 3 327.900 2.442 10 30 EEEEHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCC#Cc3ccccc3)CCCC2)C1 ZINC001270818648 1185419569 /nfs/dbraw/zinc/41/95/69/1185419569.db2.gz ACSQUXASQNBMMM-LJQANCHMSA-N 1 3 339.483 2.008 10 30 EEEEHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCC#Cc3ccccc3)CCCC2)C1 ZINC001270818648 1185419572 /nfs/dbraw/zinc/41/95/72/1185419572.db2.gz ACSQUXASQNBMMM-LJQANCHMSA-N 1 3 339.483 2.008 10 30 EEEEHO CC#CCN1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001691584288 1188283896 /nfs/dbraw/zinc/28/38/96/1188283896.db2.gz DKEOBQFZPWTNBD-MOPGFXCFSA-N 1 3 331.504 2.056 10 30 EEEEHO CC#CCN1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484173848 1191253815 /nfs/dbraw/zinc/25/38/15/1191253815.db2.gz IGPUKBOZIKGVSP-HXUWFJFHSA-N 1 3 333.520 2.494 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+]Cc2cccc(C)c2)CC1 ZINC001274609413 1205096593 /nfs/dbraw/zinc/09/65/93/1205096593.db2.gz KTOZXJOXYAACGG-PLNGDYQASA-N 1 3 339.483 2.102 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001275816746 1205548089 /nfs/dbraw/zinc/54/80/89/1205548089.db2.gz MTCWLGFEEHHXHU-PMACEKPBSA-N 1 3 345.531 2.396 10 30 EEEEHO C=C(Br)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001672896031 1278405689 /nfs/dbraw/zinc/40/56/89/1278405689.db2.gz AFWYQRZEJKPFNO-KGLIPLIRSA-N 1 3 346.313 2.063 10 30 EEEEHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(CCO[C@@H](C)C#N)C2)ccn1 ZINC000856603705 1293579281 /nfs/dbraw/zinc/57/92/81/1293579281.db2.gz DGEWJQRTARTGPV-QFBILLFUSA-N 1 3 346.475 2.304 10 30 EEEEHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(CCO[C@@H](C)C#N)C2)ccn1 ZINC000856603705 1293579289 /nfs/dbraw/zinc/57/92/89/1293579289.db2.gz DGEWJQRTARTGPV-QFBILLFUSA-N 1 3 346.475 2.304 10 30 EEEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266241898 1323831288 /nfs/dbraw/zinc/83/12/88/1323831288.db2.gz VVDDNSDPVZIRGL-CVEARBPZSA-N 1 3 327.900 2.442 10 30 EEEEHO CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001264677995 1322779618 /nfs/dbraw/zinc/77/96/18/1322779618.db2.gz NCAPZWHDJSKLGG-IAGOWNOFSA-N 1 3 325.472 2.050 10 30 EEEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266241898 1323831281 /nfs/dbraw/zinc/83/12/81/1323831281.db2.gz VVDDNSDPVZIRGL-CVEARBPZSA-N 1 3 327.900 2.442 10 30 EEEEHO C#CCC[N@H+]1CCc2c(CNC(=O)C3(N(C)C)CCC3)cccc2C1 ZINC001280427268 1324219868 /nfs/dbraw/zinc/21/98/68/1324219868.db2.gz YQEQNUZHPYONLU-UHFFFAOYSA-N 1 3 339.483 2.169 10 30 EEEEHO C#CCC[N@@H+]1CCc2c(CNC(=O)C3(N(C)C)CCC3)cccc2C1 ZINC001280427268 1324219874 /nfs/dbraw/zinc/21/98/74/1324219874.db2.gz YQEQNUZHPYONLU-UHFFFAOYSA-N 1 3 339.483 2.169 10 30 EEEEHO C#CCCN1CC[C@H](N(CCC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317770573 1332403688 /nfs/dbraw/zinc/40/36/88/1332403688.db2.gz SMWTYFSBGPTFEX-FQEVSTJZSA-N 1 3 345.531 2.445 10 30 EEEEHO C[C@@H](CCCNCc1ccccc1C#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001330818168 1334908666 /nfs/dbraw/zinc/90/86/66/1334908666.db2.gz AEVRNRLFCMTGFA-FRQCXROJSA-N 1 3 342.487 2.273 10 30 EEEEHO C[C@@H](CCCNCc1ccccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001330818168 1334908668 /nfs/dbraw/zinc/90/86/68/1334908668.db2.gz AEVRNRLFCMTGFA-FRQCXROJSA-N 1 3 342.487 2.273 10 30 EEEEHO CC[C@@H](C(=O)NC[C@H](C)NCC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001567052569 1342687237 /nfs/dbraw/zinc/68/72/37/1342687237.db2.gz GIBKGOFNAUWRGC-LPHOPBHVSA-N 1 3 347.478 2.392 10 30 EEEEHO CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCCN2C(C)C)CC1 ZINC001569705739 1342927362 /nfs/dbraw/zinc/92/73/62/1342927362.db2.gz XKHVRJNCZXYJQU-GOSISDBHSA-N 1 3 333.520 2.491 10 30 EEEEHO CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001656650615 1354257593 /nfs/dbraw/zinc/25/75/93/1354257593.db2.gz IEHYXSJLCHNEKT-YZGWKJHDSA-N 1 3 345.531 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[NH2+]Cc2cccc(CC)c2)CC1 ZINC001664391776 1355152817 /nfs/dbraw/zinc/15/28/17/1355152817.db2.gz RAVGYGPJVCQACW-UHFFFAOYSA-N 1 3 341.499 2.142 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2cccc(C)c2)CC1 ZINC001674261832 1356807560 /nfs/dbraw/zinc/80/75/60/1356807560.db2.gz NUBVYTLPECRACU-SFHVURJKSA-N 1 3 341.499 2.325 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941157412 779999130 /nfs/dbraw/zinc/99/91/30/779999130.db2.gz BZFWIJZOZWVPEZ-IBGZPJMESA-N 1 3 345.531 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCC)[C@@H]2CC)CC1 ZINC001566028886 1125504824 /nfs/dbraw/zinc/50/48/24/1125504824.db2.gz JGSUURISGYLOMS-RBUKOAKNSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCCC)[C@@H]2CC)CC1 ZINC001566028886 1125504828 /nfs/dbraw/zinc/50/48/28/1125504828.db2.gz JGSUURISGYLOMS-RBUKOAKNSA-N 1 3 333.520 2.491 10 30 EEEEHO C=C(Br)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001438777304 1091370780 /nfs/dbraw/zinc/37/07/80/1091370780.db2.gz UNJKHCXUJYHVJZ-GXTWGEPZSA-N 1 3 346.313 2.063 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001441849661 1095935551 /nfs/dbraw/zinc/93/55/51/1095935551.db2.gz MYJHQASNUFWBCQ-BBRMVZONSA-N 1 3 334.489 2.087 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001441849661 1095935561 /nfs/dbraw/zinc/93/55/61/1095935561.db2.gz MYJHQASNUFWBCQ-BBRMVZONSA-N 1 3 334.489 2.087 10 30 EEEEHO C=C(Br)CNCCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001498552076 1107707812 /nfs/dbraw/zinc/70/78/12/1107707812.db2.gz NIWVBZCFFUKSHG-CQSZACIVSA-N 1 3 346.313 2.206 10 30 EEEEHO C=C(Br)CNCCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001498552076 1107707799 /nfs/dbraw/zinc/70/77/99/1107707799.db2.gz NIWVBZCFFUKSHG-CQSZACIVSA-N 1 3 346.313 2.206 10 30 EEEEHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)C(C)C ZINC000173927461 527649002 /nfs/dbraw/zinc/64/90/02/527649002.db2.gz LKWZPHAYUADPRN-RTBURBONSA-N 1 3 346.519 2.341 10 30 EEEEHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266855995 1177582380 /nfs/dbraw/zinc/58/23/80/1177582380.db2.gz IUMABILXJORZTP-APWZRJJASA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266855995 1177582383 /nfs/dbraw/zinc/58/23/83/1177582383.db2.gz IUMABILXJORZTP-APWZRJJASA-N 1 3 337.483 2.193 10 30 EEEEHO C#CC[NH2+]CCCCCCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001692161506 1178008909 /nfs/dbraw/zinc/00/89/09/1178008909.db2.gz IIXGOCQRXISFAD-IBGZPJMESA-N 1 3 339.499 2.441 10 30 EEEEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001267109129 1178263712 /nfs/dbraw/zinc/26/37/12/1178263712.db2.gz BZPLSWSZMHMXBW-ZIAGYGMSSA-N 1 3 334.489 2.041 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001267155367 1178339652 /nfs/dbraw/zinc/33/96/52/1178339652.db2.gz QUQJVQFZHLJESV-HNNXBMFYSA-N 1 3 333.501 2.078 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001482031681 1183169536 /nfs/dbraw/zinc/16/95/36/1183169536.db2.gz WSTKUCOBDWIAJN-FQEVSTJZSA-N 1 3 339.483 2.433 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC001482031681 1183169539 /nfs/dbraw/zinc/16/95/39/1183169539.db2.gz WSTKUCOBDWIAJN-FQEVSTJZSA-N 1 3 339.483 2.433 10 30 EEEEHO C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001270042492 1184808607 /nfs/dbraw/zinc/80/86/07/1184808607.db2.gz QFGSIRNHCWJICF-VPLLLXJESA-N 1 3 337.508 2.079 10 30 EEEEHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001482570606 1186905729 /nfs/dbraw/zinc/90/57/29/1186905729.db2.gz FPBYBOYOXSILAY-GOSISDBHSA-N 1 3 348.466 2.268 10 30 EEEEHO CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001484462099 1191366453 /nfs/dbraw/zinc/36/64/53/1191366453.db2.gz BELGZZIQBAUBSP-RTBURBONSA-N 1 3 331.504 2.341 10 30 EEEEHO C=C(Br)C[NH2+]CC[C@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001484550102 1191409804 /nfs/dbraw/zinc/40/98/04/1191409804.db2.gz PPFKJLQOOPJZOR-AWEZNQCLSA-N 1 3 346.313 2.065 10 30 EEEEHO C=CCCN1CCOC2(CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001485009400 1191614456 /nfs/dbraw/zinc/61/44/56/1191614456.db2.gz CLEYROPXMBXVCF-UHFFFAOYSA-N 1 3 349.519 2.132 10 30 EEEEHO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000876779910 1199771199 /nfs/dbraw/zinc/77/11/99/1199771199.db2.gz NTEFIDQGZZXBFH-INIZCTEOSA-N 1 3 336.867 2.237 10 30 EEEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000876898237 1199811228 /nfs/dbraw/zinc/81/12/28/1199811228.db2.gz PWOFRVOKBGLXMJ-XJKSGUPXSA-N 1 3 336.867 2.193 10 30 EEEEHO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CNCCC3(F)F)CC2)cc1 ZINC000925782810 1206153420 /nfs/dbraw/zinc/15/34/20/1206153420.db2.gz MRRLHXHUPKMPPO-QGZVFWFLSA-N 1 3 348.441 2.357 10 30 EEEEHO C#CCN1CCC(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000928012112 1206326713 /nfs/dbraw/zinc/32/67/13/1206326713.db2.gz STNZJRDRXQZQIK-UHFFFAOYSA-N 1 3 331.504 2.245 10 30 EEEEHO CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001490985414 1258543499 /nfs/dbraw/zinc/54/34/99/1258543499.db2.gz YTVSDDJZDAFFRP-MOPGFXCFSA-N 1 3 331.504 2.199 10 30 EEEEHO CCN(CCNCc1ccc(F)c(C#N)c1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273598209 1280784898 /nfs/dbraw/zinc/78/48/98/1280784898.db2.gz ZHQYXGCLCSMIJI-GOSISDBHSA-N 1 3 348.466 2.222 10 30 EEEEHO CN1CCC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000852869645 1292221645 /nfs/dbraw/zinc/22/16/45/1292221645.db2.gz DBTWSEBKGXNRMN-VQIMIIECSA-N 1 3 345.512 2.250 10 30 EEEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001279002888 1318970241 /nfs/dbraw/zinc/97/02/41/1318970241.db2.gz QVIMCUMMBSXGOV-BEFAXECRSA-N 1 3 339.499 2.343 10 30 EEEEHO C=CCCC[C@@H](N)C(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001263186429 1322442048 /nfs/dbraw/zinc/44/20/48/1322442048.db2.gz BVCMHRDMDVZPTJ-IAGOWNOFSA-N 1 3 343.471 2.432 10 30 EEEEHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001265554191 1323217552 /nfs/dbraw/zinc/21/75/52/1323217552.db2.gz MWPPSDQTKSZULL-FRYIKTPZSA-N 1 3 339.483 2.005 10 30 EEEEHO C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001265554191 1323217559 /nfs/dbraw/zinc/21/75/59/1323217559.db2.gz MWPPSDQTKSZULL-FRYIKTPZSA-N 1 3 339.483 2.005 10 30 EEEEHO CN(C(=O)CCCC[NH+](C)C)C1CC(NCC#Cc2ccccc2)C1 ZINC001279315612 1323871909 /nfs/dbraw/zinc/87/19/09/1323871909.db2.gz MVUOMNSNKQLRQM-UHFFFAOYSA-N 1 3 341.499 2.349 10 30 EEEEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001326307136 1334065117 /nfs/dbraw/zinc/06/51/17/1334065117.db2.gz ZGBMEFJEJMDFPB-VQTJNVASSA-N 1 3 341.499 2.207 10 30 EEEEHO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001668214020 1355900866 /nfs/dbraw/zinc/90/08/66/1355900866.db2.gz HMHXOLVVWGKALA-CJNGLKHVSA-N 1 3 333.879 2.436 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001500292314 1342139281 /nfs/dbraw/zinc/13/92/81/1342139281.db2.gz IBTNOEWLAOMVAH-PXDRNWIDSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](CC/C=C\CC)C2)CC1 ZINC001500292314 1342139282 /nfs/dbraw/zinc/13/92/82/1342139282.db2.gz IBTNOEWLAOMVAH-PXDRNWIDSA-N 1 3 331.504 2.269 10 30 EEEEHO C=CCC[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC001673209693 1354183575 /nfs/dbraw/zinc/18/35/75/1354183575.db2.gz FSUBHQSUGBHZKP-GOSISDBHSA-N 1 3 325.472 2.404 10 30 EEEEHO CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001667107772 1355649157 /nfs/dbraw/zinc/64/91/57/1355649157.db2.gz HGGNAGXHVWNODM-APWZRJJASA-N 1 3 339.499 2.343 10 30 EEEEHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001699758675 1405469522 /nfs/dbraw/zinc/46/95/22/1405469522.db2.gz MLYUVCWBMCBOAK-YJBOKZPZSA-N 1 3 325.472 2.356 10 30 EEEEHO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001699805095 1405496314 /nfs/dbraw/zinc/49/63/14/1405496314.db2.gz LJHAXGGESLBJKA-HXUWFJFHSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001699805095 1405496322 /nfs/dbraw/zinc/49/63/22/1405496322.db2.gz LJHAXGGESLBJKA-HXUWFJFHSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1CCN(C)CC1 ZINC000919143378 769637161 /nfs/dbraw/zinc/63/71/61/769637161.db2.gz HXKGXSUKCHIRLG-QGZVFWFLSA-N 1 3 336.524 2.092 10 30 EEEEHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001438851131 1091488628 /nfs/dbraw/zinc/48/86/28/1091488628.db2.gz QBNZRQFZRUXSER-GOSISDBHSA-N 1 3 348.466 2.268 10 30 EEEEHO C[C@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CN1C(=O)CCC[NH+](C)C ZINC001441828639 1095884235 /nfs/dbraw/zinc/88/42/35/1095884235.db2.gz BMGWMNVOONOMMN-YOEHRIQHSA-N 1 3 346.450 2.118 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001497501556 1102590518 /nfs/dbraw/zinc/59/05/18/1102590518.db2.gz XQSNILZTYMNGIY-GJZGRUSLSA-N 1 3 348.516 2.431 10 30 EEEEHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCC#Cc1ccccc1 ZINC001494983444 1104627181 /nfs/dbraw/zinc/62/71/81/1104627181.db2.gz NSYXKAMSSFAMPW-HSALFYBXSA-N 1 3 341.499 2.253 10 30 EEEEHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCC#Cc1ccccc1 ZINC001494983444 1104627183 /nfs/dbraw/zinc/62/71/83/1104627183.db2.gz NSYXKAMSSFAMPW-HSALFYBXSA-N 1 3 341.499 2.253 10 30 EEEEHO CN(CCC[NH2+]CC#Cc1ccccc1Cl)C(=O)CN1CCCC1 ZINC001498656004 1107906679 /nfs/dbraw/zinc/90/66/79/1107906679.db2.gz YHESFPNOVUSPHO-UHFFFAOYSA-N 1 3 347.890 2.225 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001507298911 1115180371 /nfs/dbraw/zinc/18/03/71/1115180371.db2.gz RZVLBDGWAGSQQG-KBXCAEBGSA-N 1 3 346.450 2.117 10 30 EEEEHO CC#CCNCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001568118515 1124312610 /nfs/dbraw/zinc/31/26/10/1124312610.db2.gz WCGUZNAXMDQTLF-IBGZPJMESA-N 1 3 327.472 2.289 10 30 EEEEHO CC#CCNCc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001568118515 1124312611 /nfs/dbraw/zinc/31/26/11/1124312611.db2.gz WCGUZNAXMDQTLF-IBGZPJMESA-N 1 3 327.472 2.289 10 30 EEEEHO CCCN(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001568539735 1124600809 /nfs/dbraw/zinc/60/08/09/1124600809.db2.gz FMRPRCKUAFOWDG-VQTJNVASSA-N 1 3 341.499 2.254 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)NCCC2CC[NH+](CC)CC2)CC1 ZINC000074129911 462559649 /nfs/dbraw/zinc/55/96/49/462559649.db2.gz NXJISIILMBVSKE-UHFFFAOYSA-N 1 3 336.524 2.448 10 30 EEEEHO CC(C)C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)NCC[NH+](C)C ZINC000347252617 466511532 /nfs/dbraw/zinc/51/15/32/466511532.db2.gz QUQDWUYXTLEMKO-YJBOKZPZSA-N 1 3 330.476 2.301 10 30 EEEEHO CC(C)C[N@H+](C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000593203243 468903165 /nfs/dbraw/zinc/90/31/65/468903165.db2.gz IWVKMZVUWWWULI-SFHVURJKSA-N 1 3 326.444 2.335 10 30 EEEEHO CC(C)C[N@@H+](C)CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000593203243 468903171 /nfs/dbraw/zinc/90/31/71/468903171.db2.gz IWVKMZVUWWWULI-SFHVURJKSA-N 1 3 326.444 2.335 10 30 EEEEHO C=CC[C@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662738688 472229048 /nfs/dbraw/zinc/22/90/48/472229048.db2.gz YPVGALISAWRUDG-UYAOXDASSA-N 1 3 327.472 2.466 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCCCCC)CC1 ZINC001266495576 1176638805 /nfs/dbraw/zinc/63/88/05/1176638805.db2.gz PGBMBQCKXWFEOT-IBGZPJMESA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCCCC)CC1 ZINC001266495576 1176638807 /nfs/dbraw/zinc/63/88/07/1176638807.db2.gz PGBMBQCKXWFEOT-IBGZPJMESA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266891846 1177729707 /nfs/dbraw/zinc/72/97/07/1177729707.db2.gz RQCULUFKPZULOY-ZWKOTPCHSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001266994348 1178052816 /nfs/dbraw/zinc/05/28/16/1178052816.db2.gz LPJIBXPOHPOVHB-ZWKOTPCHSA-N 1 3 341.499 2.496 10 30 EEEEHO C=C(C)CN[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001267361942 1178838699 /nfs/dbraw/zinc/83/86/99/1178838699.db2.gz LYULVAQXNGJEOY-RBUKOAKNSA-N 1 3 327.472 2.351 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001268962717 1183860804 /nfs/dbraw/zinc/86/08/04/1183860804.db2.gz WMNBPGCRRSLGLN-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001482367933 1185528346 /nfs/dbraw/zinc/52/83/46/1185528346.db2.gz CINWNEQIXYJSGS-QUCCMNQESA-N 1 3 341.499 2.349 10 30 EEEEHO CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001482367933 1185528348 /nfs/dbraw/zinc/52/83/48/1185528348.db2.gz CINWNEQIXYJSGS-QUCCMNQESA-N 1 3 341.499 2.349 10 30 EEEEHO C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001482698694 1187668298 /nfs/dbraw/zinc/66/82/98/1187668298.db2.gz RPFQAXBAAPOYBM-MOPGFXCFSA-N 1 3 327.472 2.260 10 30 EEEEHO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001485159454 1191673915 /nfs/dbraw/zinc/67/39/15/1191673915.db2.gz XLKYOWQUTDIOJM-CVEARBPZSA-N 1 3 345.462 2.144 10 30 EEEEHO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001410927670 1198592614 /nfs/dbraw/zinc/59/26/14/1198592614.db2.gz UZGLHRDMQIDVOD-OWCLPIDISA-N 1 3 327.900 2.296 10 30 EEEEHO C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCN1C(C)C ZINC001275062497 1205246776 /nfs/dbraw/zinc/24/67/76/1205246776.db2.gz ATBADDXJCNITPG-HSALFYBXSA-N 1 3 339.483 2.254 10 30 EEEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CCC=C)CCCCC2)CC1 ZINC001276244851 1205851847 /nfs/dbraw/zinc/85/18/47/1205851847.db2.gz WGXYTONHTCKZRJ-UHFFFAOYSA-N 1 3 331.504 2.316 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000900139013 1234042998 /nfs/dbraw/zinc/04/29/98/1234042998.db2.gz VMATUHOOPUPAGM-UHFFFAOYSA-N 1 3 329.488 2.447 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001277362144 1302654958 /nfs/dbraw/zinc/65/49/58/1302654958.db2.gz BFEGTWSFJGEADG-KRWDZBQOSA-N 1 3 347.478 2.392 10 30 EEEEHO C[C@H](NCC#Cc1ccccc1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266007206 1323561328 /nfs/dbraw/zinc/56/13/28/1323561328.db2.gz VJKMYHNNVROSRH-AZUAARDMSA-N 1 3 341.499 2.349 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001492021790 1330410560 /nfs/dbraw/zinc/41/05/60/1330410560.db2.gz KGLAQWPTUZNYCR-VQIMIIECSA-N 1 3 342.487 2.415 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001492021790 1330410562 /nfs/dbraw/zinc/41/05/62/1330410562.db2.gz KGLAQWPTUZNYCR-VQIMIIECSA-N 1 3 342.487 2.415 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCCCC[C@H](NCC#Cc2ccccc2)C1 ZINC001316775334 1331887469 /nfs/dbraw/zinc/88/74/69/1331887469.db2.gz ZYCLXNWSHXKWLH-FQEVSTJZSA-N 1 3 341.499 2.351 10 30 EEEEHO C=CC[NH2+]C[C@@](C)(NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001318712727 1332582297 /nfs/dbraw/zinc/58/22/97/1332582297.db2.gz IUWQPVPTABAUCR-MSOLQXFVSA-N 1 3 325.472 2.259 10 30 EEEEHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001319271381 1332673852 /nfs/dbraw/zinc/67/38/52/1332673852.db2.gz ZUIVVKLPAMZYFF-VQIMIIECSA-N 1 3 347.478 2.105 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001319788843 1332767987 /nfs/dbraw/zinc/76/79/87/1332767987.db2.gz UGHXNTQSSZMMBC-HZPDHXFCSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001319788843 1332767994 /nfs/dbraw/zinc/76/79/94/1332767994.db2.gz UGHXNTQSSZMMBC-HZPDHXFCSA-N 1 3 327.900 2.442 10 30 EEEEHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001569621793 1342910503 /nfs/dbraw/zinc/91/05/03/1342910503.db2.gz ITMBNCDMXMHRQU-QUCCMNQESA-N 1 3 333.520 2.445 10 30 EEEEHO C=CCOCCN1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001677612793 1357372662 /nfs/dbraw/zinc/37/26/62/1357372662.db2.gz PYOVKSBOGVZIHI-GOSISDBHSA-N 1 3 349.519 2.202 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001661972086 1354730632 /nfs/dbraw/zinc/73/06/32/1354730632.db2.gz NVYAMGKGMZVXDV-VWTAQGJOSA-N 1 3 337.895 2.055 10 30 EEEEHO CC(C)[C@H](C(=O)NC[C@H](C)NCC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001662394586 1354790419 /nfs/dbraw/zinc/79/04/19/1354790419.db2.gz LYYPSOBDYNJVIG-MAUKXSAKSA-N 1 3 349.906 2.372 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001669930539 1356242626 /nfs/dbraw/zinc/24/26/26/1356242626.db2.gz OJLLFVBKZLFVEP-ROUUACIJSA-N 1 3 335.536 2.450 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001669930539 1356242631 /nfs/dbraw/zinc/24/26/31/1356242631.db2.gz OJLLFVBKZLFVEP-ROUUACIJSA-N 1 3 335.536 2.450 10 30 EEEEHO C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001674429323 1356830386 /nfs/dbraw/zinc/83/03/86/1356830386.db2.gz DTUYYYSSHOJJFG-TZIWHRDSSA-N 1 3 339.483 2.258 10 30 EEEEHO C#CC[NH2+]C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CCCC1 ZINC001699797019 1405489616 /nfs/dbraw/zinc/48/96/16/1405489616.db2.gz SASHRBWYBZJILB-QFBILLFUSA-N 1 3 337.483 2.097 10 30 EEEEHO C#CCOc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000820983296 786547645 /nfs/dbraw/zinc/54/76/45/786547645.db2.gz PDUFBTSGKNREKY-INIZCTEOSA-N 1 3 346.475 2.092 10 30 EEEEHO C#CCOc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000820983296 786547648 /nfs/dbraw/zinc/54/76/48/786547648.db2.gz PDUFBTSGKNREKY-INIZCTEOSA-N 1 3 346.475 2.092 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)CC1(C)C ZINC001440620162 1093888066 /nfs/dbraw/zinc/88/80/66/1093888066.db2.gz KYKYTIPJOUGVGV-SFHVURJKSA-N 1 3 342.487 2.227 10 30 EEEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C(F)(F)F ZINC001479626009 1098651358 /nfs/dbraw/zinc/65/13/58/1098651358.db2.gz SMFPXOUSKLESJS-JSGCOSHPSA-N 1 3 344.381 2.145 10 30 EEEEHO C[C@@H](CNCc1ccccc1C#N)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001495719833 1101482723 /nfs/dbraw/zinc/48/27/23/1101482723.db2.gz NIXKUXZQRYUEOD-INIZCTEOSA-N 1 3 342.487 2.275 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001497312233 1102297699 /nfs/dbraw/zinc/29/76/99/1102297699.db2.gz NWDZIZCPEVTNKZ-KBXCAEBGSA-N 1 3 348.466 2.268 10 30 EEEEHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(C#N)s1 ZINC001493877336 1103015847 /nfs/dbraw/zinc/01/58/47/1103015847.db2.gz WLBQAZGRXYAKOP-OAHLLOKOSA-N 1 3 348.516 2.288 10 30 EEEEHO CC(C)N(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)s1 ZINC001493877336 1103015862 /nfs/dbraw/zinc/01/58/62/1103015862.db2.gz WLBQAZGRXYAKOP-OAHLLOKOSA-N 1 3 348.516 2.288 10 30 EEEEHO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001493240731 1107753701 /nfs/dbraw/zinc/75/37/01/1107753701.db2.gz UJLVUHGRKNRIQF-MAUKXSAKSA-N 1 3 325.472 2.213 10 30 EEEEHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001493240731 1107753715 /nfs/dbraw/zinc/75/37/15/1107753715.db2.gz UJLVUHGRKNRIQF-MAUKXSAKSA-N 1 3 325.472 2.213 10 30 EEEEHO C#CCN1CCC[C@@](C)(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001500523122 1112915285 /nfs/dbraw/zinc/91/52/85/1112915285.db2.gz RCOOCLWILFOWBH-OALUTQOASA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCN1CCC[C@@](C)(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001500523122 1112915291 /nfs/dbraw/zinc/91/52/91/1112915291.db2.gz RCOOCLWILFOWBH-OALUTQOASA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@H](C[NH2+]CCC=C)CC2)CC1 ZINC001501189992 1113234794 /nfs/dbraw/zinc/23/47/94/1113234794.db2.gz KQSFEXMDWVXYDI-WGSAOQKQSA-N 1 3 345.531 2.420 10 30 EEEEHO CCCN(C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC001568113472 1124309014 /nfs/dbraw/zinc/30/90/14/1124309014.db2.gz KGMVAMXZSMCBJO-MXVIHJGJSA-N 1 3 341.499 2.397 10 30 EEEEHO C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001568407690 1124477096 /nfs/dbraw/zinc/47/70/96/1124477096.db2.gz TUDDXZNWUVSRMA-ZWKOTPCHSA-N 1 3 333.520 2.491 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000417066715 466769271 /nfs/dbraw/zinc/76/92/71/466769271.db2.gz QZRLUGVTHJJCDK-UYAOXDASSA-N 1 3 348.535 2.470 10 30 EEEEHO COC[C@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452110455 467325996 /nfs/dbraw/zinc/32/59/96/467325996.db2.gz ZDGHQABPVXFFAR-PMACEKPBSA-N 1 3 336.520 2.487 10 30 EEEEHO COC[C@H]1CCCN(CC#CC[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452110455 467325997 /nfs/dbraw/zinc/32/59/97/467325997.db2.gz ZDGHQABPVXFFAR-PMACEKPBSA-N 1 3 336.520 2.487 10 30 EEEEHO Cc1cc(CN[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccc1C#N ZINC000443996420 467581371 /nfs/dbraw/zinc/58/13/71/467581371.db2.gz UPUFFYHDKALXLT-SFHVURJKSA-N 1 3 330.476 2.049 10 30 EEEEHO CCc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)N(C)C)cc1 ZINC000594446448 468592407 /nfs/dbraw/zinc/59/24/07/468592407.db2.gz TVTMWTQTPAHWGX-MSOLQXFVSA-N 1 3 330.476 2.379 10 30 EEEEHO CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)CN2CC[C@H](C)C2)cc1 ZINC001272700462 1191863555 /nfs/dbraw/zinc/86/35/55/1191863555.db2.gz JQBZQPUSQRTKKZ-DLBZAZTESA-N 1 3 327.472 2.319 10 30 EEEEHO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001266567656 1176859270 /nfs/dbraw/zinc/85/92/70/1176859270.db2.gz MYIWAJOXFBEDGZ-PMACEKPBSA-N 1 3 339.483 2.103 10 30 EEEEHO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001266567656 1176859281 /nfs/dbraw/zinc/85/92/81/1176859281.db2.gz MYIWAJOXFBEDGZ-PMACEKPBSA-N 1 3 339.483 2.103 10 30 EEEEHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)NCC#Cc1ccccc1 ZINC001481811503 1182739407 /nfs/dbraw/zinc/73/94/07/1182739407.db2.gz TUMNFFURNIRUBI-PMACEKPBSA-N 1 3 341.499 2.395 10 30 EEEEHO CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)NCC#Cc1ccccc1 ZINC001481811503 1182739412 /nfs/dbraw/zinc/73/94/12/1182739412.db2.gz TUMNFFURNIRUBI-PMACEKPBSA-N 1 3 341.499 2.395 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001268962716 1183860475 /nfs/dbraw/zinc/86/04/75/1183860475.db2.gz WMNBPGCRRSLGLN-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C ZINC001270569866 1185178569 /nfs/dbraw/zinc/17/85/69/1185178569.db2.gz ZZPZADJWCAKWNF-YJBOKZPZSA-N 1 3 349.906 2.374 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC001483914823 1191114967 /nfs/dbraw/zinc/11/49/67/1191114967.db2.gz RMTCKNHEJVQHDS-QFBILLFUSA-N 1 3 342.487 2.368 10 30 EEEEHO C[NH+](C)CCC(=O)NC[C@@]1(C)CCCN(Cc2ccc(C#N)cc2)C1 ZINC001484167191 1191254699 /nfs/dbraw/zinc/25/46/99/1191254699.db2.gz PYVWEUPUYNXZOP-HXUWFJFHSA-N 1 3 342.487 2.228 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001484992633 1191609347 /nfs/dbraw/zinc/60/93/47/1191609347.db2.gz KGLAQWPTUZNYCR-LPHOPBHVSA-N 1 3 342.487 2.415 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001484992633 1191609349 /nfs/dbraw/zinc/60/93/49/1191609349.db2.gz KGLAQWPTUZNYCR-LPHOPBHVSA-N 1 3 342.487 2.415 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001273019247 1194326381 /nfs/dbraw/zinc/32/63/81/1194326381.db2.gz TYHBXOBYEMDAHR-GJZGRUSLSA-N 1 3 346.450 2.024 10 30 EEEEHO C=CCC[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1Cc2ccccc2O1 ZINC000883176078 1202025945 /nfs/dbraw/zinc/02/59/45/1202025945.db2.gz VBIXYEYTBARRKO-WSTZPKSXSA-N 1 3 330.472 2.371 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319285716 1332675314 /nfs/dbraw/zinc/67/53/14/1332675314.db2.gz PHXZTEUTMJGZHL-QUCCMNQESA-N 1 3 341.499 2.254 10 30 EEEEHO CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001323733379 1333526575 /nfs/dbraw/zinc/52/65/75/1333526575.db2.gz HNVZYKFSPGLDAO-LJQANCHMSA-N 1 3 333.520 2.299 10 30 EEEEHO CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001323733379 1333526578 /nfs/dbraw/zinc/52/65/78/1333526578.db2.gz HNVZYKFSPGLDAO-LJQANCHMSA-N 1 3 333.520 2.299 10 30 EEEEHO CC#CCN1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001324974950 1333800416 /nfs/dbraw/zinc/80/04/16/1333800416.db2.gz CQXXVCDXMDCYMJ-AZUAARDMSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001326470224 1334099837 /nfs/dbraw/zinc/09/98/37/1334099837.db2.gz ZAUUISKNUNEAED-VQIMIIECSA-N 1 3 327.472 2.459 10 30 EEEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001326470224 1334099838 /nfs/dbraw/zinc/09/98/38/1334099838.db2.gz ZAUUISKNUNEAED-VQIMIIECSA-N 1 3 327.472 2.459 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328098612 1334395916 /nfs/dbraw/zinc/39/59/16/1334395916.db2.gz PDBJRPPIDPQCRW-QZTJIDSGSA-N 1 3 333.520 2.347 10 30 EEEEHO C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001331362687 1335002821 /nfs/dbraw/zinc/00/28/21/1335002821.db2.gz URCCJBSSHKJDKL-LJQANCHMSA-N 1 3 327.472 2.212 10 30 EEEEHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001333140380 1335969927 /nfs/dbraw/zinc/96/99/27/1335969927.db2.gz GLDMMIZYGFSIAA-UHFFFAOYSA-N 1 3 345.462 2.098 10 30 EEEEHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001566713779 1342611616 /nfs/dbraw/zinc/61/16/16/1342611616.db2.gz COCCNPAIAZWGFW-RTBURBONSA-N 1 3 345.462 2.002 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001570640421 1343096425 /nfs/dbraw/zinc/09/64/25/1343096425.db2.gz AIYKGXDDQFSMMH-HOTGVXAUSA-N 1 3 333.451 2.002 10 30 EEEEHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001570640421 1343096421 /nfs/dbraw/zinc/09/64/21/1343096421.db2.gz AIYKGXDDQFSMMH-HOTGVXAUSA-N 1 3 333.451 2.002 10 30 EEEEHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001570640420 1343096614 /nfs/dbraw/zinc/09/66/14/1343096614.db2.gz AIYKGXDDQFSMMH-CVEARBPZSA-N 1 3 333.451 2.002 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001570640420 1343096618 /nfs/dbraw/zinc/09/66/18/1343096618.db2.gz AIYKGXDDQFSMMH-CVEARBPZSA-N 1 3 333.451 2.002 10 30 EEEEHO C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)NCC#Cc1ccccc1 ZINC001571405400 1343205432 /nfs/dbraw/zinc/20/54/32/1343205432.db2.gz GAWBKOZNKBMGBF-SFHVURJKSA-N 1 3 343.515 2.453 10 30 EEEEHO C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)NCC#Cc1ccccc1 ZINC001571405400 1343205437 /nfs/dbraw/zinc/20/54/37/1343205437.db2.gz GAWBKOZNKBMGBF-SFHVURJKSA-N 1 3 343.515 2.453 10 30 EEEEHO C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)NCC#Cc1ccccc1 ZINC001571405399 1343205646 /nfs/dbraw/zinc/20/56/46/1343205646.db2.gz GAWBKOZNKBMGBF-GOSISDBHSA-N 1 3 343.515 2.453 10 30 EEEEHO C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)NCC#Cc1ccccc1 ZINC001571405399 1343205649 /nfs/dbraw/zinc/20/56/49/1343205649.db2.gz GAWBKOZNKBMGBF-GOSISDBHSA-N 1 3 343.515 2.453 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001676976298 1357253741 /nfs/dbraw/zinc/25/37/41/1357253741.db2.gz VNBQSSFJQADFPW-IEBWSBKVSA-N 1 3 331.504 2.006 10 30 EEEEHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001677049271 1357270612 /nfs/dbraw/zinc/27/06/12/1357270612.db2.gz XMXWJQDSWXWHRK-ZIAGYGMSSA-N 1 3 347.425 2.273 10 30 EEEEHO C=CCOCC[NH+]1CCC(N(C)C(=O)CN(C)CC(C)(C)C)CC1 ZINC001660787740 1354538532 /nfs/dbraw/zinc/53/85/32/1354538532.db2.gz SQYGKMGVSGQKOU-UHFFFAOYSA-N 1 3 339.524 2.090 10 30 EEEEHO CN(CC(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001669039027 1356074324 /nfs/dbraw/zinc/07/43/24/1356074324.db2.gz ISNKINMSAIZGLR-WAYWQWQTSA-N 1 3 342.487 2.298 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+]CCC2=CCCCC2)CC1 ZINC001669206961 1356124835 /nfs/dbraw/zinc/12/48/35/1356124835.db2.gz IKZYTNLJBHCAEB-SREVYHEPSA-N 1 3 343.515 2.484 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)CC2(C)C)CC1 ZINC000941238529 780226100 /nfs/dbraw/zinc/22/61/00/780226100.db2.gz YOIVNPFFSBJYJG-LJQANCHMSA-N 1 3 345.531 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCC3CC3)CC2(C)C)CC1 ZINC000941238529 780226109 /nfs/dbraw/zinc/22/61/09/780226109.db2.gz YOIVNPFFSBJYJG-LJQANCHMSA-N 1 3 345.531 2.348 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001566131341 1125584390 /nfs/dbraw/zinc/58/43/90/1125584390.db2.gz KPQZEEKFCSGRKI-KRWDZBQOSA-N 1 3 339.524 2.136 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001566131341 1125584396 /nfs/dbraw/zinc/58/43/96/1125584396.db2.gz KPQZEEKFCSGRKI-KRWDZBQOSA-N 1 3 339.524 2.136 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)Cc2ccccc2C)CC1 ZINC001566519925 1125692033 /nfs/dbraw/zinc/69/20/33/1125692033.db2.gz KNYPDLMSGPNWKG-UHFFFAOYSA-N 1 3 341.499 2.278 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)Cc2ccccc2C)CC1 ZINC001566519925 1125692037 /nfs/dbraw/zinc/69/20/37/1125692037.db2.gz KNYPDLMSGPNWKG-UHFFFAOYSA-N 1 3 341.499 2.278 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001439323748 1092000036 /nfs/dbraw/zinc/00/00/36/1092000036.db2.gz GIRSXMWMNMSJON-AYOQOUSVSA-N 1 3 342.487 2.225 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN(C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001439323748 1092000043 /nfs/dbraw/zinc/00/00/43/1092000043.db2.gz GIRSXMWMNMSJON-AYOQOUSVSA-N 1 3 342.487 2.225 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001441903448 1096066556 /nfs/dbraw/zinc/06/65/56/1096066556.db2.gz UESJFFAIJYXGHP-RTBURBONSA-N 1 3 342.487 2.273 10 30 EEEEHO CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)C1CCC1 ZINC001479594930 1098623964 /nfs/dbraw/zinc/62/39/64/1098623964.db2.gz GOCSPMJCNUBCKU-IEBWSBKVSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCC[N@H+]1CC[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001494081731 1103493174 /nfs/dbraw/zinc/49/31/74/1103493174.db2.gz BWQHUBCQZFWXDS-KRWDZBQOSA-N 1 3 327.472 2.213 10 30 EEEEHO C#CCC[N@@H+]1CC[C@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001494081731 1103493177 /nfs/dbraw/zinc/49/31/77/1103493177.db2.gz BWQHUBCQZFWXDS-KRWDZBQOSA-N 1 3 327.472 2.213 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001480597515 1106736268 /nfs/dbraw/zinc/73/62/68/1106736268.db2.gz QJLBTVPDKQQAQF-JKSUJKDBSA-N 1 3 345.462 2.326 10 30 EEEEHO CC#CCN1C[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001501226898 1113251694 /nfs/dbraw/zinc/25/16/94/1113251694.db2.gz ZFTXGNWGZJXFHP-HDICACEKSA-N 1 3 331.504 2.055 10 30 EEEEHO CC#CCN1C[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001501226898 1113251696 /nfs/dbraw/zinc/25/16/96/1113251696.db2.gz ZFTXGNWGZJXFHP-HDICACEKSA-N 1 3 331.504 2.055 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000594440867 468589332 /nfs/dbraw/zinc/58/93/32/468589332.db2.gz IUHPIHIUIBDACO-LJQANCHMSA-N 1 3 342.487 2.221 10 30 EEEEHO C[N@H+](CCCNC[C@@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000600717540 468631895 /nfs/dbraw/zinc/63/18/95/468631895.db2.gz MTNYUKZQGMYHEU-SFHVURJKSA-N 1 3 337.508 2.302 10 30 EEEEHO C[N@@H+](CCCNC[C@@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000600717540 468631898 /nfs/dbraw/zinc/63/18/98/468631898.db2.gz MTNYUKZQGMYHEU-SFHVURJKSA-N 1 3 337.508 2.302 10 30 EEEEHO CN(C)CCC[N@H+](C)CCNc1c(C#N)cnc2c(F)ccc(F)c21 ZINC000596424302 485612571 /nfs/dbraw/zinc/61/25/71/485612571.db2.gz HAIIWOUTKXSPTR-UHFFFAOYSA-N 1 3 347.413 2.102 10 30 EEEEHO CN(C)CCC[N@@H+](C)CCNc1c(C#N)cnc2c(F)ccc(F)c21 ZINC000596424302 485612576 /nfs/dbraw/zinc/61/25/76/485612576.db2.gz HAIIWOUTKXSPTR-UHFFFAOYSA-N 1 3 347.413 2.102 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]Cc2ccc(C)cc2)CC1 ZINC001481881395 1182864500 /nfs/dbraw/zinc/86/45/00/1182864500.db2.gz KCKVTBNBONYENS-HXUWFJFHSA-N 1 3 341.499 2.325 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481988991 1183093949 /nfs/dbraw/zinc/09/39/49/1183093949.db2.gz WLELPPFYKZKDIG-HOTGVXAUSA-N 1 3 327.900 2.299 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001481988991 1183093953 /nfs/dbraw/zinc/09/39/53/1183093953.db2.gz WLELPPFYKZKDIG-HOTGVXAUSA-N 1 3 327.900 2.299 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001268673488 1183600655 /nfs/dbraw/zinc/60/06/55/1183600655.db2.gz GNDXJWCUFXKXRE-SJORKVTESA-N 1 3 327.472 2.187 10 30 EEEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001482437383 1185715584 /nfs/dbraw/zinc/71/55/84/1185715584.db2.gz NTNCTEGOIWSQCC-QFBILLFUSA-N 1 3 327.472 2.212 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001483096198 1188470360 /nfs/dbraw/zinc/47/03/60/1188470360.db2.gz AGWMTGVHGFMYJV-ZEVQVBBLSA-N 1 3 339.483 2.355 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)N(C)C ZINC001272844345 1193573935 /nfs/dbraw/zinc/57/39/35/1193573935.db2.gz DEDGATXPHJHGLU-KDOFPFPSSA-N 1 3 348.466 2.268 10 30 EEEEHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCC#Cc1ccccc1Cl ZINC001485188099 1191685141 /nfs/dbraw/zinc/68/51/41/1191685141.db2.gz GYSUOECVJPXXIC-LSDHHAIUSA-N 1 3 335.879 2.126 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](CNCc2cc(F)ccc2C#N)C1 ZINC001486211066 1193751576 /nfs/dbraw/zinc/75/15/76/1193751576.db2.gz SJVGEUPWMSHJOH-RDTXWAMCSA-N 1 3 346.450 2.024 10 30 EEEEHO C=C(Cl)CNC[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001411215802 1198924685 /nfs/dbraw/zinc/92/46/85/1198924685.db2.gz WRGCEFPGUZWIQM-LSDHHAIUSA-N 1 3 327.900 2.201 10 30 EEEEHO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1N1CCN(CC)CC1 ZINC000876780417 1199770974 /nfs/dbraw/zinc/77/09/74/1199770974.db2.gz UYIKSNMZDQURKL-AWEZNQCLSA-N 1 3 336.867 2.237 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000876850005 1199795186 /nfs/dbraw/zinc/79/51/86/1199795186.db2.gz FJVYGUIQQRYRMI-OAHLLOKOSA-N 1 3 327.831 2.186 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000876850353 1199795377 /nfs/dbraw/zinc/79/53/77/1199795377.db2.gz PLUCUZYCANLDQP-OAHLLOKOSA-N 1 3 345.821 2.325 10 30 EEEEHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC#Cc1ccccc1Cl ZINC001274252471 1204977667 /nfs/dbraw/zinc/97/76/67/1204977667.db2.gz VKNUKLOINYHHPZ-MAUKXSAKSA-N 1 3 347.890 2.080 10 30 EEEEHO C=C(Br)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001672896032 1278405519 /nfs/dbraw/zinc/40/55/19/1278405519.db2.gz AFWYQRZEJKPFNO-UONOGXRCSA-N 1 3 346.313 2.063 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CC2CCCCC2)C2CC2)CC1 ZINC001490742816 1291657790 /nfs/dbraw/zinc/65/77/90/1291657790.db2.gz UXALNOWAFAGAFV-HXUWFJFHSA-N 1 3 345.531 2.396 10 30 EEEEHO C=C(C)C[NH+]1CCC2(CO[C@H](CNC(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001278101935 1305947384 /nfs/dbraw/zinc/94/73/84/1305947384.db2.gz LLJHRLCSVLNCGK-KRWDZBQOSA-N 1 3 349.519 2.034 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001120028257 1309288663 /nfs/dbraw/zinc/28/86/63/1309288663.db2.gz ZKTFOYCUSJAJHD-LNLFQRSKSA-N 1 3 348.535 2.399 10 30 EEEEHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C(F)(F)F ZINC001264594587 1322745561 /nfs/dbraw/zinc/74/55/61/1322745561.db2.gz NAUVGYUYEHFETH-TZMCWYRMSA-N 1 3 344.381 2.145 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)C2)CC1 ZINC001266079603 1323636373 /nfs/dbraw/zinc/63/63/73/1323636373.db2.gz RZCZPHMFZWTZKI-YCFODECYSA-N 1 3 337.895 2.101 10 30 EEEEHO CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001280198177 1324110345 /nfs/dbraw/zinc/11/03/45/1324110345.db2.gz OFTDBXXJTXOWML-QFBILLFUSA-N 1 3 337.483 2.050 10 30 EEEEHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001283051528 1325901301 /nfs/dbraw/zinc/90/13/01/1325901301.db2.gz ORGAUJLOJHAAQD-WGSAOQKQSA-N 1 3 339.483 2.007 10 30 EEEEHO C=C(Br)CNCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001283176065 1325944921 /nfs/dbraw/zinc/94/49/21/1325944921.db2.gz GJYWRTVKPDFNKO-MGPQQGTHSA-N 1 3 346.313 2.110 10 30 EEEEHO C=C(Br)CNCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283176065 1325944922 /nfs/dbraw/zinc/94/49/22/1325944922.db2.gz GJYWRTVKPDFNKO-MGPQQGTHSA-N 1 3 346.313 2.110 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2CCCF)CC1 ZINC001317436663 1332240379 /nfs/dbraw/zinc/24/03/79/1332240379.db2.gz XLNPCCBQXGGOAQ-GOSISDBHSA-N 1 3 337.483 2.052 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCCF)CC1 ZINC001317436663 1332240383 /nfs/dbraw/zinc/24/03/83/1332240383.db2.gz XLNPCCBQXGGOAQ-GOSISDBHSA-N 1 3 337.483 2.052 10 30 EEEEHO C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001318841809 1332608637 /nfs/dbraw/zinc/60/86/37/1332608637.db2.gz FQQPKCHOCIGJRX-OALUTQOASA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCC[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001319374306 1332692134 /nfs/dbraw/zinc/69/21/34/1332692134.db2.gz GGFFNJLADLWZFU-IBGZPJMESA-N 1 3 337.483 2.241 10 30 EEEEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)N(C)C ZINC001320607304 1332920225 /nfs/dbraw/zinc/92/02/25/1332920225.db2.gz IUPXKSYEXIDRGC-CXAGYDPISA-N 1 3 334.439 2.022 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001500292310 1342138918 /nfs/dbraw/zinc/13/89/18/1342138918.db2.gz IBTNOEWLAOMVAH-HCZHMGAMSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC/C=C\CC)C2)CC1 ZINC001500292310 1342138923 /nfs/dbraw/zinc/13/89/23/1342138923.db2.gz IBTNOEWLAOMVAH-HCZHMGAMSA-N 1 3 331.504 2.269 10 30 EEEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566877894 1342646108 /nfs/dbraw/zinc/64/61/08/1342646108.db2.gz ILAITIKKSKBELH-MAUKXSAKSA-N 1 3 325.472 2.213 10 30 EEEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566877894 1342646110 /nfs/dbraw/zinc/64/61/10/1342646110.db2.gz ILAITIKKSKBELH-MAUKXSAKSA-N 1 3 325.472 2.213 10 30 EEEEHO C[C@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567208617 1342711917 /nfs/dbraw/zinc/71/19/17/1342711917.db2.gz RTBDSKFICGDKNX-CRAIPNDOSA-N 1 3 347.890 2.270 10 30 EEEEHO C#C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC000820086503 785784618 /nfs/dbraw/zinc/78/46/18/785784618.db2.gz GHQWRIDBKGEKEX-YJBOKZPZSA-N 1 3 348.466 2.071 10 30 EEEEHO C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC000820086503 785784626 /nfs/dbraw/zinc/78/46/26/785784626.db2.gz GHQWRIDBKGEKEX-YJBOKZPZSA-N 1 3 348.466 2.071 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC001497331608 1102337761 /nfs/dbraw/zinc/33/77/61/1102337761.db2.gz MWGLXXZVSSHQBA-MRXNPFEDSA-N 1 3 345.462 2.155 10 30 EEEEHO CC[C@@H](CNC(=O)CC[N@H+](C)CC)NCC#Cc1ccc(F)cc1 ZINC001495083805 1104723105 /nfs/dbraw/zinc/72/31/05/1104723105.db2.gz JHRAUPPVPIUEOR-SFHVURJKSA-N 1 3 333.451 2.003 10 30 EEEEHO CC[C@@H](CNC(=O)CC[N@@H+](C)CC)NCC#Cc1ccc(F)cc1 ZINC001495083805 1104723111 /nfs/dbraw/zinc/72/31/11/1104723111.db2.gz JHRAUPPVPIUEOR-SFHVURJKSA-N 1 3 333.451 2.003 10 30 EEEEHO C=CCC[C@@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001506722361 1114832343 /nfs/dbraw/zinc/83/23/43/1114832343.db2.gz OSKMABXKKVXTBI-MJGOQNOKSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCC[C@@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001506722361 1114832347 /nfs/dbraw/zinc/83/23/47/1114832347.db2.gz OSKMABXKKVXTBI-MJGOQNOKSA-N 1 3 349.519 2.129 10 30 EEEEHO C[C@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001569030593 1125053185 /nfs/dbraw/zinc/05/31/85/1125053185.db2.gz WFCPBGQHPVJWFG-NVXWUHKLSA-N 1 3 347.890 2.128 10 30 EEEEHO C[C@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001569030593 1125053194 /nfs/dbraw/zinc/05/31/94/1125053194.db2.gz WFCPBGQHPVJWFG-NVXWUHKLSA-N 1 3 347.890 2.128 10 30 EEEEHO N#Cc1ccccc1OC[C@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000392910699 323551201 /nfs/dbraw/zinc/55/12/01/323551201.db2.gz FDXHMSVSSUBEDA-LJQANCHMSA-N 1 3 343.471 2.106 10 30 EEEEHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000595944695 469094455 /nfs/dbraw/zinc/09/44/55/469094455.db2.gz IVWLWQQQJNXXNM-RTBURBONSA-N 1 3 342.487 2.173 10 30 EEEEHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000595944695 469094461 /nfs/dbraw/zinc/09/44/61/469094461.db2.gz IVWLWQQQJNXXNM-RTBURBONSA-N 1 3 342.487 2.173 10 30 EEEEHO C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001485650438 1191870076 /nfs/dbraw/zinc/87/00/76/1191870076.db2.gz MDYQXGWYUUORNW-APWZRJJASA-N 1 3 345.487 2.143 10 30 EEEEHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691402254 1178011762 /nfs/dbraw/zinc/01/17/62/1178011762.db2.gz ITMXBKFKZIFQFB-CRAIPNDOSA-N 1 3 325.472 2.308 10 30 EEEEHO C=CCCN1CC[C@@H]1CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691402254 1178011770 /nfs/dbraw/zinc/01/17/70/1178011770.db2.gz ITMXBKFKZIFQFB-CRAIPNDOSA-N 1 3 325.472 2.308 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001267233353 1178560697 /nfs/dbraw/zinc/56/06/97/1178560697.db2.gz SKIMSTZBRMCWPI-HXUWFJFHSA-N 1 3 339.483 2.067 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC001267233353 1178560705 /nfs/dbraw/zinc/56/07/05/1178560705.db2.gz SKIMSTZBRMCWPI-HXUWFJFHSA-N 1 3 339.483 2.067 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001267390953 1178956549 /nfs/dbraw/zinc/95/65/49/1178956549.db2.gz XDCQEZSFIOIORO-RHSMWYFYSA-N 1 3 346.500 2.185 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001267390953 1178956554 /nfs/dbraw/zinc/95/65/54/1178956554.db2.gz XDCQEZSFIOIORO-RHSMWYFYSA-N 1 3 346.500 2.185 10 30 EEEEHO C=CCCC[NH2+]C/C=C\CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268591287 1183393249 /nfs/dbraw/zinc/39/32/49/1183393249.db2.gz PZCLETZPVHLTLP-GIFJBRJJSA-N 1 3 325.472 2.427 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)[C@@H](C)C1 ZINC001482439878 1185724936 /nfs/dbraw/zinc/72/49/36/1185724936.db2.gz WXMTXFIOWYSBRW-ICSRJNTNSA-N 1 3 341.499 2.205 10 30 EEEEHO CC(C)[C@H](CNC(=O)CC[NH+](C)C)NCC#Cc1ccccc1Cl ZINC001271894414 1186589369 /nfs/dbraw/zinc/58/93/69/1186589369.db2.gz VQFHVXIFHHTZPA-SFHVURJKSA-N 1 3 349.906 2.374 10 30 EEEEHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001484385412 1191325887 /nfs/dbraw/zinc/32/58/87/1191325887.db2.gz ZGIJWKZNZZNNIN-APWZRJJASA-N 1 3 342.487 2.083 10 30 EEEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CC(C)C)CCCCC2)CC1 ZINC001485459418 1191797681 /nfs/dbraw/zinc/79/76/81/1191797681.db2.gz QHDRKWSNFDHQCD-UHFFFAOYSA-N 1 3 333.520 2.396 10 30 EEEEHO C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001275459635 1205370701 /nfs/dbraw/zinc/37/07/01/1205370701.db2.gz HXPLOXAZRIMPEQ-QZTJIDSGSA-N 1 3 341.499 2.395 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001490281425 1291112139 /nfs/dbraw/zinc/11/21/39/1291112139.db2.gz JBNKDRGXMNGFGU-UHFFFAOYSA-N 1 3 333.520 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001490281425 1291112145 /nfs/dbraw/zinc/11/21/45/1291112145.db2.gz JBNKDRGXMNGFGU-UHFFFAOYSA-N 1 3 333.520 2.206 10 30 EEEEHO C[C@@H](NCC#Cc1ccccc1)[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001282220026 1325654820 /nfs/dbraw/zinc/65/48/20/1325654820.db2.gz NPEFUNIQMDUJOT-QZTJIDSGSA-N 1 3 329.488 2.253 10 30 EEEEHO C=CCOCCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001316933383 1331999415 /nfs/dbraw/zinc/99/94/15/1331999415.db2.gz JNCNZRJQKSKDLM-OALUTQOASA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCOCCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001316933383 1331999416 /nfs/dbraw/zinc/99/94/16/1331999416.db2.gz JNCNZRJQKSKDLM-OALUTQOASA-N 1 3 349.519 2.129 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC/C=C/CC)CC1 ZINC001317514111 1332276058 /nfs/dbraw/zinc/27/60/58/1332276058.db2.gz UCMSHMFOBPZYBU-ZMBJWTFHSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC/C=C/CC)CC1 ZINC001317514111 1332276057 /nfs/dbraw/zinc/27/60/57/1332276057.db2.gz UCMSHMFOBPZYBU-ZMBJWTFHSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001319867863 1332788737 /nfs/dbraw/zinc/78/87/37/1332788737.db2.gz HAUFOEKRCSMMJX-VQIMIIECSA-N 1 3 327.472 2.212 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCC(=C)C)CC1 ZINC001320185695 1332845229 /nfs/dbraw/zinc/84/52/29/1332845229.db2.gz RVGAFLOSIAOGLT-OALUTQOASA-N 1 3 331.504 2.172 10 30 EEEEHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)c1cccc(CN(C)C)c1 ZINC001329358991 1334633663 /nfs/dbraw/zinc/63/36/63/1334633663.db2.gz YCGZRIRSXRLKOR-UHFFFAOYSA-N 1 3 329.488 2.459 10 30 EEEEHO C=C(C)CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001671957831 1356443747 /nfs/dbraw/zinc/44/37/47/1356443747.db2.gz RHIKCXVOHHEATR-CALCHBBNSA-N 1 3 337.508 2.080 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC001674142530 1356797617 /nfs/dbraw/zinc/79/76/17/1356797617.db2.gz UEJGWKXHIDZRQE-IRXDYDNUSA-N 1 3 337.508 2.033 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC001674142530 1356797618 /nfs/dbraw/zinc/79/76/18/1356797618.db2.gz UEJGWKXHIDZRQE-IRXDYDNUSA-N 1 3 337.508 2.033 10 30 EEEEHO C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001675252791 1356951886 /nfs/dbraw/zinc/95/18/86/1356951886.db2.gz DXWHMQQJURMGAN-IRXDYDNUSA-N 1 3 325.472 2.050 10 30 EEEEHO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001675252791 1356951889 /nfs/dbraw/zinc/95/18/89/1356951889.db2.gz DXWHMQQJURMGAN-IRXDYDNUSA-N 1 3 325.472 2.050 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1cccc(C#N)c1 ZINC001440189225 1093252020 /nfs/dbraw/zinc/25/20/20/1093252020.db2.gz IOFZZNRWUOAICJ-OALUTQOASA-N 1 3 340.471 2.075 10 30 EEEEHO C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001479610220 1098633061 /nfs/dbraw/zinc/63/30/61/1098633061.db2.gz BYIDIZGCSOZBDG-YZGWKJHDSA-N 1 3 345.531 2.491 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001480492446 1100304434 /nfs/dbraw/zinc/30/44/34/1100304434.db2.gz KLPBFRHICBWKDV-YOEHRIQHSA-N 1 3 348.516 2.334 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001480492446 1100304440 /nfs/dbraw/zinc/30/44/40/1100304440.db2.gz KLPBFRHICBWKDV-YOEHRIQHSA-N 1 3 348.516 2.334 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001497843821 1103182362 /nfs/dbraw/zinc/18/23/62/1103182362.db2.gz ZQQSOQHDEIIGES-UYAOXDASSA-N 1 3 341.499 2.253 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001497843821 1103182365 /nfs/dbraw/zinc/18/23/65/1103182365.db2.gz ZQQSOQHDEIIGES-UYAOXDASSA-N 1 3 341.499 2.253 10 30 EEEEHO C=C(Cl)C[NH2+]CCC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001568087551 1124292003 /nfs/dbraw/zinc/29/20/03/1124292003.db2.gz GASAMQJOAYXZPY-UHFFFAOYSA-N 1 3 327.900 2.442 10 30 EEEEHO CC[C@@H](C(=O)N[C@H](C)CNCC#Cc1ccccc1)[NH+](CC)CC ZINC001569019209 1125046183 /nfs/dbraw/zinc/04/61/83/1125046183.db2.gz PFKNXRLZYPPJHT-MJGOQNOKSA-N 1 3 329.488 2.253 10 30 EEEEHO C[NH+]1CCC(N2CCC(Nc3cc(C#N)nc(C4CC4)n3)CC2)CC1 ZINC000601108372 449693321 /nfs/dbraw/zinc/69/33/21/449693321.db2.gz FNONHFPEWUTSLO-UHFFFAOYSA-N 1 3 340.475 2.196 10 30 EEEEHO C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CN1Cc1ccccc1 ZINC000594437798 468586839 /nfs/dbraw/zinc/58/68/39/468586839.db2.gz FNNSGMSLHPXLDZ-NXHRZFHOSA-N 1 3 328.460 2.177 10 30 EEEEHO N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000594446123 468591598 /nfs/dbraw/zinc/59/15/98/468591598.db2.gz PNSXKGDOTXTEHC-GJZGRUSLSA-N 1 3 334.489 2.412 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729203 468638105 /nfs/dbraw/zinc/63/81/05/468638105.db2.gz SMWCIYACNIWTKK-QZTJIDSGSA-N 1 3 337.508 2.015 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729203 468638109 /nfs/dbraw/zinc/63/81/09/468638109.db2.gz SMWCIYACNIWTKK-QZTJIDSGSA-N 1 3 337.508 2.015 10 30 EEEEHO CC(C)CN1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729203 468638115 /nfs/dbraw/zinc/63/81/15/468638115.db2.gz SMWCIYACNIWTKK-QZTJIDSGSA-N 1 3 337.508 2.015 10 30 EEEEHO COc1cc(CN2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1C#N ZINC000593323266 468938131 /nfs/dbraw/zinc/93/81/31/468938131.db2.gz SAAHAUORJUEMTD-YQVWRLOYSA-N 1 3 329.444 2.428 10 30 EEEEHO C[NH+](C)CCCCC(=O)NC[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001266544668 1176802660 /nfs/dbraw/zinc/80/26/60/1176802660.db2.gz FVZUZKSCWWRDAY-LJQANCHMSA-N 1 3 342.487 2.228 10 30 EEEEHO CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001266808027 1177464291 /nfs/dbraw/zinc/46/42/91/1177464291.db2.gz XCHSIWDYICPNFO-UXHICEINSA-N 1 3 341.499 2.207 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]Cc2ccc(F)cc2)CC1 ZINC001481882629 1182869198 /nfs/dbraw/zinc/86/91/98/1182869198.db2.gz TUHSQSILGKGGEL-IBGZPJMESA-N 1 3 345.462 2.155 10 30 EEEEHO CCCN(C)CC(=O)NC1(C[NH2+]CC#Cc2ccccc2)CCCC1 ZINC001481911905 1182935012 /nfs/dbraw/zinc/93/50/12/1182935012.db2.gz OQXOQEPQNIOFFO-UHFFFAOYSA-N 1 3 341.499 2.399 10 30 EEEEHO C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN(C)C(C)C ZINC001269580268 1184407747 /nfs/dbraw/zinc/40/77/47/1184407747.db2.gz UULOVNIPMSCBEN-AYHJJNSGSA-N 1 3 337.508 2.031 10 30 EEEEHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001280272706 1185312911 /nfs/dbraw/zinc/31/29/11/1185312911.db2.gz AOFRJYDDQFDBRN-HNNXBMFYSA-N 1 3 348.516 2.290 10 30 EEEEHO CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001482437382 1185715449 /nfs/dbraw/zinc/71/54/49/1185715449.db2.gz NTNCTEGOIWSQCC-LPHOPBHVSA-N 1 3 327.472 2.212 10 30 EEEEHO C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001409406292 1189634440 /nfs/dbraw/zinc/63/44/40/1189634440.db2.gz LRKHWCBNJFMHMW-ZIAGYGMSSA-N 1 3 346.450 2.022 10 30 EEEEHO CC[N@H+](C)CCC(=O)N1CCC(C)(NCc2ccccc2C#N)CC1 ZINC001484926843 1191573595 /nfs/dbraw/zinc/57/35/95/1191573595.db2.gz YIILOJSZDZFAPR-UHFFFAOYSA-N 1 3 342.487 2.371 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N1CCC(C)(NCc2ccccc2C#N)CC1 ZINC001484926843 1191573596 /nfs/dbraw/zinc/57/35/96/1191573596.db2.gz YIILOJSZDZFAPR-UHFFFAOYSA-N 1 3 342.487 2.371 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000876782946 1199772546 /nfs/dbraw/zinc/77/25/46/1199772546.db2.gz XAOQXPICEZTGBN-MRXNPFEDSA-N 1 3 336.867 2.237 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000876782946 1199772551 /nfs/dbraw/zinc/77/25/51/1199772551.db2.gz XAOQXPICEZTGBN-MRXNPFEDSA-N 1 3 336.867 2.237 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000876848432 1199794308 /nfs/dbraw/zinc/79/43/08/1199794308.db2.gz QTHVUIPBLVHRKJ-OAHLLOKOSA-N 1 3 327.831 2.186 10 30 EEEEHO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)NCC#Cc1ccccc1 ZINC001275459637 1205370697 /nfs/dbraw/zinc/37/06/97/1205370697.db2.gz HXPLOXAZRIMPEQ-ZWKOTPCHSA-N 1 3 341.499 2.395 10 30 EEEEHO C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001275479937 1205378589 /nfs/dbraw/zinc/37/85/89/1205378589.db2.gz DONLAYPRUSGINX-HUUCEWRRSA-N 1 3 335.879 2.126 10 30 EEEEHO C#CCN1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001278607069 1317347597 /nfs/dbraw/zinc/34/75/97/1317347597.db2.gz CLYLXPBLUBEOQC-GOSISDBHSA-N 1 3 345.531 2.493 10 30 EEEEHO C#CCN1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001278607069 1317347606 /nfs/dbraw/zinc/34/76/06/1317347606.db2.gz CLYLXPBLUBEOQC-GOSISDBHSA-N 1 3 345.531 2.493 10 30 EEEEHO C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265526361 1323204758 /nfs/dbraw/zinc/20/47/58/1323204758.db2.gz YVMCAWQTLRLRIK-OALUTQOASA-N 1 3 331.504 2.199 10 30 EEEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266235157 1323819392 /nfs/dbraw/zinc/81/93/92/1323819392.db2.gz SAEBQZILFZQAJH-ZBFHGGJFSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266235157 1323819395 /nfs/dbraw/zinc/81/93/95/1323819395.db2.gz SAEBQZILFZQAJH-ZBFHGGJFSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001282880037 1325820251 /nfs/dbraw/zinc/82/02/51/1325820251.db2.gz ZULOTXJLWFFCPM-GGXPGOJBSA-N 1 3 337.483 2.069 10 30 EEEEHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001282880037 1325820255 /nfs/dbraw/zinc/82/02/55/1325820255.db2.gz ZULOTXJLWFFCPM-GGXPGOJBSA-N 1 3 337.483 2.069 10 30 EEEEHO CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001316664221 1330064500 /nfs/dbraw/zinc/06/45/00/1330064500.db2.gz MNCPHRXQASOKCF-XUVXKRRUSA-N 1 3 341.499 2.253 10 30 EEEEHO CC[N@H+](C)CCC(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001319386068 1332693260 /nfs/dbraw/zinc/69/32/60/1332693260.db2.gz VEVMGRLRAZJRJT-UHFFFAOYSA-N 1 3 341.499 2.399 10 30 EEEEHO CC[N@@H+](C)CCC(=O)NCC1(NCC#Cc2ccccc2)CCCC1 ZINC001319386068 1332693263 /nfs/dbraw/zinc/69/32/63/1332693263.db2.gz VEVMGRLRAZJRJT-UHFFFAOYSA-N 1 3 341.499 2.399 10 30 EEEEHO N#Cc1cccc(CNC/C=C\CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001321416919 1333098734 /nfs/dbraw/zinc/09/87/34/1333098734.db2.gz MDDPMNCUDMPCPE-IHWYPQMZSA-N 1 3 340.471 2.196 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H]([NH2+]CC2CC(C)C2)C(C)C)CC1 ZINC001676179872 1357115894 /nfs/dbraw/zinc/11/58/94/1357115894.db2.gz BGEHLVUUBIERJV-AFMYVXGZSA-N 1 3 347.547 2.498 10 30 EEEEHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001675343067 1356967672 /nfs/dbraw/zinc/96/76/72/1356967672.db2.gz JDFZGKIIGLRZMW-RDTXWAMCSA-N 1 3 325.472 2.212 10 30 EEEEHO C=C(C)CN1CC([C@@H](C)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001675343067 1356967674 /nfs/dbraw/zinc/96/76/74/1356967674.db2.gz JDFZGKIIGLRZMW-RDTXWAMCSA-N 1 3 325.472 2.212 10 30 EEEEHO C#CCN(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCN(C)CC1 ZINC000914078577 794839362 /nfs/dbraw/zinc/83/93/62/794839362.db2.gz FIXFIVYPDLINIU-HDICACEKSA-N 1 3 348.535 2.093 10 30 EEEEHO C#CCN(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCN(C)CC1 ZINC000914078577 794839365 /nfs/dbraw/zinc/83/93/65/794839365.db2.gz FIXFIVYPDLINIU-HDICACEKSA-N 1 3 348.535 2.093 10 30 EEEEHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001437419522 1089701011 /nfs/dbraw/zinc/70/10/11/1089701011.db2.gz UCRZNDHXYTZHGV-DYVFJYSZSA-N 1 3 334.439 2.022 10 30 EEEEHO CC(C)N1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001445446396 1091208414 /nfs/dbraw/zinc/20/84/14/1091208414.db2.gz MBVPHBFNDYADAT-APWZRJJASA-N 1 3 342.487 2.415 10 30 EEEEHO C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001439226079 1091871360 /nfs/dbraw/zinc/87/13/60/1091871360.db2.gz YZBCCZWWVOUOSU-KBPBESRZSA-N 1 3 334.489 2.088 10 30 EEEEHO C[C@@H](CNCc1ccc(C#N)s1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001439226079 1091871368 /nfs/dbraw/zinc/87/13/68/1091871368.db2.gz YZBCCZWWVOUOSU-KBPBESRZSA-N 1 3 334.489 2.088 10 30 EEEEHO C=C(Br)CN[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001440656891 1093928612 /nfs/dbraw/zinc/92/86/12/1093928612.db2.gz WYQXRGCUWJBFPP-MELADBBJSA-N 1 3 346.313 2.110 10 30 EEEEHO C=C(Br)CN[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001440656891 1093928608 /nfs/dbraw/zinc/92/86/08/1093928608.db2.gz WYQXRGCUWJBFPP-MELADBBJSA-N 1 3 346.313 2.110 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440928408 1094181537 /nfs/dbraw/zinc/18/15/37/1094181537.db2.gz JIZJYDZDQSUBMZ-VQIMIIECSA-N 1 3 342.487 2.369 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440928408 1094181539 /nfs/dbraw/zinc/18/15/39/1094181539.db2.gz JIZJYDZDQSUBMZ-VQIMIIECSA-N 1 3 342.487 2.369 10 30 EEEEHO C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NCc1ccc(C#N)s1 ZINC001441584824 1095399770 /nfs/dbraw/zinc/39/97/70/1095399770.db2.gz KOBATGLPHGYKIS-AWEZNQCLSA-N 1 3 348.516 2.431 10 30 EEEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1CC ZINC001498888923 1108281157 /nfs/dbraw/zinc/28/11/57/1108281157.db2.gz ILOFPGNVXZMJTQ-ZWKOTPCHSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C(C)C)N(C)C ZINC001501669028 1113425306 /nfs/dbraw/zinc/42/53/06/1113425306.db2.gz YDCZGRBGIBRGDM-IBGZPJMESA-N 1 3 329.488 2.344 10 30 EEEEHO C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C(C)C)N(C)C ZINC001501669028 1113425309 /nfs/dbraw/zinc/42/53/09/1113425309.db2.gz YDCZGRBGIBRGDM-IBGZPJMESA-N 1 3 329.488 2.344 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001502985902 1113866844 /nfs/dbraw/zinc/86/68/44/1113866844.db2.gz IQLMPBYKRDCFFQ-IAGOWNOFSA-N 1 3 339.524 2.136 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001502985902 1113866846 /nfs/dbraw/zinc/86/68/46/1113866846.db2.gz IQLMPBYKRDCFFQ-IAGOWNOFSA-N 1 3 339.524 2.136 10 30 EEEEHO C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001506548510 1114690607 /nfs/dbraw/zinc/69/06/07/1114690607.db2.gz JKPNVRJBDXXOQC-CRAIPNDOSA-N 1 3 325.472 2.097 10 30 EEEEHO C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CCC)C[C@@H]21 ZINC001507363536 1115223877 /nfs/dbraw/zinc/22/38/77/1115223877.db2.gz LXTOHTDLCLUUTC-HRCADAONSA-N 1 3 327.900 2.297 10 30 EEEEHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001569258724 1125200252 /nfs/dbraw/zinc/20/02/52/1125200252.db2.gz GNTURGOBHYXTKP-SFHVURJKSA-N 1 3 330.476 2.083 10 30 EEEEHO C[NH+](C)CC1CCC(NC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000348343835 465559180 /nfs/dbraw/zinc/55/91/80/465559180.db2.gz ASVXRHAOLOGHHU-XBMUEBEBSA-N 1 3 338.455 2.477 10 30 EEEEHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)CC2)CC1 ZINC000601817066 469038860 /nfs/dbraw/zinc/03/88/60/469038860.db2.gz LPCQKKSUZRYGKZ-IEBWSBKVSA-N 1 3 346.519 2.333 10 30 EEEEHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(CC)[C@H]1CCN(C)C1)C(C)C ZINC000663669286 471466308 /nfs/dbraw/zinc/46/63/08/471466308.db2.gz WFFLKXBIBFNMEC-ROUUACIJSA-N 1 3 336.524 2.421 10 30 EEEEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481817090 1182734789 /nfs/dbraw/zinc/73/47/89/1182734789.db2.gz SMIQXCZGIVTQRQ-RBUKOAKNSA-N 1 3 342.487 2.417 10 30 EEEEHO CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1)N(C)C ZINC001482020269 1183145321 /nfs/dbraw/zinc/14/53/21/1183145321.db2.gz AJCWVPBWXVFWHQ-UFYCRDLUSA-N 1 3 341.499 2.395 10 30 EEEEHO C=CCCC[NH2+]C/C=C/CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268591286 1183392205 /nfs/dbraw/zinc/39/22/05/1183392205.db2.gz PZCLETZPVHLTLP-GFOMBABLSA-N 1 3 325.472 2.427 10 30 EEEEHO CC[N@H+](C)CCC(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001271914582 1186617885 /nfs/dbraw/zinc/61/78/85/1186617885.db2.gz CCSREXYDJJNTEH-IBGZPJMESA-N 1 3 329.488 2.110 10 30 EEEEHO CC[N@@H+](C)CCC(=O)NC[C@H](NCC#Cc1ccccc1)C(C)C ZINC001271914582 1186617890 /nfs/dbraw/zinc/61/78/90/1186617890.db2.gz CCSREXYDJJNTEH-IBGZPJMESA-N 1 3 329.488 2.110 10 30 EEEEHO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001484470593 1191375019 /nfs/dbraw/zinc/37/50/19/1191375019.db2.gz KSLDMIOTCQNGDW-YESZJQIVSA-N 1 3 325.472 2.165 10 30 EEEEHO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](F)CN(CC)CC)[C@@H]2C1 ZINC001484470593 1191375020 /nfs/dbraw/zinc/37/50/20/1191375020.db2.gz KSLDMIOTCQNGDW-YESZJQIVSA-N 1 3 325.472 2.165 10 30 EEEEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485156292 1191668277 /nfs/dbraw/zinc/66/82/77/1191668277.db2.gz GITVHTGCXKKYQF-UONOGXRCSA-N 1 3 346.450 2.164 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)CN1CCC(C)CC1 ZINC001273090113 1194377500 /nfs/dbraw/zinc/37/75/00/1194377500.db2.gz IAOLLDKCTGLWOM-KRWDZBQOSA-N 1 3 342.487 2.275 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@H](C)CCNCc1ccccc1C#N)[NH+](C)C ZINC001273130759 1194414559 /nfs/dbraw/zinc/41/45/59/1194414559.db2.gz DOVUSEFZQVGLAI-CRAIPNDOSA-N 1 3 330.476 2.129 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CCC2CCCC2)CC1 ZINC001273203078 1197507925 /nfs/dbraw/zinc/50/79/25/1197507925.db2.gz GSCHMCWMGUEUOC-KRWDZBQOSA-N 1 3 333.520 2.396 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CNCC#Cc1ccc(F)cc1 ZINC001491261341 1258860009 /nfs/dbraw/zinc/86/00/09/1258860009.db2.gz QOFZOONOLYACDH-LJQANCHMSA-N 1 3 345.462 2.100 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(F)c1 ZINC001279722928 1323986152 /nfs/dbraw/zinc/98/61/52/1323986152.db2.gz PLASHXACQDVFPL-GASCZTMLSA-N 1 3 331.435 2.038 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(F)c1 ZINC001279722928 1323986155 /nfs/dbraw/zinc/98/61/55/1323986155.db2.gz PLASHXACQDVFPL-GASCZTMLSA-N 1 3 331.435 2.038 10 30 EEEEHO C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN1CC[C@@H](C)C1 ZINC001281912601 1325507130 /nfs/dbraw/zinc/50/71/30/1325507130.db2.gz PDEOJMGRHGOCAA-XFQXTVEOSA-N 1 3 327.472 2.276 10 30 EEEEHO C#CCN1C[C@]2(C)CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@]2(C)C1 ZINC001282992449 1325871374 /nfs/dbraw/zinc/87/13/74/1325871374.db2.gz JXBBFAFNPBIYBS-BGYRXZFFSA-N 1 3 345.531 2.302 10 30 EEEEHO C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001319867861 1332788980 /nfs/dbraw/zinc/78/89/80/1332788980.db2.gz HAUFOEKRCSMMJX-QFBILLFUSA-N 1 3 327.472 2.212 10 30 EEEEHO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CCCN(C)C1)C(C)C ZINC001675964490 1357078668 /nfs/dbraw/zinc/07/86/68/1357078668.db2.gz QBUMPRNEMIFAOU-QZTJIDSGSA-N 1 3 336.524 2.421 10 30 EEEEHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC#Cc1ccc(Cl)cc1 ZINC001676480450 1357155546 /nfs/dbraw/zinc/15/55/46/1357155546.db2.gz BNPVHVIWPZCEQE-RDJZCZTQSA-N 1 3 347.890 2.080 10 30 EEEEHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC#Cc1ccc(Cl)cc1 ZINC001676480450 1357155548 /nfs/dbraw/zinc/15/55/48/1357155548.db2.gz BNPVHVIWPZCEQE-RDJZCZTQSA-N 1 3 347.890 2.080 10 30 EEEEHO C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001656571859 1354249047 /nfs/dbraw/zinc/24/90/47/1354249047.db2.gz VZEWMYYCZDEPHA-GJYPPUQNSA-N 1 3 337.483 2.049 10 30 EEEEHO C=C(Br)CNCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001668066170 1355861479 /nfs/dbraw/zinc/86/14/79/1355861479.db2.gz VLCTUNQFSYMGSZ-MELADBBJSA-N 1 3 346.313 2.110 10 30 EEEEHO C=C(Br)CNCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001668066170 1355861485 /nfs/dbraw/zinc/86/14/85/1355861485.db2.gz VLCTUNQFSYMGSZ-MELADBBJSA-N 1 3 346.313 2.110 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001668455314 1355944845 /nfs/dbraw/zinc/94/48/45/1355944845.db2.gz JIUZFVJMQOYVPG-HNNXBMFYSA-N 1 3 348.516 2.432 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001668455314 1355944847 /nfs/dbraw/zinc/94/48/47/1355944847.db2.gz JIUZFVJMQOYVPG-HNNXBMFYSA-N 1 3 348.516 2.432 10 30 EEEEHO CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)CN(C)C1CCC1 ZINC001670127373 1356281117 /nfs/dbraw/zinc/28/11/17/1356281117.db2.gz BRYRKLAAEHXCAB-UHFFFAOYSA-N 1 3 334.489 2.042 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001672392021 1356513903 /nfs/dbraw/zinc/51/39/03/1356513903.db2.gz HAPGMEVRFUPUEH-UXHICEINSA-N 1 3 339.483 2.255 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001672392021 1356513905 /nfs/dbraw/zinc/51/39/05/1356513905.db2.gz HAPGMEVRFUPUEH-UXHICEINSA-N 1 3 339.483 2.255 10 30 EEEEHO C#CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1CCN(C)CC1 ZINC000919143377 769637004 /nfs/dbraw/zinc/63/70/04/769637004.db2.gz HXKGXSUKCHIRLG-KRWDZBQOSA-N 1 3 336.524 2.092 10 30 EEEEHO C#CCN(C)CCCNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000922627240 801543343 /nfs/dbraw/zinc/54/33/43/801543343.db2.gz KXLBAEQANMSZAK-UHFFFAOYSA-N 1 3 334.508 2.038 10 30 EEEEHO C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@@H]21 ZINC001479615921 1098640768 /nfs/dbraw/zinc/64/07/68/1098640768.db2.gz YXGHFUPOYFWZSK-BHIYHBOVSA-N 1 3 331.504 2.099 10 30 EEEEHO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@@H]21 ZINC001479615921 1098640772 /nfs/dbraw/zinc/64/07/72/1098640772.db2.gz YXGHFUPOYFWZSK-BHIYHBOVSA-N 1 3 331.504 2.099 10 30 EEEEHO C=C(Br)C[NH2+]C1(C)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001447570900 1102885465 /nfs/dbraw/zinc/88/54/65/1102885465.db2.gz QPZUVLIOUXMYHI-UHFFFAOYSA-N 1 3 346.313 2.206 10 30 EEEEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001447883355 1103512493 /nfs/dbraw/zinc/51/24/93/1103512493.db2.gz JZVMLHPKZLPPOT-JKSUJKDBSA-N 1 3 342.487 2.415 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2ccccc2C)CC1 ZINC001498197901 1107068306 /nfs/dbraw/zinc/06/83/06/1107068306.db2.gz ZRUYKASBOJUCED-ZWKOTPCHSA-N 1 3 341.499 2.496 10 30 EEEEHO C#CCC[NH+]1CCC(C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001499997930 1112571729 /nfs/dbraw/zinc/57/17/29/1112571729.db2.gz XLJBLCZJFURCHX-LJQANCHMSA-N 1 3 337.483 2.193 10 30 EEEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CCO1 ZINC001502079858 1113580068 /nfs/dbraw/zinc/58/00/68/1113580068.db2.gz YJWLRTADYAUYTO-ROUUACIJSA-N 1 3 337.508 2.034 10 30 EEEEHO OCC[C@@H]1CCCCCN1CC#CC[N@@H+]1CCCCC[C@H]1CCO ZINC000342055042 539830672 /nfs/dbraw/zinc/83/06/72/539830672.db2.gz YEPOSCIYXGKHRD-PMACEKPBSA-N 1 3 336.520 2.244 10 30 EEEEHO OCC[C@@H]1CCCCCN1CC#CC[N@H+]1CCCCC[C@H]1CCO ZINC000342055042 539830676 /nfs/dbraw/zinc/83/06/76/539830676.db2.gz YEPOSCIYXGKHRD-PMACEKPBSA-N 1 3 336.520 2.244 10 30 EEEEHO CC[NH+]1CCC(N2CCC(C(=O)NCC3(C#N)CCCC3)CC2)CC1 ZINC000594375866 468566557 /nfs/dbraw/zinc/56/65/57/468566557.db2.gz JIFOKHPHAKCYEW-UHFFFAOYSA-N 1 3 346.519 2.383 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000594444379 468590459 /nfs/dbraw/zinc/59/04/59/468590459.db2.gz QCUXLHGASAXIOT-JQHSSLGASA-N 1 3 346.450 2.046 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000597943137 468720377 /nfs/dbraw/zinc/72/03/77/468720377.db2.gz VHRRQSUOAXXMFU-ZYSHUDEJSA-N 1 3 342.487 2.050 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000597943137 468720378 /nfs/dbraw/zinc/72/03/78/468720378.db2.gz VHRRQSUOAXXMFU-ZYSHUDEJSA-N 1 3 342.487 2.050 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CSc1ccc(C#N)cc1 ZINC000597942750 468720443 /nfs/dbraw/zinc/72/04/43/468720443.db2.gz MXKOLUJBUQVMFU-HNNXBMFYSA-N 1 3 348.516 2.039 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CSc1ccc(C#N)cc1 ZINC000597942750 468720446 /nfs/dbraw/zinc/72/04/46/468720446.db2.gz MXKOLUJBUQVMFU-HNNXBMFYSA-N 1 3 348.516 2.039 10 30 EEEEHO CC[NH+]1CCC(N2CCC(C(=O)N(C[C@H](C)C#N)C3CC3)CC2)CC1 ZINC000563638040 469243686 /nfs/dbraw/zinc/24/36/86/469243686.db2.gz RWXIIWJTYCBFPO-MRXNPFEDSA-N 1 3 346.519 2.333 10 30 EEEEHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)C(C)C ZINC000173927435 527648460 /nfs/dbraw/zinc/64/84/60/527648460.db2.gz LKWZPHAYUADPRN-RBUKOAKNSA-N 1 3 346.519 2.341 10 30 EEEEHO C#CC[NH2+]CCCCCCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001692161507 1178008628 /nfs/dbraw/zinc/00/86/28/1178008628.db2.gz IIXGOCQRXISFAD-LJQANCHMSA-N 1 3 339.499 2.441 10 30 EEEEHO C[NH+](C)CCCC(=O)NCC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001267570794 1179425433 /nfs/dbraw/zinc/42/54/33/1179425433.db2.gz SKXZNQNRMWOUCY-FQEVSTJZSA-N 1 3 341.499 2.208 10 30 EEEEHO CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001268295233 1182186274 /nfs/dbraw/zinc/18/62/74/1182186274.db2.gz QVGJQKCJRQLTAC-RBUKOAKNSA-N 1 3 327.472 2.260 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001483226751 1189478972 /nfs/dbraw/zinc/47/89/72/1189478972.db2.gz HYEFHUKMZPWXCW-XJKSGUPXSA-N 1 3 334.489 2.087 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001483226751 1189478974 /nfs/dbraw/zinc/47/89/74/1189478974.db2.gz HYEFHUKMZPWXCW-XJKSGUPXSA-N 1 3 334.489 2.087 10 30 EEEEHO C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)C2 ZINC001484391009 1191325518 /nfs/dbraw/zinc/32/55/18/1191325518.db2.gz HHQBUQRMJKPLEZ-IEWDOMPSSA-N 1 3 331.504 2.242 10 30 EEEEHO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@H]1C)C2 ZINC001484391009 1191325519 /nfs/dbraw/zinc/32/55/19/1191325519.db2.gz HHQBUQRMJKPLEZ-IEWDOMPSSA-N 1 3 331.504 2.242 10 30 EEEEHO C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001273019249 1194326092 /nfs/dbraw/zinc/32/60/92/1194326092.db2.gz TYHBXOBYEMDAHR-LSDHHAIUSA-N 1 3 346.450 2.024 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000876741328 1199750922 /nfs/dbraw/zinc/75/09/22/1199750922.db2.gz QMUWJAXZAMDKPY-DLBZAZTESA-N 1 3 335.879 2.137 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000876741328 1199750924 /nfs/dbraw/zinc/75/09/24/1199750924.db2.gz QMUWJAXZAMDKPY-DLBZAZTESA-N 1 3 335.879 2.137 10 30 EEEEHO CN1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC#Cc2ccccc2)CC1 ZINC001274363368 1205008696 /nfs/dbraw/zinc/00/86/96/1205008696.db2.gz LZVJGWJVCYVUAS-LJQANCHMSA-N 1 3 339.483 2.103 10 30 EEEEHO C[C@@H](NCC1CC[NH+](C2CCOCC2)CC1)c1cc(C#N)ccn1 ZINC000903047448 1239614987 /nfs/dbraw/zinc/61/49/87/1239614987.db2.gz OFOQJDGXAJZVSE-OAHLLOKOSA-N 1 3 328.460 2.495 10 30 EEEEHO CCN(CC[NH2+]Cc1ccc(F)c(C#N)c1)C(=O)[C@@H]1CCCCN1C ZINC001273555061 1279789762 /nfs/dbraw/zinc/78/97/62/1279789762.db2.gz VDERRFVQNTWHKP-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO C=CCOCCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001489270827 1290498245 /nfs/dbraw/zinc/49/82/45/1290498245.db2.gz CMNDELRAHBVAEB-NEWSRXKRSA-N 1 3 349.519 2.175 10 30 EEEEHO C=CCOCCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001489270827 1290498250 /nfs/dbraw/zinc/49/82/50/1290498250.db2.gz CMNDELRAHBVAEB-NEWSRXKRSA-N 1 3 349.519 2.175 10 30 EEEEHO C#CC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1 ZINC000853909459 1292522362 /nfs/dbraw/zinc/52/23/62/1292522362.db2.gz CKJZOEAHRUPXJV-PKOBYXMFSA-N 1 3 344.503 2.322 10 30 EEEEHO C#CC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1 ZINC000853909459 1292522366 /nfs/dbraw/zinc/52/23/66/1292522366.db2.gz CKJZOEAHRUPXJV-PKOBYXMFSA-N 1 3 344.503 2.322 10 30 EEEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266241899 1323830653 /nfs/dbraw/zinc/83/06/53/1323830653.db2.gz VVDDNSDPVZIRGL-HOTGVXAUSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266241899 1323830658 /nfs/dbraw/zinc/83/06/58/1323830658.db2.gz VVDDNSDPVZIRGL-HOTGVXAUSA-N 1 3 327.900 2.442 10 30 EEEEHO C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001279231303 1323854064 /nfs/dbraw/zinc/85/40/64/1323854064.db2.gz YYTNUNZNFKRNBQ-BCDXTJNWSA-N 1 3 331.504 2.243 10 30 EEEEHO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCC1)C2 ZINC001279231303 1323854069 /nfs/dbraw/zinc/85/40/69/1323854069.db2.gz YYTNUNZNFKRNBQ-BCDXTJNWSA-N 1 3 331.504 2.243 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@H]1C ZINC001283925106 1326322481 /nfs/dbraw/zinc/32/24/81/1326322481.db2.gz BZWLZIDWVSDLRK-UYAOXDASSA-N 1 3 341.499 2.349 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@H]1C ZINC001283925106 1326322487 /nfs/dbraw/zinc/32/24/87/1326322487.db2.gz BZWLZIDWVSDLRK-UYAOXDASSA-N 1 3 341.499 2.349 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC/C=C/CC)CC1 ZINC001317514109 1332276391 /nfs/dbraw/zinc/27/63/91/1332276391.db2.gz UCMSHMFOBPZYBU-UEKDZROGSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC/C=C/CC)CC1 ZINC001317514109 1332276397 /nfs/dbraw/zinc/27/63/97/1332276397.db2.gz UCMSHMFOBPZYBU-UEKDZROGSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC001319005320 1332635523 /nfs/dbraw/zinc/63/55/23/1332635523.db2.gz AZHBLWZAIHVRDN-UHFFFAOYSA-N 1 3 335.451 2.401 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCC(=C)C)CC1 ZINC001320185699 1332845325 /nfs/dbraw/zinc/84/53/25/1332845325.db2.gz RVGAFLOSIAOGLT-RTBURBONSA-N 1 3 331.504 2.172 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001320612550 1332920708 /nfs/dbraw/zinc/92/07/08/1332920708.db2.gz BVJYFKRHQZBPCQ-BBRMVZONSA-N 1 3 336.505 2.190 10 30 EEEEHO C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001325655625 1333933986 /nfs/dbraw/zinc/93/39/86/1333933986.db2.gz HEYWYYPGGIBANC-FHWLQOOXSA-N 1 3 333.520 2.395 10 30 EEEEHO C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NCC#Cc1ccccc1 ZINC001676433498 1357150031 /nfs/dbraw/zinc/15/00/31/1357150031.db2.gz CCNXEQJYYNVRSH-GOSISDBHSA-N 1 3 341.499 2.207 10 30 EEEEHO CC#CC[NH2+]CCc1ccc(CNC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001662813726 1354852199 /nfs/dbraw/zinc/85/21/99/1354852199.db2.gz GHAHTRMQKIGWHX-LJQANCHMSA-N 1 3 329.488 2.044 10 30 EEEEHO C[C@@H](CNCC#Cc1cccc(Cl)c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001669664094 1356191119 /nfs/dbraw/zinc/19/11/19/1356191119.db2.gz CKKDTGDHUWQBQV-CVEARBPZSA-N 1 3 347.890 2.128 10 30 EEEEHO C[C@@H](CNCC#Cc1cccc(Cl)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001669664094 1356191124 /nfs/dbraw/zinc/19/11/24/1356191124.db2.gz CKKDTGDHUWQBQV-CVEARBPZSA-N 1 3 347.890 2.128 10 30 EEEEHO C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001675707640 1357041495 /nfs/dbraw/zinc/04/14/95/1357041495.db2.gz LSPIUQYZJHWNNM-QZTJIDSGSA-N 1 3 349.519 2.034 10 30 EEEEHO C#CCN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)C1CCN(C)CC1 ZINC000914099939 794873470 /nfs/dbraw/zinc/87/34/70/794873470.db2.gz NUJLVFVBPGRJGI-SFHVURJKSA-N 1 3 348.535 2.238 10 30 EEEEHO C#CCN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)C1CCN(C)CC1 ZINC000914099939 794873474 /nfs/dbraw/zinc/87/34/74/794873474.db2.gz NUJLVFVBPGRJGI-SFHVURJKSA-N 1 3 348.535 2.238 10 30 EEEEHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001440796691 1094038586 /nfs/dbraw/zinc/03/85/86/1094038586.db2.gz KZCPZVOOYMYEPA-STQMWFEESA-N 1 3 334.489 2.087 10 30 EEEEHO C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)NCc1ccccc1C#N ZINC001442283692 1096595881 /nfs/dbraw/zinc/59/58/81/1096595881.db2.gz CPLOCEHVQQTKQS-INIZCTEOSA-N 1 3 342.487 2.417 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001497330290 1102336165 /nfs/dbraw/zinc/33/61/65/1102336165.db2.gz GHBABGRVFFUOEM-MRXNPFEDSA-N 1 3 333.520 2.252 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001497501557 1102589832 /nfs/dbraw/zinc/58/98/32/1102589832.db2.gz XQSNILZTYMNGIY-HUUCEWRRSA-N 1 3 348.516 2.431 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001498197828 1107066231 /nfs/dbraw/zinc/06/62/31/1107066231.db2.gz WWKVENXRWFNZHD-YJBOKZPZSA-N 1 3 328.460 2.027 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC(=C)C)CC1 ZINC001498502077 1107643934 /nfs/dbraw/zinc/64/39/34/1107643934.db2.gz FJKQZVVLIZADIU-RBUKOAKNSA-N 1 3 331.504 2.172 10 30 EEEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCOCC1 ZINC001500589417 1112959751 /nfs/dbraw/zinc/95/97/51/1112959751.db2.gz BJBRSQORLJNRAW-KRWDZBQOSA-N 1 3 337.508 2.082 10 30 EEEEHO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001506861657 1114927988 /nfs/dbraw/zinc/92/79/88/1114927988.db2.gz WGMRPFPIWVDVEI-JYJNAYRXSA-N 1 3 339.911 2.440 10 30 EEEEHO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@H]2C1 ZINC001506861657 1114927991 /nfs/dbraw/zinc/92/79/91/1114927991.db2.gz WGMRPFPIWVDVEI-JYJNAYRXSA-N 1 3 339.911 2.440 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@](C)(C[NH2+]CCC2CC2)C2CC2)CC1 ZINC001568033855 1124240981 /nfs/dbraw/zinc/24/09/81/1124240981.db2.gz KFQZVSFISVFITN-HXUWFJFHSA-N 1 3 331.504 2.006 10 30 EEEEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594438652 468586716 /nfs/dbraw/zinc/58/67/16/468586716.db2.gz PHLPYIJAQNJHMS-NEWSRXKRSA-N 1 3 342.487 2.424 10 30 EEEEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000594438652 468586719 /nfs/dbraw/zinc/58/67/19/468586719.db2.gz PHLPYIJAQNJHMS-NEWSRXKRSA-N 1 3 342.487 2.424 10 30 EEEEHO CCc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)N(C)C)cc1 ZINC000594446451 468593103 /nfs/dbraw/zinc/59/31/03/468593103.db2.gz TVTMWTQTPAHWGX-ZWKOTPCHSA-N 1 3 330.476 2.379 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001267735409 1180333104 /nfs/dbraw/zinc/33/31/04/1180333104.db2.gz UOBPRCDDSSFWCT-SFHVURJKSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001267735409 1180333112 /nfs/dbraw/zinc/33/31/12/1180333112.db2.gz UOBPRCDDSSFWCT-SFHVURJKSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CC[N@@H+](C)CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001481521419 1181638102 /nfs/dbraw/zinc/63/81/02/1181638102.db2.gz CXSQAMQXFROZFQ-UHFFFAOYSA-N 1 3 327.472 2.165 10 30 EEEEHO C#CC[N@H+](C)CC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001481521419 1181638106 /nfs/dbraw/zinc/63/81/06/1181638106.db2.gz CXSQAMQXFROZFQ-UHFFFAOYSA-N 1 3 327.472 2.165 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001268084160 1181699361 /nfs/dbraw/zinc/69/93/61/1181699361.db2.gz BZPFQDZOAXMGRY-SFHVURJKSA-N 1 3 341.499 2.207 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001271021419 1185821230 /nfs/dbraw/zinc/82/12/30/1185821230.db2.gz MLMDYPORZYTEMV-SFHVURJKSA-N 1 3 339.483 2.103 10 30 EEEEHO CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H](C(C)C)N(C)C ZINC001482963504 1187898545 /nfs/dbraw/zinc/89/85/45/1187898545.db2.gz WWRWHUFATWBIAJ-GOSISDBHSA-N 1 3 330.476 2.083 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483197269 1189087714 /nfs/dbraw/zinc/08/77/14/1189087714.db2.gz CLDFUSHNPHBOHX-CJNGLKHVSA-N 1 3 334.489 2.088 10 30 EEEEHO C=C(Br)C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001484551520 1191410547 /nfs/dbraw/zinc/41/05/47/1191410547.db2.gz KVHQJMQSPKYWOM-CQSZACIVSA-N 1 3 346.313 2.063 10 30 EEEEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001485159459 1191673940 /nfs/dbraw/zinc/67/39/40/1191673940.db2.gz XLKYOWQUTDIOJM-JKSUJKDBSA-N 1 3 345.462 2.144 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001273204492 1197516117 /nfs/dbraw/zinc/51/61/17/1197516117.db2.gz LJUYIGFRAJPBBR-LPHOPBHVSA-N 1 3 342.487 2.417 10 30 EEEEHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001490902329 1254255982 /nfs/dbraw/zinc/25/59/82/1254255982.db2.gz MXWGWOFWYMOUGI-UFYCRDLUSA-N 1 3 339.483 2.149 10 30 EEEEHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001490902329 1254255992 /nfs/dbraw/zinc/25/59/92/1254255992.db2.gz MXWGWOFWYMOUGI-UFYCRDLUSA-N 1 3 339.483 2.149 10 30 EEEEHO CC#CC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC001278690336 1317745651 /nfs/dbraw/zinc/74/56/51/1317745651.db2.gz PKGPMUZQHLPHAL-GOSISDBHSA-N 1 3 327.472 2.212 10 30 EEEEHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001263872594 1322543866 /nfs/dbraw/zinc/54/38/66/1322543866.db2.gz PVSGHHNVZZOWQK-VAMGGRTRSA-N 1 3 341.499 2.109 10 30 EEEEHO CN(CC(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001265036322 1322878748 /nfs/dbraw/zinc/87/87/48/1322878748.db2.gz BHCCFJNILBQUQB-UHFFFAOYSA-N 1 3 344.503 2.474 10 30 EEEEHO CN(CC(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001265036322 1322878754 /nfs/dbraw/zinc/87/87/54/1322878754.db2.gz BHCCFJNILBQUQB-UHFFFAOYSA-N 1 3 344.503 2.474 10 30 EEEEHO C=CCC[C@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001282773590 1325782153 /nfs/dbraw/zinc/78/21/53/1325782153.db2.gz STEVFMXTBZNCCX-FXAWDEMLSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCC[C@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001282773590 1325782156 /nfs/dbraw/zinc/78/21/56/1325782156.db2.gz STEVFMXTBZNCCX-FXAWDEMLSA-N 1 3 349.519 2.129 10 30 EEEEHO CC#CCN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001316921334 1331987665 /nfs/dbraw/zinc/98/76/65/1331987665.db2.gz YIZIIGAITKCCRC-IBGZPJMESA-N 1 3 331.504 2.387 10 30 EEEEHO CC#CCN(CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001316921334 1331987668 /nfs/dbraw/zinc/98/76/68/1331987668.db2.gz YIZIIGAITKCCRC-IBGZPJMESA-N 1 3 331.504 2.387 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001317471277 1332258089 /nfs/dbraw/zinc/25/80/89/1332258089.db2.gz HQDKWWJXRXUVEK-KRWDZBQOSA-N 1 3 327.472 2.141 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001317471277 1332258091 /nfs/dbraw/zinc/25/80/91/1332258091.db2.gz HQDKWWJXRXUVEK-KRWDZBQOSA-N 1 3 327.472 2.141 10 30 EEEEHO CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CN(C)C2CCC2)cc1 ZINC001326468357 1334099357 /nfs/dbraw/zinc/09/93/57/1334099357.db2.gz LGEXYGNNFWVOGZ-INIZCTEOSA-N 1 3 327.472 2.461 10 30 EEEEHO C=CCCC[NH2+]CC1(NC(=O)CN2[C@@H](C)CC[C@@H]2C)CCOCC1 ZINC001327671121 1334331098 /nfs/dbraw/zinc/33/10/98/1334331098.db2.gz GYOCMDMEQOKIIV-IRXDYDNUSA-N 1 3 337.508 2.080 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCCC[C@H]2C[NH2+]C/C=C\Cl)CC1 ZINC001661972085 1354730572 /nfs/dbraw/zinc/73/05/72/1354730572.db2.gz NVYAMGKGMZVXDV-OOYWPUHTSA-N 1 3 337.895 2.055 10 30 EEEEHO C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001662878772 1354872943 /nfs/dbraw/zinc/87/29/43/1354872943.db2.gz VWSGAVDWDGFRIF-IBGZPJMESA-N 1 3 327.472 2.308 10 30 EEEEHO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001662878772 1354872949 /nfs/dbraw/zinc/87/29/49/1354872949.db2.gz VWSGAVDWDGFRIF-IBGZPJMESA-N 1 3 327.472 2.308 10 30 EEEEHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001672326217 1356501528 /nfs/dbraw/zinc/50/15/28/1356501528.db2.gz BAMNWZLWCVDGLZ-QUCCMNQESA-N 1 3 341.499 2.064 10 30 EEEEHO C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001672916229 1356614037 /nfs/dbraw/zinc/61/40/37/1356614037.db2.gz OJFYSDBUQLFHDW-JKSUJKDBSA-N 1 3 327.900 2.442 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001698717144 1405021931 /nfs/dbraw/zinc/02/19/31/1405021931.db2.gz PCXTWTOBJCUJEA-LJQANCHMSA-N 1 3 327.472 2.146 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001698717144 1405021941 /nfs/dbraw/zinc/02/19/41/1405021941.db2.gz PCXTWTOBJCUJEA-LJQANCHMSA-N 1 3 327.472 2.146 10 30 EEEEHO C#CCOc1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000822754442 787369590 /nfs/dbraw/zinc/36/95/90/787369590.db2.gz MVAMQYNPAKNVCI-INIZCTEOSA-N 1 3 346.475 2.092 10 30 EEEEHO C#CCOc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000822754442 787369601 /nfs/dbraw/zinc/36/96/01/787369601.db2.gz MVAMQYNPAKNVCI-INIZCTEOSA-N 1 3 346.475 2.092 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CCNCc1ccccc1C#N ZINC001496415894 1101008995 /nfs/dbraw/zinc/00/89/95/1101008995.db2.gz RBLILMQPWUKLJN-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)CCC[NH+]2CCCCC2)cc1 ZINC001495498072 1101208514 /nfs/dbraw/zinc/20/85/14/1101208514.db2.gz PTZBUUVJJIKZGE-UHFFFAOYSA-N 1 3 327.472 2.292 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001497396561 1102427532 /nfs/dbraw/zinc/42/75/32/1102427532.db2.gz GYAPTKHBCOXLLV-KRWDZBQOSA-N 1 3 348.516 2.432 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001497396561 1102427539 /nfs/dbraw/zinc/42/75/39/1102427539.db2.gz GYAPTKHBCOXLLV-KRWDZBQOSA-N 1 3 348.516 2.432 10 30 EEEEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001447860160 1103463974 /nfs/dbraw/zinc/46/39/74/1103463974.db2.gz AYVSJAPZLGURMX-GJZGRUSLSA-N 1 3 328.460 2.025 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@@H+](CCCC=C)C2)CC1 ZINC001494082031 1103492704 /nfs/dbraw/zinc/49/27/04/1103492704.db2.gz CIKHFDFLDAEIKO-SFHVURJKSA-N 1 3 331.504 2.126 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@H+](CCCC=C)C2)CC1 ZINC001494082031 1103492708 /nfs/dbraw/zinc/49/27/08/1103492708.db2.gz CIKHFDFLDAEIKO-SFHVURJKSA-N 1 3 331.504 2.126 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001480597514 1106735668 /nfs/dbraw/zinc/73/56/68/1106735668.db2.gz QJLBTVPDKQQAQF-HZPDHXFCSA-N 1 3 345.462 2.326 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)CCC=C)CC1 ZINC001493160620 1107615852 /nfs/dbraw/zinc/61/58/52/1107615852.db2.gz IUMZSSPSTWWCJM-IEBWSBKVSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)CCC=C)CC1 ZINC001493160620 1107615858 /nfs/dbraw/zinc/61/58/58/1107615858.db2.gz IUMZSSPSTWWCJM-IEBWSBKVSA-N 1 3 331.504 2.267 10 30 EEEEHO C=CCN(CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001493415552 1108113356 /nfs/dbraw/zinc/11/33/56/1108113356.db2.gz NLULUNRJQGMEAK-MOPGFXCFSA-N 1 3 327.472 2.098 10 30 EEEEHO C=CCN(CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC001493415552 1108113362 /nfs/dbraw/zinc/11/33/62/1108113362.db2.gz NLULUNRJQGMEAK-MOPGFXCFSA-N 1 3 327.472 2.098 10 30 EEEEHO C#CCN1CCC[C@](C)(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001500523121 1112914981 /nfs/dbraw/zinc/91/49/81/1112914981.db2.gz RCOOCLWILFOWBH-MOPGFXCFSA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCN1CCC[C@](C)(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001500523121 1112914985 /nfs/dbraw/zinc/91/49/85/1112914985.db2.gz RCOOCLWILFOWBH-MOPGFXCFSA-N 1 3 337.483 2.050 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccccc1)N(C)C ZINC001506945258 1114993827 /nfs/dbraw/zinc/99/38/27/1114993827.db2.gz TUNTZKLDKHAFPF-AZUAARDMSA-N 1 3 343.515 2.499 10 30 EEEEHO C#CCN1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC)CC2 ZINC001568253155 1124387421 /nfs/dbraw/zinc/38/74/21/1124387421.db2.gz ZABDUHPSLTXCIS-LJQANCHMSA-N 1 3 339.483 2.237 10 30 EEEEHO C#CCN1CC2(C1)CCN(C(=O)[C@@H](c1ccccc1)[N@H+](C)CC)CC2 ZINC001568253155 1124387424 /nfs/dbraw/zinc/38/74/24/1124387424.db2.gz ZABDUHPSLTXCIS-LJQANCHMSA-N 1 3 339.483 2.237 10 30 EEEEHO CC[C@@H](O)[C@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872645 465272376 /nfs/dbraw/zinc/27/23/76/465272376.db2.gz GIVPJINMCYAWSV-FGYAAKKASA-N 1 3 336.520 2.241 10 30 EEEEHO CC[C@@H](O)[C@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872645 465272379 /nfs/dbraw/zinc/27/23/79/465272379.db2.gz GIVPJINMCYAWSV-FGYAAKKASA-N 1 3 336.520 2.241 10 30 EEEEHO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC#CCN1CCCC[C@H]1[C@@H](O)CC ZINC000341872645 465272384 /nfs/dbraw/zinc/27/23/84/465272384.db2.gz GIVPJINMCYAWSV-FGYAAKKASA-N 1 3 336.520 2.241 10 30 EEEEHO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC#CCN1CCCC[C@H]1[C@@H](O)CC ZINC000341872645 465272387 /nfs/dbraw/zinc/27/23/87/465272387.db2.gz GIVPJINMCYAWSV-FGYAAKKASA-N 1 3 336.520 2.241 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)CC1 ZINC000174769904 464448952 /nfs/dbraw/zinc/44/89/52/464448952.db2.gz MWVJKBCSQYGNOA-QZTJIDSGSA-N 1 3 334.508 2.295 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2CC)CC1 ZINC000174769904 464448957 /nfs/dbraw/zinc/44/89/57/464448957.db2.gz MWVJKBCSQYGNOA-QZTJIDSGSA-N 1 3 334.508 2.295 10 30 EEEEHO C=CCOc1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414971459 467458990 /nfs/dbraw/zinc/45/89/90/467458990.db2.gz IRYIRQWZUSRLDY-INIZCTEOSA-N 1 3 343.393 2.177 10 30 EEEEHO C=CCN1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527768967 467664947 /nfs/dbraw/zinc/66/49/47/467664947.db2.gz URGXEYFDHHDLRA-GOSISDBHSA-N 1 3 334.508 2.343 10 30 EEEEHO C=CCN1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527768967 467664952 /nfs/dbraw/zinc/66/49/52/467664952.db2.gz URGXEYFDHHDLRA-GOSISDBHSA-N 1 3 334.508 2.343 10 30 EEEEHO CN(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594438992 468588294 /nfs/dbraw/zinc/58/82/94/468588294.db2.gz XZYSTHVJNNIKOY-HOTGVXAUSA-N 1 3 336.867 2.470 10 30 EEEEHO N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000600721954 468635646 /nfs/dbraw/zinc/63/56/46/468635646.db2.gz OCFKAVIFAYIATB-RTBURBONSA-N 1 3 327.472 2.195 10 30 EEEEHO N#CC1(C[C@@H](O)CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000600721954 468635650 /nfs/dbraw/zinc/63/56/50/468635650.db2.gz OCFKAVIFAYIATB-RTBURBONSA-N 1 3 327.472 2.195 10 30 EEEEHO N#CC1(C[C@@H](O)CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000600721954 468635654 /nfs/dbraw/zinc/63/56/54/468635654.db2.gz OCFKAVIFAYIATB-RTBURBONSA-N 1 3 327.472 2.195 10 30 EEEEHO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000599358553 469225492 /nfs/dbraw/zinc/22/54/92/469225492.db2.gz FBWWKGKVMRLZKM-LNLFQRSKSA-N 1 3 349.519 2.300 10 30 EEEEHO C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599358553 469225496 /nfs/dbraw/zinc/22/54/96/469225496.db2.gz FBWWKGKVMRLZKM-LNLFQRSKSA-N 1 3 349.519 2.300 10 30 EEEEHO C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000599358553 469225502 /nfs/dbraw/zinc/22/55/02/469225502.db2.gz FBWWKGKVMRLZKM-LNLFQRSKSA-N 1 3 349.519 2.300 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000899952480 693938540 /nfs/dbraw/zinc/93/85/40/693938540.db2.gz HDPUCWNISRTSSD-IBGZPJMESA-N 1 3 345.487 2.456 10 30 EEEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@H]1C)C1CC[NH+](CC2CC2)CC1 ZINC001671508491 1176866128 /nfs/dbraw/zinc/86/61/28/1176866128.db2.gz ZYBJNTPQJQSEBC-IAGOWNOFSA-N 1 3 331.504 2.195 10 30 EEEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001691114804 1177605148 /nfs/dbraw/zinc/60/51/48/1177605148.db2.gz WSNUZFLFAGSOEE-RVKKMQEKSA-N 1 3 325.472 2.259 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001267154935 1178338229 /nfs/dbraw/zinc/33/82/29/1178338229.db2.gz NHNCUFHRRAQDPX-GOSISDBHSA-N 1 3 341.499 2.059 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@](C)(C[NH2+]CC2CCCC2)C2CC2)CC1 ZINC001267865222 1180652740 /nfs/dbraw/zinc/65/27/40/1180652740.db2.gz UZTZHUBLAVUPBO-NRFANRHFSA-N 1 3 345.531 2.396 10 30 EEEEHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C(F)(F)F ZINC001284376647 1183887082 /nfs/dbraw/zinc/88/70/82/1183887082.db2.gz WSQPEVXTDLMRCK-KGLIPLIRSA-N 1 3 335.414 2.129 10 30 EEEEHO C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001485042971 1191623733 /nfs/dbraw/zinc/62/37/33/1191623733.db2.gz HEXLVRPPEHPQPF-FBBABVLZSA-N 1 3 339.483 2.256 10 30 EEEEHO C#CCCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001485042971 1191623734 /nfs/dbraw/zinc/62/37/34/1191623734.db2.gz HEXLVRPPEHPQPF-FBBABVLZSA-N 1 3 339.483 2.256 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001485229756 1191698768 /nfs/dbraw/zinc/69/87/68/1191698768.db2.gz LHFIPXHSGDPCQS-HUUCEWRRSA-N 1 3 333.501 2.076 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000876754566 1199757520 /nfs/dbraw/zinc/75/75/20/1199757520.db2.gz SRBIKEUMBZZPRD-INIZCTEOSA-N 1 3 339.867 2.103 10 30 EEEEHO C=CCOCCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001276388528 1297158941 /nfs/dbraw/zinc/15/89/41/1297158941.db2.gz ISANWCWYPUNTQU-APWZRJJASA-N 1 3 349.519 2.033 10 30 EEEEHO C=CCOCCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001276388528 1297158946 /nfs/dbraw/zinc/15/89/46/1297158946.db2.gz ISANWCWYPUNTQU-APWZRJJASA-N 1 3 349.519 2.033 10 30 EEEEHO CC(C)[C@H](C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001265378279 1323107705 /nfs/dbraw/zinc/10/77/05/1323107705.db2.gz JCFKZFRCMKYJHP-VQTJNVASSA-N 1 3 341.499 2.109 10 30 EEEEHO CC#CCN1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001279631141 1323965992 /nfs/dbraw/zinc/96/59/92/1323965992.db2.gz RKHDIJBDCPOEPS-RBUKOAKNSA-N 1 3 331.504 2.199 10 30 EEEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C(F)(F)F ZINC001284364641 1326521723 /nfs/dbraw/zinc/52/17/23/1326521723.db2.gz RMNCEQFYKDKCTE-KBPBESRZSA-N 1 3 347.425 2.273 10 30 EEEEHO CN(C)C1(C(=O)N(C)C2CC([NH2+]CC#Cc3ccccc3)C2)CCC1 ZINC001284771454 1326705849 /nfs/dbraw/zinc/70/58/49/1326705849.db2.gz RNLKOTNPUHDWLP-UHFFFAOYSA-N 1 3 339.483 2.101 10 30 EEEEHO CCCN(C)CC(=O)N1CC[C@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC001326417792 1334089361 /nfs/dbraw/zinc/08/93/61/1334089361.db2.gz FLLJGWKNURZZCJ-FQEVSTJZSA-N 1 3 341.499 2.208 10 30 EEEEHO C=C(Cl)CN[C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001479690454 1337362215 /nfs/dbraw/zinc/36/22/15/1337362215.db2.gz PIUHVPSMADPAAJ-HNNXBMFYSA-N 1 3 327.900 2.442 10 30 EEEEHO C#CCN(C)CCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001564847999 1342550905 /nfs/dbraw/zinc/55/09/05/1342550905.db2.gz XZBWCFXQQMZBHY-GOSISDBHSA-N 1 3 334.508 2.038 10 30 EEEEHO C#CCN(C)CCCNC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001564847999 1342550910 /nfs/dbraw/zinc/55/09/10/1342550910.db2.gz XZBWCFXQQMZBHY-GOSISDBHSA-N 1 3 334.508 2.038 10 30 EEEEHO C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)CN1CC[C@@H](C)C1 ZINC001571307480 1343177067 /nfs/dbraw/zinc/17/70/67/1343177067.db2.gz DBCUOWWCRBXSBL-HUUCEWRRSA-N 1 3 348.516 2.336 10 30 EEEEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C[C@@H]1C ZINC001671252647 1354026714 /nfs/dbraw/zinc/02/67/14/1354026714.db2.gz ZYQFOWPVEGXDPC-ICSRJNTNSA-N 1 3 341.499 2.349 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001669930540 1356242603 /nfs/dbraw/zinc/24/26/03/1356242603.db2.gz OJLLFVBKZLFVEP-ZWKOTPCHSA-N 1 3 335.536 2.450 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)C[C@@H](C)CC(C)C)CC1 ZINC001669930540 1356242606 /nfs/dbraw/zinc/24/26/06/1356242606.db2.gz OJLLFVBKZLFVEP-ZWKOTPCHSA-N 1 3 335.536 2.450 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001672392023 1356513528 /nfs/dbraw/zinc/51/35/28/1356513528.db2.gz HAPGMEVRFUPUEH-WOJBJXKFSA-N 1 3 339.483 2.255 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001672392023 1356513530 /nfs/dbraw/zinc/51/35/30/1356513530.db2.gz HAPGMEVRFUPUEH-WOJBJXKFSA-N 1 3 339.483 2.255 10 30 EEEEHO C=C(Br)CNC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001438777311 1091367756 /nfs/dbraw/zinc/36/77/56/1091367756.db2.gz UNJKHCXUJYHVJZ-TZMCWYRMSA-N 1 3 346.313 2.063 10 30 EEEEHO C=C(Cl)CN[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC001441930730 1096118630 /nfs/dbraw/zinc/11/86/30/1096118630.db2.gz XHXDAPNSXXZLNA-ZWKOTPCHSA-N 1 3 349.906 2.398 10 30 EEEEHO C=C(Cl)CN[C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001441930730 1096118634 /nfs/dbraw/zinc/11/86/34/1096118634.db2.gz XHXDAPNSXXZLNA-ZWKOTPCHSA-N 1 3 349.906 2.398 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001497501555 1102590818 /nfs/dbraw/zinc/59/08/18/1102590818.db2.gz XQSNILZTYMNGIY-GASCZTMLSA-N 1 3 348.516 2.431 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001497501555 1102590829 /nfs/dbraw/zinc/59/08/29/1102590829.db2.gz XQSNILZTYMNGIY-GASCZTMLSA-N 1 3 348.516 2.431 10 30 EEEEHO C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001479426565 1110695309 /nfs/dbraw/zinc/69/53/09/1110695309.db2.gz RIAQNMIGWBGBIS-RBUKOAKNSA-N 1 3 329.488 2.489 10 30 EEEEHO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](F)CN(CC)CC)C2)C1 ZINC001499570768 1112375463 /nfs/dbraw/zinc/37/54/63/1112375463.db2.gz UYQVZXXLPWJECR-HKUYNNGSSA-N 1 3 337.483 2.004 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](F)CN(CC)CC)C2)C1 ZINC001499570768 1112375465 /nfs/dbraw/zinc/37/54/65/1112375465.db2.gz UYQVZXXLPWJECR-HKUYNNGSSA-N 1 3 337.483 2.004 10 30 EEEEHO CC#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001502406769 1113671716 /nfs/dbraw/zinc/67/17/16/1113671716.db2.gz SDYRJVAGMCFMMW-MOPGFXCFSA-N 1 3 333.520 2.445 10 30 EEEEHO C#CCCN1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001506744319 1114856340 /nfs/dbraw/zinc/85/63/40/1114856340.db2.gz LSDZBSUDZFOKJQ-GOSISDBHSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCCN1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C(C)(C)C1 ZINC001506744319 1114856342 /nfs/dbraw/zinc/85/63/42/1114856342.db2.gz LSDZBSUDZFOKJQ-GOSISDBHSA-N 1 3 333.520 2.491 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)NC(=O)CCC[NH+]1CCCCC1 ZINC001569036851 1125057012 /nfs/dbraw/zinc/05/70/12/1125057012.db2.gz ROVFQFFQKBWMRC-LJQANCHMSA-N 1 3 341.499 2.399 10 30 EEEEHO CCCN1CCC(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000567160358 319353398 /nfs/dbraw/zinc/35/33/98/319353398.db2.gz CVWBTXPZFTYJJY-UHFFFAOYSA-N 1 3 349.500 2.044 10 30 EEEEHO CC(C)C[C@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)NCC[NH+](C)C ZINC000347252614 466511961 /nfs/dbraw/zinc/51/19/61/466511961.db2.gz QUQDWUYXTLEMKO-QAPCUYQASA-N 1 3 330.476 2.301 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)C(C)C ZINC000417070003 466769948 /nfs/dbraw/zinc/76/99/48/466769948.db2.gz UZNSLGDADPXDEG-KZNAEPCWSA-N 1 3 334.508 2.078 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000373493511 466822444 /nfs/dbraw/zinc/82/24/44/466822444.db2.gz IKUNHJZXOWUHCM-UHFFFAOYSA-N 1 3 334.508 2.343 10 30 EEEEHO N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000594446124 468591512 /nfs/dbraw/zinc/59/15/12/468591512.db2.gz PNSXKGDOTXTEHC-HUUCEWRRSA-N 1 3 334.489 2.412 10 30 EEEEHO C#CCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)C1CCN(C)CC1 ZINC000914314350 683481176 /nfs/dbraw/zinc/48/11/76/683481176.db2.gz RZFKDXHTHCANNP-PXNSSMCTSA-N 1 3 348.535 2.236 10 30 EEEEHO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001266567657 1176859545 /nfs/dbraw/zinc/85/95/45/1176859545.db2.gz MYIWAJOXFBEDGZ-VQTJNVASSA-N 1 3 339.483 2.103 10 30 EEEEHO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001266567657 1176859555 /nfs/dbraw/zinc/85/95/55/1176859555.db2.gz MYIWAJOXFBEDGZ-VQTJNVASSA-N 1 3 339.483 2.103 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001267473712 1179105977 /nfs/dbraw/zinc/10/59/77/1179105977.db2.gz NOBOFSWOASRBIK-UHFFFAOYSA-N 1 3 345.462 2.049 10 30 EEEEHO C#CCCN[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001481365954 1181134030 /nfs/dbraw/zinc/13/40/30/1181134030.db2.gz UUDJXDHONXATTE-RTBURBONSA-N 1 3 327.472 2.331 10 30 EEEEHO C#CCCN[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001481365954 1181134033 /nfs/dbraw/zinc/13/40/33/1181134033.db2.gz UUDJXDHONXATTE-RTBURBONSA-N 1 3 327.472 2.331 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1ccc(C#N)s1 ZINC001268549593 1183232255 /nfs/dbraw/zinc/23/22/55/1183232255.db2.gz QSBFCKHUDSQNLP-IDOMTICXSA-N 1 3 346.500 2.256 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1ccc(C#N)s1 ZINC001268549593 1183232257 /nfs/dbraw/zinc/23/22/57/1183232257.db2.gz QSBFCKHUDSQNLP-IDOMTICXSA-N 1 3 346.500 2.256 10 30 EEEEHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482161083 1183484362 /nfs/dbraw/zinc/48/43/62/1183484362.db2.gz BVMFZTMXJKDGLY-MRXNPFEDSA-N 1 3 349.906 2.375 10 30 EEEEHO C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001272828885 1193566781 /nfs/dbraw/zinc/56/67/81/1193566781.db2.gz FFVVHQBVNOYXIM-CQSZACIVSA-N 1 3 346.450 2.166 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CCCc2ccccc2)CC1 ZINC001483297180 1190320075 /nfs/dbraw/zinc/32/00/75/1190320075.db2.gz ZPRFWFTVVZNBJH-SFHVURJKSA-N 1 3 341.499 2.059 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001272465860 1190836950 /nfs/dbraw/zinc/83/69/50/1190836950.db2.gz MBHXOVRIDQYFJQ-HZPDHXFCSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001272465860 1190836951 /nfs/dbraw/zinc/83/69/51/1190836951.db2.gz MBHXOVRIDQYFJQ-HZPDHXFCSA-N 1 3 327.900 2.442 10 30 EEEEHO CCCN(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC001486246886 1193773150 /nfs/dbraw/zinc/77/31/50/1193773150.db2.gz ULZHRCNNDUIVRV-INIZCTEOSA-N 1 3 348.516 2.288 10 30 EEEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001410232509 1197622129 /nfs/dbraw/zinc/62/21/29/1197622129.db2.gz ZSJQGAAGLNIXQG-VGWMRTNUSA-N 1 3 327.900 2.344 10 30 EEEEHO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001410927658 1198592448 /nfs/dbraw/zinc/59/24/48/1198592448.db2.gz UZGLHRDMQIDVOD-BZUAXINKSA-N 1 3 327.900 2.296 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876901066 1199813241 /nfs/dbraw/zinc/81/32/41/1199813241.db2.gz XWSFBLHALAMHIP-PVAVHDDUSA-N 1 3 335.879 2.483 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876901066 1199813245 /nfs/dbraw/zinc/81/32/45/1199813245.db2.gz XWSFBLHALAMHIP-PVAVHDDUSA-N 1 3 335.879 2.483 10 30 EEEEHO C[C@H](NCC#Cc1ccc(F)cc1)[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001275542130 1205403514 /nfs/dbraw/zinc/40/35/14/1205403514.db2.gz RUKWEJJBWATNSE-IRXDYDNUSA-N 1 3 347.478 2.392 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)N[C@H](CN1CCCC1)c1ccc(OC)cc1 ZINC000901280698 1235472077 /nfs/dbraw/zinc/47/20/77/1235472077.db2.gz SZDACCKDWKRZEU-LJQANCHMSA-N 1 3 345.487 2.456 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC[C@@H](C)F)C(C)(C)C)CC1 ZINC001284653696 1326647621 /nfs/dbraw/zinc/64/76/21/1326647621.db2.gz VBSWSRAJTVSLSU-WBVHZDCISA-N 1 3 339.499 2.200 10 30 EEEEHO C=CC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC001316726565 1331842057 /nfs/dbraw/zinc/84/20/57/1331842057.db2.gz GQUQJDFMZKSSHB-KBPBESRZSA-N 1 3 347.425 2.273 10 30 EEEEHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001317091240 1332075459 /nfs/dbraw/zinc/07/54/59/1332075459.db2.gz NAAGFSKTQWSCEZ-WGSAOQKQSA-N 1 3 327.472 2.007 10 30 EEEEHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001326225214 1334048183 /nfs/dbraw/zinc/04/81/83/1334048183.db2.gz SQSGAHXFUGVQMI-WMLDXEAASA-N 1 3 346.500 2.042 10 30 EEEEHO CC(C)[C@@H](C(=O)NCC1(NCC#Cc2ccccc2)CCC1)[NH+](C)C ZINC001326833855 1334166525 /nfs/dbraw/zinc/16/65/25/1334166525.db2.gz ABJRRUBKXVMWPG-IBGZPJMESA-N 1 3 341.499 2.253 10 30 EEEEHO C=C(Br)CNCC[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001672853858 1356599767 /nfs/dbraw/zinc/59/97/67/1356599767.db2.gz TZQITBWCJSPSCA-CQSZACIVSA-N 1 3 346.313 2.065 10 30 EEEEHO C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567198450 1342710152 /nfs/dbraw/zinc/71/01/52/1342710152.db2.gz IKNKRFYXBQIUOP-VQIMIIECSA-N 1 3 337.483 2.145 10 30 EEEEHO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567198450 1342710153 /nfs/dbraw/zinc/71/01/53/1342710153.db2.gz IKNKRFYXBQIUOP-VQIMIIECSA-N 1 3 337.483 2.145 10 30 EEEEHO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](F)CN(CC)CC)C[C@@]2(C)C1 ZINC001571060523 1343157611 /nfs/dbraw/zinc/15/76/11/1343157611.db2.gz YJVKYQKQBZLFMQ-QRQLOZEOSA-N 1 3 339.499 2.413 10 30 EEEEHO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](F)CN(CC)CC)C[C@@]2(C)C1 ZINC001571060523 1343157614 /nfs/dbraw/zinc/15/76/14/1343157614.db2.gz YJVKYQKQBZLFMQ-QRQLOZEOSA-N 1 3 339.499 2.413 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccccc1 ZINC001649474827 1353526129 /nfs/dbraw/zinc/52/61/29/1353526129.db2.gz QYVPYEPSHXHECN-SFHVURJKSA-N 1 3 329.488 2.253 10 30 EEEEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C[C@@H]1C ZINC001671252646 1354026449 /nfs/dbraw/zinc/02/64/49/1354026449.db2.gz ZYQFOWPVEGXDPC-AZUAARDMSA-N 1 3 341.499 2.349 10 30 EEEEHO C#CCN(C(=O)CC[NH+](C)C)C1CCN(Cc2csc(C)c2)CC1 ZINC001671491964 1356348969 /nfs/dbraw/zinc/34/89/69/1356348969.db2.gz MPXRJQAURAFOJN-UHFFFAOYSA-N 1 3 347.528 2.434 10 30 EEEEHO C#CCC[N@@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001566596321 1125787679 /nfs/dbraw/zinc/78/76/79/1125787679.db2.gz CSVDWBFNNKKVOO-LJQANCHMSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCC[N@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001566596321 1125787682 /nfs/dbraw/zinc/78/76/82/1125787682.db2.gz CSVDWBFNNKKVOO-LJQANCHMSA-N 1 3 337.483 2.193 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001494178978 1103654595 /nfs/dbraw/zinc/65/45/95/1103654595.db2.gz OMYCLQGJUZQXNX-LJQANCHMSA-N 1 3 342.487 2.179 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001494178978 1103654600 /nfs/dbraw/zinc/65/46/00/1103654600.db2.gz OMYCLQGJUZQXNX-LJQANCHMSA-N 1 3 342.487 2.179 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480708529 1106927581 /nfs/dbraw/zinc/92/75/81/1106927581.db2.gz GXVOIUOMNUEYTJ-GJZGRUSLSA-N 1 3 348.516 2.477 10 30 EEEEHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501153950 1113217559 /nfs/dbraw/zinc/21/75/59/1113217559.db2.gz YQTCIRUCWPGYDK-APWZRJJASA-N 1 3 342.487 2.083 10 30 EEEEHO C#CCCN1CCc2c(CNC(=O)CCC[NH+](C)C)cccc2C1 ZINC001501854519 1113497753 /nfs/dbraw/zinc/49/77/53/1113497753.db2.gz VILOFDULYVMIFP-UHFFFAOYSA-N 1 3 327.472 2.026 10 30 EEEEHO CN(C)C1(C(=O)NC2CC(C[NH2+]Cc3ccc(C#N)cc3)C2)CCC1 ZINC001505502205 1114026238 /nfs/dbraw/zinc/02/62/38/1114026238.db2.gz ZZAJOLUIZLBBPU-UHFFFAOYSA-N 1 3 340.471 2.027 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCCC=C)CCCC2)CC1 ZINC001568246218 1124383477 /nfs/dbraw/zinc/38/34/77/1124383477.db2.gz BBBWSQUHNQYYKX-UHFFFAOYSA-N 1 3 331.504 2.316 10 30 EEEEHO CC[C@H](C(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)C(C)C)N(C)C ZINC001568454606 1124519610 /nfs/dbraw/zinc/51/96/10/1124519610.db2.gz MTEUNFALEWUQFZ-RBUKOAKNSA-N 1 3 329.488 2.109 10 30 EEEEHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CCCCC#N ZINC000594436347 468585379 /nfs/dbraw/zinc/58/53/79/468585379.db2.gz DFMZMPSYQAEVCQ-RBUKOAKNSA-N 1 3 342.487 2.378 10 30 EEEEHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CCCCC#N ZINC000594436347 468585384 /nfs/dbraw/zinc/58/53/84/468585384.db2.gz DFMZMPSYQAEVCQ-RBUKOAKNSA-N 1 3 342.487 2.378 10 30 EEEEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437211 468586361 /nfs/dbraw/zinc/58/63/61/468586361.db2.gz JFRXRYCHTFTACX-KBAYOESNSA-N 1 3 328.460 2.349 10 30 EEEEHO C#CCN1C[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001485582883 1191849242 /nfs/dbraw/zinc/84/92/42/1191849242.db2.gz VMQJWOYCAXBXOD-ROUUACIJSA-N 1 3 327.472 2.139 10 30 EEEEHO C#CCN1C[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001485582883 1191849244 /nfs/dbraw/zinc/84/92/44/1191849244.db2.gz VMQJWOYCAXBXOD-ROUUACIJSA-N 1 3 327.472 2.139 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001482172033 1183498548 /nfs/dbraw/zinc/49/85/48/1183498548.db2.gz MOXXBGSVZQWISK-MRXNPFEDSA-N 1 3 345.462 2.013 10 30 EEEEHO C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)CN(CC)CC ZINC001269592936 1184416885 /nfs/dbraw/zinc/41/68/85/1184416885.db2.gz IEXLZMCERAFLOX-IXDOHACOSA-N 1 3 325.472 2.308 10 30 EEEEHO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)CN(CC)CC ZINC001269592936 1184416888 /nfs/dbraw/zinc/41/68/88/1184416888.db2.gz IEXLZMCERAFLOX-IXDOHACOSA-N 1 3 325.472 2.308 10 30 EEEEHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001280272712 1185313196 /nfs/dbraw/zinc/31/31/96/1185313196.db2.gz AOFRJYDDQFDBRN-OAHLLOKOSA-N 1 3 348.516 2.290 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2cccc(C)c2)CC1 ZINC001482900518 1187812743 /nfs/dbraw/zinc/81/27/43/1187812743.db2.gz CMEBNWAMLVGBAF-GOSISDBHSA-N 1 3 341.499 2.325 10 30 EEEEHO C=CCOCCN1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001491214394 1258779988 /nfs/dbraw/zinc/77/99/88/1258779988.db2.gz PUHIKTQOCKUMHJ-SFHVURJKSA-N 1 3 349.519 2.036 10 30 EEEEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852883919 1292224586 /nfs/dbraw/zinc/22/45/86/1292224586.db2.gz BBVXMXNVDDFKMC-GOSISDBHSA-N 1 3 339.483 2.112 10 30 EEEEHO CC(C)[C@H](C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1)[NH+](C)C ZINC001277981605 1305561754 /nfs/dbraw/zinc/56/17/54/1305561754.db2.gz NSKXWZRAWPEFAD-VQTJNVASSA-N 1 3 341.499 2.205 10 30 EEEEHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC001278667566 1317608069 /nfs/dbraw/zinc/60/80/69/1317608069.db2.gz RSAQXLGIFNXTJV-BEFAXECRSA-N 1 3 337.483 2.049 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001265429054 1323149965 /nfs/dbraw/zinc/14/99/65/1323149965.db2.gz KZXGRYOSDMINEY-VQTJNVASSA-N 1 3 339.483 2.101 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001265429054 1323149979 /nfs/dbraw/zinc/14/99/79/1323149979.db2.gz KZXGRYOSDMINEY-VQTJNVASSA-N 1 3 339.483 2.101 10 30 EEEEHO C[C@H](NCC#Cc1ccccc1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266007207 1323561029 /nfs/dbraw/zinc/56/10/29/1323561029.db2.gz VJKMYHNNVROSRH-ICSRJNTNSA-N 1 3 341.499 2.349 10 30 EEEEHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](F)CN(CC)CC)C2 ZINC001281088257 1324758754 /nfs/dbraw/zinc/75/87/54/1324758754.db2.gz RIGUXFQKSXJVEQ-FUHWJXTLSA-N 1 3 325.472 2.167 10 30 EEEEHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](F)CN(CC)CC)C2 ZINC001281088257 1324758756 /nfs/dbraw/zinc/75/87/56/1324758756.db2.gz RIGUXFQKSXJVEQ-FUHWJXTLSA-N 1 3 325.472 2.167 10 30 EEEEHO C#CCN1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001317007811 1332042513 /nfs/dbraw/zinc/04/25/13/1332042513.db2.gz RMFNVCZCURATIH-MSOLQXFVSA-N 1 3 331.504 2.101 10 30 EEEEHO C#CC[NH2+]CCc1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC001317374880 1332202139 /nfs/dbraw/zinc/20/21/39/1332202139.db2.gz MEQRFSCXRNFVSH-UHFFFAOYSA-N 1 3 349.478 2.444 10 30 EEEEHO CC#CC[NH+]1CCC2(CCN(C(=O)[C@H](F)CN(CC)CC)C2)CC1 ZINC001323832994 1333550144 /nfs/dbraw/zinc/55/01/44/1333550144.db2.gz UFSRBTIBBPZPKR-QGZVFWFLSA-N 1 3 337.483 2.004 10 30 EEEEHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001324974951 1333800588 /nfs/dbraw/zinc/80/05/88/1333800588.db2.gz CQXXVCDXMDCYMJ-ICSRJNTNSA-N 1 3 333.520 2.348 10 30 EEEEHO CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566905153 1342649682 /nfs/dbraw/zinc/64/96/82/1342649682.db2.gz NQGCXTIFFQKWKT-APWZRJJASA-N 1 3 337.483 2.050 10 30 EEEEHO C=CCN[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001677376625 1357324353 /nfs/dbraw/zinc/32/43/53/1357324353.db2.gz XRXMUDOTPWZIIA-UONOGXRCSA-N 1 3 335.414 2.273 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC/C=C\CC)CC1 ZINC001656109129 1354202435 /nfs/dbraw/zinc/20/24/35/1354202435.db2.gz FRGXEPQRCZVMLX-RURPWVQCSA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC/C=C\CC)CC1 ZINC001656109129 1354202438 /nfs/dbraw/zinc/20/24/38/1354202438.db2.gz FRGXEPQRCZVMLX-RURPWVQCSA-N 1 3 331.504 2.221 10 30 EEEEHO CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001667413127 1355737199 /nfs/dbraw/zinc/73/71/99/1355737199.db2.gz KKCQKVNLQODKJX-SFHVURJKSA-N 1 3 339.499 2.250 10 30 EEEEHO CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H](F)CN(CC)CC)CC1 ZINC001667413127 1355737202 /nfs/dbraw/zinc/73/72/02/1355737202.db2.gz KKCQKVNLQODKJX-SFHVURJKSA-N 1 3 339.499 2.250 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001667771888 1355812620 /nfs/dbraw/zinc/81/26/20/1355812620.db2.gz USHIAQXHJSHUNZ-VQTJNVASSA-N 1 3 341.499 2.253 10 30 EEEEHO C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001672916227 1356614071 /nfs/dbraw/zinc/61/40/71/1356614071.db2.gz OJFYSDBUQLFHDW-HOTGVXAUSA-N 1 3 327.900 2.442 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(F)cc2)CC1 ZINC001698862426 1405118432 /nfs/dbraw/zinc/11/84/32/1405118432.db2.gz YKLQSMSQOULFOF-INIZCTEOSA-N 1 3 345.462 2.107 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940972585 779595860 /nfs/dbraw/zinc/59/58/60/779595860.db2.gz OBFJDWOMNVZZAP-MSOLQXFVSA-N 1 3 333.520 2.348 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940972585 779595871 /nfs/dbraw/zinc/59/58/71/779595871.db2.gz OBFJDWOMNVZZAP-MSOLQXFVSA-N 1 3 333.520 2.348 10 30 EEEEHO CCN(CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001566550815 1125721850 /nfs/dbraw/zinc/72/18/50/1125721850.db2.gz WIHUZKVISHHAPV-UYAOXDASSA-N 1 3 341.499 2.207 10 30 EEEEHO CCN(CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001566550815 1125721857 /nfs/dbraw/zinc/72/18/57/1125721857.db2.gz WIHUZKVISHHAPV-UYAOXDASSA-N 1 3 341.499 2.207 10 30 EEEEHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)C)N(C)C ZINC001438838903 1091470441 /nfs/dbraw/zinc/47/04/41/1091470441.db2.gz VVWNPRKDSIPUSD-QZTJIDSGSA-N 1 3 330.476 2.129 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1cccc(C#N)c1 ZINC001440189233 1093252795 /nfs/dbraw/zinc/25/27/95/1093252795.db2.gz IOFZZNRWUOAICJ-RTBURBONSA-N 1 3 340.471 2.075 10 30 EEEEHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CNCC#Cc2ccccc2)C1 ZINC001497885517 1103255684 /nfs/dbraw/zinc/25/56/84/1103255684.db2.gz SFTCFOLHECGJLA-QUCCMNQESA-N 1 3 341.499 2.254 10 30 EEEEHO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CNCC#Cc2ccccc2)C1 ZINC001497885517 1103255696 /nfs/dbraw/zinc/25/56/96/1103255696.db2.gz SFTCFOLHECGJLA-QUCCMNQESA-N 1 3 341.499 2.254 10 30 EEEEHO C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001447812903 1103374961 /nfs/dbraw/zinc/37/49/61/1103374961.db2.gz YLTDWHZLFYKPHW-MQBCKMQZSA-N 1 3 345.890 2.436 10 30 EEEEHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNCc2ccccc2C#N)C1 ZINC001501145875 1113214926 /nfs/dbraw/zinc/21/49/26/1113214926.db2.gz GWDRSZZSZDFJRQ-QFBILLFUSA-N 1 3 342.487 2.084 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](CNCc2ccccc2C#N)C1 ZINC001501145875 1113214928 /nfs/dbraw/zinc/21/49/28/1113214928.db2.gz GWDRSZZSZDFJRQ-QFBILLFUSA-N 1 3 342.487 2.084 10 30 EEEEHO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001506861655 1114927870 /nfs/dbraw/zinc/92/78/70/1114927870.db2.gz WGMRPFPIWVDVEI-ARFHVFGLSA-N 1 3 339.911 2.440 10 30 EEEEHO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001506861655 1114927873 /nfs/dbraw/zinc/92/78/73/1114927873.db2.gz WGMRPFPIWVDVEI-ARFHVFGLSA-N 1 3 339.911 2.440 10 30 EEEEHO C#CCN1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](CCCF)C2)CC1 ZINC001267549989 1179337398 /nfs/dbraw/zinc/33/73/98/1179337398.db2.gz MUOPPUQJIXUTST-SFHVURJKSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CCN1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001267549989 1179337404 /nfs/dbraw/zinc/33/74/04/1179337404.db2.gz MUOPPUQJIXUTST-SFHVURJKSA-N 1 3 337.483 2.004 10 30 EEEEHO CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC#Cc1ccccc1 ZINC001481839558 1182782953 /nfs/dbraw/zinc/78/29/53/1182782953.db2.gz WWEJJRXQWBVWOD-IBGZPJMESA-N 1 3 341.499 2.397 10 30 EEEEHO C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001271102082 1185886275 /nfs/dbraw/zinc/88/62/75/1185886275.db2.gz XELKZMUIRSSLER-HUUCEWRRSA-N 1 3 331.451 2.366 10 30 EEEEHO C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001271102082 1185886276 /nfs/dbraw/zinc/88/62/76/1185886276.db2.gz XELKZMUIRSSLER-HUUCEWRRSA-N 1 3 331.451 2.366 10 30 EEEEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)cc1F)N(C)C ZINC001482847402 1187765714 /nfs/dbraw/zinc/76/57/14/1187765714.db2.gz RQPUWNVLVDJSKH-SUMWQHHRSA-N 1 3 334.439 2.022 10 30 EEEEHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001483097889 1188473316 /nfs/dbraw/zinc/47/33/16/1188473316.db2.gz NIANLDAJLGMSNS-KSQPQJEDSA-N 1 3 340.471 2.193 10 30 EEEEHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001483097889 1188473321 /nfs/dbraw/zinc/47/33/21/1188473321.db2.gz NIANLDAJLGMSNS-KSQPQJEDSA-N 1 3 340.471 2.193 10 30 EEEEHO CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC#Cc1ccccc1)N(C)C ZINC001485263380 1191710140 /nfs/dbraw/zinc/71/01/40/1191710140.db2.gz BQXWCSJGQKNLIP-IBGZPJMESA-N 1 3 343.515 2.453 10 30 EEEEHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1)N(C)C ZINC001410206282 1197603498 /nfs/dbraw/zinc/60/34/98/1197603498.db2.gz AGNPHPAOFZYGJG-QGPMSJSTSA-N 1 3 346.450 2.022 10 30 EEEEHO C#C[C@H]1CC[C@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000872875415 1198426955 /nfs/dbraw/zinc/42/69/55/1198426955.db2.gz YVTJYLJGNWXWJH-QAQDUYKDSA-N 1 3 346.519 2.036 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876762247 1199761535 /nfs/dbraw/zinc/76/15/35/1199761535.db2.gz CXZFFRWSPSSOOV-IAGOWNOFSA-N 1 3 335.879 2.437 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876762247 1199761541 /nfs/dbraw/zinc/76/15/41/1199761541.db2.gz CXZFFRWSPSSOOV-IAGOWNOFSA-N 1 3 335.879 2.437 10 30 EEEEHO C#CC1(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCCC1 ZINC000882532991 1201890967 /nfs/dbraw/zinc/89/09/67/1201890967.db2.gz HLJWXYMFUQAQDR-UHFFFAOYSA-N 1 3 331.504 2.245 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000869236523 1201970944 /nfs/dbraw/zinc/97/09/44/1201970944.db2.gz BGOYVGGIORSHOC-AWEZNQCLSA-N 1 3 341.459 2.041 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000869236523 1201970946 /nfs/dbraw/zinc/97/09/46/1201970946.db2.gz BGOYVGGIORSHOC-AWEZNQCLSA-N 1 3 341.459 2.041 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000900158556 1234054784 /nfs/dbraw/zinc/05/47/84/1234054784.db2.gz QONDNHKLBSQUAG-LJQANCHMSA-N 1 3 329.488 2.447 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCc2ccc(C#N)s2)C1 ZINC001491558157 1303520532 /nfs/dbraw/zinc/52/05/32/1303520532.db2.gz IWCTVVKLLARZRY-LSDHHAIUSA-N 1 3 348.516 2.336 10 30 EEEEHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)NCc2ccc(C#N)s2)C1 ZINC001491558157 1303520535 /nfs/dbraw/zinc/52/05/35/1303520535.db2.gz IWCTVVKLLARZRY-LSDHHAIUSA-N 1 3 348.516 2.336 10 30 EEEEHO C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001265682214 1323318460 /nfs/dbraw/zinc/31/84/60/1323318460.db2.gz NGKBLAQLVDGPOS-QAPCUYQASA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCOCC[NH2+]C1CCC(NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001265733954 1323355503 /nfs/dbraw/zinc/35/55/03/1323355503.db2.gz JUSUILBYGFYOTC-DAWZGUTISA-N 1 3 337.508 2.079 10 30 EEEEHO CC#CC[NH2+]CCc1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001266086357 1323644698 /nfs/dbraw/zinc/64/46/98/1323644698.db2.gz LZWSAVVCZRQVNE-UHFFFAOYSA-N 1 3 343.515 2.436 10 30 EEEEHO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](F)CN(CC)CC)C2 ZINC001281088258 1324758473 /nfs/dbraw/zinc/75/84/73/1324758473.db2.gz RIGUXFQKSXJVEQ-SJLPKXTDSA-N 1 3 325.472 2.167 10 30 EEEEHO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](F)CN(CC)CC)C2 ZINC001281088258 1324758477 /nfs/dbraw/zinc/75/84/77/1324758477.db2.gz RIGUXFQKSXJVEQ-SJLPKXTDSA-N 1 3 325.472 2.167 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CC2=CCCCC2)CC1 ZINC001282498171 1325733675 /nfs/dbraw/zinc/73/36/75/1325733675.db2.gz WCFUBAYHDYQGLI-KRWDZBQOSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC2=CCCCC2)CC1 ZINC001282498171 1325733677 /nfs/dbraw/zinc/73/36/77/1325733677.db2.gz WCFUBAYHDYQGLI-KRWDZBQOSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CC[NH+]1CCC(C2(NC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CC2)CC1 ZINC001284846555 1326741902 /nfs/dbraw/zinc/74/19/02/1326741902.db2.gz QGEBQBZPGHMBAK-LJQANCHMSA-N 1 3 349.494 2.193 10 30 EEEEHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001492035285 1330458934 /nfs/dbraw/zinc/45/89/34/1330458934.db2.gz VOPRYJBCERCLAT-INIZCTEOSA-N 1 3 345.462 2.146 10 30 EEEEHO C=CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317384498 1332209704 /nfs/dbraw/zinc/20/97/04/1332209704.db2.gz XHBGZYMRECKBFK-KRWDZBQOSA-N 1 3 339.524 2.090 10 30 EEEEHO C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317384498 1332209706 /nfs/dbraw/zinc/20/97/06/1332209706.db2.gz XHBGZYMRECKBFK-KRWDZBQOSA-N 1 3 339.524 2.090 10 30 EEEEHO C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001318841811 1332608534 /nfs/dbraw/zinc/60/85/34/1332608534.db2.gz FQQPKCHOCIGJRX-RTBURBONSA-N 1 3 333.520 2.491 10 30 EEEEHO C=C(Br)CNCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001320450975 1332887247 /nfs/dbraw/zinc/88/72/47/1332887247.db2.gz SMSVHADUDRSQLE-UONOGXRCSA-N 1 3 346.313 2.254 10 30 EEEEHO C=C(Br)CNCC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001320450975 1332887248 /nfs/dbraw/zinc/88/72/48/1332887248.db2.gz SMSVHADUDRSQLE-UONOGXRCSA-N 1 3 346.313 2.254 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001325897960 1333987688 /nfs/dbraw/zinc/98/76/88/1333987688.db2.gz HKCIBVBAYHDHBE-GUDVDZBRSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCN1CCC ZINC001325897960 1333987693 /nfs/dbraw/zinc/98/76/93/1333987693.db2.gz HKCIBVBAYHDHBE-GUDVDZBRSA-N 1 3 349.519 2.129 10 30 EEEEHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001326411022 1334087685 /nfs/dbraw/zinc/08/76/85/1334087685.db2.gz GLLYUHOSSHKXLI-RHSMWYFYSA-N 1 3 348.516 2.288 10 30 EEEEHO C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001326488858 1334103129 /nfs/dbraw/zinc/10/31/29/1334103129.db2.gz APNPWXSNTACRAU-LPHOPBHVSA-N 1 3 327.472 2.461 10 30 EEEEHO C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCO1 ZINC001570973076 1343144453 /nfs/dbraw/zinc/14/44/53/1343144453.db2.gz KQVGQTXFYXIJRL-DLBZAZTESA-N 1 3 337.508 2.033 10 30 EEEEHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NCC#Cc1ccccc1 ZINC001676365138 1357141122 /nfs/dbraw/zinc/14/11/22/1357141122.db2.gz SQOVWZJIFGZXKF-UYAOXDASSA-N 1 3 341.499 2.349 10 30 EEEEHO C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NCC#Cc1ccccc1 ZINC001676365138 1357141124 /nfs/dbraw/zinc/14/11/24/1357141124.db2.gz SQOVWZJIFGZXKF-UYAOXDASSA-N 1 3 341.499 2.349 10 30 EEEEHO CC[N@@H+](CC#Cc1ccccc1)CCCNC(=O)CN(C)C1CCC1 ZINC001649437108 1353503346 /nfs/dbraw/zinc/50/33/46/1353503346.db2.gz LUEAHWUWRMZJIE-UHFFFAOYSA-N 1 3 341.499 2.351 10 30 EEEEHO CC[N@H+](CC#Cc1ccccc1)CCCNC(=O)CN(C)C1CCC1 ZINC001649437108 1353503350 /nfs/dbraw/zinc/50/33/50/1353503350.db2.gz LUEAHWUWRMZJIE-UHFFFAOYSA-N 1 3 341.499 2.351 10 30 EEEEHO CC(C)N(CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001649440184 1353505939 /nfs/dbraw/zinc/50/59/39/1353505939.db2.gz JXEPGFUQRTVCOD-HXUWFJFHSA-N 1 3 341.499 2.207 10 30 EEEEHO CC(C)N(CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001649440184 1353505944 /nfs/dbraw/zinc/50/59/44/1353505944.db2.gz JXEPGFUQRTVCOD-HXUWFJFHSA-N 1 3 341.499 2.207 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001664008639 1355073506 /nfs/dbraw/zinc/07/35/06/1355073506.db2.gz KSMVRRHFIGGBIN-RTBURBONSA-N 1 3 340.471 2.123 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001664008639 1355073514 /nfs/dbraw/zinc/07/35/14/1355073514.db2.gz KSMVRRHFIGGBIN-RTBURBONSA-N 1 3 340.471 2.123 10 30 EEEEHO C#CCC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001666323590 1355508888 /nfs/dbraw/zinc/50/88/88/1355508888.db2.gz UNVLCGFYPCXXNL-WGSAOQKQSA-N 1 3 327.472 2.402 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CNCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001699260964 1405304062 /nfs/dbraw/zinc/30/40/62/1405304062.db2.gz NWAYXIVYFONKMG-WFRZBGSESA-N 1 3 340.471 2.051 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CNCc2ccc(C#N)cc2)CC[N@H+]1C ZINC001699260964 1405304069 /nfs/dbraw/zinc/30/40/69/1405304069.db2.gz NWAYXIVYFONKMG-WFRZBGSESA-N 1 3 340.471 2.051 10 30 EEEEHO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001699805094 1405495689 /nfs/dbraw/zinc/49/56/89/1405495689.db2.gz LJHAXGGESLBJKA-FQEVSTJZSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001699805094 1405495694 /nfs/dbraw/zinc/49/56/94/1405495694.db2.gz LJHAXGGESLBJKA-FQEVSTJZSA-N 1 3 333.520 2.302 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940972590 779596353 /nfs/dbraw/zinc/59/63/53/779596353.db2.gz OBFJDWOMNVZZAP-ZWKOTPCHSA-N 1 3 333.520 2.348 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940972590 779596357 /nfs/dbraw/zinc/59/63/57/779596357.db2.gz OBFJDWOMNVZZAP-ZWKOTPCHSA-N 1 3 333.520 2.348 10 30 EEEEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001439619442 1092528033 /nfs/dbraw/zinc/52/80/33/1092528033.db2.gz FFVCALGYDKHNTQ-GOSISDBHSA-N 1 3 340.471 2.171 10 30 EEEEHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001439619442 1092528044 /nfs/dbraw/zinc/52/80/44/1092528044.db2.gz FFVCALGYDKHNTQ-GOSISDBHSA-N 1 3 340.471 2.171 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001445110001 1100349531 /nfs/dbraw/zinc/34/95/31/1100349531.db2.gz LSOZUHSQXNDRCH-OALUTQOASA-N 1 3 342.487 2.273 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCCC)CC1 ZINC001496920826 1101721200 /nfs/dbraw/zinc/72/12/00/1101721200.db2.gz ZZYALBGGBATTFC-MOPGFXCFSA-N 1 3 333.520 2.396 10 30 EEEEHO CC[C@H](CNC(=O)[C@H]1CCCN1C(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001494984687 1104629171 /nfs/dbraw/zinc/62/91/71/1104629171.db2.gz JYBNTQBZVBKDJI-RTBURBONSA-N 1 3 342.487 2.415 10 30 EEEEHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501145586 1113214400 /nfs/dbraw/zinc/21/44/00/1113214400.db2.gz CHLUEIFWZFNVHC-QFBILLFUSA-N 1 3 342.487 2.084 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001501199901 1113239093 /nfs/dbraw/zinc/23/90/93/1113239093.db2.gz HVRQWOGRLRQEEW-UHFFFAOYSA-N 1 3 341.499 2.358 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC001505760015 1114174157 /nfs/dbraw/zinc/17/41/57/1114174157.db2.gz FFZZXKXDQRCOAK-HOTGVXAUSA-N 1 3 345.462 2.154 10 30 EEEEHO C[C@@H](CCCNCc1ccccc1C#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001506938060 1114987502 /nfs/dbraw/zinc/98/75/02/1114987502.db2.gz JXKKVSCYIOOTDR-IRXDYDNUSA-N 1 3 342.487 2.275 10 30 EEEEHO C[C@@H](CCCNCc1ccccc1C#N)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001506938060 1114987506 /nfs/dbraw/zinc/98/75/06/1114987506.db2.gz JXKKVSCYIOOTDR-IRXDYDNUSA-N 1 3 342.487 2.275 10 30 EEEEHO C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C(C)C ZINC000417066707 466769030 /nfs/dbraw/zinc/76/90/30/466769030.db2.gz QZRLUGVTHJJCDK-AZUAARDMSA-N 1 3 348.535 2.470 10 30 EEEEHO C=CC[C@@]1(C(=O)NCCCN2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662679818 472201806 /nfs/dbraw/zinc/20/18/06/472201806.db2.gz CZLLAJREOFVRDS-FQEVSTJZSA-N 1 3 327.472 2.249 10 30 EEEEHO C=C(Br)CNCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485734902 1191914553 /nfs/dbraw/zinc/91/45/53/1191914553.db2.gz DJXDSTAXGUGICC-CYBMUJFWSA-N 1 3 346.313 2.111 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2c(C)cccc2C)CC1 ZINC001772517075 1176572151 /nfs/dbraw/zinc/57/21/51/1176572151.db2.gz CWQQPUVKVOMKFS-GOSISDBHSA-N 1 3 341.499 2.243 10 30 EEEEHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C ZINC001270569864 1185178680 /nfs/dbraw/zinc/17/86/80/1185178680.db2.gz ZZPZADJWCAKWNF-MAUKXSAKSA-N 1 3 349.906 2.374 10 30 EEEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001485828116 1193479390 /nfs/dbraw/zinc/47/93/90/1193479390.db2.gz UMGWDPMGMFRXEG-YJBOKZPZSA-N 1 3 325.472 2.212 10 30 EEEEHO C#CCN1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001671045356 1193553081 /nfs/dbraw/zinc/55/30/81/1193553081.db2.gz TUZJMQPIHOVYLW-HXUWFJFHSA-N 1 3 331.504 2.200 10 30 EEEEHO C#CCC[NH2+]C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001486412401 1193921467 /nfs/dbraw/zinc/92/14/67/1193921467.db2.gz WFLHMIIRGXYHHT-KXBFYZLASA-N 1 3 339.499 2.343 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001275572054 1205423059 /nfs/dbraw/zinc/42/30/59/1205423059.db2.gz SUGLWJOFHWFKFV-IRXDYDNUSA-N 1 3 333.520 2.395 10 30 EEEEHO C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)CN(CC)CC)C2 ZINC001278336026 1309553443 /nfs/dbraw/zinc/55/34/43/1309553443.db2.gz OBPLCLLYGJOQMO-MJGOQNOKSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)CN(CC)CC)C2 ZINC001278336026 1309553447 /nfs/dbraw/zinc/55/34/47/1309553447.db2.gz OBPLCLLYGJOQMO-MJGOQNOKSA-N 1 3 337.483 2.004 10 30 EEEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCOCC1 ZINC001278726543 1317883413 /nfs/dbraw/zinc/88/34/13/1317883413.db2.gz WOIVTHRVALNLRX-QGZVFWFLSA-N 1 3 337.508 2.080 10 30 EEEEHO C#CCN1CCC([C@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001278964207 1318854896 /nfs/dbraw/zinc/85/48/96/1318854896.db2.gz OWYIRPIJJKKGLN-IBGZPJMESA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCN1CCC([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001278964207 1318854924 /nfs/dbraw/zinc/85/49/24/1318854924.db2.gz OWYIRPIJJKKGLN-IBGZPJMESA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC2=CCCCC2)CC1 ZINC001282498172 1325733593 /nfs/dbraw/zinc/73/35/93/1325733593.db2.gz WCFUBAYHDYQGLI-QGZVFWFLSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC2=CCCCC2)CC1 ZINC001282498172 1325733595 /nfs/dbraw/zinc/73/35/95/1325733595.db2.gz WCFUBAYHDYQGLI-QGZVFWFLSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CC2CCCCCC2)CC1 ZINC001491682679 1330204401 /nfs/dbraw/zinc/20/44/01/1330204401.db2.gz NXROAMLORRGRKI-QGZVFWFLSA-N 1 3 333.520 2.396 10 30 EEEEHO C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1CC ZINC001317201158 1332129826 /nfs/dbraw/zinc/12/98/26/1332129826.db2.gz ZBIVNCURDDJXGC-ROUUACIJSA-N 1 3 337.508 2.034 10 30 EEEEHO C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001325655626 1333933943 /nfs/dbraw/zinc/93/39/43/1333933943.db2.gz HEYWYYPGGIBANC-GUDVDZBRSA-N 1 3 333.520 2.395 10 30 EEEEHO CCCN(C)CC(=O)N1CC[C@@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC001326417794 1334089499 /nfs/dbraw/zinc/08/94/99/1334089499.db2.gz FLLJGWKNURZZCJ-HXUWFJFHSA-N 1 3 341.499 2.208 10 30 EEEEHO C#CCN1C[C@]2(C)CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001330539393 1334866730 /nfs/dbraw/zinc/86/67/30/1334866730.db2.gz WFNWHRNVLFIRNQ-BGYRXZFFSA-N 1 3 331.504 2.056 10 30 EEEEHO C[C@H](CCCNCc1ccccc1C#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001330818174 1334908457 /nfs/dbraw/zinc/90/84/57/1334908457.db2.gz AEVRNRLFCMTGFA-GPMSIDNRSA-N 1 3 342.487 2.273 10 30 EEEEHO C[C@H](CCCNCc1ccccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001330818174 1334908460 /nfs/dbraw/zinc/90/84/60/1334908460.db2.gz AEVRNRLFCMTGFA-GPMSIDNRSA-N 1 3 342.487 2.273 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]C[C@H](F)CC)C(C)(C)C)CC1 ZINC001332898603 1335927037 /nfs/dbraw/zinc/92/70/37/1335927037.db2.gz KJAHHULMQGRSRO-SJORKVTESA-N 1 3 339.499 2.200 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCCC=C)C(C)(C)C)CC1 ZINC001332899562 1335927343 /nfs/dbraw/zinc/92/73/43/1335927343.db2.gz QUWZDTPONQWMBW-GOSISDBHSA-N 1 3 333.520 2.418 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCN(CC(C)C)CC1 ZINC001339067871 1336953330 /nfs/dbraw/zinc/95/33/30/1336953330.db2.gz HXTJTYLCMRMHOS-QGZVFWFLSA-N 1 3 346.523 2.051 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCN(CC(C)C)CC1 ZINC001339067871 1336953332 /nfs/dbraw/zinc/95/33/32/1336953332.db2.gz HXTJTYLCMRMHOS-QGZVFWFLSA-N 1 3 346.523 2.051 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001500292316 1342139373 /nfs/dbraw/zinc/13/93/73/1342139373.db2.gz IBTNOEWLAOMVAH-ROUKRRSUSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@]2(C)CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001500292316 1342139377 /nfs/dbraw/zinc/13/93/77/1342139377.db2.gz IBTNOEWLAOMVAH-ROUKRRSUSA-N 1 3 331.504 2.269 10 30 EEEEHO CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566905157 1342649843 /nfs/dbraw/zinc/64/98/43/1342649843.db2.gz NQGCXTIFFQKWKT-QFBILLFUSA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001691757449 1357523384 /nfs/dbraw/zinc/52/33/84/1357523384.db2.gz IOYSPXCEUPJHHP-CMKODMSKSA-N 1 3 347.547 2.498 10 30 EEEEHO C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCCN1CC)c1ccccc1 ZINC001664599923 1355197701 /nfs/dbraw/zinc/19/77/01/1355197701.db2.gz WHEIXJWBSIHOSP-RTBURBONSA-N 1 3 327.472 2.331 10 30 EEEEHO CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001667413125 1355737410 /nfs/dbraw/zinc/73/74/10/1355737410.db2.gz KKCQKVNLQODKJX-GOSISDBHSA-N 1 3 339.499 2.250 10 30 EEEEHO CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H](F)CN(CC)CC)CC1 ZINC001667413125 1355737412 /nfs/dbraw/zinc/73/74/12/1355737412.db2.gz KKCQKVNLQODKJX-GOSISDBHSA-N 1 3 339.499 2.250 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001672915951 1356614388 /nfs/dbraw/zinc/61/43/88/1356614388.db2.gz LFHGXACZXMIJDZ-OAHLLOKOSA-N 1 3 348.516 2.288 10 30 EEEEHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC#Cc1ccc(F)cc1 ZINC001698621853 1405012175 /nfs/dbraw/zinc/01/21/75/1405012175.db2.gz ZGGFRDFSSFSEOF-IEBWSBKVSA-N 1 3 345.462 2.003 10 30 EEEEHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC#Cc1ccc(F)cc1 ZINC001698621853 1405012182 /nfs/dbraw/zinc/01/21/82/1405012182.db2.gz ZGGFRDFSSFSEOF-IEBWSBKVSA-N 1 3 345.462 2.003 10 30 EEEEHO C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001480187505 1099780788 /nfs/dbraw/zinc/78/07/88/1099780788.db2.gz CURMBPIXQOIKIL-RTBURBONSA-N 1 3 333.520 2.445 10 30 EEEEHO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001480187505 1099780795 /nfs/dbraw/zinc/78/07/95/1099780795.db2.gz CURMBPIXQOIKIL-RTBURBONSA-N 1 3 333.520 2.445 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001445110006 1100349581 /nfs/dbraw/zinc/34/95/81/1100349581.db2.gz LSOZUHSQXNDRCH-RBUKOAKNSA-N 1 3 342.487 2.273 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC/C=C/CC)C2)CC1 ZINC001479349210 1110684737 /nfs/dbraw/zinc/68/47/37/1110684737.db2.gz YTYCDYALGMDLIM-BFFLEHSSSA-N 1 3 331.504 2.172 10 30 EEEEHO C=C(Cl)CN(CC)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001505400625 1113938297 /nfs/dbraw/zinc/93/82/97/1113938297.db2.gz XGLRJOVDWWKLJF-UHFFFAOYSA-N 1 3 339.911 2.395 10 30 EEEEHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC001506869073 1114940049 /nfs/dbraw/zinc/94/00/49/1114940049.db2.gz QFXJGHXHGJRWNT-YSIASYRMSA-N 1 3 333.520 2.465 10 30 EEEEHO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC001506869073 1114940053 /nfs/dbraw/zinc/94/00/53/1114940053.db2.gz QFXJGHXHGJRWNT-YSIASYRMSA-N 1 3 333.520 2.465 10 30 EEEEHO C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437213 468586764 /nfs/dbraw/zinc/58/67/64/468586764.db2.gz JFRXRYCHTFTACX-NXHRZFHOSA-N 1 3 328.460 2.349 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000597943365 468720293 /nfs/dbraw/zinc/72/02/93/468720293.db2.gz ZQFSNESPGWQQEF-IRXDYDNUSA-N 1 3 344.503 2.125 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000597943365 468720296 /nfs/dbraw/zinc/72/02/96/468720296.db2.gz ZQFSNESPGWQQEF-IRXDYDNUSA-N 1 3 344.503 2.125 10 30 EEEEHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@@H]3CCC[C@H]3C#N)CC2)CC1 ZINC000601817073 469039055 /nfs/dbraw/zinc/03/90/55/469039055.db2.gz LPCQKKSUZRYGKZ-PKOBYXMFSA-N 1 3 346.519 2.333 10 30 EEEEHO C=C(Br)CN[C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001417837014 1177057068 /nfs/dbraw/zinc/05/70/68/1177057068.db2.gz CVQFCAIWPXSKRM-CQSZACIVSA-N 1 3 346.313 2.208 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267092646 1178223027 /nfs/dbraw/zinc/22/30/27/1178223027.db2.gz DTIUOZJXCJMHAQ-VQTJNVASSA-N 1 3 341.499 2.395 10 30 EEEEHO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267685039 1180157357 /nfs/dbraw/zinc/15/73/57/1180157357.db2.gz XDSVTJPFKAOUSG-QFBILLFUSA-N 1 3 337.483 2.003 10 30 EEEEHO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267685039 1180157363 /nfs/dbraw/zinc/15/73/63/1180157363.db2.gz XDSVTJPFKAOUSG-QFBILLFUSA-N 1 3 337.483 2.003 10 30 EEEEHO C#CCC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001268138900 1181798360 /nfs/dbraw/zinc/79/83/60/1181798360.db2.gz AQAHQBNWYUBPPE-LPHOPBHVSA-N 1 3 327.472 2.212 10 30 EEEEHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1ccc(C#N)c(F)c1 ZINC001481845935 1182789231 /nfs/dbraw/zinc/78/92/31/1182789231.db2.gz PGQAKMUUUMFWNY-MRXNPFEDSA-N 1 3 346.450 2.024 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001482034150 1183182147 /nfs/dbraw/zinc/18/21/47/1183182147.db2.gz VTOFXRHIJRXQGT-IBGZPJMESA-N 1 3 327.472 2.289 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001482034150 1183182151 /nfs/dbraw/zinc/18/21/51/1183182151.db2.gz VTOFXRHIJRXQGT-IBGZPJMESA-N 1 3 327.472 2.289 10 30 EEEEHO C=CCCCCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001482194948 1183734367 /nfs/dbraw/zinc/73/43/67/1183734367.db2.gz IVFRGWLHNGTSOY-ROUUACIJSA-N 1 3 337.508 2.034 10 30 EEEEHO C=CCCCCCN1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001482194948 1183734372 /nfs/dbraw/zinc/73/43/72/1183734372.db2.gz IVFRGWLHNGTSOY-ROUUACIJSA-N 1 3 337.508 2.034 10 30 EEEEHO C=C(C)CN[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001284738500 1184753928 /nfs/dbraw/zinc/75/39/28/1184753928.db2.gz YZRQPCZGWAIZTG-KGLIPLIRSA-N 1 3 335.414 2.273 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001483096197 1188470339 /nfs/dbraw/zinc/47/03/39/1188470339.db2.gz AGWMTGVHGFMYJV-LKGOPFMKSA-N 1 3 339.483 2.355 10 30 EEEEHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001409406289 1189634333 /nfs/dbraw/zinc/63/43/33/1189634333.db2.gz LRKHWCBNJFMHMW-UONOGXRCSA-N 1 3 346.450 2.022 10 30 EEEEHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001272564543 1190880106 /nfs/dbraw/zinc/88/01/06/1190880106.db2.gz HGYZPYLXCAUWMN-APWZRJJASA-N 1 3 342.487 2.227 10 30 EEEEHO C=CCCCN1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001484822261 1191541032 /nfs/dbraw/zinc/54/10/32/1191541032.db2.gz DHERQOZJVCIUAV-LJQANCHMSA-N 1 3 329.488 2.447 10 30 EEEEHO CN(C(=O)CC[NH+](C)C)C1CC(NCC#Cc2ccc(Cl)cc2)C1 ZINC001486475847 1193989240 /nfs/dbraw/zinc/98/92/40/1193989240.db2.gz ZEIJMLXVBIJNGL-UHFFFAOYSA-N 1 3 347.890 2.222 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001273204496 1197516177 /nfs/dbraw/zinc/51/61/77/1197516177.db2.gz LJUYIGFRAJPBBR-VQIMIIECSA-N 1 3 342.487 2.417 10 30 EEEEHO C=CCC[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000883176077 1202025958 /nfs/dbraw/zinc/02/59/58/1202025958.db2.gz VBIXYEYTBARRKO-HBFSDRIKSA-N 1 3 330.472 2.371 10 30 EEEEHO C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273823976 1286464344 /nfs/dbraw/zinc/46/43/44/1286464344.db2.gz GHEOLNFOGHIXKA-PMACEKPBSA-N 1 3 341.499 2.447 10 30 EEEEHO C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001273823976 1286464348 /nfs/dbraw/zinc/46/43/48/1286464348.db2.gz GHEOLNFOGHIXKA-PMACEKPBSA-N 1 3 341.499 2.447 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCF)[C@@H]2C)CC1 ZINC001489311946 1290540589 /nfs/dbraw/zinc/54/05/89/1290540589.db2.gz PRSKVQFLEYOPTJ-AEFFLSMTSA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCF)[C@@H]2C)CC1 ZINC001489311946 1290540598 /nfs/dbraw/zinc/54/05/98/1290540598.db2.gz PRSKVQFLEYOPTJ-AEFFLSMTSA-N 1 3 337.483 2.050 10 30 EEEEHO CN(CC(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C1CC1)C1CCC1 ZINC001490673950 1291557897 /nfs/dbraw/zinc/55/78/97/1291557897.db2.gz NANCWDKPDWWWKY-HXUWFJFHSA-N 1 3 339.483 2.007 10 30 EEEEHO C=CCOCCN1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001278516180 1317081296 /nfs/dbraw/zinc/08/12/96/1317081296.db2.gz OWXVSTVIPFWKFR-ZWKOTPCHSA-N 1 3 349.519 2.034 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001265147826 1322948862 /nfs/dbraw/zinc/94/88/62/1322948862.db2.gz LVYVAJUNEXRBAZ-UHFFFAOYSA-N 1 3 347.425 2.112 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@H+](CC)CCC(F)(F)F)CC1 ZINC001265147826 1322948866 /nfs/dbraw/zinc/94/88/66/1322948866.db2.gz LVYVAJUNEXRBAZ-UHFFFAOYSA-N 1 3 347.425 2.112 10 30 EEEEHO CCCN(C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266074628 1323630019 /nfs/dbraw/zinc/63/00/19/1323630019.db2.gz CAFKOOBFXZGZNT-UXHICEINSA-N 1 3 341.499 2.397 10 30 EEEEHO C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC001282991991 1325870871 /nfs/dbraw/zinc/87/08/71/1325870871.db2.gz DJFBZVORJIJDNP-ZYSHUDEJSA-N 1 3 330.476 2.477 10 30 EEEEHO C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC001282991991 1325870874 /nfs/dbraw/zinc/87/08/74/1325870874.db2.gz DJFBZVORJIJDNP-ZYSHUDEJSA-N 1 3 330.476 2.477 10 30 EEEEHO CC#CC[NH2+][C@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001283456926 1326080023 /nfs/dbraw/zinc/08/00/23/1326080023.db2.gz KALQITBIXJSXRN-VQIMIIECSA-N 1 3 339.499 2.343 10 30 EEEEHO C[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)CN1C(=O)CCC[NH+](C)C ZINC001284005010 1326358994 /nfs/dbraw/zinc/35/89/94/1326358994.db2.gz VBRPWGMZDNOXJG-QFBILLFUSA-N 1 3 345.462 2.098 10 30 EEEEHO C=CCN[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001284736478 1326689343 /nfs/dbraw/zinc/68/93/43/1326689343.db2.gz HKLRVODFDHQCDV-CABCVRRESA-N 1 3 347.425 2.417 10 30 EEEEHO C=CCN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001284736490 1326689459 /nfs/dbraw/zinc/68/94/59/1326689459.db2.gz HKLRVODFDHQCDV-LSDHHAIUSA-N 1 3 347.425 2.417 10 30 EEEEHO C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001319888933 1332792849 /nfs/dbraw/zinc/79/28/49/1332792849.db2.gz DPFWDDPAQHQKEC-LJQANCHMSA-N 1 3 333.520 2.445 10 30 EEEEHO C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001319888933 1332792851 /nfs/dbraw/zinc/79/28/51/1332792851.db2.gz DPFWDDPAQHQKEC-LJQANCHMSA-N 1 3 333.520 2.445 10 30 EEEEHO C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001326488860 1334103146 /nfs/dbraw/zinc/10/31/46/1334103146.db2.gz APNPWXSNTACRAU-VQIMIIECSA-N 1 3 327.472 2.461 10 30 EEEEHO C#CCN(C)CCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001564848000 1342551061 /nfs/dbraw/zinc/55/10/61/1342551061.db2.gz XZBWCFXQQMZBHY-SFHVURJKSA-N 1 3 334.508 2.038 10 30 EEEEHO C#CCN(C)CCCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001564848000 1342551064 /nfs/dbraw/zinc/55/10/64/1342551064.db2.gz XZBWCFXQQMZBHY-SFHVURJKSA-N 1 3 334.508 2.038 10 30 EEEEHO CC#CCN1CCC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001677364239 1357321519 /nfs/dbraw/zinc/32/15/19/1357321519.db2.gz YAXNAMVDMCXLFD-ZWKOTPCHSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2CCCC)CC1 ZINC001663123819 1354922991 /nfs/dbraw/zinc/92/29/91/1354922991.db2.gz LCXNWYWOZKKYGM-LJQANCHMSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCCC)CC1 ZINC001663123819 1354922993 /nfs/dbraw/zinc/92/29/93/1354922993.db2.gz LCXNWYWOZKKYGM-LJQANCHMSA-N 1 3 333.520 2.493 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001666673847 1355563550 /nfs/dbraw/zinc/56/35/50/1355563550.db2.gz XKBRMGCYABKFOJ-INIZCTEOSA-N 1 3 349.906 2.374 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001667771886 1355812139 /nfs/dbraw/zinc/81/21/39/1355812139.db2.gz USHIAQXHJSHUNZ-PMACEKPBSA-N 1 3 341.499 2.253 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001668517005 1355956145 /nfs/dbraw/zinc/95/61/45/1355956145.db2.gz JXFRBQFERHAGSE-UHFFFAOYSA-N 1 3 348.516 2.432 10 30 EEEEHO CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001692119780 1404980900 /nfs/dbraw/zinc/98/09/00/1404980900.db2.gz KMRSRNPFTIANSS-IPMKNSEASA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC=C)CC2(C)C)CC1 ZINC000941238725 780227516 /nfs/dbraw/zinc/22/75/16/780227516.db2.gz CBRYPWZACGNGFK-SFHVURJKSA-N 1 3 331.504 2.124 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC=C)CC2(C)C)CC1 ZINC000941238725 780227521 /nfs/dbraw/zinc/22/75/21/780227521.db2.gz CBRYPWZACGNGFK-SFHVURJKSA-N 1 3 331.504 2.124 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001439113774 1091758454 /nfs/dbraw/zinc/75/84/54/1091758454.db2.gz ACQYPQNKEUVWPZ-CJNGLKHVSA-N 1 3 334.489 2.088 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001439113774 1091758461 /nfs/dbraw/zinc/75/84/61/1091758461.db2.gz ACQYPQNKEUVWPZ-CJNGLKHVSA-N 1 3 334.489 2.088 10 30 EEEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001448505403 1093531657 /nfs/dbraw/zinc/53/16/57/1093531657.db2.gz ZBWKBHHAEWPKNN-SHTZXODSSA-N 1 3 325.884 2.099 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC(=C)C)CC1 ZINC001498502075 1107644061 /nfs/dbraw/zinc/64/40/61/1107644061.db2.gz FJKQZVVLIZADIU-MOPGFXCFSA-N 1 3 331.504 2.172 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCCCC)C[C@H]32)CC1 ZINC001506828401 1114898628 /nfs/dbraw/zinc/89/86/28/1114898628.db2.gz NULVCICXCRAGLD-OWZKRDHZSA-N 1 3 345.531 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCCCC)C[C@H]32)CC1 ZINC001506828401 1114898630 /nfs/dbraw/zinc/89/86/30/1114898630.db2.gz NULVCICXCRAGLD-OWZKRDHZSA-N 1 3 345.531 2.206 10 30 EEEEHO C#CCCN1CC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001568253965 1124388270 /nfs/dbraw/zinc/38/82/70/1124388270.db2.gz VJEJMAWIDAJMCI-UHFFFAOYSA-N 1 3 331.504 2.200 10 30 EEEEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C ZINC001568646128 1124658365 /nfs/dbraw/zinc/65/83/65/1124658365.db2.gz NHVVLLPMNGYISI-CXAGYDPISA-N 1 3 334.439 2.022 10 30 EEEEHO N#Cc1ccc(OC[C@@H](O)CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047970431 462844379 /nfs/dbraw/zinc/84/43/79/462844379.db2.gz LMYPTMHUDFBQCF-IBGZPJMESA-N 1 3 343.471 2.106 10 30 EEEEHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)CC1 ZINC000566631340 468155867 /nfs/dbraw/zinc/15/58/67/468155867.db2.gz VVVZWXZNXSIHSX-WMZOPIPTSA-N 1 3 346.519 2.381 10 30 EEEEHO CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000594435411 468585321 /nfs/dbraw/zinc/58/53/21/468585321.db2.gz DVQVIVVECNYHKK-MSOLQXFVSA-N 1 3 328.460 2.131 10 30 EEEEHO C[NH2+]CCCC(=O)N1CCC(N[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000596652790 469323181 /nfs/dbraw/zinc/32/31/81/469323181.db2.gz HWXKGWMRLIDLRR-CQSZACIVSA-N 1 3 346.450 2.339 10 30 EEEEHO C[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261940452 682497551 /nfs/dbraw/zinc/49/75/51/682497551.db2.gz DLILBJZXRLYOIF-IUODEOHRSA-N 1 3 337.537 2.196 10 30 EEEEHO CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)CN2CC[C@@H](C)C2)cc1 ZINC001272700463 1191863561 /nfs/dbraw/zinc/86/35/61/1191863561.db2.gz JQBZQPUSQRTKKZ-IAGOWNOFSA-N 1 3 327.472 2.319 10 30 EEEEHO CC#CCN1CCC([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001279111344 1177259004 /nfs/dbraw/zinc/25/90/04/1177259004.db2.gz KKWVXSAQYICPOK-GOSISDBHSA-N 1 3 333.520 2.493 10 30 EEEEHO CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001266878898 1177691103 /nfs/dbraw/zinc/69/11/03/1177691103.db2.gz MMDVAXXZNOCYBE-QFBILLFUSA-N 1 3 337.483 2.193 10 30 EEEEHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001267592764 1179584053 /nfs/dbraw/zinc/58/40/53/1179584053.db2.gz YDNCVPIUOLBBMM-HXUWFJFHSA-N 1 3 341.499 2.160 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)CC#Cc2ccccc2)C1 ZINC001267592764 1179584058 /nfs/dbraw/zinc/58/40/58/1179584058.db2.gz YDNCVPIUOLBBMM-HXUWFJFHSA-N 1 3 341.499 2.160 10 30 EEEEHO C#CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001268138902 1181798401 /nfs/dbraw/zinc/79/84/01/1181798401.db2.gz AQAHQBNWYUBPPE-VQIMIIECSA-N 1 3 327.472 2.212 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)N(C)C ZINC001268397863 1182484246 /nfs/dbraw/zinc/48/42/46/1182484246.db2.gz DEDGATXPHJHGLU-KBXCAEBGSA-N 1 3 348.466 2.268 10 30 EEEEHO C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001482015833 1183134008 /nfs/dbraw/zinc/13/40/08/1183134008.db2.gz JUSUILBYGFYOTC-BZSNNMDCSA-N 1 3 337.508 2.079 10 30 EEEEHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001482552275 1186669334 /nfs/dbraw/zinc/66/93/34/1186669334.db2.gz CMHGZSREODYAOK-QUCCMNQESA-N 1 3 341.499 2.110 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001485229757 1191698713 /nfs/dbraw/zinc/69/87/13/1191698713.db2.gz LHFIPXHSGDPCQS-LSDHHAIUSA-N 1 3 333.501 2.076 10 30 EEEEHO C#CC[NH+]1CCC2(CCN(C(=O)CN(C)CC(C)(C)C)CC2)CC1 ZINC001274885233 1205196752 /nfs/dbraw/zinc/19/67/52/1205196752.db2.gz GHGZVACJXHPOTP-UHFFFAOYSA-N 1 3 333.520 2.302 10 30 EEEEHO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001263842276 1322534543 /nfs/dbraw/zinc/53/45/43/1322534543.db2.gz MOWGMQYEKNRKNS-MAEOIBBWSA-N 1 3 347.890 2.128 10 30 EEEEHO CC#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001266088062 1323645208 /nfs/dbraw/zinc/64/52/08/1323645208.db2.gz KXNPAJTXSGXXSL-FQEVSTJZSA-N 1 3 341.499 2.333 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cc(F)ccc2C)CC1 ZINC001322087285 1333207265 /nfs/dbraw/zinc/20/72/65/1333207265.db2.gz GTCKDYMWRLJDFV-INIZCTEOSA-N 1 3 345.462 2.074 10 30 EEEEHO C#CCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001323736524 1333527911 /nfs/dbraw/zinc/52/79/11/1333527911.db2.gz QYJIDJHDRWUMIA-UHFFFAOYSA-N 1 3 345.531 2.445 10 30 EEEEHO C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001323736524 1333527912 /nfs/dbraw/zinc/52/79/12/1333527912.db2.gz QYJIDJHDRWUMIA-UHFFFAOYSA-N 1 3 345.531 2.445 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001325703045 1333943962 /nfs/dbraw/zinc/94/39/62/1333943962.db2.gz VRBZXSFYTQWTOW-UXHICEINSA-N 1 3 339.483 2.255 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001325703045 1333943965 /nfs/dbraw/zinc/94/39/65/1333943965.db2.gz VRBZXSFYTQWTOW-UXHICEINSA-N 1 3 339.483 2.255 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H](Cc2ccccc2)[NH2+]CC)CC1 ZINC001571529200 1343230281 /nfs/dbraw/zinc/23/02/81/1343230281.db2.gz YVNFZVBPEHMDPG-FQEVSTJZSA-N 1 3 341.499 2.059 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001666345254 1355514752 /nfs/dbraw/zinc/51/47/52/1355514752.db2.gz YUKUCLUKJVCIRE-FQEVSTJZSA-N 1 3 345.462 2.238 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC001666345254 1355514754 /nfs/dbraw/zinc/51/47/54/1355514754.db2.gz YUKUCLUKJVCIRE-FQEVSTJZSA-N 1 3 345.462 2.238 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2cccc(F)c2)CC1 ZINC001666672802 1355563495 /nfs/dbraw/zinc/56/34/95/1355563495.db2.gz KAGHKTPBOLGQKE-MRXNPFEDSA-N 1 3 345.462 2.013 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]C/C=C\c2ccccc2)CC1 ZINC001669750702 1356203398 /nfs/dbraw/zinc/20/33/98/1356203398.db2.gz OCEQCZZIKAWAAI-VOCYLRNQSA-N 1 3 339.483 2.139 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001674771920 1356893049 /nfs/dbraw/zinc/89/30/49/1356893049.db2.gz COUBZSHOFQFBGV-DLBZAZTESA-N 1 3 333.520 2.395 10 30 EEEEHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001699383522 1405344667 /nfs/dbraw/zinc/34/46/67/1405344667.db2.gz UAUQYRMUZLYZDP-OAHLLOKOSA-N 1 3 335.879 2.128 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1 ZINC001699383522 1405344675 /nfs/dbraw/zinc/34/46/75/1405344675.db2.gz UAUQYRMUZLYZDP-OAHLLOKOSA-N 1 3 335.879 2.128 10 30 EEEEHO C#C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC000820086502 785784227 /nfs/dbraw/zinc/78/42/27/785784227.db2.gz GHQWRIDBKGEKEX-MAUKXSAKSA-N 1 3 348.466 2.071 10 30 EEEEHO C#C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(F)cc1 ZINC000820086502 785784234 /nfs/dbraw/zinc/78/42/34/785784234.db2.gz GHQWRIDBKGEKEX-MAUKXSAKSA-N 1 3 348.466 2.071 10 30 EEEEHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1ccc(C#N)s1 ZINC001441914642 1096092130 /nfs/dbraw/zinc/09/21/30/1096092130.db2.gz LMNIODDQSLYUNL-ZDUSSCGKSA-N 1 3 334.489 2.088 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001494178977 1103653386 /nfs/dbraw/zinc/65/33/86/1103653386.db2.gz OMYCLQGJUZQXNX-IBGZPJMESA-N 1 3 342.487 2.179 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001494178977 1103653390 /nfs/dbraw/zinc/65/33/90/1103653390.db2.gz OMYCLQGJUZQXNX-IBGZPJMESA-N 1 3 342.487 2.179 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCC=C)C2)CC1 ZINC001480709757 1106932303 /nfs/dbraw/zinc/93/23/03/1106932303.db2.gz MUORRGFECTVZHE-OALUTQOASA-N 1 3 331.504 2.315 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001498197904 1107066415 /nfs/dbraw/zinc/06/64/15/1107066415.db2.gz ZUISGNBSPAWSNK-KSSFIOAISA-N 1 3 346.450 2.166 10 30 EEEEHO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568393373 1124463662 /nfs/dbraw/zinc/46/36/62/1124463662.db2.gz KRIMVNWVLVYSBU-APWZRJJASA-N 1 3 337.483 2.193 10 30 EEEEHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC1CC[NH+](C)CC1 ZINC000273218364 256277705 /nfs/dbraw/zinc/27/77/05/256277705.db2.gz MLIHWULHJKGJNO-UHFFFAOYSA-N 1 3 342.487 2.180 10 30 EEEEHO C=CC[C@]1(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CCC[NH2+]1 ZINC000662799936 472257877 /nfs/dbraw/zinc/25/78/77/472257877.db2.gz AXHJGHYWJMSOGW-OXJNMPFZSA-N 1 3 342.487 2.422 10 30 EEEEHO C#CCN1CCC(Nc2cc[nH+]c3cc(OC)c(OC)cc23)CC1 ZINC000895812566 684733736 /nfs/dbraw/zinc/73/37/36/684733736.db2.gz SAJSJDHKMZGESV-UHFFFAOYSA-N 1 3 325.412 2.183 10 30 EEEEHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001267152457 1178333136 /nfs/dbraw/zinc/33/31/36/1178333136.db2.gz MYYFKRJVWKOGHQ-QAPCUYQASA-N 1 3 333.451 2.002 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001267233352 1178560073 /nfs/dbraw/zinc/56/00/73/1178560073.db2.gz SKIMSTZBRMCWPI-FQEVSTJZSA-N 1 3 339.483 2.067 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC001267233352 1178560075 /nfs/dbraw/zinc/56/00/75/1178560075.db2.gz SKIMSTZBRMCWPI-FQEVSTJZSA-N 1 3 339.483 2.067 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001482845066 1187764644 /nfs/dbraw/zinc/76/46/44/1187764644.db2.gz NWDZIZCPEVTNKZ-KSSFIOAISA-N 1 3 348.466 2.268 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC001649097865 1193513894 /nfs/dbraw/zinc/51/38/94/1193513894.db2.gz HROFEIWOYZQQQB-GJZGRUSLSA-N 1 3 349.862 2.300 10 30 EEEEHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001272474478 1190839768 /nfs/dbraw/zinc/83/97/68/1190839768.db2.gz HGYZPYLXCAUWMN-VQIMIIECSA-N 1 3 342.487 2.227 10 30 EEEEHO C=CCC[NH2+]C1(CNC(=O)[C@H](C)N2CCCCCC2)CCOCC1 ZINC001484189517 1191265246 /nfs/dbraw/zinc/26/52/46/1191265246.db2.gz OIERLUXGNKNVSI-KRWDZBQOSA-N 1 3 337.508 2.082 10 30 EEEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001484558384 1191414801 /nfs/dbraw/zinc/41/48/01/1191414801.db2.gz FIPFLDPNJCJGPU-QFBILLFUSA-N 1 3 327.472 2.461 10 30 EEEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001484558384 1191414803 /nfs/dbraw/zinc/41/48/03/1191414803.db2.gz FIPFLDPNJCJGPU-QFBILLFUSA-N 1 3 327.472 2.461 10 30 EEEEHO C#CCN(C(=O)NCCC1CC[NH+](C(C)C)CC1)C1CCN(C)CC1 ZINC000923630555 1197742719 /nfs/dbraw/zinc/74/27/19/1197742719.db2.gz GJRXUYASKHZPIG-UHFFFAOYSA-N 1 3 348.535 2.236 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000876850352 1199795462 /nfs/dbraw/zinc/79/54/62/1199795462.db2.gz PLUCUZYCANLDQP-HNNXBMFYSA-N 1 3 345.821 2.325 10 30 EEEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000876898236 1199811418 /nfs/dbraw/zinc/81/14/18/1199811418.db2.gz PWOFRVOKBGLXMJ-CZUORRHYSA-N 1 3 336.867 2.193 10 30 EEEEHO C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001275459634 1205370630 /nfs/dbraw/zinc/37/06/30/1205370630.db2.gz HXPLOXAZRIMPEQ-MSOLQXFVSA-N 1 3 341.499 2.395 10 30 EEEEHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(CCOCCC#N)C2)ccn1 ZINC000856604804 1293579122 /nfs/dbraw/zinc/57/91/22/1293579122.db2.gz RJTNDIIUCUPCCE-IBGZPJMESA-N 1 3 346.475 2.305 10 30 EEEEHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(CCOCCC#N)C2)ccn1 ZINC000856604804 1293579130 /nfs/dbraw/zinc/57/91/30/1293579130.db2.gz RJTNDIIUCUPCCE-IBGZPJMESA-N 1 3 346.475 2.305 10 30 EEEEHO C#CC[C@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000862573866 1295885934 /nfs/dbraw/zinc/88/59/34/1295885934.db2.gz FWKUFGKLFIKGAR-KRWDZBQOSA-N 1 3 331.504 2.055 10 30 EEEEHO CC[C@@H](C(=O)NCCC[N@H+](CC)CC#Cc1ccc(F)cc1)N(C)C ZINC001265143124 1322945260 /nfs/dbraw/zinc/94/52/60/1322945260.db2.gz XYVJZJYELBWDCA-IBGZPJMESA-N 1 3 347.478 2.346 10 30 EEEEHO CC[C@@H](C(=O)NCCC[N@@H+](CC)CC#Cc1ccc(F)cc1)N(C)C ZINC001265143124 1322945263 /nfs/dbraw/zinc/94/52/63/1322945263.db2.gz XYVJZJYELBWDCA-IBGZPJMESA-N 1 3 347.478 2.346 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001491682532 1330204480 /nfs/dbraw/zinc/20/44/80/1330204480.db2.gz MRVGVQSEFXEAQR-BBRMVZONSA-N 1 3 334.489 2.088 10 30 EEEEHO CC#CCN1CCC2(C[C@H](C)N(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001316670330 1330412897 /nfs/dbraw/zinc/41/28/97/1330412897.db2.gz VVCOMGUUFAAFDO-SFHVURJKSA-N 1 3 333.520 2.445 10 30 EEEEHO CC#CCN1CCC2(C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001316670330 1330412901 /nfs/dbraw/zinc/41/29/01/1330412901.db2.gz VVCOMGUUFAAFDO-SFHVURJKSA-N 1 3 333.520 2.445 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2CC(=C)C)CC1 ZINC001492178950 1331057786 /nfs/dbraw/zinc/05/77/86/1331057786.db2.gz SQIYORTVCZDLDZ-IBGZPJMESA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CC(=C)C)CC1 ZINC001492178950 1331057793 /nfs/dbraw/zinc/05/77/93/1331057793.db2.gz SQIYORTVCZDLDZ-IBGZPJMESA-N 1 3 331.504 2.269 10 30 EEEEHO CC#CCN(CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001316921339 1331987718 /nfs/dbraw/zinc/98/77/18/1331987718.db2.gz YIZIIGAITKCCRC-LJQANCHMSA-N 1 3 331.504 2.387 10 30 EEEEHO CC#CCN(CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001316921339 1331987720 /nfs/dbraw/zinc/98/77/20/1331987720.db2.gz YIZIIGAITKCCRC-LJQANCHMSA-N 1 3 331.504 2.387 10 30 EEEEHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC#Cc1cccc(Cl)c1 ZINC001318603237 1332566339 /nfs/dbraw/zinc/56/63/39/1332566339.db2.gz OGUVTBZURNEXEU-SJLPKXTDSA-N 1 3 347.890 2.128 10 30 EEEEHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC#Cc1cccc(Cl)c1 ZINC001318603237 1332566342 /nfs/dbraw/zinc/56/63/42/1332566342.db2.gz OGUVTBZURNEXEU-SJLPKXTDSA-N 1 3 347.890 2.128 10 30 EEEEHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCC#Cc1ccccc1 ZINC001319859846 1332786115 /nfs/dbraw/zinc/78/61/15/1332786115.db2.gz CBQNASRFIKSKNB-UYAOXDASSA-N 1 3 341.499 2.207 10 30 EEEEHO C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001320445142 1332884745 /nfs/dbraw/zinc/88/47/45/1332884745.db2.gz FSPLAVAOOOGDPG-INIZCTEOSA-N 1 3 345.462 2.146 10 30 EEEEHO C[C@H](CCNCc1ccccc1C#N)NC(=O)CC[NH+]1CCCCC1 ZINC001320645177 1332928097 /nfs/dbraw/zinc/92/80/97/1332928097.db2.gz QFUINKPLBGNDRI-QGZVFWFLSA-N 1 3 342.487 2.419 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001323098430 1333385231 /nfs/dbraw/zinc/38/52/31/1333385231.db2.gz CKYVLMUBUDZVIA-WOJBJXKFSA-N 1 3 341.499 2.109 10 30 EEEEHO C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CN1C(=O)CCCC[NH+](C)C ZINC001332044872 1335712624 /nfs/dbraw/zinc/71/26/24/1335712624.db2.gz CUJSLJZIPMHCHL-CABCVRRESA-N 1 3 348.516 2.431 10 30 EEEEHO CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001569528757 1342893250 /nfs/dbraw/zinc/89/32/50/1342893250.db2.gz YHPQVXIFQDKJBF-APWZRJJASA-N 1 3 327.472 2.354 10 30 EEEEHO CC#CCN1C[C@]2(C)CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001571064284 1343159313 /nfs/dbraw/zinc/15/93/13/1343159313.db2.gz OFEWRDXESCRSBZ-YSIASYRMSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCCC)C2)CC1 ZINC001676974658 1357253377 /nfs/dbraw/zinc/25/33/77/1357253377.db2.gz LLBDUBQEWCTUEI-PKOBYXMFSA-N 1 3 333.520 2.396 10 30 EEEEHO C[NH+](C)CCC(=O)NCCC[C@@H]1CCCN1Cc1ccccc1C#N ZINC001663103645 1354914871 /nfs/dbraw/zinc/91/48/71/1354914871.db2.gz CZECTYQIWXJPDS-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001664241854 1355120312 /nfs/dbraw/zinc/12/03/12/1355120312.db2.gz XCDPWRDIGAXHBV-RHSMWYFYSA-N 1 3 346.500 2.185 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001664241854 1355120314 /nfs/dbraw/zinc/12/03/14/1355120314.db2.gz XCDPWRDIGAXHBV-RHSMWYFYSA-N 1 3 346.500 2.185 10 30 EEEEHO CC#CCNC[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001671337285 1356329800 /nfs/dbraw/zinc/32/98/00/1356329800.db2.gz FLZFXSFEMAHSNN-RBUKOAKNSA-N 1 3 331.504 2.387 10 30 EEEEHO CC#CCNC[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001671337285 1356329803 /nfs/dbraw/zinc/32/98/03/1356329803.db2.gz FLZFXSFEMAHSNN-RBUKOAKNSA-N 1 3 331.504 2.387 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CNCc2cccc(C#N)c2)CC[N@@H+]1C ZINC001699258783 1405299805 /nfs/dbraw/zinc/29/98/05/1405299805.db2.gz FJIJWHNMTAXETO-WFRZBGSESA-N 1 3 340.471 2.051 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC/C=C\CNCc2cccc(C#N)c2)CC[N@H+]1C ZINC001699258783 1405299810 /nfs/dbraw/zinc/29/98/10/1405299810.db2.gz FJIJWHNMTAXETO-WFRZBGSESA-N 1 3 340.471 2.051 10 30 EEEEHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001436421800 1087785207 /nfs/dbraw/zinc/78/52/07/1087785207.db2.gz JNTGTRBCHSENBI-VBQJREDUSA-N 1 3 348.516 2.334 10 30 EEEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C(F)(F)F ZINC001479626008 1098650569 /nfs/dbraw/zinc/65/05/69/1098650569.db2.gz SMFPXOUSKLESJS-GXTWGEPZSA-N 1 3 344.381 2.145 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1CC ZINC001479639821 1098668369 /nfs/dbraw/zinc/66/83/69/1098668369.db2.gz ONZNLWDPUKSXFU-DLBZAZTESA-N 1 3 337.508 2.033 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)[C@H]1CC ZINC001479639821 1098668373 /nfs/dbraw/zinc/66/83/73/1098668373.db2.gz ONZNLWDPUKSXFU-DLBZAZTESA-N 1 3 337.508 2.033 10 30 EEEEHO CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001495389102 1101108437 /nfs/dbraw/zinc/10/84/37/1101108437.db2.gz BVBXYWDWJZNXLZ-MOPGFXCFSA-N 1 3 333.520 2.491 10 30 EEEEHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001496785419 1101464013 /nfs/dbraw/zinc/46/40/13/1101464013.db2.gz IYVHXAIOPNUVJT-MOPGFXCFSA-N 1 3 329.488 2.298 10 30 EEEEHO C=C(C)CN(C)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001496785419 1101464022 /nfs/dbraw/zinc/46/40/22/1101464022.db2.gz IYVHXAIOPNUVJT-MOPGFXCFSA-N 1 3 329.488 2.298 10 30 EEEEHO C[C@@H](CCNCc1cc(C#N)ccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497257995 1102207205 /nfs/dbraw/zinc/20/72/05/1102207205.db2.gz ZTVPVIWECRMUJR-AWEZNQCLSA-N 1 3 346.450 2.024 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001502985906 1113867167 /nfs/dbraw/zinc/86/71/67/1113867167.db2.gz IQLMPBYKRDCFFQ-SJORKVTESA-N 1 3 339.524 2.136 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001502985906 1113867171 /nfs/dbraw/zinc/86/71/71/1113867171.db2.gz IQLMPBYKRDCFFQ-SJORKVTESA-N 1 3 339.524 2.136 10 30 EEEEHO CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001507426055 1115262465 /nfs/dbraw/zinc/26/24/65/1115262465.db2.gz DZHJFPZPYZLMPA-QFBILLFUSA-N 1 3 327.472 2.260 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568279100 1124401013 /nfs/dbraw/zinc/40/10/13/1124401013.db2.gz IWGIIWASYBKMDE-AZUAARDMSA-N 1 3 341.499 2.349 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001568279100 1124401017 /nfs/dbraw/zinc/40/10/17/1124401017.db2.gz IWGIIWASYBKMDE-AZUAARDMSA-N 1 3 341.499 2.349 10 30 EEEEHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001568539736 1124600876 /nfs/dbraw/zinc/60/08/76/1124600876.db2.gz FMRPRCKUAFOWDG-WOJBJXKFSA-N 1 3 341.499 2.254 10 30 EEEEHO C=CC[C@H](CO)C[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC000341272324 465086422 /nfs/dbraw/zinc/08/64/22/465086422.db2.gz NVEKUQMUWSGINN-SFHVURJKSA-N 1 3 331.504 2.493 10 30 EEEEHO N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000600721947 468635268 /nfs/dbraw/zinc/63/52/68/468635268.db2.gz OCFKAVIFAYIATB-MOPGFXCFSA-N 1 3 327.472 2.195 10 30 EEEEHO N#CC1(C[C@H](O)CNC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000600721947 468635272 /nfs/dbraw/zinc/63/52/72/468635272.db2.gz OCFKAVIFAYIATB-MOPGFXCFSA-N 1 3 327.472 2.195 10 30 EEEEHO N#CC1(C[C@H](O)CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000600721947 468635274 /nfs/dbraw/zinc/63/52/74/468635274.db2.gz OCFKAVIFAYIATB-MOPGFXCFSA-N 1 3 327.472 2.195 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602574569 469367411 /nfs/dbraw/zinc/36/74/11/469367411.db2.gz BNTQLUAGQDRSEG-MSOLQXFVSA-N 1 3 328.460 2.036 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602574569 469367414 /nfs/dbraw/zinc/36/74/14/469367414.db2.gz BNTQLUAGQDRSEG-MSOLQXFVSA-N 1 3 328.460 2.036 10 30 EEEEHO C=CC[C@]1(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCC[NH2+]1 ZINC000662819808 472265888 /nfs/dbraw/zinc/26/58/88/472265888.db2.gz OWTPDRQYEDCDGI-QKNQBKEWSA-N 1 3 339.483 2.418 10 30 EEEEHO C#CCN(C(=O)CN1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CC2CC2)CC1 ZINC001671508492 1176866147 /nfs/dbraw/zinc/86/61/47/1176866147.db2.gz ZYBJNTPQJQSEBC-IRXDYDNUSA-N 1 3 331.504 2.195 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001482035194 1183188984 /nfs/dbraw/zinc/18/89/84/1183188984.db2.gz RXRQCFVLMURONU-OALUTQOASA-N 1 3 327.472 2.146 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccc(C#N)s1 ZINC001268542094 1183213266 /nfs/dbraw/zinc/21/32/66/1183213266.db2.gz OSWJHPCHILGYID-REMYHPOOSA-N 1 3 346.500 2.255 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccc(C#N)s1 ZINC001268542094 1183213270 /nfs/dbraw/zinc/21/32/70/1183213270.db2.gz OSWJHPCHILGYID-REMYHPOOSA-N 1 3 346.500 2.255 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001482171739 1183497963 /nfs/dbraw/zinc/49/79/63/1183497963.db2.gz HOFPQEUYUBYWCK-QZTJIDSGSA-N 1 3 341.499 2.435 10 30 EEEEHO CC[C@@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1Cl)N(C)C ZINC001268852199 1183766627 /nfs/dbraw/zinc/76/66/27/1183766627.db2.gz FUPQNCJUCGVIOD-SFHVURJKSA-N 1 3 349.906 2.470 10 30 EEEEHO CCCN(C)CC(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC001270812017 1185412170 /nfs/dbraw/zinc/41/21/70/1185412170.db2.gz JCOXQWMWISTVJC-UHFFFAOYSA-N 1 3 341.499 2.399 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001271534832 1186295068 /nfs/dbraw/zinc/29/50/68/1186295068.db2.gz OILVHVRRWWCOCQ-IAGOWNOFSA-N 1 3 339.911 2.442 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001272465861 1190836715 /nfs/dbraw/zinc/83/67/15/1190836715.db2.gz MBHXOVRIDQYFJQ-JKSUJKDBSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001272465861 1190836719 /nfs/dbraw/zinc/83/67/19/1190836719.db2.gz MBHXOVRIDQYFJQ-JKSUJKDBSA-N 1 3 327.900 2.442 10 30 EEEEHO CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001484462092 1191366366 /nfs/dbraw/zinc/36/63/66/1191366366.db2.gz BELGZZIQBAUBSP-OALUTQOASA-N 1 3 331.504 2.341 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000876782944 1199771700 /nfs/dbraw/zinc/77/17/00/1199771700.db2.gz XAOQXPICEZTGBN-INIZCTEOSA-N 1 3 336.867 2.237 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000876782944 1199771703 /nfs/dbraw/zinc/77/17/03/1199771703.db2.gz XAOQXPICEZTGBN-INIZCTEOSA-N 1 3 336.867 2.237 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001491022964 1258581176 /nfs/dbraw/zinc/58/11/76/1258581176.db2.gz KUHHPSMIJFMOLV-ZCNNSNEGSA-N 1 3 339.483 2.149 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001491022964 1258581181 /nfs/dbraw/zinc/58/11/81/1258581181.db2.gz KUHHPSMIJFMOLV-ZCNNSNEGSA-N 1 3 339.483 2.149 10 30 EEEEHO C=CCOCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001265283529 1323034911 /nfs/dbraw/zinc/03/49/11/1323034911.db2.gz GAXKJFLIBZZVGO-MSOLQXFVSA-N 1 3 349.519 2.034 10 30 EEEEHO C=CCOCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001265283529 1323034916 /nfs/dbraw/zinc/03/49/16/1323034916.db2.gz GAXKJFLIBZZVGO-MSOLQXFVSA-N 1 3 349.519 2.034 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001265509227 1323189531 /nfs/dbraw/zinc/18/95/31/1323189531.db2.gz WPXXEULVRMSZNN-IYARVYRRSA-N 1 3 347.890 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001282242148 1325666478 /nfs/dbraw/zinc/66/64/78/1325666478.db2.gz QKWULIGGDLVQLJ-JKSUJKDBSA-N 1 3 333.520 2.251 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC/C=C\CC)CC1 ZINC001317514110 1332276441 /nfs/dbraw/zinc/27/64/41/1332276441.db2.gz UCMSHMFOBPZYBU-VOFKWLDRSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC/C=C\CC)CC1 ZINC001317514110 1332276444 /nfs/dbraw/zinc/27/64/44/1332276444.db2.gz UCMSHMFOBPZYBU-VOFKWLDRSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001319888931 1332793068 /nfs/dbraw/zinc/79/30/68/1332793068.db2.gz DPFWDDPAQHQKEC-IBGZPJMESA-N 1 3 333.520 2.445 10 30 EEEEHO C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001319888931 1332793069 /nfs/dbraw/zinc/79/30/69/1332793069.db2.gz DPFWDDPAQHQKEC-IBGZPJMESA-N 1 3 333.520 2.445 10 30 EEEEHO C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001325054769 1333819950 /nfs/dbraw/zinc/81/99/50/1333819950.db2.gz PPRQXSRTXUILHC-HZPDHXFCSA-N 1 3 343.462 2.368 10 30 EEEEHO C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001325054769 1333819951 /nfs/dbraw/zinc/81/99/51/1333819951.db2.gz PPRQXSRTXUILHC-HZPDHXFCSA-N 1 3 343.462 2.368 10 30 EEEEHO C=CCC[NH2+][C@@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001566724336 1342614566 /nfs/dbraw/zinc/61/45/66/1342614566.db2.gz HBQNGIXQRMGDCT-YJBOKZPZSA-N 1 3 325.472 2.259 10 30 EEEEHO CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1cccc(C#N)c1)N(C)C ZINC001660371727 1354451172 /nfs/dbraw/zinc/45/11/72/1354451172.db2.gz FDFZIDVDMJLADI-GOSISDBHSA-N 1 3 330.476 2.083 10 30 EEEEHO CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1cccc(C#N)c1)N(C)C ZINC001660371727 1354451175 /nfs/dbraw/zinc/45/11/75/1354451175.db2.gz FDFZIDVDMJLADI-GOSISDBHSA-N 1 3 330.476 2.083 10 30 EEEEHO C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001664835765 1355239859 /nfs/dbraw/zinc/23/98/59/1355239859.db2.gz LZMMSSFKWMFNQY-QFBILLFUSA-N 1 3 337.483 2.003 10 30 EEEEHO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001664835765 1355239863 /nfs/dbraw/zinc/23/98/63/1355239863.db2.gz LZMMSSFKWMFNQY-QFBILLFUSA-N 1 3 337.483 2.003 10 30 EEEEHO C#CCN(C)CCCNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001681598367 1358038567 /nfs/dbraw/zinc/03/85/67/1358038567.db2.gz VCITYNDNSPNNAY-LJQANCHMSA-N 1 3 348.535 2.285 10 30 EEEEHO C#CCN(C)CCCNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001681598367 1358038569 /nfs/dbraw/zinc/03/85/69/1358038569.db2.gz VCITYNDNSPNNAY-LJQANCHMSA-N 1 3 348.535 2.285 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC(C)C)CC2(C)C)CC1 ZINC000941236856 780223220 /nfs/dbraw/zinc/22/32/20/780223220.db2.gz BTHQSFNAPUZJRV-SFHVURJKSA-N 1 3 333.520 2.204 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)CC2(C)C)CC1 ZINC000941236856 780223226 /nfs/dbraw/zinc/22/32/26/780223226.db2.gz BTHQSFNAPUZJRV-SFHVURJKSA-N 1 3 333.520 2.204 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001480472060 1100278626 /nfs/dbraw/zinc/27/86/26/1100278626.db2.gz MRKQNJQTIJIIML-VQIMIIECSA-N 1 3 345.462 2.146 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001480472060 1100278634 /nfs/dbraw/zinc/27/86/34/1100278634.db2.gz MRKQNJQTIJIIML-VQIMIIECSA-N 1 3 345.462 2.146 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2ccccc2F)CC1 ZINC001495815192 1101633918 /nfs/dbraw/zinc/63/39/18/1101633918.db2.gz ZIDHKLFKTREPKY-MRXNPFEDSA-N 1 3 345.462 2.013 10 30 EEEEHO C=C(C[NH+](C)C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001467744289 1110462775 /nfs/dbraw/zinc/46/27/75/1110462775.db2.gz AIMJYJIVDQHBSQ-UHFFFAOYSA-N 1 3 333.398 2.026 10 30 EEEEHO C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001499480257 1112311782 /nfs/dbraw/zinc/31/17/82/1112311782.db2.gz FRSKCWFOKMMHCS-ZWKOTPCHSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001499480257 1112311787 /nfs/dbraw/zinc/31/17/87/1112311787.db2.gz FRSKCWFOKMMHCS-ZWKOTPCHSA-N 1 3 333.520 2.301 10 30 EEEEHO CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001507426056 1115262640 /nfs/dbraw/zinc/26/26/40/1115262640.db2.gz DZHJFPZPYZLMPA-VQIMIIECSA-N 1 3 327.472 2.260 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@](C)(C[NH2+]CC2CC(C)C2)C2CC2)CC1 ZINC001568034875 1124241660 /nfs/dbraw/zinc/24/16/60/1124241660.db2.gz YGVYRPXRZUXGKP-BPZDKFOGSA-N 1 3 345.531 2.252 10 30 EEEEHO C[NH+](C)CCOc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 ZINC000123346132 463334423 /nfs/dbraw/zinc/33/44/23/463334423.db2.gz WDKOJGXTFZJHEW-UHFFFAOYSA-N 1 3 349.438 2.436 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C(C)C ZINC000417066713 466769321 /nfs/dbraw/zinc/76/93/21/466769321.db2.gz QZRLUGVTHJJCDK-QUCCMNQESA-N 1 3 348.535 2.470 10 30 EEEEHO CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)N1CCc2ccccc2C1 ZINC000594440266 468589593 /nfs/dbraw/zinc/58/95/93/468589593.db2.gz BFTHMMOPJGLPLX-OALUTQOASA-N 1 3 342.487 2.351 10 30 EEEEHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594443883 468590811 /nfs/dbraw/zinc/59/08/11/468590811.db2.gz WNHLGFQDUKTHJB-MAUKXSAKSA-N 1 3 343.475 2.134 10 30 EEEEHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)C(C)C ZINC000173927448 527645029 /nfs/dbraw/zinc/64/50/29/527645029.db2.gz LKWZPHAYUADPRN-OALUTQOASA-N 1 3 346.519 2.341 10 30 EEEEHO CC[NH+]=C(NCCN(C)C1CCCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261935909 682427247 /nfs/dbraw/zinc/42/72/47/682427247.db2.gz CKQTUUSIGCKJPP-LJQANCHMSA-N 1 3 336.524 2.329 10 30 EEEEHO C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262008495 682809415 /nfs/dbraw/zinc/80/94/15/682809415.db2.gz WCTVDKMKTVSOSY-RHSMWYFYSA-N 1 3 342.491 2.265 10 30 EEEEHO C[NH+]=C(NCc1nc2ccc(C)cc2[nH]1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262008495 682809420 /nfs/dbraw/zinc/80/94/20/682809420.db2.gz WCTVDKMKTVSOSY-RHSMWYFYSA-N 1 3 342.491 2.265 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2ccccc2C)CC1 ZINC001267155498 1178339722 /nfs/dbraw/zinc/33/97/22/1178339722.db2.gz RJXWGCUBYYKYIJ-SFHVURJKSA-N 1 3 341.499 2.325 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)CCc2ccccc2)CC1 ZINC001481018683 1179506010 /nfs/dbraw/zinc/50/60/10/1179506010.db2.gz FLAVBUAYICDORX-UHFFFAOYSA-N 1 3 341.499 2.012 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)CCc2ccccc2)CC1 ZINC001481018683 1179506013 /nfs/dbraw/zinc/50/60/13/1179506013.db2.gz FLAVBUAYICDORX-UHFFFAOYSA-N 1 3 341.499 2.012 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001481252491 1180476848 /nfs/dbraw/zinc/47/68/48/1180476848.db2.gz WYUIDQMOMQWZAI-QGZVFWFLSA-N 1 3 348.516 2.288 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001481252491 1180476851 /nfs/dbraw/zinc/47/68/51/1180476851.db2.gz WYUIDQMOMQWZAI-QGZVFWFLSA-N 1 3 348.516 2.288 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H](C)CCNCc1ccccc1C#N)[NH+](C)C ZINC001268372426 1182370207 /nfs/dbraw/zinc/37/02/07/1182370207.db2.gz DOVUSEFZQVGLAI-QAPCUYQASA-N 1 3 330.476 2.129 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001268399095 1182482572 /nfs/dbraw/zinc/48/25/72/1182482572.db2.gz SUTPWKRCQYZUEZ-VQIMIIECSA-N 1 3 347.478 2.248 10 30 EEEEHO CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)NCC#Cc1ccccc1 ZINC001481811506 1182738997 /nfs/dbraw/zinc/73/89/97/1182738997.db2.gz TUMNFFURNIRUBI-WOJBJXKFSA-N 1 3 341.499 2.395 10 30 EEEEHO CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)NCC#Cc1ccccc1 ZINC001481811506 1182739002 /nfs/dbraw/zinc/73/90/02/1182739002.db2.gz TUMNFFURNIRUBI-WOJBJXKFSA-N 1 3 341.499 2.395 10 30 EEEEHO CN(CCC[NH2+]Cc1cc(C#N)ccc1F)C(=O)CN(C)C1CCC1 ZINC001268797749 1183713203 /nfs/dbraw/zinc/71/32/03/1183713203.db2.gz XVBYCLCXRGESKK-UHFFFAOYSA-N 1 3 346.450 2.120 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1F)N(C)C ZINC001268838446 1183754814 /nfs/dbraw/zinc/75/48/14/1183754814.db2.gz AQUDBBZKVLWKAQ-GOSISDBHSA-N 1 3 348.466 2.222 10 30 EEEEHO CC[C@@H](C(=O)NC1(C[NH2+]CC#Cc2ccccc2)CCCC1)N(C)C ZINC001269588800 1184414040 /nfs/dbraw/zinc/41/40/40/1184414040.db2.gz VVDCHYPEAPTXNR-IBGZPJMESA-N 1 3 341.499 2.397 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001691508402 1185363755 /nfs/dbraw/zinc/36/37/55/1185363755.db2.gz NCWIXRSISFVISF-OALUTQOASA-N 1 3 340.471 2.123 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001691508402 1185363763 /nfs/dbraw/zinc/36/37/63/1185363763.db2.gz NCWIXRSISFVISF-OALUTQOASA-N 1 3 340.471 2.123 10 30 EEEEHO C#CCN1CCC(C(=O)NC2CC(C[NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001485110354 1191657610 /nfs/dbraw/zinc/65/76/10/1191657610.db2.gz GAVHIXJAIWATRK-PGYGNJIDSA-N 1 3 347.547 2.498 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876762248 1199761152 /nfs/dbraw/zinc/76/11/52/1199761152.db2.gz CXZFFRWSPSSOOV-IRXDYDNUSA-N 1 3 335.879 2.437 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876762248 1199761156 /nfs/dbraw/zinc/76/11/56/1199761156.db2.gz CXZFFRWSPSSOOV-IRXDYDNUSA-N 1 3 335.879 2.437 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1 ZINC001274609033 1205095494 /nfs/dbraw/zinc/09/54/94/1205095494.db2.gz HUOJNGLHFUXAOX-HMECNJMJSA-N 1 3 340.471 2.195 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CCCCCC2)CC1 ZINC001275459055 1205371695 /nfs/dbraw/zinc/37/16/95/1205371695.db2.gz KXCQIOVFLUWTQG-KRWDZBQOSA-N 1 3 333.520 2.396 10 30 EEEEHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001277348632 1302564399 /nfs/dbraw/zinc/56/43/99/1302564399.db2.gz CJEXVEUOJHMACM-AWEZNQCLSA-N 1 3 339.443 2.207 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001265235979 1323001919 /nfs/dbraw/zinc/00/19/19/1323001919.db2.gz ZTTDTZWTDQHVPY-PKOBYXMFSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001265235979 1323001928 /nfs/dbraw/zinc/00/19/28/1323001928.db2.gz ZTTDTZWTDQHVPY-PKOBYXMFSA-N 1 3 331.504 2.267 10 30 EEEEHO CC[C@H](C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001265493873 1323182355 /nfs/dbraw/zinc/18/23/55/1323182355.db2.gz FYUMZOIZSBAOIC-VAMGGRTRSA-N 1 3 341.499 2.395 10 30 EEEEHO C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001265682212 1323318072 /nfs/dbraw/zinc/31/80/72/1323318072.db2.gz NGKBLAQLVDGPOS-CRAIPNDOSA-N 1 3 325.472 2.356 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCC2)CC1 ZINC001326928548 1334185584 /nfs/dbraw/zinc/18/55/84/1334185584.db2.gz OQTVKPJWMCTBGH-UHFFFAOYSA-N 1 3 345.531 2.396 10 30 EEEEHO C=CCCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCCN3C)CC2)C1 ZINC001328491594 1334467281 /nfs/dbraw/zinc/46/72/81/1334467281.db2.gz FFBGBEBHUPCWKG-SFHVURJKSA-N 1 3 349.519 2.130 10 30 EEEEHO C=CCCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCCN3C)CC2)C1 ZINC001328491594 1334467283 /nfs/dbraw/zinc/46/72/83/1334467283.db2.gz FFBGBEBHUPCWKG-SFHVURJKSA-N 1 3 349.519 2.130 10 30 EEEEHO C=CCOCCN1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001329922113 1334740128 /nfs/dbraw/zinc/74/01/28/1334740128.db2.gz AFYWRENEXNCAQM-SFHVURJKSA-N 1 3 349.519 2.178 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[N@@H+](CCCC=C)CC2(C)C)CC1 ZINC001330261912 1334814832 /nfs/dbraw/zinc/81/48/32/1334814832.db2.gz ISARHWFXEPMWEG-SFHVURJKSA-N 1 3 331.504 2.124 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[N@H+](CCCC=C)CC2(C)C)CC1 ZINC001330261912 1334814836 /nfs/dbraw/zinc/81/48/36/1334814836.db2.gz ISARHWFXEPMWEG-SFHVURJKSA-N 1 3 331.504 2.124 10 30 EEEEHO C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001569828844 1342954278 /nfs/dbraw/zinc/95/42/78/1342954278.db2.gz PIRUXDBFUSNSOI-QFBILLFUSA-N 1 3 327.472 2.212 10 30 EEEEHO C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001666145013 1355466076 /nfs/dbraw/zinc/46/60/76/1355466076.db2.gz BNLMLDKJNPKQQH-APWZRJJASA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC2CC[NH+](CC(C)C)CC2)CC1 ZINC001666389635 1355521785 /nfs/dbraw/zinc/52/17/85/1355521785.db2.gz MIYVNUSOBPYAOI-UHFFFAOYSA-N 1 3 333.520 2.206 10 30 EEEEHO C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001699680975 1405438075 /nfs/dbraw/zinc/43/80/75/1405438075.db2.gz VAUYTNVVPFVOKY-CEXWTWQISA-N 1 3 349.519 2.127 10 30 EEEEHO C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699680975 1405438090 /nfs/dbraw/zinc/43/80/90/1405438090.db2.gz VAUYTNVVPFVOKY-CEXWTWQISA-N 1 3 349.519 2.127 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](F)CC)CC2)CC1 ZINC001495479957 1101189428 /nfs/dbraw/zinc/18/94/28/1101189428.db2.gz QMGORGANZJHORG-BZSNNMDCSA-N 1 3 337.483 2.097 10 30 EEEEHO CN(CC#Cc1ccccc1)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494154961 1103615313 /nfs/dbraw/zinc/61/53/13/1103615313.db2.gz AEFFBVNQHFGIRV-FQEVSTJZSA-N 1 3 341.499 2.160 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cc(C)ccc2C)CC1 ZINC001498197123 1107063278 /nfs/dbraw/zinc/06/32/78/1107063278.db2.gz FNHFOGGHACYXON-SFHVURJKSA-N 1 3 341.499 2.243 10 30 EEEEHO C#CCN(C)CCCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC001468760879 1110480004 /nfs/dbraw/zinc/48/00/04/1110480004.db2.gz REQUFZXJZDPPLP-QGZVFWFLSA-N 1 3 336.524 2.141 10 30 EEEEHO C#CCN(C)CCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC001468760879 1110480007 /nfs/dbraw/zinc/48/00/07/1110480007.db2.gz REQUFZXJZDPPLP-QGZVFWFLSA-N 1 3 336.524 2.141 10 30 EEEEHO C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001500616606 1112979033 /nfs/dbraw/zinc/97/90/33/1112979033.db2.gz GJBNETQBXONONX-HOTGVXAUSA-N 1 3 343.462 2.368 10 30 EEEEHO C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001500616606 1112979036 /nfs/dbraw/zinc/97/90/36/1112979036.db2.gz GJBNETQBXONONX-HOTGVXAUSA-N 1 3 343.462 2.368 10 30 EEEEHO C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CCC)C[C@H]21 ZINC001507363532 1115223737 /nfs/dbraw/zinc/22/37/37/1115223737.db2.gz LXTOHTDLCLUUTC-ARFHVFGLSA-N 1 3 327.900 2.297 10 30 EEEEHO CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H](C(C)C)N(C)C ZINC001568793599 1124806289 /nfs/dbraw/zinc/80/62/89/1124806289.db2.gz QWIYQCDVYURMOJ-SFHVURJKSA-N 1 3 330.476 2.083 10 30 EEEEHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN2CCC1CC2)C(C)C ZINC000376577960 466920130 /nfs/dbraw/zinc/92/01/30/466920130.db2.gz HBTIQVCMEZQVOC-SFHVURJKSA-N 1 3 334.508 2.175 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000596909911 469405144 /nfs/dbraw/zinc/40/51/44/469405144.db2.gz CRYTZEHQZVEWPN-ZDUSSCGKSA-N 1 3 335.427 2.091 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000596909911 469405150 /nfs/dbraw/zinc/40/51/50/469405150.db2.gz CRYTZEHQZVEWPN-ZDUSSCGKSA-N 1 3 335.427 2.091 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001482172472 1183500128 /nfs/dbraw/zinc/50/01/28/1183500128.db2.gz UQDBORKQYDRNMT-INIZCTEOSA-N 1 3 333.520 2.110 10 30 EEEEHO CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCc1ccc(C#N)s1 ZINC001268629949 1183554185 /nfs/dbraw/zinc/55/41/85/1183554185.db2.gz BDXOPANWKHXBFU-VGOKWCNXSA-N 1 3 346.500 2.256 10 30 EEEEHO CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\CNCc1ccc(C#N)s1 ZINC001268629949 1183554188 /nfs/dbraw/zinc/55/41/88/1183554188.db2.gz BDXOPANWKHXBFU-VGOKWCNXSA-N 1 3 346.500 2.256 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCCCC(F)(F)F)CC1 ZINC001268674376 1183601190 /nfs/dbraw/zinc/60/11/90/1183601190.db2.gz RKRHZRFJQKNLID-CQSZACIVSA-N 1 3 347.425 2.159 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCC3=CCCCC3)CC2)CC1 ZINC001269544611 1184368111 /nfs/dbraw/zinc/36/81/11/1184368111.db2.gz MFPKCBCOYPQGSK-UHFFFAOYSA-N 1 3 343.515 2.461 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccccc2F)CC1 ZINC001482368693 1185529517 /nfs/dbraw/zinc/52/95/17/1185529517.db2.gz RCIWWTBOSLFRTG-MRXNPFEDSA-N 1 3 345.462 2.107 10 30 EEEEHO CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001484398633 1191331229 /nfs/dbraw/zinc/33/12/29/1191331229.db2.gz GWJCAQVBFLPPHB-UHFFFAOYSA-N 1 3 327.472 2.112 10 30 EEEEHO C=CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC001486452730 1193974408 /nfs/dbraw/zinc/97/44/08/1193974408.db2.gz NNZCLJSZRLHCPO-UONOGXRCSA-N 1 3 347.425 2.416 10 30 EEEEHO C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001273018789 1194325199 /nfs/dbraw/zinc/32/51/99/1194325199.db2.gz OSBGXQBEWLUUAA-LSDHHAIUSA-N 1 3 346.450 2.024 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000876850004 1199795505 /nfs/dbraw/zinc/79/55/05/1199795505.db2.gz FJVYGUIQQRYRMI-HNNXBMFYSA-N 1 3 327.831 2.186 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876901068 1199812957 /nfs/dbraw/zinc/81/29/57/1199812957.db2.gz XWSFBLHALAMHIP-XIRDDKMYSA-N 1 3 335.879 2.483 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876901068 1199812962 /nfs/dbraw/zinc/81/29/62/1199812962.db2.gz XWSFBLHALAMHIP-XIRDDKMYSA-N 1 3 335.879 2.483 10 30 EEEEHO C#CCN(C(=O)c1ccc(Nc2ccncc2)cc1)C1CC[NH+](C)CC1 ZINC000886581300 1202526832 /nfs/dbraw/zinc/52/68/32/1202526832.db2.gz RRFZXONAVGUXDP-UHFFFAOYSA-N 1 3 348.450 2.417 10 30 EEEEHO C=CCOCCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001276388535 1297159203 /nfs/dbraw/zinc/15/92/03/1297159203.db2.gz ISANWCWYPUNTQU-VQIMIIECSA-N 1 3 349.519 2.033 10 30 EEEEHO C=CCOCCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001276388535 1297159206 /nfs/dbraw/zinc/15/92/06/1297159206.db2.gz ISANWCWYPUNTQU-VQIMIIECSA-N 1 3 349.519 2.033 10 30 EEEEHO C=CC[NH+]1CCC(C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001278079472 1305879192 /nfs/dbraw/zinc/87/91/92/1305879192.db2.gz IUIBGSVKMSMMTH-GOSISDBHSA-N 1 3 325.472 2.356 10 30 EEEEHO C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](F)CN(CC)CC ZINC001264740281 1322797588 /nfs/dbraw/zinc/79/75/88/1322797588.db2.gz MAXVXFMWFDAQTG-DLBZAZTESA-N 1 3 325.472 2.003 10 30 EEEEHO C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](F)CN(CC)CC ZINC001264740281 1322797592 /nfs/dbraw/zinc/79/75/92/1322797592.db2.gz MAXVXFMWFDAQTG-DLBZAZTESA-N 1 3 325.472 2.003 10 30 EEEEHO CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001265613835 1323268641 /nfs/dbraw/zinc/26/86/41/1323268641.db2.gz XCHSIWDYICPNFO-WOJBJXKFSA-N 1 3 341.499 2.207 10 30 EEEEHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)Cc1ccc(C#N)cc1 ZINC001266082920 1323640398 /nfs/dbraw/zinc/64/03/98/1323640398.db2.gz QIMNLUHOWYRJDT-QGZVFWFLSA-N 1 3 342.487 2.228 10 30 EEEEHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)Cc1ccc(C#N)cc1 ZINC001266082920 1323640406 /nfs/dbraw/zinc/64/04/06/1323640406.db2.gz QIMNLUHOWYRJDT-QGZVFWFLSA-N 1 3 342.487 2.228 10 30 EEEEHO CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001280198178 1324110856 /nfs/dbraw/zinc/11/08/56/1324110856.db2.gz OFTDBXXJTXOWML-VQIMIIECSA-N 1 3 337.483 2.050 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001321532609 1333119712 /nfs/dbraw/zinc/11/97/12/1333119712.db2.gz JKPDLAHOLBOJKL-APWZRJJASA-N 1 3 345.462 2.146 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001321532609 1333119716 /nfs/dbraw/zinc/11/97/16/1333119716.db2.gz JKPDLAHOLBOJKL-APWZRJJASA-N 1 3 345.462 2.146 10 30 EEEEHO CC#CC[NH+]1CCC([C@H]2CCCN(C(=O)CN(C)CCC)C2)CC1 ZINC001325363916 1333872455 /nfs/dbraw/zinc/87/24/55/1333872455.db2.gz VPGBUJSJYWAVMF-IBGZPJMESA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001330707701 1334889263 /nfs/dbraw/zinc/88/92/63/1334889263.db2.gz HHEHLUIWZCGWHF-LNLFQRSKSA-N 1 3 331.504 2.171 10 30 EEEEHO C[C@@H](CCCNCc1ccc(C#N)cc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676018865 1357090774 /nfs/dbraw/zinc/09/07/74/1357090774.db2.gz VASZGCRGNKFFLU-WMLDXEAASA-N 1 3 346.450 2.024 10 30 EEEEHO C[C@@H](CCCNCc1ccc(C#N)cc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001676018865 1357090778 /nfs/dbraw/zinc/09/07/78/1357090778.db2.gz VASZGCRGNKFFLU-WMLDXEAASA-N 1 3 346.450 2.024 10 30 EEEEHO C=CCOCC[NH+]1CCC(C)(NC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC001569578048 1342900869 /nfs/dbraw/zinc/90/08/69/1342900869.db2.gz CVTJRWKCFGIEQH-CALCHBBNSA-N 1 3 337.508 2.033 10 30 EEEEHO C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001571645534 1343260305 /nfs/dbraw/zinc/26/03/05/1343260305.db2.gz JMDLIQUSQJHBDI-QZTJIDSGSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001661554848 1354657478 /nfs/dbraw/zinc/65/74/78/1354657478.db2.gz HDNIYQYPPUMHSR-ZWKOTPCHSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001661554848 1354657482 /nfs/dbraw/zinc/65/74/82/1354657482.db2.gz HDNIYQYPPUMHSR-ZWKOTPCHSA-N 1 3 333.520 2.301 10 30 EEEEHO C[NH+](C)CCC(=O)NCCC[C@H]1CCCN1CC#Cc1ccccc1 ZINC001663103465 1354914717 /nfs/dbraw/zinc/91/47/17/1354914717.db2.gz BMYWDNJCIVQQOB-FQEVSTJZSA-N 1 3 341.499 2.351 10 30 EEEEHO CC#CC[N@H+](C)CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001667421988 1355739603 /nfs/dbraw/zinc/73/96/03/1355739603.db2.gz ZWZDZTMHRCGSQN-UHFFFAOYSA-N 1 3 333.520 2.302 10 30 EEEEHO CC#CC[N@@H+](C)CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001667421988 1355739609 /nfs/dbraw/zinc/73/96/09/1355739609.db2.gz ZWZDZTMHRCGSQN-UHFFFAOYSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001671784732 1356413903 /nfs/dbraw/zinc/41/39/03/1356413903.db2.gz KSCGFMBSIKDEIA-RTBURBONSA-N 1 3 337.483 2.050 10 30 EEEEHO C=C(Br)CNC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001438777306 1091369763 /nfs/dbraw/zinc/36/97/63/1091369763.db2.gz UNJKHCXUJYHVJZ-JSGCOSHPSA-N 1 3 346.313 2.063 10 30 EEEEHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001448511910 1093538636 /nfs/dbraw/zinc/53/86/36/1093538636.db2.gz CYAPUOGUSQVSHN-JCNLHEQBSA-N 1 3 346.450 2.024 10 30 EEEEHO C[C@@H]1C[C@H](NCc2ccc(C#N)c(F)c2)CN1C(=O)CCC[NH+](C)C ZINC001441828624 1095883303 /nfs/dbraw/zinc/88/33/03/1095883303.db2.gz BMGWMNVOONOMMN-PBHICJAKSA-N 1 3 346.450 2.118 10 30 EEEEHO CC(C)N(C)CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001480305465 1100025218 /nfs/dbraw/zinc/02/52/18/1100025218.db2.gz CVFZHCASZCQNRV-IBGZPJMESA-N 1 3 342.487 2.227 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001445110012 1100349385 /nfs/dbraw/zinc/34/93/85/1100349385.db2.gz LSOZUHSQXNDRCH-RTBURBONSA-N 1 3 342.487 2.273 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1C#N ZINC001445109997 1100349556 /nfs/dbraw/zinc/34/95/56/1100349556.db2.gz LSOZUHSQXNDRCH-MOPGFXCFSA-N 1 3 342.487 2.273 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2ccc(C#N)s2)CC[N@@H+]1C ZINC001497382829 1102412163 /nfs/dbraw/zinc/41/21/63/1102412163.db2.gz DMZQBUWOBLRUJF-DLBZAZTESA-N 1 3 348.516 2.288 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N(CC)CCNCc2ccc(C#N)s2)CC[N@H+]1C ZINC001497382829 1102412169 /nfs/dbraw/zinc/41/21/69/1102412169.db2.gz DMZQBUWOBLRUJF-DLBZAZTESA-N 1 3 348.516 2.288 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001493807131 1108686985 /nfs/dbraw/zinc/68/69/85/1108686985.db2.gz VZLUGIHDFGPUHY-GOSISDBHSA-N 1 3 346.450 2.120 10 30 EEEEHO C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001505677244 1114125594 /nfs/dbraw/zinc/12/55/94/1114125594.db2.gz FWOUDOYGOCSSBT-KGLIPLIRSA-N 1 3 334.439 2.022 10 30 EEEEHO C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001507358788 1115219976 /nfs/dbraw/zinc/21/99/76/1115219976.db2.gz VGQNOZCIHWKXNU-GUDVDZBRSA-N 1 3 345.531 2.491 10 30 EEEEHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001507454697 1115279566 /nfs/dbraw/zinc/27/95/66/1115279566.db2.gz ZBFCQAYPLYDHAK-SFHVURJKSA-N 1 3 342.487 2.225 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001569237369 1125186441 /nfs/dbraw/zinc/18/64/41/1125186441.db2.gz GNTURGOBHYXTKP-GOSISDBHSA-N 1 3 330.476 2.083 10 30 EEEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nc2ccccc2n1C1CC1 ZINC000183836441 781922787 /nfs/dbraw/zinc/92/27/87/781922787.db2.gz PVXOOWYVTBOFNA-HNNXBMFYSA-N 1 3 340.475 2.260 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000129110253 462689402 /nfs/dbraw/zinc/68/94/02/462689402.db2.gz YFFYZKGRPRTADA-SJLPKXTDSA-N 1 3 336.524 2.399 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000129110253 462689407 /nfs/dbraw/zinc/68/94/07/462689407.db2.gz YFFYZKGRPRTADA-SJLPKXTDSA-N 1 3 336.524 2.399 10 30 EEEEHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001691148732 1177638577 /nfs/dbraw/zinc/63/85/77/1177638577.db2.gz GKCBUKDVALCBCH-WGSAOQKQSA-N 1 3 339.483 2.007 10 30 EEEEHO CC[C@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1Cl)N(C)C ZINC001268914807 1183822934 /nfs/dbraw/zinc/82/29/34/1183822934.db2.gz FUPQNCJUCGVIOD-GOSISDBHSA-N 1 3 349.906 2.470 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC3CCC3)CCCC2)CC1 ZINC001270825445 1185428519 /nfs/dbraw/zinc/42/85/19/1185428519.db2.gz BPUAAKGMRAPGDX-UHFFFAOYSA-N 1 3 331.504 2.150 10 30 EEEEHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001482570607 1186905674 /nfs/dbraw/zinc/90/56/74/1186905674.db2.gz FPBYBOYOXSILAY-SFHVURJKSA-N 1 3 348.466 2.268 10 30 EEEEHO CC1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001483499778 1190513809 /nfs/dbraw/zinc/51/38/09/1190513809.db2.gz XRNBYYATSNRSIV-UHFFFAOYSA-N 1 3 342.487 2.228 10 30 EEEEHO C#CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCN(CC=C(C)C)CC1 ZINC001483984155 1191142181 /nfs/dbraw/zinc/14/21/81/1191142181.db2.gz KPLILFUGMJCJQX-HXUWFJFHSA-N 1 3 343.515 2.221 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001485228572 1191698373 /nfs/dbraw/zinc/69/83/73/1191698373.db2.gz DLXVQXPLSFMLHL-DLBZAZTESA-N 1 3 327.472 2.015 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001275571644 1205422516 /nfs/dbraw/zinc/42/25/16/1205422516.db2.gz QJKQBRFAQMGQNT-DLBZAZTESA-N 1 3 331.504 2.315 10 30 EEEEHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1)N(C)C ZINC001266712967 1276586919 /nfs/dbraw/zinc/58/69/19/1276586919.db2.gz KVRXRUJLEZVTCJ-KSZLIROESA-N 1 3 347.890 2.269 10 30 EEEEHO CC#CCN1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001489200042 1290441376 /nfs/dbraw/zinc/44/13/76/1290441376.db2.gz PQTSHZDXGJRNCF-MOPGFXCFSA-N 1 3 345.531 2.302 10 30 EEEEHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001279329347 1323876226 /nfs/dbraw/zinc/87/62/26/1323876226.db2.gz SYPKSGCBLXPJLB-UHFFFAOYSA-N 1 3 345.462 2.096 10 30 EEEEHO C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C(F)(F)F ZINC001284738386 1326690190 /nfs/dbraw/zinc/69/01/90/1326690190.db2.gz YHPSSJPMFXFUGG-UONOGXRCSA-N 1 3 344.381 2.287 10 30 EEEEHO C#CCCN1CC[C@@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317769856 1332403126 /nfs/dbraw/zinc/40/31/26/1332403126.db2.gz LVPDXVNRJKRHCB-LJQANCHMSA-N 1 3 333.520 2.443 10 30 EEEEHO C=CC[NH2+]C[C@](C)(NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001318712730 1332582237 /nfs/dbraw/zinc/58/22/37/1332582237.db2.gz IUWQPVPTABAUCR-ZWKOTPCHSA-N 1 3 325.472 2.259 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC=C(C)C)CC2)CC1 ZINC001318984858 1332632763 /nfs/dbraw/zinc/63/27/63/1332632763.db2.gz XLBWIHAUYFZJMI-WGSAOQKQSA-N 1 3 331.504 2.315 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001320414967 1332878439 /nfs/dbraw/zinc/87/84/39/1332878439.db2.gz NMSQTJYHQFQLGW-LPHOPBHVSA-N 1 3 342.487 2.415 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001320414967 1332878443 /nfs/dbraw/zinc/87/84/43/1332878443.db2.gz NMSQTJYHQFQLGW-LPHOPBHVSA-N 1 3 342.487 2.415 10 30 EEEEHO C=C(C)C[NH2+]CCCOC1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001329778865 1334713378 /nfs/dbraw/zinc/71/33/78/1334713378.db2.gz LAEORVVDHIMJAC-UHFFFAOYSA-N 1 3 337.508 2.034 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001351862214 1337857704 /nfs/dbraw/zinc/85/77/04/1337857704.db2.gz UIUXWIWHSSVQFF-GVDBMIGSSA-N 1 3 346.523 2.192 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001351862214 1337857709 /nfs/dbraw/zinc/85/77/09/1337857709.db2.gz UIUXWIWHSSVQFF-GVDBMIGSSA-N 1 3 346.523 2.192 10 30 EEEEHO C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001571063431 1343157051 /nfs/dbraw/zinc/15/70/51/1343157051.db2.gz BGLWHGVCZNQBCS-BGYRXZFFSA-N 1 3 333.520 2.158 10 30 EEEEHO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN(C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001571063431 1343157054 /nfs/dbraw/zinc/15/70/54/1343157054.db2.gz BGLWHGVCZNQBCS-BGYRXZFFSA-N 1 3 333.520 2.158 10 30 EEEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001677049270 1357270294 /nfs/dbraw/zinc/27/02/94/1357270294.db2.gz XMXWJQDSWXWHRK-UONOGXRCSA-N 1 3 347.425 2.273 10 30 EEEEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001661679030 1354671314 /nfs/dbraw/zinc/67/13/14/1354671314.db2.gz ZMVBXTGGKVAPQG-HDICACEKSA-N 1 3 347.890 2.270 10 30 EEEEHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001664392138 1355152895 /nfs/dbraw/zinc/15/28/95/1355152895.db2.gz YLMSVRSDDNXHAO-GASCZTMLSA-N 1 3 346.450 2.118 10 30 EEEEHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001664392138 1355152898 /nfs/dbraw/zinc/15/28/98/1355152898.db2.gz YLMSVRSDDNXHAO-GASCZTMLSA-N 1 3 346.450 2.118 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001666897609 1355611619 /nfs/dbraw/zinc/61/16/19/1355611619.db2.gz HBUHPIYIRYIPQO-AZUAARDMSA-N 1 3 341.499 2.347 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001666897609 1355611624 /nfs/dbraw/zinc/61/16/24/1355611624.db2.gz HBUHPIYIRYIPQO-AZUAARDMSA-N 1 3 341.499 2.347 10 30 EEEEHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC#Cc1ccc(F)cc1 ZINC001698621852 1405012980 /nfs/dbraw/zinc/01/29/80/1405012980.db2.gz ZGGFRDFSSFSEOF-HKUYNNGSSA-N 1 3 345.462 2.003 10 30 EEEEHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC#Cc1ccc(F)cc1 ZINC001698621852 1405012987 /nfs/dbraw/zinc/01/29/87/1405012987.db2.gz ZGGFRDFSSFSEOF-HKUYNNGSSA-N 1 3 345.462 2.003 10 30 EEEEHO C#CC[NH2+]C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CCCC1 ZINC001699797018 1405489182 /nfs/dbraw/zinc/48/91/82/1405489182.db2.gz SASHRBWYBZJILB-LPHOPBHVSA-N 1 3 337.483 2.097 10 30 EEEEHO C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001437310224 1089467692 /nfs/dbraw/zinc/46/76/92/1089467692.db2.gz JKPGPROMNOQAHN-PBHICJAKSA-N 1 3 345.890 2.390 10 30 EEEEHO C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001479979824 1099433791 /nfs/dbraw/zinc/43/37/91/1099433791.db2.gz AXZBYIWMGNTYMR-MSOLQXFVSA-N 1 3 349.519 2.034 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@](C)(C[NH2+]CC2CCC2)C2CC2)CC1 ZINC001495303683 1101005354 /nfs/dbraw/zinc/00/53/54/1101005354.db2.gz QUCPMALECBKLTJ-HXUWFJFHSA-N 1 3 331.504 2.006 10 30 EEEEHO C[C@@H](CNCc1ccccc1C#N)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001495732957 1101499479 /nfs/dbraw/zinc/49/94/79/1101499479.db2.gz ZVEMGRMWGDOGGN-ULQDDVLXSA-N 1 3 342.487 2.130 10 30 EEEEHO C[C@@H](CNCc1ccccc1C#N)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001495732957 1101499483 /nfs/dbraw/zinc/49/94/83/1101499483.db2.gz ZVEMGRMWGDOGGN-ULQDDVLXSA-N 1 3 342.487 2.130 10 30 EEEEHO C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498368698 1107401900 /nfs/dbraw/zinc/40/19/00/1107401900.db2.gz WCCXVNUDBQWEGC-GJYPPUQNSA-N 1 3 342.487 2.225 10 30 EEEEHO C[C@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001498368698 1107401909 /nfs/dbraw/zinc/40/19/09/1107401909.db2.gz WCCXVNUDBQWEGC-GJYPPUQNSA-N 1 3 342.487 2.225 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2(C)CC[NH+](CCC=C)CC2)CC1 ZINC001500462889 1112851503 /nfs/dbraw/zinc/85/15/03/1112851503.db2.gz PKWYDIICCHZNRT-UHFFFAOYSA-N 1 3 331.504 2.126 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1)[NH+](C)C ZINC001507151861 1115136222 /nfs/dbraw/zinc/13/62/22/1115136222.db2.gz KPGJTSMMQZCTKI-VQIMIIECSA-N 1 3 347.478 2.200 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C)CC1 ZINC001508037403 1115397982 /nfs/dbraw/zinc/39/79/82/1115397982.db2.gz SZMSYZDFLLUHOZ-GOSISDBHSA-N 1 3 335.536 2.498 10 30 EEEEHO C#CCC[NH2+]Cc1ccc(CNC(=O)C(C)(C)N2CCCC2)c(F)c1 ZINC001508239139 1115457565 /nfs/dbraw/zinc/45/75/65/1115457565.db2.gz FSFKKKXGFPFATB-UHFFFAOYSA-N 1 3 345.462 2.429 10 30 EEEEHO CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001565876666 1125448365 /nfs/dbraw/zinc/44/83/65/1125448365.db2.gz MNPFTEHZYXESHD-MXVIHJGJSA-N 1 3 341.499 2.254 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001565876666 1125448366 /nfs/dbraw/zinc/44/83/66/1125448366.db2.gz MNPFTEHZYXESHD-MXVIHJGJSA-N 1 3 341.499 2.254 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)CC1 ZINC000174769913 464449532 /nfs/dbraw/zinc/44/95/32/464449532.db2.gz MWVJKBCSQYGNOA-ZWKOTPCHSA-N 1 3 334.508 2.295 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2CC)CC1 ZINC000174769913 464449539 /nfs/dbraw/zinc/44/95/39/464449539.db2.gz MWVJKBCSQYGNOA-ZWKOTPCHSA-N 1 3 334.508 2.295 10 30 EEEEHO C=C(CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1 ZINC000664898997 471891676 /nfs/dbraw/zinc/89/16/76/471891676.db2.gz MQUXOECOSKSCFQ-KRWDZBQOSA-N 1 3 332.492 2.271 10 30 EEEEHO C=C(CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1 ZINC000664898997 471891680 /nfs/dbraw/zinc/89/16/80/471891680.db2.gz MQUXOECOSKSCFQ-KRWDZBQOSA-N 1 3 332.492 2.271 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266891386 1177725238 /nfs/dbraw/zinc/72/52/38/1177725238.db2.gz OWWUOUWPVYHQOV-QZTJIDSGSA-N 1 3 333.520 2.491 10 30 EEEEHO CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266891386 1177725242 /nfs/dbraw/zinc/72/52/42/1177725242.db2.gz OWWUOUWPVYHQOV-QZTJIDSGSA-N 1 3 333.520 2.491 10 30 EEEEHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001267152456 1178332579 /nfs/dbraw/zinc/33/25/79/1178332579.db2.gz MYYFKRJVWKOGHQ-MAUKXSAKSA-N 1 3 333.451 2.002 10 30 EEEEHO CN(CCNCc1ccc(F)c(C#N)c1)C(=O)CC[NH+]1CCCCC1 ZINC001267473968 1179106455 /nfs/dbraw/zinc/10/64/55/1179106455.db2.gz PPAILGLBKHYRSE-UHFFFAOYSA-N 1 3 346.450 2.121 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC(C)(C)C)CC1 ZINC001267716598 1180264062 /nfs/dbraw/zinc/26/40/62/1180264062.db2.gz MPQJGPSFBOCQPM-OALUTQOASA-N 1 3 345.531 2.443 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC(C)(C)C)CC1 ZINC001267716598 1180264069 /nfs/dbraw/zinc/26/40/69/1180264069.db2.gz MPQJGPSFBOCQPM-OALUTQOASA-N 1 3 345.531 2.443 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)N(C)C ZINC001268397864 1182484605 /nfs/dbraw/zinc/48/46/05/1182484605.db2.gz DEDGATXPHJHGLU-RDTXWAMCSA-N 1 3 348.466 2.268 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001268427673 1182599207 /nfs/dbraw/zinc/59/92/07/1182599207.db2.gz YPIRYMXUXLCNME-QGZVFWFLSA-N 1 3 345.531 2.396 10 30 EEEEHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001268920235 1183817236 /nfs/dbraw/zinc/81/72/36/1183817236.db2.gz LLJOPOBOJXUPGS-SFHVURJKSA-N 1 3 348.466 2.222 10 30 EEEEHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCC#Cc1ccc(F)cc1 ZINC001269498111 1184320403 /nfs/dbraw/zinc/32/04/03/1184320403.db2.gz NYGDJZQPTIMZMJ-RTBURBONSA-N 1 3 347.478 2.248 10 30 EEEEHO C=CCOCCN1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001270642668 1185260693 /nfs/dbraw/zinc/26/06/93/1185260693.db2.gz NYTOCVCFUGGZSD-FQEVSTJZSA-N 1 3 345.487 2.145 10 30 EEEEHO C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271110139 1185893266 /nfs/dbraw/zinc/89/32/66/1185893266.db2.gz QTVHKNUSLOOJFB-HOTGVXAUSA-N 1 3 343.462 2.366 10 30 EEEEHO CC(C)[C@@H](C(=O)NC/C=C\CNCc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001483023222 1188013004 /nfs/dbraw/zinc/01/30/04/1188013004.db2.gz WORNVMICERHUEN-XFHJGTJQSA-N 1 3 346.450 2.046 10 30 EEEEHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001484385414 1191326037 /nfs/dbraw/zinc/32/60/37/1191326037.db2.gz ZGIJWKZNZZNNIN-QFBILLFUSA-N 1 3 342.487 2.083 10 30 EEEEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C(C)(C)C1 ZINC001486246887 1193773334 /nfs/dbraw/zinc/77/33/34/1193773334.db2.gz ULZHRCNNDUIVRV-MRXNPFEDSA-N 1 3 348.516 2.288 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CCC2CCCC2)CC1 ZINC001273203081 1197507894 /nfs/dbraw/zinc/50/78/94/1197507894.db2.gz GSCHMCWMGUEUOC-QGZVFWFLSA-N 1 3 333.520 2.396 10 30 EEEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001410232507 1197622068 /nfs/dbraw/zinc/62/20/68/1197622068.db2.gz ZSJQGAAGLNIXQG-KLHDSHLOSA-N 1 3 327.900 2.344 10 30 EEEEHO C[C@@H](NCC#Cc1ccc(F)cc1)[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001275542128 1205403499 /nfs/dbraw/zinc/40/34/99/1205403499.db2.gz RUKWEJJBWATNSE-IAGOWNOFSA-N 1 3 347.478 2.392 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC/C=C\CCC)C2)CC1 ZINC001490958389 1258509664 /nfs/dbraw/zinc/50/96/64/1258509664.db2.gz XLCNRGVRRRZKHF-DCHJWAOUSA-N 1 3 331.504 2.315 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)CC1 ZINC001262571384 1322326302 /nfs/dbraw/zinc/32/63/02/1322326302.db2.gz TXAXUXVUWFPRDM-KRWDZBQOSA-N 1 3 334.508 2.330 10 30 EEEEHO C=C(C)CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CN1CCCC1)CC2 ZINC001283010786 1325881211 /nfs/dbraw/zinc/88/12/11/1325881211.db2.gz GEORYXKULFCAHZ-GOSISDBHSA-N 1 3 349.519 2.036 10 30 EEEEHO C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001492164675 1331029643 /nfs/dbraw/zinc/02/96/43/1331029643.db2.gz DBOQXCWFGHSPFQ-APWZRJJASA-N 1 3 337.483 2.193 10 30 EEEEHO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001492164675 1331029648 /nfs/dbraw/zinc/02/96/48/1331029648.db2.gz DBOQXCWFGHSPFQ-APWZRJJASA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001317414964 1332219530 /nfs/dbraw/zinc/21/95/30/1332219530.db2.gz GGEBYQNEOLUJCF-QGZVFWFLSA-N 1 3 331.504 2.316 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320826173 1332960764 /nfs/dbraw/zinc/96/07/64/1332960764.db2.gz BVZRVXQJVMQJPL-GJZGRUSLSA-N 1 3 348.516 2.288 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320826173 1332960766 /nfs/dbraw/zinc/96/07/66/1332960766.db2.gz BVZRVXQJVMQJPL-GJZGRUSLSA-N 1 3 348.516 2.288 10 30 EEEEHO C#CCN1CCC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001323816355 1333546511 /nfs/dbraw/zinc/54/65/11/1333546511.db2.gz OYIZHNPNUZLGBC-FQEVSTJZSA-N 1 3 331.504 2.200 10 30 EEEEHO C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001325054767 1333820104 /nfs/dbraw/zinc/82/01/04/1333820104.db2.gz PPRQXSRTXUILHC-CVEARBPZSA-N 1 3 343.462 2.368 10 30 EEEEHO C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001325054767 1333820106 /nfs/dbraw/zinc/82/01/06/1333820106.db2.gz PPRQXSRTXUILHC-CVEARBPZSA-N 1 3 343.462 2.368 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001325703047 1333943843 /nfs/dbraw/zinc/94/38/43/1333943843.db2.gz VRBZXSFYTQWTOW-VQTJNVASSA-N 1 3 339.483 2.255 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001325703047 1333943848 /nfs/dbraw/zinc/94/38/48/1333943848.db2.gz VRBZXSFYTQWTOW-VQTJNVASSA-N 1 3 339.483 2.255 10 30 EEEEHO CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001326307138 1334064926 /nfs/dbraw/zinc/06/49/26/1334064926.db2.gz ZGBMEFJEJMDFPB-WOJBJXKFSA-N 1 3 341.499 2.207 10 30 EEEEHO C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001328129796 1334402371 /nfs/dbraw/zinc/40/23/71/1334402371.db2.gz YDTAXLWVYNLVDZ-LJQANCHMSA-N 1 3 341.499 2.417 10 30 EEEEHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC001333021433 1335949215 /nfs/dbraw/zinc/94/92/15/1335949215.db2.gz OWCFVDLFKBRMKI-LSDHHAIUSA-N 1 3 347.425 2.416 10 30 EEEEHO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566877895 1342645839 /nfs/dbraw/zinc/64/58/39/1342645839.db2.gz ILAITIKKSKBELH-QAPCUYQASA-N 1 3 325.472 2.213 10 30 EEEEHO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566877895 1342645842 /nfs/dbraw/zinc/64/58/42/1342645842.db2.gz ILAITIKKSKBELH-QAPCUYQASA-N 1 3 325.472 2.213 10 30 EEEEHO C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567198447 1342710016 /nfs/dbraw/zinc/71/00/16/1342710016.db2.gz IKNKRFYXBQIUOP-APWZRJJASA-N 1 3 337.483 2.145 10 30 EEEEHO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567198447 1342710020 /nfs/dbraw/zinc/71/00/20/1342710020.db2.gz IKNKRFYXBQIUOP-APWZRJJASA-N 1 3 337.483 2.145 10 30 EEEEHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)NCC#Cc1ccccc1 ZINC001676365135 1357141052 /nfs/dbraw/zinc/14/10/52/1357141052.db2.gz SQOVWZJIFGZXKF-AZUAARDMSA-N 1 3 341.499 2.349 10 30 EEEEHO C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@H+]1C)NCC#Cc1ccccc1 ZINC001676365135 1357141055 /nfs/dbraw/zinc/14/10/55/1357141055.db2.gz SQOVWZJIFGZXKF-AZUAARDMSA-N 1 3 341.499 2.349 10 30 EEEEHO C#CCN1CCC(C(=O)NC2CCC([NH2+]C/C=C/Cl)CC2)CC1 ZINC001662142037 1354754826 /nfs/dbraw/zinc/75/48/26/1354754826.db2.gz LGTPXOXNLCZIIX-XCVCLJGOSA-N 1 3 337.895 2.101 10 30 EEEEHO C#CCC[NH2+]C[C@]1(NC(=O)C2CCN(CC#C)CC2)CCCC[C@H]1C ZINC001666069750 1355440589 /nfs/dbraw/zinc/44/05/89/1355440589.db2.gz WHNUUXFOHJHLLG-WIYYLYMNSA-N 1 3 343.515 2.010 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001669750166 1356202179 /nfs/dbraw/zinc/20/21/79/1356202179.db2.gz GXZYOEVPLQBFDL-SFHVURJKSA-N 1 3 327.472 2.008 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)CC2(C)C)CC1 ZINC000941237519 780225870 /nfs/dbraw/zinc/22/58/70/780225870.db2.gz OEJWYSPURKOFME-LJQANCHMSA-N 1 3 345.531 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CCC3)CC2(C)C)CC1 ZINC000941237519 780225873 /nfs/dbraw/zinc/22/58/73/780225873.db2.gz OEJWYSPURKOFME-LJQANCHMSA-N 1 3 345.531 2.348 10 30 EEEEHO C=CCCCNCc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001566126941 1125576344 /nfs/dbraw/zinc/57/63/44/1125576344.db2.gz GDEUPCVMEGYFRS-CQSZACIVSA-N 1 3 348.516 2.035 10 30 EEEEHO C=CCCCNCc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001566126941 1125576353 /nfs/dbraw/zinc/57/63/53/1125576353.db2.gz GDEUPCVMEGYFRS-CQSZACIVSA-N 1 3 348.516 2.035 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@@H+](CCCC=C)C2)CC1 ZINC001494082029 1103493203 /nfs/dbraw/zinc/49/32/03/1103493203.db2.gz CIKHFDFLDAEIKO-GOSISDBHSA-N 1 3 331.504 2.126 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@H+](CCCC=C)C2)CC1 ZINC001494082029 1103493206 /nfs/dbraw/zinc/49/32/06/1103493206.db2.gz CIKHFDFLDAEIKO-GOSISDBHSA-N 1 3 331.504 2.126 10 30 EEEEHO C#CCC[C@@H](O)C[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC001461729522 1110347252 /nfs/dbraw/zinc/34/72/52/1110347252.db2.gz MXQAZTSHPLVWJP-LJQANCHMSA-N 1 3 329.488 2.083 10 30 EEEEHO CC#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001502406772 1113671345 /nfs/dbraw/zinc/67/13/45/1113671345.db2.gz SDYRJVAGMCFMMW-RTBURBONSA-N 1 3 333.520 2.445 10 30 EEEEHO CC#CCN1C[C@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001506870756 1114941766 /nfs/dbraw/zinc/94/17/66/1114941766.db2.gz XKILTICKISOHSH-BGYRXZFFSA-N 1 3 331.504 2.056 10 30 EEEEHO CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001507027746 1115065566 /nfs/dbraw/zinc/06/55/66/1115065566.db2.gz LFCJLYSBWNXAOF-LPHOPBHVSA-N 1 3 337.483 2.049 10 30 EEEEHO C[C@H]1[C@H](NCc2ccc(C#N)s2)CCN1C(=O)CCCC[NH+](C)C ZINC001507294498 1115178452 /nfs/dbraw/zinc/17/84/52/1115178452.db2.gz ZTXPVOZOULJFNI-WMLDXEAASA-N 1 3 348.516 2.431 10 30 EEEEHO C[C@@H](CCNCc1ccccc1C#N)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568664424 1124678712 /nfs/dbraw/zinc/67/87/12/1124678712.db2.gz NAYBNSFWOZUQBS-INIZCTEOSA-N 1 3 342.487 2.417 10 30 EEEEHO C#CCN(C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CCN(C)CC1 ZINC000914357200 683530073 /nfs/dbraw/zinc/53/00/73/683530073.db2.gz CAVOXIZUIGDPPR-FGTMMUONSA-N 1 3 348.535 2.092 10 30 EEEEHO C#CCN(C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CCN(C)CC1 ZINC000914357200 683530078 /nfs/dbraw/zinc/53/00/78/683530078.db2.gz CAVOXIZUIGDPPR-FGTMMUONSA-N 1 3 348.535 2.092 10 30 EEEEHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001267152455 1178333404 /nfs/dbraw/zinc/33/34/04/1178333404.db2.gz MYYFKRJVWKOGHQ-CRAIPNDOSA-N 1 3 333.451 2.002 10 30 EEEEHO C=CCCC[NH2+]C/C=C\CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001268591285 1183391867 /nfs/dbraw/zinc/39/18/67/1183391867.db2.gz PZCLETZPVHLTLP-CNZFZVQHSA-N 1 3 325.472 2.427 10 30 EEEEHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001270419612 1185090250 /nfs/dbraw/zinc/09/02/50/1185090250.db2.gz LFPGWIJDOIVRDH-INIZCTEOSA-N 1 3 345.462 2.003 10 30 EEEEHO C=C(C)CC[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001670854624 1187507864 /nfs/dbraw/zinc/50/78/64/1187507864.db2.gz GWPJZWJJPNPZLM-SFHVURJKSA-N 1 3 325.472 2.404 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC2(CC1)C[C@@H]([NH3+])c1ccccc1O2 ZINC001649097868 1193513884 /nfs/dbraw/zinc/51/38/84/1193513884.db2.gz HROFEIWOYZQQQB-LSDHHAIUSA-N 1 3 349.862 2.300 10 30 EEEEHO C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)C2 ZINC001484391007 1191325408 /nfs/dbraw/zinc/32/54/08/1191325408.db2.gz HHQBUQRMJKPLEZ-DQCOHUIHSA-N 1 3 331.504 2.242 10 30 EEEEHO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@H](C)CC[C@@H]1C)C2 ZINC001484391007 1191325409 /nfs/dbraw/zinc/32/54/09/1191325409.db2.gz HHQBUQRMJKPLEZ-DQCOHUIHSA-N 1 3 331.504 2.242 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001484398685 1191331271 /nfs/dbraw/zinc/33/12/71/1191331271.db2.gz ILJPRLMQLXXXFA-UHFFFAOYSA-N 1 3 339.483 2.114 10 30 EEEEHO C#CCC[N@@H+](CC)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001485032858 1191625464 /nfs/dbraw/zinc/62/54/64/1191625464.db2.gz MCCSDMHKZNCJEF-UHFFFAOYSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCC[N@H+](CC)CC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001485032858 1191625466 /nfs/dbraw/zinc/62/54/66/1191625466.db2.gz MCCSDMHKZNCJEF-UHFFFAOYSA-N 1 3 333.520 2.302 10 30 EEEEHO C(#CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565846 1201144951 /nfs/dbraw/zinc/14/49/51/1201144951.db2.gz QWIDZIWXPZWQPP-BDXSIMOUSA-N 1 3 336.570 2.360 10 30 EEEEHO C(#CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565846 1201144954 /nfs/dbraw/zinc/14/49/54/1201144954.db2.gz QWIDZIWXPZWQPP-BDXSIMOUSA-N 1 3 336.570 2.360 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001275570279 1205421148 /nfs/dbraw/zinc/42/11/48/1205421148.db2.gz FAMTYTWSQFZCTD-ZWKOTPCHSA-N 1 3 341.499 2.057 10 30 EEEEHO CC[C@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C ZINC001276333407 1215753843 /nfs/dbraw/zinc/75/38/43/1215753843.db2.gz SCWMRCFBFBYNCH-GOSISDBHSA-N 1 3 349.906 2.470 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000900414688 1234331906 /nfs/dbraw/zinc/33/19/06/1234331906.db2.gz JBNMTENQWBVHEL-UHFFFAOYSA-N 1 3 339.430 2.363 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(F)c1 ZINC001279722929 1323986413 /nfs/dbraw/zinc/98/64/13/1323986413.db2.gz PLASHXACQDVFPL-GJZGRUSLSA-N 1 3 331.435 2.038 10 30 EEEEHO C=CCCC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C(F)(F)F ZINC001284738384 1326690065 /nfs/dbraw/zinc/69/00/65/1326690065.db2.gz YHPSSJPMFXFUGG-KGLIPLIRSA-N 1 3 344.381 2.287 10 30 EEEEHO C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001316721858 1331861854 /nfs/dbraw/zinc/86/18/54/1331861854.db2.gz KNCKYFCEQQHGIN-WOJBJXKFSA-N 1 3 341.499 2.326 10 30 EEEEHO C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001316721858 1331861860 /nfs/dbraw/zinc/86/18/60/1331861860.db2.gz KNCKYFCEQQHGIN-WOJBJXKFSA-N 1 3 341.499 2.326 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001317414963 1332219554 /nfs/dbraw/zinc/21/95/54/1332219554.db2.gz GGEBYQNEOLUJCF-KRWDZBQOSA-N 1 3 331.504 2.316 10 30 EEEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001317433853 1332238261 /nfs/dbraw/zinc/23/82/61/1332238261.db2.gz FUCUVFZHTHALCM-INIZCTEOSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001319788844 1332768038 /nfs/dbraw/zinc/76/80/38/1332768038.db2.gz UGHXNTQSSZMMBC-JKSUJKDBSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001319788844 1332768042 /nfs/dbraw/zinc/76/80/42/1332768042.db2.gz UGHXNTQSSZMMBC-JKSUJKDBSA-N 1 3 327.900 2.442 10 30 EEEEHO C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CNCC#Cc1ccccc1 ZINC001319859841 1332786053 /nfs/dbraw/zinc/78/60/53/1332786053.db2.gz CBQNASRFIKSKNB-AZUAARDMSA-N 1 3 341.499 2.207 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@H](C)CCC=C)C2)CC1 ZINC001330707703 1334889316 /nfs/dbraw/zinc/88/93/16/1334889316.db2.gz HHEHLUIWZCGWHF-ZHALLVOQSA-N 1 3 331.504 2.171 10 30 EEEEHO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566877896 1342646036 /nfs/dbraw/zinc/64/60/36/1342646036.db2.gz ILAITIKKSKBELH-YJBOKZPZSA-N 1 3 325.472 2.213 10 30 EEEEHO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566877896 1342646039 /nfs/dbraw/zinc/64/60/39/1342646039.db2.gz ILAITIKKSKBELH-YJBOKZPZSA-N 1 3 325.472 2.213 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@H+](CC2CCCC2)C2CC2)CC1 ZINC001660752718 1354531670 /nfs/dbraw/zinc/53/16/70/1354531670.db2.gz HCEHCANGYICSEP-UHFFFAOYSA-N 1 3 345.531 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC2CCCC2)C2CC2)CC1 ZINC001660752718 1354531673 /nfs/dbraw/zinc/53/16/73/1354531673.db2.gz HCEHCANGYICSEP-UHFFFAOYSA-N 1 3 345.531 2.493 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001661192680 1354603215 /nfs/dbraw/zinc/60/32/15/1354603215.db2.gz IJADVRVLZYOCBZ-IBGZPJMESA-N 1 3 345.462 2.002 10 30 EEEEHO C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001662878773 1354872455 /nfs/dbraw/zinc/87/24/55/1354872455.db2.gz VWSGAVDWDGFRIF-LJQANCHMSA-N 1 3 327.472 2.308 10 30 EEEEHO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001662878773 1354872460 /nfs/dbraw/zinc/87/24/60/1354872460.db2.gz VWSGAVDWDGFRIF-LJQANCHMSA-N 1 3 327.472 2.308 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001671492245 1356349461 /nfs/dbraw/zinc/34/94/61/1356349461.db2.gz ULAHDENYOCHVPF-SFHVURJKSA-N 1 3 345.531 2.445 10 30 EEEEHO CC#CCN1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001673650094 1356726981 /nfs/dbraw/zinc/72/69/81/1356726981.db2.gz DRXFCPFGGNFBLD-HXUWFJFHSA-N 1 3 331.504 2.200 10 30 EEEEHO C=CCCCNCc1nc2c(s1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001566126940 1125575770 /nfs/dbraw/zinc/57/57/70/1125575770.db2.gz GDEUPCVMEGYFRS-AWEZNQCLSA-N 1 3 348.516 2.035 10 30 EEEEHO C=CCCCNCc1nc2c(s1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001566126940 1125575776 /nfs/dbraw/zinc/57/57/76/1125575776.db2.gz GDEUPCVMEGYFRS-AWEZNQCLSA-N 1 3 348.516 2.035 10 30 EEEEHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001438551148 1091043242 /nfs/dbraw/zinc/04/32/42/1091043242.db2.gz YUINHYDTMNINNB-RDTXWAMCSA-N 1 3 348.466 2.125 10 30 EEEEHO C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001479610217 1098632162 /nfs/dbraw/zinc/63/21/62/1098632162.db2.gz BYIDIZGCSOZBDG-RLLQIKCJSA-N 1 3 345.531 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001494792130 1104375117 /nfs/dbraw/zinc/37/51/17/1104375117.db2.gz IIVQGDOTCDGSKS-IEBWSBKVSA-N 1 3 333.520 2.204 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)CC(C)C)C2)CC1 ZINC001494792130 1104375129 /nfs/dbraw/zinc/37/51/29/1104375129.db2.gz IIVQGDOTCDGSKS-IEBWSBKVSA-N 1 3 333.520 2.204 10 30 EEEEHO C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001501669029 1113425074 /nfs/dbraw/zinc/42/50/74/1113425074.db2.gz YDCZGRBGIBRGDM-LJQANCHMSA-N 1 3 329.488 2.344 10 30 EEEEHO C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C(C)C)N(C)C ZINC001501669029 1113425079 /nfs/dbraw/zinc/42/50/79/1113425079.db2.gz YDCZGRBGIBRGDM-LJQANCHMSA-N 1 3 329.488 2.344 10 30 EEEEHO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH+](CCCOC)CC1 ZINC001502404480 1113669125 /nfs/dbraw/zinc/66/91/25/1113669125.db2.gz IBNRPUOOHTXBNE-KDURUIRLSA-N 1 3 349.519 2.129 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001568969601 1125007231 /nfs/dbraw/zinc/00/72/31/1125007231.db2.gz MWULCKRXEBHKCL-ARJAWSKDSA-N 1 3 343.515 2.174 10 30 EEEEHO COC[C@@H]1CCCCN(CC#CC[N@@H+]2CCCC[C@@H](COC)C2)C1 ZINC000366959277 466041828 /nfs/dbraw/zinc/04/18/28/466041828.db2.gz DGQLZFSVNOWGHS-WOJBJXKFSA-N 1 3 336.520 2.487 10 30 EEEEHO COC[C@@H]1CCCCN(CC#CC[N@H+]2CCCC[C@@H](COC)C2)C1 ZINC000366959277 466041833 /nfs/dbraw/zinc/04/18/33/466041833.db2.gz DGQLZFSVNOWGHS-WOJBJXKFSA-N 1 3 336.520 2.487 10 30 EEEEHO CCC[NH+]1CCC(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000471970859 467984217 /nfs/dbraw/zinc/98/42/17/467984217.db2.gz ZWZBDLKWJRSWDV-IBGZPJMESA-N 1 3 338.455 2.479 10 30 EEEEHO CN1CCN(CC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1(C)C ZINC000594936031 468725567 /nfs/dbraw/zinc/72/55/67/468725567.db2.gz GTVVOVLVWLMIOG-UHFFFAOYSA-N 1 3 326.488 2.357 10 30 EEEEHO N#CC1(C[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000599335349 469215498 /nfs/dbraw/zinc/21/54/98/469215498.db2.gz SVHYGLGEZKKCOX-NZSAHSFTSA-N 1 3 347.503 2.006 10 30 EEEEHO N#CC1(C[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000599335349 469215501 /nfs/dbraw/zinc/21/55/01/469215501.db2.gz SVHYGLGEZKKCOX-NZSAHSFTSA-N 1 3 347.503 2.006 10 30 EEEEHO C=CC(C)(C)CCNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000623564391 469695763 /nfs/dbraw/zinc/69/57/63/469695763.db2.gz AXMLBJAHKQJKLK-UHFFFAOYSA-N 1 3 336.524 2.447 10 30 EEEEHO C#CCN(C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C1CCN(C)CC1 ZINC000914314352 683481188 /nfs/dbraw/zinc/48/11/88/683481188.db2.gz RZFKDXHTHCANNP-YLJYHZDGSA-N 1 3 348.535 2.236 10 30 EEEEHO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001485652824 1191871337 /nfs/dbraw/zinc/87/13/37/1191871337.db2.gz GHFZFLXIMNHYBH-ARFHVFGLSA-N 1 3 339.911 2.440 10 30 EEEEHO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001485652824 1191871338 /nfs/dbraw/zinc/87/13/38/1191871338.db2.gz GHFZFLXIMNHYBH-ARFHVFGLSA-N 1 3 339.911 2.440 10 30 EEEEHO C#CCC[NH2+]Cc1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001270075144 1184829891 /nfs/dbraw/zinc/82/98/91/1184829891.db2.gz AQHQPFXUOCNXRB-UHFFFAOYSA-N 1 3 329.488 2.394 10 30 EEEEHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C ZINC001270517373 1185142842 /nfs/dbraw/zinc/14/28/42/1185142842.db2.gz OZUSRWAXAZXRAF-QAPCUYQASA-N 1 3 349.906 2.374 10 30 EEEEHO C#CCC[NH2+]CC[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001272650982 1190960298 /nfs/dbraw/zinc/96/02/98/1190960298.db2.gz AVXBCDUDTSXJEP-KRWDZBQOSA-N 1 3 327.472 2.213 10 30 EEEEHO C#CCN1CCC(C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001484140144 1191230268 /nfs/dbraw/zinc/23/02/68/1191230268.db2.gz OMZUJKLODDGSJY-UHFFFAOYSA-N 1 3 333.520 2.350 10 30 EEEEHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001485217474 1191689509 /nfs/dbraw/zinc/68/95/09/1191689509.db2.gz SCPAIUALYOQSTN-KGLIPLIRSA-N 1 3 334.439 2.022 10 30 EEEEHO C#CCC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001486412399 1193921693 /nfs/dbraw/zinc/92/16/93/1193921693.db2.gz WFLHMIIRGXYHHT-DNVCBOLYSA-N 1 3 339.499 2.343 10 30 EEEEHO C=CCC[NH2+][C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC001486452728 1193974270 /nfs/dbraw/zinc/97/42/70/1193974270.db2.gz NNZCLJSZRLHCPO-KBPBESRZSA-N 1 3 347.425 2.416 10 30 EEEEHO C#C[C@H]1CC[C@H](NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CC1 ZINC000874862096 1199044774 /nfs/dbraw/zinc/04/47/74/1199044774.db2.gz UOIMXUSHRQLENK-UAPYVXQJSA-N 1 3 345.531 2.491 10 30 EEEEHO CC#CC[N@H+](CCCNC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001265184199 1322974199 /nfs/dbraw/zinc/97/41/99/1322974199.db2.gz UHBMUDKVNZTRRW-UHFFFAOYSA-N 1 3 327.472 2.356 10 30 EEEEHO CC#CC[N@@H+](CCCNC(=O)c1cccc(CN(C)C)c1)C1CC1 ZINC001265184199 1322974204 /nfs/dbraw/zinc/97/42/04/1322974204.db2.gz UHBMUDKVNZTRRW-UHFFFAOYSA-N 1 3 327.472 2.356 10 30 EEEEHO C#CCC[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001319374307 1332691930 /nfs/dbraw/zinc/69/19/30/1332691930.db2.gz GGFFNJLADLWZFU-LJQANCHMSA-N 1 3 337.483 2.241 10 30 EEEEHO CCCN(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001325453968 1333889296 /nfs/dbraw/zinc/88/92/96/1333889296.db2.gz COHCAYHCEPQPRG-UYAOXDASSA-N 1 3 341.499 2.207 10 30 EEEEHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC#Cc1ccccc1 ZINC001667458613 1355745137 /nfs/dbraw/zinc/74/51/37/1355745137.db2.gz MRPIFJJRHYYOAH-RLLQIKCJSA-N 1 3 341.499 2.109 10 30 EEEEHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC#Cc1ccccc1 ZINC001667458613 1355745142 /nfs/dbraw/zinc/74/51/42/1355745142.db2.gz MRPIFJJRHYYOAH-RLLQIKCJSA-N 1 3 341.499 2.109 10 30 EEEEHO C[C@@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001668214030 1355901083 /nfs/dbraw/zinc/90/10/83/1355901083.db2.gz HOKMSDPXIZKMHY-SJORKVTESA-N 1 3 345.462 2.003 10 30 EEEEHO C#CCN(C(=O)CC1CC[NH+](C)CC1)C1CCN(CC(=C)C)CC1 ZINC001569593809 1342904896 /nfs/dbraw/zinc/90/48/96/1342904896.db2.gz LYHIPMTVVJGVFX-UHFFFAOYSA-N 1 3 331.504 2.221 10 30 EEEEHO CC#CC[N@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001676082940 1357102685 /nfs/dbraw/zinc/10/26/85/1357102685.db2.gz YLZLQKPLTHXQFN-UHFFFAOYSA-N 1 3 327.472 2.308 10 30 EEEEHO CC#CC[N@@H+](C)C1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001676082940 1357102687 /nfs/dbraw/zinc/10/26/87/1357102687.db2.gz YLZLQKPLTHXQFN-UHFFFAOYSA-N 1 3 327.472 2.308 10 30 EEEEHO CC(C)[C@H](C(=O)NC[C@@H](C)NCC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001662394585 1354790264 /nfs/dbraw/zinc/79/02/64/1354790264.db2.gz LYYPSOBDYNJVIG-CRAIPNDOSA-N 1 3 349.906 2.372 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC=C)C3)CC1 ZINC001672170477 1356473110 /nfs/dbraw/zinc/47/31/10/1356473110.db2.gz HDRCIYJPBWWIOS-SXLOBPIMSA-N 1 3 343.515 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCC=C)C3)CC1 ZINC001672170477 1356473111 /nfs/dbraw/zinc/47/31/11/1356473111.db2.gz HDRCIYJPBWWIOS-SXLOBPIMSA-N 1 3 343.515 2.267 10 30 EEEEHO C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001699688577 1405441293 /nfs/dbraw/zinc/44/12/93/1405441293.db2.gz GGCAJTOTFVGDNU-LJQANCHMSA-N 1 3 333.520 2.299 10 30 EEEEHO C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 ZINC001699688577 1405441300 /nfs/dbraw/zinc/44/13/00/1405441300.db2.gz GGCAJTOTFVGDNU-LJQANCHMSA-N 1 3 333.520 2.299 10 30 EEEEHO C#CCN1CCC(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000908501968 785486785 /nfs/dbraw/zinc/48/67/85/785486785.db2.gz LNMCMHMJEUEYAZ-UHFFFAOYSA-N 1 3 331.504 2.102 10 30 EEEEHO CC[C@H](C(=O)NC1CCC([NH2+]Cc2ccc(C#N)cc2)CC1)N(C)C ZINC001437091281 1089045091 /nfs/dbraw/zinc/04/50/91/1089045091.db2.gz OKFOQVHHKBCNOW-CTWPCTMYSA-N 1 3 342.487 2.415 10 30 EEEEHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccc(F)c(C#N)c1 ZINC001437169998 1089192022 /nfs/dbraw/zinc/19/20/22/1089192022.db2.gz WGMVWULKVWAKQN-YOEHRIQHSA-N 1 3 346.450 2.166 10 30 EEEEHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccc(F)c(C#N)c1 ZINC001437169998 1089192028 /nfs/dbraw/zinc/19/20/28/1089192028.db2.gz WGMVWULKVWAKQN-YOEHRIQHSA-N 1 3 346.450 2.166 10 30 EEEEHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccc(C#N)s1 ZINC001438310193 1090787935 /nfs/dbraw/zinc/78/79/35/1090787935.db2.gz JELNBVGICPDOEA-LSDHHAIUSA-N 1 3 348.516 2.479 10 30 EEEEHO CC[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccc(C#N)s1 ZINC001438310193 1090787939 /nfs/dbraw/zinc/78/79/39/1090787939.db2.gz JELNBVGICPDOEA-LSDHHAIUSA-N 1 3 348.516 2.479 10 30 EEEEHO C[C@H]1C[C@@H](C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC001439641043 1092563446 /nfs/dbraw/zinc/56/34/46/1092563446.db2.gz UNFLKMRWQNOZQL-YJBOKZPZSA-N 1 3 340.471 2.027 10 30 EEEEHO C[C@H]1C[C@@H](C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001439641043 1092563458 /nfs/dbraw/zinc/56/34/58/1092563458.db2.gz UNFLKMRWQNOZQL-YJBOKZPZSA-N 1 3 340.471 2.027 10 30 EEEEHO CCCN(C)CC(=O)NC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001480058673 1099580127 /nfs/dbraw/zinc/58/01/27/1099580127.db2.gz RQYCRMKCMLPOGB-LJQANCHMSA-N 1 3 345.462 2.003 10 30 EEEEHO O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001480173672 1099753787 /nfs/dbraw/zinc/75/37/87/1099753787.db2.gz MUKDAZPFQRXRRZ-MXVIHJGJSA-N 1 3 339.483 2.151 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]Cc2ccccc2)CC1 ZINC001495146049 1100816594 /nfs/dbraw/zinc/81/65/94/1100816594.db2.gz UXTRIFJHASLROK-LJQANCHMSA-N 1 3 327.472 2.016 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccc(C)cc2)CC1 ZINC001498455736 1107562285 /nfs/dbraw/zinc/56/22/85/1107562285.db2.gz JRVKEOKUFNDFKA-SFHVURJKSA-N 1 3 341.499 2.277 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccc(C)cc2)CC1 ZINC001498455736 1107562292 /nfs/dbraw/zinc/56/22/92/1107562292.db2.gz JRVKEOKUFNDFKA-SFHVURJKSA-N 1 3 341.499 2.277 10 30 EEEEHO C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001501617893 1113401300 /nfs/dbraw/zinc/40/13/00/1113401300.db2.gz GJELXLAVMJKWKH-VQIMIIECSA-N 1 3 337.483 2.050 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001506907722 1114964670 /nfs/dbraw/zinc/96/46/70/1114964670.db2.gz WYOQEUUIWPYNDD-JCNLHEQBSA-N 1 3 346.450 2.022 10 30 EEEEHO C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001507358791 1115219954 /nfs/dbraw/zinc/21/99/54/1115219954.db2.gz VGQNOZCIHWKXNU-IPMKNSEASA-N 1 3 345.531 2.491 10 30 EEEEHO CC#CC[NH2+][C@H](CCNC(=O)C1(N(C)C)CCC1)Cc1ccccc1 ZINC001507390444 1115247055 /nfs/dbraw/zinc/24/70/55/1115247055.db2.gz VSPLFNGUEFHBFP-LJQANCHMSA-N 1 3 341.499 2.201 10 30 EEEEHO CN1CCC(O)(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271075877 464279431 /nfs/dbraw/zinc/27/94/31/464279431.db2.gz OEYUJBXNTGJUBZ-UHFFFAOYSA-N 1 3 327.472 2.437 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)C(C)C ZINC000417070010 466770430 /nfs/dbraw/zinc/77/04/30/466770430.db2.gz UZNSLGDADPXDEG-RCCFBDPRSA-N 1 3 334.508 2.078 10 30 EEEEHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691402257 1178010884 /nfs/dbraw/zinc/01/08/84/1178010884.db2.gz ITMXBKFKZIFQFB-YJBOKZPZSA-N 1 3 325.472 2.308 10 30 EEEEHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691402257 1178010890 /nfs/dbraw/zinc/01/08/90/1178010890.db2.gz ITMXBKFKZIFQFB-YJBOKZPZSA-N 1 3 325.472 2.308 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@@H+](CCC(C)C)C2)CC1 ZINC001481462676 1181465331 /nfs/dbraw/zinc/46/53/31/1181465331.db2.gz VARFDKPOFZSZIC-SFHVURJKSA-N 1 3 333.520 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001481462676 1181465337 /nfs/dbraw/zinc/46/53/37/1181465337.db2.gz VARFDKPOFZSZIC-SFHVURJKSA-N 1 3 333.520 2.206 10 30 EEEEHO CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)NCC#Cc1ccccc1 ZINC001481811505 1182739818 /nfs/dbraw/zinc/73/98/18/1182739818.db2.gz TUMNFFURNIRUBI-VQTJNVASSA-N 1 3 341.499 2.395 10 30 EEEEHO CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)NCC#Cc1ccccc1 ZINC001481811505 1182739823 /nfs/dbraw/zinc/73/98/23/1182739823.db2.gz TUMNFFURNIRUBI-VQTJNVASSA-N 1 3 341.499 2.395 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC2CC(C)(C)C2)C2CC2)CC1 ZINC001269149653 1184003238 /nfs/dbraw/zinc/00/32/38/1184003238.db2.gz SZXPORRFFBBBSD-IBGZPJMESA-N 1 3 345.531 2.252 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CC2=CCCCC2)CC1 ZINC001270605216 1185200216 /nfs/dbraw/zinc/20/02/16/1185200216.db2.gz XABPIPOEINOWBR-KRWDZBQOSA-N 1 3 331.504 2.174 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001271534831 1186294941 /nfs/dbraw/zinc/29/49/41/1186294941.db2.gz OILVHVRRWWCOCQ-DLBZAZTESA-N 1 3 339.911 2.442 10 30 EEEEHO CC(C)[C@@H](C(=O)NC/C=C/CNCc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001483023206 1188012709 /nfs/dbraw/zinc/01/27/09/1188012709.db2.gz WORNVMICERHUEN-QWNKOJSDSA-N 1 3 346.450 2.046 10 30 EEEEHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001483471845 1190494142 /nfs/dbraw/zinc/49/41/42/1190494142.db2.gz WAGBSBIPUXLLOH-SFHVURJKSA-N 1 3 330.476 2.083 10 30 EEEEHO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001485156290 1191668273 /nfs/dbraw/zinc/66/82/73/1191668273.db2.gz GITVHTGCXKKYQF-KGLIPLIRSA-N 1 3 346.450 2.164 10 30 EEEEHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001485217475 1191689756 /nfs/dbraw/zinc/68/97/56/1191689756.db2.gz SCPAIUALYOQSTN-UONOGXRCSA-N 1 3 334.439 2.022 10 30 EEEEHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001279180496 1198403667 /nfs/dbraw/zinc/40/36/67/1198403667.db2.gz DVILDYUTCMYQRP-ZIAGYGMSSA-N 1 3 335.414 2.273 10 30 EEEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000876709043 1199733004 /nfs/dbraw/zinc/73/30/04/1199733004.db2.gz HSXYSEOYOZLWJJ-OLZOCXBDSA-N 1 3 327.881 2.471 10 30 EEEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1N1CCN(CC)CC1 ZINC000876780418 1199770763 /nfs/dbraw/zinc/77/07/63/1199770763.db2.gz UYIKSNMZDQURKL-CQSZACIVSA-N 1 3 336.867 2.237 10 30 EEEEHO C#CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCN(C)CC1 ZINC000886579603 1202526818 /nfs/dbraw/zinc/52/68/18/1202526818.db2.gz AIMXPMILBDRKCY-QGZVFWFLSA-N 1 3 331.504 2.197 10 30 EEEEHO C#CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCN(C)CC1 ZINC000886579603 1202526819 /nfs/dbraw/zinc/52/68/19/1202526819.db2.gz AIMXPMILBDRKCY-QGZVFWFLSA-N 1 3 331.504 2.197 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001275190437 1205278169 /nfs/dbraw/zinc/27/81/69/1205278169.db2.gz UKNYLIRAWKQNLP-YJBOKZPZSA-N 1 3 349.906 2.372 10 30 EEEEHO C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001276821269 1298786006 /nfs/dbraw/zinc/78/60/06/1298786006.db2.gz SGLKTQKEALLJME-VQIMIIECSA-N 1 3 345.487 2.143 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@H](C)CC)C2)CC1 ZINC001263932921 1322556153 /nfs/dbraw/zinc/55/61/53/1322556153.db2.gz FHUSNFXMYVMVFZ-ZIFCJYIRSA-N 1 3 333.520 2.252 10 30 EEEEHO C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)CN(C)C2CCC2)C1 ZINC001264677593 1322779059 /nfs/dbraw/zinc/77/90/59/1322779059.db2.gz DLISSGZOPHMIEB-QGZVFWFLSA-N 1 3 337.508 2.034 10 30 EEEEHO CC[C@H](C(=O)N[C@H](C)CCC[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001283260857 1325976820 /nfs/dbraw/zinc/97/68/20/1325976820.db2.gz POZCRWPUKCRFBO-VQIMIIECSA-N 1 3 347.478 2.392 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCC3CC3)CCCC2)CC1 ZINC001319388812 1332693628 /nfs/dbraw/zinc/69/36/28/1332693628.db2.gz AYQPNIDFXZNUMV-UHFFFAOYSA-N 1 3 331.504 2.150 10 30 EEEEHO C=C(Br)CNCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001320450976 1332887334 /nfs/dbraw/zinc/88/73/34/1332887334.db2.gz SMSVHADUDRSQLE-ZIAGYGMSSA-N 1 3 346.313 2.254 10 30 EEEEHO C=C(Br)CNCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001320450976 1332887340 /nfs/dbraw/zinc/88/73/40/1332887340.db2.gz SMSVHADUDRSQLE-ZIAGYGMSSA-N 1 3 346.313 2.254 10 30 EEEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001326470221 1334099768 /nfs/dbraw/zinc/09/97/68/1334099768.db2.gz ZAUUISKNUNEAED-APWZRJJASA-N 1 3 327.472 2.459 10 30 EEEEHO C#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001326470221 1334099771 /nfs/dbraw/zinc/09/97/71/1334099771.db2.gz ZAUUISKNUNEAED-APWZRJJASA-N 1 3 327.472 2.459 10 30 EEEEHO C=CC[NH2+]C1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001328018836 1334379553 /nfs/dbraw/zinc/37/95/53/1334379553.db2.gz ZWZDRNYLXIIXHM-SFHVURJKSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@H]1CCCN(C)C1)C(C)C ZINC001675964491 1357078396 /nfs/dbraw/zinc/07/83/96/1357078396.db2.gz QBUMPRNEMIFAOU-ROUUACIJSA-N 1 3 336.524 2.421 10 30 EEEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C(F)(F)F ZINC001677049268 1357270590 /nfs/dbraw/zinc/27/05/90/1357270590.db2.gz XMXWJQDSWXWHRK-KBPBESRZSA-N 1 3 347.425 2.273 10 30 EEEEHO C#CCC[NH2+]Cc1ccc(CNC(=O)C2(N(C)C)CCC2)c(F)c1 ZINC001677643785 1357381885 /nfs/dbraw/zinc/38/18/85/1357381885.db2.gz ZPZMGFMJGHUPEH-UHFFFAOYSA-N 1 3 331.435 2.039 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001691758114 1357588027 /nfs/dbraw/zinc/58/80/27/1357588027.db2.gz SKGVRTVZPMXUNU-JENIJYKNSA-N 1 3 331.504 2.171 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001664008636 1355072738 /nfs/dbraw/zinc/07/27/38/1355072738.db2.gz KSMVRRHFIGGBIN-MOPGFXCFSA-N 1 3 340.471 2.123 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001664008636 1355072744 /nfs/dbraw/zinc/07/27/44/1355072744.db2.gz KSMVRRHFIGGBIN-MOPGFXCFSA-N 1 3 340.471 2.123 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccccc1)N(C)C ZINC001675916185 1357069400 /nfs/dbraw/zinc/06/94/00/1357069400.db2.gz TUNTZKLDKHAFPF-ICSRJNTNSA-N 1 3 343.515 2.499 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CNCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001699260965 1405304536 /nfs/dbraw/zinc/30/45/36/1405304536.db2.gz NWAYXIVYFONKMG-WWAPKCSDSA-N 1 3 340.471 2.051 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC/C=C/CNCc2ccc(C#N)cc2)CC[N@H+]1C ZINC001699260965 1405304542 /nfs/dbraw/zinc/30/45/42/1405304542.db2.gz NWAYXIVYFONKMG-WWAPKCSDSA-N 1 3 340.471 2.051 10 30 EEEEHO C#CCN1CCC(C(=O)N(CC)CC[NH2+]Cc2ccccc2C)CC1 ZINC001497500790 1102588696 /nfs/dbraw/zinc/58/86/96/1102588696.db2.gz KSLHDALWNVKXBT-UHFFFAOYSA-N 1 3 341.499 2.278 10 30 EEEEHO CC(C)N(CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(C#N)s1 ZINC001493877335 1103017207 /nfs/dbraw/zinc/01/72/07/1103017207.db2.gz WLBQAZGRXYAKOP-HNNXBMFYSA-N 1 3 348.516 2.288 10 30 EEEEHO CC(C)N(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)s1 ZINC001493877335 1103017223 /nfs/dbraw/zinc/01/72/23/1103017223.db2.gz WLBQAZGRXYAKOP-HNNXBMFYSA-N 1 3 348.516 2.288 10 30 EEEEHO CC[C@H](CNC(=O)CC[N@H+](C)CC)NCC#Cc1ccc(F)cc1 ZINC001495083804 1104722570 /nfs/dbraw/zinc/72/25/70/1104722570.db2.gz JHRAUPPVPIUEOR-GOSISDBHSA-N 1 3 333.451 2.003 10 30 EEEEHO CC[C@H](CNC(=O)CC[N@@H+](C)CC)NCC#Cc1ccc(F)cc1 ZINC001495083804 1104722576 /nfs/dbraw/zinc/72/25/76/1104722576.db2.gz JHRAUPPVPIUEOR-GOSISDBHSA-N 1 3 333.451 2.003 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H](C)F)CC2)CC1 ZINC001568114489 1124309960 /nfs/dbraw/zinc/30/99/60/1124309960.db2.gz IZCLVEVDQBTPFU-SZMVWBNQSA-N 1 3 337.483 2.097 10 30 EEEEHO CC[C@H](C(=O)N[C@H](C)CNCC#Cc1ccccc1)[NH+](CC)CC ZINC001569019208 1125046637 /nfs/dbraw/zinc/04/66/37/1125046637.db2.gz PFKNXRLZYPPJHT-IEBWSBKVSA-N 1 3 329.488 2.253 10 30 EEEEHO C[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594444096 468590860 /nfs/dbraw/zinc/59/08/60/468590860.db2.gz XPJHWPXCNZVXSM-UHOSZYNNSA-N 1 3 342.487 2.424 10 30 EEEEHO C[C@H](NC(=O)[C@@H](N)CCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594444096 468590861 /nfs/dbraw/zinc/59/08/61/468590861.db2.gz XPJHWPXCNZVXSM-UHOSZYNNSA-N 1 3 342.487 2.424 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001266550855 1176818168 /nfs/dbraw/zinc/81/81/68/1176818168.db2.gz FKEIAEYERMMSLL-OOFWQKGWSA-N 1 3 331.504 2.126 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](CC/C=C\CC)C2)CC1 ZINC001266550855 1176818177 /nfs/dbraw/zinc/81/81/77/1176818177.db2.gz FKEIAEYERMMSLL-OOFWQKGWSA-N 1 3 331.504 2.126 10 30 EEEEHO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001691111623 1177594741 /nfs/dbraw/zinc/59/47/41/1177594741.db2.gz OUJLYJMPSKBSFL-MAEOIBBWSA-N 1 3 347.890 2.128 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001691427974 1178322640 /nfs/dbraw/zinc/32/26/40/1178322640.db2.gz HIQJZJWTKOYOFS-NEWSRXKRSA-N 1 3 331.504 2.099 10 30 EEEEHO CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001691427974 1178322647 /nfs/dbraw/zinc/32/26/47/1178322647.db2.gz HIQJZJWTKOYOFS-NEWSRXKRSA-N 1 3 331.504 2.099 10 30 EEEEHO C#CCCN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001481369371 1181144846 /nfs/dbraw/zinc/14/48/46/1181144846.db2.gz OWQCGWDRNWUDHC-WDSOQIARSA-N 1 3 327.472 2.187 10 30 EEEEHO C#CCCN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001481369371 1181144851 /nfs/dbraw/zinc/14/48/51/1181144851.db2.gz OWQCGWDRNWUDHC-WDSOQIARSA-N 1 3 327.472 2.187 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001268543553 1183215372 /nfs/dbraw/zinc/21/53/72/1183215372.db2.gz WLBZANQXEWJARH-GNAXCBTBSA-N 1 3 340.471 2.193 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001268543553 1183215376 /nfs/dbraw/zinc/21/53/76/1183215376.db2.gz WLBZANQXEWJARH-GNAXCBTBSA-N 1 3 340.471 2.193 10 30 EEEEHO C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001484397231 1191330494 /nfs/dbraw/zinc/33/04/94/1191330494.db2.gz CHJZYGZOKGTTQS-NCXUSEDFSA-N 1 3 333.520 2.395 10 30 EEEEHO C=C(Br)C[NH2+]CC[C@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001273018882 1194325070 /nfs/dbraw/zinc/32/50/70/1194325070.db2.gz PSRSKLSKAZDVNB-ZDUSSCGKSA-N 1 3 348.329 2.357 10 30 EEEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001410232505 1197621912 /nfs/dbraw/zinc/62/19/12/1197621912.db2.gz ZSJQGAAGLNIXQG-FPCVCCKLSA-N 1 3 327.900 2.344 10 30 EEEEHO C#CCN(C(=O)c1ccc(NC2=NCCC2)cc1)C1CC[NH+](C)CC1 ZINC000886573501 1202525569 /nfs/dbraw/zinc/52/55/69/1202525569.db2.gz LCORDPIIPDDTLZ-UHFFFAOYSA-N 1 3 338.455 2.460 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001274023336 1204329036 /nfs/dbraw/zinc/32/90/36/1204329036.db2.gz CJFQQMLQOSNLMK-RTLBZRNLSA-N 1 3 340.471 2.193 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001274023336 1204329040 /nfs/dbraw/zinc/32/90/40/1204329040.db2.gz CJFQQMLQOSNLMK-RTLBZRNLSA-N 1 3 340.471 2.193 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001275572053 1205422945 /nfs/dbraw/zinc/42/29/45/1205422945.db2.gz SUGLWJOFHWFKFV-IAGOWNOFSA-N 1 3 333.520 2.395 10 30 EEEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001691743051 1215080601 /nfs/dbraw/zinc/08/06/01/1215080601.db2.gz UMDFXSVITGMZOX-RVKKMQEKSA-N 1 3 325.472 2.259 10 30 EEEEHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001490902332 1254256211 /nfs/dbraw/zinc/25/62/11/1254256211.db2.gz MXWGWOFWYMOUGI-VAMGGRTRSA-N 1 3 339.483 2.149 10 30 EEEEHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001490902332 1254256223 /nfs/dbraw/zinc/25/62/23/1254256223.db2.gz MXWGWOFWYMOUGI-VAMGGRTRSA-N 1 3 339.483 2.149 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CC)c2ccccc2CC)CC1 ZINC001278978222 1318902867 /nfs/dbraw/zinc/90/28/67/1318902867.db2.gz YJSARCMLXNMPGK-HXUWFJFHSA-N 1 3 341.499 2.361 10 30 EEEEHO C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCCN1C(C)C ZINC001264017712 1322585894 /nfs/dbraw/zinc/58/58/94/1322585894.db2.gz LBLSHOCYATZJLV-GUDVDZBRSA-N 1 3 333.520 2.489 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001265503438 1323186545 /nfs/dbraw/zinc/18/65/45/1323186545.db2.gz VCSGWCDTFCOOHO-WGSAOQKQSA-N 1 3 327.472 2.007 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001265503438 1323186549 /nfs/dbraw/zinc/18/65/49/1323186549.db2.gz VCSGWCDTFCOOHO-WGSAOQKQSA-N 1 3 327.472 2.007 10 30 EEEEHO CC#CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001279195630 1323849051 /nfs/dbraw/zinc/84/90/51/1323849051.db2.gz ZDHRMHCHBMFAQQ-LPHOPBHVSA-N 1 3 327.472 2.069 10 30 EEEEHO CC#CCN1CC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001282739190 1325776617 /nfs/dbraw/zinc/77/66/17/1325776617.db2.gz SMVFIOIVJCJGLS-VQIMIIECSA-N 1 3 327.472 2.139 10 30 EEEEHO CC#CCN1CC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001282739190 1325776620 /nfs/dbraw/zinc/77/66/20/1325776620.db2.gz SMVFIOIVJCJGLS-VQIMIIECSA-N 1 3 327.472 2.139 10 30 EEEEHO CC[C@H](C(=O)NC[C@@H](C)NCC#Cc1ccccc1)[NH+](CC)CC ZINC001317262352 1332157381 /nfs/dbraw/zinc/15/73/81/1332157381.db2.gz CEIHIKJKZMNIBD-IEBWSBKVSA-N 1 3 329.488 2.253 10 30 EEEEHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl)N(C)C ZINC001319206401 1332665090 /nfs/dbraw/zinc/66/50/90/1332665090.db2.gz DKNVRXNCZRCBEW-MAUKXSAKSA-N 1 3 349.906 2.374 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCC#Cc1ccccc1)[NH+](C)C ZINC001331546839 1335034888 /nfs/dbraw/zinc/03/48/88/1335034888.db2.gz KYSURYKXQNUKRX-PKOBYXMFSA-N 1 3 329.488 2.061 10 30 EEEEHO C[C@H](CCCNCc1ccc(C#N)cc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001676018864 1357090442 /nfs/dbraw/zinc/09/04/42/1357090442.db2.gz VASZGCRGNKFFLU-RHSMWYFYSA-N 1 3 346.450 2.024 10 30 EEEEHO C[C@H](CCCNCc1ccc(C#N)cc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001676018864 1357090445 /nfs/dbraw/zinc/09/04/45/1357090445.db2.gz VASZGCRGNKFFLU-RHSMWYFYSA-N 1 3 346.450 2.024 10 30 EEEEHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001661498921 1354646327 /nfs/dbraw/zinc/64/63/27/1354646327.db2.gz PUYVHYNDJAWHBH-WGSAOQKQSA-N 1 3 345.462 2.146 10 30 EEEEHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001666458812 1355529364 /nfs/dbraw/zinc/52/93/64/1355529364.db2.gz VQRNJXKLYVPCOJ-QAPCUYQASA-N 1 3 325.472 2.356 10 30 EEEEHO C#CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C1CCN(CC=C)CC1 ZINC001671497193 1356350731 /nfs/dbraw/zinc/35/07/31/1356350731.db2.gz NSERWQYZCKPJHJ-SFHVURJKSA-N 1 3 331.504 2.363 10 30 EEEEHO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001674674432 1356873313 /nfs/dbraw/zinc/87/33/13/1356873313.db2.gz RUPDNFUHFDGAJH-CVEARBPZSA-N 1 3 345.462 2.144 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC2CCCC2)CC1 ZINC001675048894 1356929041 /nfs/dbraw/zinc/92/90/41/1356929041.db2.gz HIXBLTUCLOVFND-KRWDZBQOSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCC2CCCC2)CC1 ZINC001675048894 1356929043 /nfs/dbraw/zinc/92/90/43/1356929043.db2.gz HIXBLTUCLOVFND-KRWDZBQOSA-N 1 3 333.520 2.348 10 30 EEEEHO C=C(Br)CNCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001699113236 1405268717 /nfs/dbraw/zinc/26/87/17/1405268717.db2.gz OZEJIRLFQLCORQ-CYBMUJFWSA-N 1 3 344.297 2.008 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857936 779445409 /nfs/dbraw/zinc/44/54/09/779445409.db2.gz HGNCYDLFPNYMKF-QZTJIDSGSA-N 1 3 333.520 2.347 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857936 779445411 /nfs/dbraw/zinc/44/54/11/779445411.db2.gz HGNCYDLFPNYMKF-QZTJIDSGSA-N 1 3 333.520 2.347 10 30 EEEEHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001440134679 1093200122 /nfs/dbraw/zinc/20/01/22/1093200122.db2.gz JSSIJKNCCMXFQN-HOCLYGCPSA-N 1 3 327.900 2.155 10 30 EEEEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001442338984 1096661212 /nfs/dbraw/zinc/66/12/12/1096661212.db2.gz OKPRMMIPXNHQFQ-CQSZACIVSA-N 1 3 334.439 2.022 10 30 EEEEHO C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001480187504 1099782181 /nfs/dbraw/zinc/78/21/81/1099782181.db2.gz CURMBPIXQOIKIL-RBUKOAKNSA-N 1 3 333.520 2.445 10 30 EEEEHO C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001480187504 1099782186 /nfs/dbraw/zinc/78/21/86/1099782186.db2.gz CURMBPIXQOIKIL-RBUKOAKNSA-N 1 3 333.520 2.445 10 30 EEEEHO CC(C)[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001496603449 1101204392 /nfs/dbraw/zinc/20/43/92/1101204392.db2.gz ROVQIEJUELNTTR-APWZRJJASA-N 1 3 342.487 2.130 10 30 EEEEHO C[C@H](CNCc1ccccc1C#N)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001495732952 1101500311 /nfs/dbraw/zinc/50/03/11/1101500311.db2.gz ZVEMGRMWGDOGGN-IKGGRYGDSA-N 1 3 342.487 2.130 10 30 EEEEHO C[C@H](CNCc1ccccc1C#N)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001495732952 1101500317 /nfs/dbraw/zinc/50/03/17/1101500317.db2.gz ZVEMGRMWGDOGGN-IKGGRYGDSA-N 1 3 342.487 2.130 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001495810543 1101625986 /nfs/dbraw/zinc/62/59/86/1101625986.db2.gz BMUWKZUJEVMTSN-MRXNPFEDSA-N 1 3 349.906 2.374 10 30 EEEEHO CCCN(C)CC(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480805084 1107148275 /nfs/dbraw/zinc/14/82/75/1107148275.db2.gz DUORSGQMIBCTFY-MRXNPFEDSA-N 1 3 333.451 2.003 10 30 EEEEHO CC#CC[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001501651587 1113416212 /nfs/dbraw/zinc/41/62/12/1113416212.db2.gz QKNBWDRNYABNBD-QGZVFWFLSA-N 1 3 327.472 2.213 10 30 EEEEHO C#CCCN(C)Cc1ccccc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001501663070 1113421850 /nfs/dbraw/zinc/42/18/50/1113421850.db2.gz LUHKBJVNSRZKMA-FQEVSTJZSA-N 1 3 339.483 2.100 10 30 EEEEHO C#CCCN1CCc2c(CNC(=O)CCCC[NH+](C)C)cccc2C1 ZINC001501857028 1113499420 /nfs/dbraw/zinc/49/94/20/1113499420.db2.gz YTJAGRVFKLAQOD-UHFFFAOYSA-N 1 3 341.499 2.416 10 30 EEEEHO C#CCN1CCC(C(=O)NC2CC(C[NH2+]CC/C=C/CC)C2)CC1 ZINC001505537912 1114039426 /nfs/dbraw/zinc/03/94/26/1114039426.db2.gz PLLUYZCCBAXDFP-AATRIKPKSA-N 1 3 331.504 2.172 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568279102 1124401259 /nfs/dbraw/zinc/40/12/59/1124401259.db2.gz IWGIIWASYBKMDE-QUCCMNQESA-N 1 3 341.499 2.349 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568279102 1124401262 /nfs/dbraw/zinc/40/12/62/1124401262.db2.gz IWGIIWASYBKMDE-QUCCMNQESA-N 1 3 341.499 2.349 10 30 EEEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nc2ccccc2n1C1CC1 ZINC000183836425 781922730 /nfs/dbraw/zinc/92/27/30/781922730.db2.gz PVXOOWYVTBOFNA-OAHLLOKOSA-N 1 3 340.475 2.260 10 30 EEEEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cn3ccccc3c2C#N)CC1 ZINC000069658768 463296948 /nfs/dbraw/zinc/29/69/48/463296948.db2.gz XCDFVWXVUXSTAC-MRXNPFEDSA-N 1 3 340.471 2.336 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C(C)C ZINC000417058333 466767738 /nfs/dbraw/zinc/76/77/38/466767738.db2.gz FJRLHUQHDCGTNB-ZWKOTPCHSA-N 1 3 334.508 2.221 10 30 EEEEHO C=CCOc1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414971460 467458929 /nfs/dbraw/zinc/45/89/29/467458929.db2.gz IRYIRQWZUSRLDY-MRXNPFEDSA-N 1 3 343.393 2.177 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)NCc2ccccc2C[NH2+]C)CC1 ZINC000652147331 471244852 /nfs/dbraw/zinc/24/48/52/471244852.db2.gz QSECBFVDRMFXLF-UHFFFAOYSA-N 1 3 330.476 2.246 10 30 EEEEHO C=CCCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CN1CCCC1)CC2 ZINC001485674105 1191893271 /nfs/dbraw/zinc/89/32/71/1191893271.db2.gz XOTKEFYFKGGPEA-SFHVURJKSA-N 1 3 349.519 2.036 10 30 EEEEHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC#Cc2ccccc2)CC1 ZINC001485754345 1191923743 /nfs/dbraw/zinc/92/37/43/1191923743.db2.gz BSKFVHPKQYRGCL-FQEVSTJZSA-N 1 3 339.483 2.055 10 30 EEEEHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC#Cc2ccccc2)CC1 ZINC001485754345 1191923746 /nfs/dbraw/zinc/92/37/46/1191923746.db2.gz BSKFVHPKQYRGCL-FQEVSTJZSA-N 1 3 339.483 2.055 10 30 EEEEHO CCCN(C)CC(=O)NC[C@@H](CC)[NH2+]CC#Cc1ccc(F)cc1 ZINC001481871129 1182832095 /nfs/dbraw/zinc/83/20/95/1182832095.db2.gz UZAZRUCVSJDRLQ-GOSISDBHSA-N 1 3 333.451 2.003 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CC2=CCCCC2)CC1 ZINC001269515700 1184342063 /nfs/dbraw/zinc/34/20/63/1184342063.db2.gz HOLFALFSMOXOCK-IBGZPJMESA-N 1 3 331.504 2.316 10 30 EEEEHO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001484470592 1191374982 /nfs/dbraw/zinc/37/49/82/1191374982.db2.gz KSLDMIOTCQNGDW-GVDBMIGSSA-N 1 3 325.472 2.165 10 30 EEEEHO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](F)CN(CC)CC)[C@@H]2C1 ZINC001484470592 1191374983 /nfs/dbraw/zinc/37/49/83/1191374983.db2.gz KSLDMIOTCQNGDW-GVDBMIGSSA-N 1 3 325.472 2.165 10 30 EEEEHO CC#CCN1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC001484579672 1191425175 /nfs/dbraw/zinc/42/51/75/1191425175.db2.gz GKOPEZIDHLDVDG-UHFFFAOYSA-N 1 3 345.531 2.446 10 30 EEEEHO C=CCOCCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001489270829 1290498483 /nfs/dbraw/zinc/49/84/83/1290498483.db2.gz CMNDELRAHBVAEB-NZSAHSFTSA-N 1 3 349.519 2.175 10 30 EEEEHO C=CCOCCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001489270829 1290498486 /nfs/dbraw/zinc/49/84/86/1290498486.db2.gz CMNDELRAHBVAEB-NZSAHSFTSA-N 1 3 349.519 2.175 10 30 EEEEHO C#CCN1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001278607070 1317347444 /nfs/dbraw/zinc/34/74/44/1317347444.db2.gz CLYLXPBLUBEOQC-SFHVURJKSA-N 1 3 345.531 2.493 10 30 EEEEHO C#CCN1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001278607070 1317347455 /nfs/dbraw/zinc/34/74/55/1317347455.db2.gz CLYLXPBLUBEOQC-SFHVURJKSA-N 1 3 345.531 2.493 10 30 EEEEHO CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001264677994 1322779720 /nfs/dbraw/zinc/77/97/20/1322779720.db2.gz NCAPZWHDJSKLGG-DLBZAZTESA-N 1 3 325.472 2.050 10 30 EEEEHO CC(C)[C@@H](C(=O)NC[C@H](NCC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001265378277 1323106836 /nfs/dbraw/zinc/10/68/36/1323106836.db2.gz JCFKZFRCMKYJHP-PMACEKPBSA-N 1 3 341.499 2.109 10 30 EEEEHO CC#CC[N@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001266083134 1323640692 /nfs/dbraw/zinc/64/06/92/1323640692.db2.gz VAMWVGVFNYIHMH-GOSISDBHSA-N 1 3 325.472 2.050 10 30 EEEEHO CC#CC[N@@H+](CC)CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001266083134 1323640700 /nfs/dbraw/zinc/64/07/00/1323640700.db2.gz VAMWVGVFNYIHMH-GOSISDBHSA-N 1 3 325.472 2.050 10 30 EEEEHO CC[C@@H](C(=O)NC[C@@H](C)NCC#Cc1ccccc1)[NH+](CC)CC ZINC001317262353 1332157211 /nfs/dbraw/zinc/15/72/11/1332157211.db2.gz CEIHIKJKZMNIBD-MJGOQNOKSA-N 1 3 329.488 2.253 10 30 EEEEHO C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001328812419 1334528222 /nfs/dbraw/zinc/52/82/22/1334528222.db2.gz NMMIGOIFOUUHKL-IBGZPJMESA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001328812419 1334528226 /nfs/dbraw/zinc/52/82/26/1334528226.db2.gz NMMIGOIFOUUHKL-IBGZPJMESA-N 1 3 333.520 2.302 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CCC([C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC001335459293 1336378711 /nfs/dbraw/zinc/37/87/11/1336378711.db2.gz FGWUGZLDFLZANB-KRWDZBQOSA-N 1 3 348.535 2.448 10 30 EEEEHO C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001671784730 1356413944 /nfs/dbraw/zinc/41/39/44/1356413944.db2.gz KSCGFMBSIKDEIA-OALUTQOASA-N 1 3 337.483 2.050 10 30 EEEEHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1cccc(C#N)c1)C(C)C)N(C)C ZINC001438838906 1091469767 /nfs/dbraw/zinc/46/97/67/1091469767.db2.gz VVWNPRKDSIPUSD-ZWKOTPCHSA-N 1 3 330.476 2.129 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1cccc(C#N)c1 ZINC001440189229 1093252627 /nfs/dbraw/zinc/25/26/27/1093252627.db2.gz IOFZZNRWUOAICJ-RBUKOAKNSA-N 1 3 340.471 2.075 10 30 EEEEHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCc1ccc(C#N)s1 ZINC001441914640 1096090801 /nfs/dbraw/zinc/09/08/01/1096090801.db2.gz LMNIODDQSLYUNL-CYBMUJFWSA-N 1 3 334.489 2.088 10 30 EEEEHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001442262391 1096565915 /nfs/dbraw/zinc/56/59/15/1096565915.db2.gz VJDLACYPVOTSPJ-UHFFFAOYSA-N 1 3 346.450 2.117 10 30 EEEEHO C[C@@H](CNCC#Cc1cccc(Cl)c1)N(C)C(=O)CCC[NH+](C)C ZINC001496145288 1102133837 /nfs/dbraw/zinc/13/38/37/1102133837.db2.gz PDPMCIAMIOLOGG-INIZCTEOSA-N 1 3 349.906 2.470 10 30 EEEEHO CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCCN1CC ZINC001497500298 1102588600 /nfs/dbraw/zinc/58/86/00/1102588600.db2.gz FEOKJAYJTWKGQI-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCC2=CCCCC2)CC1 ZINC001497991183 1106746453 /nfs/dbraw/zinc/74/64/53/1106746453.db2.gz WJLSBEAMAVWQPF-QGZVFWFLSA-N 1 3 331.504 2.316 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001498106803 1106929528 /nfs/dbraw/zinc/92/95/28/1106929528.db2.gz WPTJENHFOQBBCP-HNNXBMFYSA-N 1 3 347.890 2.128 10 30 EEEEHO C=C(Cl)CNCC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001506523619 1114673109 /nfs/dbraw/zinc/67/31/09/1114673109.db2.gz YDMBQECETOAJQE-UHFFFAOYSA-N 1 3 325.884 2.243 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001568969053 1125005432 /nfs/dbraw/zinc/00/54/32/1125005432.db2.gz HJFHUWQIWVOSCU-HKDUCHBNSA-N 1 3 343.515 2.030 10 30 EEEEHO C[C@@H](CNCC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569058707 1125071036 /nfs/dbraw/zinc/07/10/36/1125071036.db2.gz QOUKYRDEWNBOQH-HDMKZQKVSA-N 1 3 347.890 2.126 10 30 EEEEHO C[C@@H](CNCC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569058707 1125071043 /nfs/dbraw/zinc/07/10/43/1125071043.db2.gz QOUKYRDEWNBOQH-HDMKZQKVSA-N 1 3 347.890 2.126 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000247597920 464697409 /nfs/dbraw/zinc/69/74/09/464697409.db2.gz SWIVOBUZYNCXGX-ZWKOTPCHSA-N 1 3 334.508 2.175 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000247597920 464697413 /nfs/dbraw/zinc/69/74/13/464697413.db2.gz SWIVOBUZYNCXGX-ZWKOTPCHSA-N 1 3 334.508 2.175 10 30 EEEEHO CCC[C@]1(CO)CCCN1CC#CC[N@@H+]1CCC[C@]1(CO)CCC ZINC000515470374 467993763 /nfs/dbraw/zinc/99/37/63/467993763.db2.gz SMNCNQWTMLCCMX-BGYRXZFFSA-N 1 3 336.520 2.244 10 30 EEEEHO CCC[C@]1(CO)CCCN1CC#CC[N@H+]1CCC[C@]1(CO)CCC ZINC000515470374 467993767 /nfs/dbraw/zinc/99/37/67/467993767.db2.gz SMNCNQWTMLCCMX-BGYRXZFFSA-N 1 3 336.520 2.244 10 30 EEEEHO CCC[C@]1(CO)CCC[N@H+]1CC#CCN1CCC[C@]1(CO)CCC ZINC000515470374 467993768 /nfs/dbraw/zinc/99/37/68/467993768.db2.gz SMNCNQWTMLCCMX-BGYRXZFFSA-N 1 3 336.520 2.244 10 30 EEEEHO CCC[C@]1(CO)CCC[N@@H+]1CC#CCN1CCC[C@]1(CO)CCC ZINC000515470374 467993771 /nfs/dbraw/zinc/99/37/71/467993771.db2.gz SMNCNQWTMLCCMX-BGYRXZFFSA-N 1 3 336.520 2.244 10 30 EEEEHO C=CCOc1ccccc1CNC1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000663502200 471402461 /nfs/dbraw/zinc/40/24/61/471402461.db2.gz FFANXDSSKQAJOQ-UHFFFAOYSA-N 1 3 345.487 2.332 10 30 EEEEHO CC[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262015179 682847646 /nfs/dbraw/zinc/84/76/46/682847646.db2.gz XOASTFJYFFGJMZ-GDBMZVCRSA-N 1 3 346.475 2.199 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+](CCCC(C)C)C2)CC1 ZINC001485540818 1191828715 /nfs/dbraw/zinc/82/87/15/1191828715.db2.gz UZLJPPCVFLKJEI-KRWDZBQOSA-N 1 3 333.520 2.204 10 30 EEEEHO C=C(C)CN[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001267361940 1178838511 /nfs/dbraw/zinc/83/85/11/1178838511.db2.gz LYULVAQXNGJEOY-MOPGFXCFSA-N 1 3 327.472 2.351 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CCC2CCCC2)CC1 ZINC001267831140 1180600596 /nfs/dbraw/zinc/60/05/96/1180600596.db2.gz LZBFZLKPZUBHEK-LJQANCHMSA-N 1 3 333.520 2.396 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)CCC[NH+]1CCCC1 ZINC001481317948 1181017838 /nfs/dbraw/zinc/01/78/38/1181017838.db2.gz NSCYRJMVEYIJQR-UHFFFAOYSA-N 1 3 334.489 2.044 10 30 EEEEHO CC(C)[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC#Cc1ccccc1 ZINC001268214532 1182024288 /nfs/dbraw/zinc/02/42/88/1182024288.db2.gz YCSQGXUZOHLGGJ-IBGZPJMESA-N 1 3 341.499 2.253 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001268398806 1182480289 /nfs/dbraw/zinc/48/02/89/1182480289.db2.gz PLOGLFIHPCXJAP-CRAIPNDOSA-N 1 3 330.476 2.129 10 30 EEEEHO CCCN(C)CC(=O)NC[C@H](CC)[NH2+]CC#Cc1ccc(F)cc1 ZINC001481871134 1182831784 /nfs/dbraw/zinc/83/17/84/1182831784.db2.gz UZAZRUCVSJDRLQ-SFHVURJKSA-N 1 3 333.451 2.003 10 30 EEEEHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC#Cc1ccc(F)cc1 ZINC001269460538 1184282110 /nfs/dbraw/zinc/28/21/10/1184282110.db2.gz JINQTIHLOJTKST-GOSISDBHSA-N 1 3 345.462 2.003 10 30 EEEEHO C=C(Cl)CNC1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001482228877 1184351906 /nfs/dbraw/zinc/35/19/06/1184351906.db2.gz OZAVNEUSQBOKHF-GJZGRUSLSA-N 1 3 327.900 2.488 10 30 EEEEHO C=C(Cl)CNC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001482228877 1184351911 /nfs/dbraw/zinc/35/19/11/1184351911.db2.gz OZAVNEUSQBOKHF-GJZGRUSLSA-N 1 3 327.900 2.488 10 30 EEEEHO C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001409406286 1189633978 /nfs/dbraw/zinc/63/39/78/1189633978.db2.gz LRKHWCBNJFMHMW-KGLIPLIRSA-N 1 3 346.450 2.022 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001483244501 1190273192 /nfs/dbraw/zinc/27/31/92/1190273192.db2.gz ZJMWXSBTHJOHAK-WMLDXEAASA-N 1 3 348.516 2.334 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001483244501 1190273196 /nfs/dbraw/zinc/27/31/96/1190273196.db2.gz ZJMWXSBTHJOHAK-WMLDXEAASA-N 1 3 348.516 2.334 10 30 EEEEHO C=CCC[NH2+]C[C@@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001483587540 1190573394 /nfs/dbraw/zinc/57/33/94/1190573394.db2.gz HPEBZBCOUXEBKS-QAPCUYQASA-N 1 3 325.472 2.259 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCCC(C)(C)C)CC2)CC1 ZINC001483794014 1191033680 /nfs/dbraw/zinc/03/36/80/1191033680.db2.gz CKANJRHCCWZCDT-UHFFFAOYSA-N 1 3 333.520 2.396 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CCC[N@H+](C)Cc2ccsc2)CC1 ZINC001484769466 1191512368 /nfs/dbraw/zinc/51/23/68/1191512368.db2.gz VQAINGDDLVBFMK-UHFFFAOYSA-N 1 3 347.528 2.374 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CCC[N@@H+](C)Cc2ccsc2)CC1 ZINC001484769466 1191512369 /nfs/dbraw/zinc/51/23/69/1191512369.db2.gz VQAINGDDLVBFMK-UHFFFAOYSA-N 1 3 347.528 2.374 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001273018787 1194325177 /nfs/dbraw/zinc/32/51/77/1194325177.db2.gz OSBGXQBEWLUUAA-GJZGRUSLSA-N 1 3 346.450 2.024 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000900465581 1234384591 /nfs/dbraw/zinc/38/45/91/1234384591.db2.gz SPQFHWGITZJDMW-UHFFFAOYSA-N 1 3 344.503 2.055 10 30 EEEEHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1)N(C)C ZINC001490711397 1291597437 /nfs/dbraw/zinc/59/74/37/1291597437.db2.gz COCCNPAIAZWGFW-MOPGFXCFSA-N 1 3 345.462 2.002 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H](C)CCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001277362145 1302656045 /nfs/dbraw/zinc/65/60/45/1302656045.db2.gz BFEGTWSFJGEADG-QGZVFWFLSA-N 1 3 347.478 2.392 10 30 EEEEHO C#CCN1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001277466346 1303451006 /nfs/dbraw/zinc/45/10/06/1303451006.db2.gz YIWGCCLLQOEXDM-FQEVSTJZSA-N 1 3 345.531 2.446 10 30 EEEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001279002892 1318970359 /nfs/dbraw/zinc/97/03/59/1318970359.db2.gz QVIMCUMMBSXGOV-KXBFYZLASA-N 1 3 339.499 2.343 10 30 EEEEHO C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001281073087 1324753441 /nfs/dbraw/zinc/75/34/41/1324753441.db2.gz UMRDHSYELZJQJG-XLIONFOSSA-N 1 3 341.499 2.447 10 30 EEEEHO C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001281073087 1324753446 /nfs/dbraw/zinc/75/34/46/1324753446.db2.gz UMRDHSYELZJQJG-XLIONFOSSA-N 1 3 341.499 2.447 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001318805947 1332601803 /nfs/dbraw/zinc/60/18/03/1332601803.db2.gz TYFRRHCDSBJBDC-WBVHZDCISA-N 1 3 339.911 2.299 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001320642811 1332927219 /nfs/dbraw/zinc/92/72/19/1332927219.db2.gz BCMVPMQJKQYYLG-QFBILLFUSA-N 1 3 342.487 2.417 10 30 EEEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001569597393 1342905748 /nfs/dbraw/zinc/90/57/48/1342905748.db2.gz CLDCBBJQOOMEMT-UHFFFAOYSA-N 1 3 341.499 2.453 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCCC)C2)CC1 ZINC001676974657 1357253106 /nfs/dbraw/zinc/25/31/06/1357253106.db2.gz LLBDUBQEWCTUEI-MJGOQNOKSA-N 1 3 333.520 2.396 10 30 EEEEHO C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001671908121 1356436671 /nfs/dbraw/zinc/43/66/71/1356436671.db2.gz PDLLMJOBHIAHQE-AZUAARDMSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001671908121 1356436674 /nfs/dbraw/zinc/43/66/74/1356436674.db2.gz PDLLMJOBHIAHQE-AZUAARDMSA-N 1 3 333.520 2.493 10 30 EEEEHO C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001673376760 1356679933 /nfs/dbraw/zinc/67/99/33/1356679933.db2.gz UWMOZSABUCNKFQ-ZWKOTPCHSA-N 1 3 337.508 2.033 10 30 EEEEHO C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001673376760 1356679937 /nfs/dbraw/zinc/67/99/37/1356679937.db2.gz UWMOZSABUCNKFQ-ZWKOTPCHSA-N 1 3 337.508 2.033 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001674771923 1356893520 /nfs/dbraw/zinc/89/35/20/1356893520.db2.gz COUBZSHOFQFBGV-SJORKVTESA-N 1 3 333.520 2.395 10 30 EEEEHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941075218 779794665 /nfs/dbraw/zinc/79/46/65/779794665.db2.gz ILASYAMJGUFPKI-MSOLQXFVSA-N 1 3 333.520 2.489 10 30 EEEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941075218 779794671 /nfs/dbraw/zinc/79/46/71/779794671.db2.gz ILASYAMJGUFPKI-MSOLQXFVSA-N 1 3 333.520 2.489 10 30 EEEEHO C#CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)C1CCCCC1 ZINC000820069402 785768705 /nfs/dbraw/zinc/76/87/05/785768705.db2.gz XBSYDJKOBPEJRT-KRWDZBQOSA-N 1 3 336.524 2.236 10 30 EEEEHO C#CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)C1CCCCC1 ZINC000820069402 785768709 /nfs/dbraw/zinc/76/87/09/785768709.db2.gz XBSYDJKOBPEJRT-KRWDZBQOSA-N 1 3 336.524 2.236 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H](C)CNCc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001439182764 1091831377 /nfs/dbraw/zinc/83/13/77/1091831377.db2.gz UARLCXOGSOMBFG-PBHICJAKSA-N 1 3 348.516 2.334 10 30 EEEEHO CC(C)[C@@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]Cc1ccccc1C#N ZINC001448557383 1093602677 /nfs/dbraw/zinc/60/26/77/1093602677.db2.gz ZUDJDVLWLPYHDZ-MOPGFXCFSA-N 1 3 342.487 2.273 10 30 EEEEHO C#CCN(C)CCCNC(=O)C1(c2ccccc2)CC[NH+](CC)CC1 ZINC001450494828 1094767047 /nfs/dbraw/zinc/76/70/47/1094767047.db2.gz XBKFJHIJQACEDT-UHFFFAOYSA-N 1 3 341.499 2.111 10 30 EEEEHO CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[N@@H+](C)CCC ZINC001479613833 1098637269 /nfs/dbraw/zinc/63/72/69/1098637269.db2.gz OHZOUBVHQRWMFI-NZSAHSFTSA-N 1 3 333.520 2.347 10 30 EEEEHO CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[N@H+](C)CCC ZINC001479613833 1098637276 /nfs/dbraw/zinc/63/72/76/1098637276.db2.gz OHZOUBVHQRWMFI-NZSAHSFTSA-N 1 3 333.520 2.347 10 30 EEEEHO CC1CCN(CC(=O)N(C)CCC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC001498630305 1107843136 /nfs/dbraw/zinc/84/31/36/1107843136.db2.gz NXSFGEGEVBTNHJ-UHFFFAOYSA-N 1 3 348.516 2.290 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2(C)CC[NH+](CCC3CC3)CC2)CC1 ZINC001500461917 1112850248 /nfs/dbraw/zinc/85/02/48/1112850248.db2.gz CBWGPCTVLFIHOW-UHFFFAOYSA-N 1 3 345.531 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)NC2CC(C[NH2+]CC/C=C\CC)C2)CC1 ZINC001505537913 1114039203 /nfs/dbraw/zinc/03/92/03/1114039203.db2.gz PLLUYZCCBAXDFP-WAYWQWQTSA-N 1 3 331.504 2.172 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC2CC[NH+](CCCC)CC2)CC1 ZINC001568132229 1124320164 /nfs/dbraw/zinc/32/01/64/1124320164.db2.gz RLFMWPLLFSCWQY-UHFFFAOYSA-N 1 3 333.520 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2cccc(F)c2)CC1 ZINC001568713870 1124731126 /nfs/dbraw/zinc/73/11/26/1124731126.db2.gz KGGHMXDCUMIXMX-INIZCTEOSA-N 1 3 345.462 2.155 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]CC=C(Cl)Cl)CC1 ZINC001568714844 1124732536 /nfs/dbraw/zinc/73/25/36/1124732536.db2.gz ZYTIHHXLKVFWCF-CYBMUJFWSA-N 1 3 346.302 2.135 10 30 EEEEHO C=CCN1CCC(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000073436779 463612517 /nfs/dbraw/zinc/61/25/17/463612517.db2.gz WMGCLGVXDZXFSF-UHFFFAOYSA-N 1 3 342.487 2.373 10 30 EEEEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594438651 468586410 /nfs/dbraw/zinc/58/64/10/468586410.db2.gz PHLPYIJAQNJHMS-BHIYHBOVSA-N 1 3 342.487 2.424 10 30 EEEEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594438651 468586416 /nfs/dbraw/zinc/58/64/16/468586416.db2.gz PHLPYIJAQNJHMS-BHIYHBOVSA-N 1 3 342.487 2.424 10 30 EEEEHO CN1CCC(Oc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600740191 468644256 /nfs/dbraw/zinc/64/42/56/468644256.db2.gz HDBYJMQGNVQCRX-KRWDZBQOSA-N 1 3 343.471 2.304 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cccc(-n2cccn2)c1C#N ZINC000596362851 469251200 /nfs/dbraw/zinc/25/12/00/469251200.db2.gz OZUOIGZFNYQEMM-INIZCTEOSA-N 1 3 340.475 2.428 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cccc(-n2cccn2)c1C#N ZINC000596362851 469251205 /nfs/dbraw/zinc/25/12/05/469251205.db2.gz OZUOIGZFNYQEMM-INIZCTEOSA-N 1 3 340.475 2.428 10 30 EEEEHO COc1ccc(CNC(=[NH2+])NCCN(C)C2CCCCC2)cc1OC ZINC000303872585 686927694 /nfs/dbraw/zinc/92/76/94/686927694.db2.gz CCEQQPUINAVDLE-UHFFFAOYSA-N 1 3 348.491 2.373 10 30 EEEEHO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267685038 1180157471 /nfs/dbraw/zinc/15/74/71/1180157471.db2.gz XDSVTJPFKAOUSG-LPHOPBHVSA-N 1 3 337.483 2.003 10 30 EEEEHO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267685038 1180157476 /nfs/dbraw/zinc/15/74/76/1180157476.db2.gz XDSVTJPFKAOUSG-LPHOPBHVSA-N 1 3 337.483 2.003 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481985938 1183088910 /nfs/dbraw/zinc/08/89/10/1183088910.db2.gz XMCGPIQEAJCLSJ-OAHLLOKOSA-N 1 3 327.900 2.299 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001691508401 1185363969 /nfs/dbraw/zinc/36/39/69/1185363969.db2.gz NCWIXRSISFVISF-MOPGFXCFSA-N 1 3 340.471 2.123 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001691508401 1185363974 /nfs/dbraw/zinc/36/39/74/1185363974.db2.gz NCWIXRSISFVISF-MOPGFXCFSA-N 1 3 340.471 2.123 10 30 EEEEHO C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001482698696 1187668406 /nfs/dbraw/zinc/66/84/06/1187668406.db2.gz RPFQAXBAAPOYBM-RBUKOAKNSA-N 1 3 327.472 2.260 10 30 EEEEHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001483097892 1188473632 /nfs/dbraw/zinc/47/36/32/1188473632.db2.gz NIANLDAJLGMSNS-VYRCICMXSA-N 1 3 340.471 2.193 10 30 EEEEHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001483097892 1188473635 /nfs/dbraw/zinc/47/36/35/1188473635.db2.gz NIANLDAJLGMSNS-VYRCICMXSA-N 1 3 340.471 2.193 10 30 EEEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001483681060 1190742352 /nfs/dbraw/zinc/74/23/52/1190742352.db2.gz CUHHAZOHJOMTFK-AQNXPRMDSA-N 1 3 341.499 2.489 10 30 EEEEHO C=CCCCN1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001483681060 1190742356 /nfs/dbraw/zinc/74/23/56/1190742356.db2.gz CUHHAZOHJOMTFK-AQNXPRMDSA-N 1 3 341.499 2.489 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001275572052 1205423017 /nfs/dbraw/zinc/42/30/17/1205423017.db2.gz SUGLWJOFHWFKFV-DLBZAZTESA-N 1 3 333.520 2.395 10 30 EEEEHO CCN(CC)[C@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccsc1 ZINC000852859066 1292217829 /nfs/dbraw/zinc/21/78/29/1292217829.db2.gz NITQMPXDPQARBR-QGZVFWFLSA-N 1 3 333.501 2.250 10 30 EEEEHO C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001276799119 1297874757 /nfs/dbraw/zinc/87/47/57/1297874757.db2.gz HMWJDZGVWOFOHK-SJORKVTESA-N 1 3 339.524 2.136 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001263880265 1322545579 /nfs/dbraw/zinc/54/55/79/1322545579.db2.gz IOYSPXCEUPJHHP-BJLQDIEVSA-N 1 3 347.547 2.498 10 30 EEEEHO CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001264677996 1322779707 /nfs/dbraw/zinc/77/97/07/1322779707.db2.gz NCAPZWHDJSKLGG-IRXDYDNUSA-N 1 3 325.472 2.050 10 30 EEEEHO C=CCOCCN1CC=C(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001279653360 1323971104 /nfs/dbraw/zinc/97/11/04/1323971104.db2.gz AIOYLZABZNUMHK-LJQANCHMSA-N 1 3 349.519 2.200 10 30 EEEEHO C=CCOCCN1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001279653360 1323971106 /nfs/dbraw/zinc/97/11/06/1323971106.db2.gz AIOYLZABZNUMHK-LJQANCHMSA-N 1 3 349.519 2.200 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)CCC2CCCC2)CC1 ZINC001317492231 1332264697 /nfs/dbraw/zinc/26/46/97/1332264697.db2.gz JLSBRAOUUJULJQ-UHFFFAOYSA-N 1 3 333.520 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)CCC2CCCC2)CC1 ZINC001317492231 1332264699 /nfs/dbraw/zinc/26/46/99/1332264699.db2.gz JLSBRAOUUJULJQ-UHFFFAOYSA-N 1 3 333.520 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]CCCC(C)(C)C)CC1 ZINC001321416931 1333098786 /nfs/dbraw/zinc/09/87/86/1333098786.db2.gz MNCUQVQPDQGOIW-VOTSOKGWSA-N 1 3 333.520 2.420 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC3=CCCCC3)CC2)CC1 ZINC001323615973 1333498949 /nfs/dbraw/zinc/49/89/49/1333498949.db2.gz FAPWUVRAKFCWCN-UHFFFAOYSA-N 1 3 329.488 2.070 10 30 EEEEHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001326411021 1334087585 /nfs/dbraw/zinc/08/75/85/1334087585.db2.gz GLLYUHOSSHKXLI-PBHICJAKSA-N 1 3 348.516 2.288 10 30 EEEEHO CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)CN(C)C2CCC2)cc1 ZINC001326468358 1334099440 /nfs/dbraw/zinc/09/94/40/1334099440.db2.gz LGEXYGNNFWVOGZ-MRXNPFEDSA-N 1 3 327.472 2.461 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001330708551 1334889682 /nfs/dbraw/zinc/88/96/82/1334889682.db2.gz OJIIAJAEJGSMCM-SAABIXHNSA-N 1 3 333.520 2.252 10 30 EEEEHO C#CCC1(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)CCCCC1 ZINC001683787925 1358200864 /nfs/dbraw/zinc/20/08/64/1358200864.db2.gz SJHHYTXXTLUQNG-KRWDZBQOSA-N 1 3 336.524 2.284 10 30 EEEEHO C#CCC1(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)CCCCC1 ZINC001683787925 1358200869 /nfs/dbraw/zinc/20/08/69/1358200869.db2.gz SJHHYTXXTLUQNG-KRWDZBQOSA-N 1 3 336.524 2.284 10 30 EEEEHO C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](F)CN(CC)CC)C2)CC1 ZINC001656394532 1354227426 /nfs/dbraw/zinc/22/74/26/1354227426.db2.gz VXAINWAWXLFSSB-IRXDYDNUSA-N 1 3 337.483 2.003 10 30 EEEEHO C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001674352947 1356823307 /nfs/dbraw/zinc/82/33/07/1356823307.db2.gz JKHBWGCWMZFYOT-IBGZPJMESA-N 1 3 333.520 2.445 10 30 EEEEHO C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001674352947 1356823308 /nfs/dbraw/zinc/82/33/08/1356823308.db2.gz JKHBWGCWMZFYOT-IBGZPJMESA-N 1 3 333.520 2.445 10 30 EEEEHO C#CC[NH2+]C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1CCCC1 ZINC001699798722 1405490260 /nfs/dbraw/zinc/49/02/60/1405490260.db2.gz KAISRFIDAOJSTJ-LJQANCHMSA-N 1 3 327.472 2.260 10 30 EEEEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001445446397 1091207951 /nfs/dbraw/zinc/20/79/51/1091207951.db2.gz MBVPHBFNDYADAT-VQIMIIECSA-N 1 3 342.487 2.415 10 30 EEEEHO C=C(Cl)CNC[C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001448532322 1093566926 /nfs/dbraw/zinc/56/69/26/1093566926.db2.gz ZHWGYPRZBDHBEQ-KOMQPUFPSA-N 1 3 327.900 2.344 10 30 EEEEHO C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001479597607 1098625187 /nfs/dbraw/zinc/62/51/87/1098625187.db2.gz PBYQOPHCKCKBOK-IPMKNSEASA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]Cc2ccccc2)CC1 ZINC001495146046 1100815489 /nfs/dbraw/zinc/81/54/89/1100815489.db2.gz UXTRIFJHASLROK-IBGZPJMESA-N 1 3 327.472 2.016 10 30 EEEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CCCC=C)CCCC2)CC1 ZINC001495211175 1100894021 /nfs/dbraw/zinc/89/40/21/1100894021.db2.gz LLOVXQKDISUVBO-UHFFFAOYSA-N 1 3 331.504 2.316 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001497396562 1102427297 /nfs/dbraw/zinc/42/72/97/1102427297.db2.gz GYAPTKHBCOXLLV-QGZVFWFLSA-N 1 3 348.516 2.432 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CCNCc1ccc(C#N)s1 ZINC001497396562 1102427301 /nfs/dbraw/zinc/42/73/01/1102427301.db2.gz GYAPTKHBCOXLLV-QGZVFWFLSA-N 1 3 348.516 2.432 10 30 EEEEHO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001479401011 1110691636 /nfs/dbraw/zinc/69/16/36/1110691636.db2.gz WSNUZFLFAGSOEE-MPGHIAIKSA-N 1 3 325.472 2.259 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCCC)C3)CC1 ZINC001501012945 1113166464 /nfs/dbraw/zinc/16/64/64/1113166464.db2.gz FQDWODLEDGMYCQ-IHPCNDPISA-N 1 3 345.531 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCCC)C3)CC1 ZINC001501012945 1113166466 /nfs/dbraw/zinc/16/64/66/1113166466.db2.gz FQDWODLEDGMYCQ-IHPCNDPISA-N 1 3 345.531 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]C[C@@H](F)CC)CC1 ZINC001501898551 1113515096 /nfs/dbraw/zinc/51/50/96/1113515096.db2.gz QPZZVEMNCHFLCX-ZWKOTPCHSA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCCN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001507372041 1115230509 /nfs/dbraw/zinc/23/05/09/1115230509.db2.gz DNRMQVHPUWCKNW-MSOLQXFVSA-N 1 3 333.520 2.491 10 30 EEEEHO CSC1(CNCc2cnc3ccc(C#N)cn23)CC[NH+](C)CC1 ZINC000353235643 465735396 /nfs/dbraw/zinc/73/53/96/465735396.db2.gz ZTYXWXPXRCZCQI-UHFFFAOYSA-N 1 3 329.473 2.123 10 30 EEEEHO CSC1(C[NH2+]Cc2cnc3ccc(C#N)cn23)CCN(C)CC1 ZINC000353235643 465735401 /nfs/dbraw/zinc/73/54/01/465735401.db2.gz ZTYXWXPXRCZCQI-UHFFFAOYSA-N 1 3 329.473 2.123 10 30 EEEEHO C=C(Br)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC001268958542 1183851109 /nfs/dbraw/zinc/85/11/09/1183851109.db2.gz LQJQJWBYPNMKDN-AWEZNQCLSA-N 1 3 346.313 2.208 10 30 EEEEHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001266878795 1177690652 /nfs/dbraw/zinc/69/06/52/1177690652.db2.gz MMDVAXXZNOCYBE-APWZRJJASA-N 1 3 337.483 2.193 10 30 EEEEHO C[C@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]CC#Cc1ccccc1Cl ZINC001267123960 1178291459 /nfs/dbraw/zinc/29/14/59/1178291459.db2.gz ZGXDIXLMDDJNEA-CRAIPNDOSA-N 1 3 347.890 2.270 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1)N(C)C ZINC001268413991 1182566756 /nfs/dbraw/zinc/56/67/56/1182566756.db2.gz PLOGLFIHPCXJAP-YJBOKZPZSA-N 1 3 330.476 2.129 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001268414338 1182568727 /nfs/dbraw/zinc/56/87/27/1182568727.db2.gz SUTPWKRCQYZUEZ-APWZRJJASA-N 1 3 347.478 2.248 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@](C)(C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001481952748 1183023842 /nfs/dbraw/zinc/02/38/42/1183023842.db2.gz TWZXVFADHAHLEX-SFHVURJKSA-N 1 3 348.516 2.334 10 30 EEEEHO CC[C@@H](C(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1)N(C)C ZINC001482235352 1184460634 /nfs/dbraw/zinc/46/06/34/1184460634.db2.gz BSORWKJYYBCXKT-IBGZPJMESA-N 1 3 341.499 2.397 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@H+](C)CC2CCCCC2)CC1 ZINC001276013770 1205637090 /nfs/dbraw/zinc/63/70/90/1205637090.db2.gz ZPKXZABTODKGJN-KRWDZBQOSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC2CCCCC2)CC1 ZINC001276013770 1205637091 /nfs/dbraw/zinc/63/70/91/1205637091.db2.gz ZPKXZABTODKGJN-KRWDZBQOSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037119467 1213851876 /nfs/dbraw/zinc/85/18/76/1213851876.db2.gz CSQYWLWMDBQHGW-WOJBJXKFSA-N 1 3 345.531 2.396 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001277473682 1303560439 /nfs/dbraw/zinc/56/04/39/1303560439.db2.gz HUHXARNXUQMFCN-HXUWFJFHSA-N 1 3 333.520 2.302 10 30 EEEEHO CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001277473682 1303560444 /nfs/dbraw/zinc/56/04/44/1303560444.db2.gz HUHXARNXUQMFCN-HXUWFJFHSA-N 1 3 333.520 2.302 10 30 EEEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001266235156 1323818473 /nfs/dbraw/zinc/81/84/73/1323818473.db2.gz SAEBQZILFZQAJH-HOCLYGCPSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CN1CCC[C@@H]1CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001266235156 1323818479 /nfs/dbraw/zinc/81/84/79/1323818479.db2.gz SAEBQZILFZQAJH-HOCLYGCPSA-N 1 3 327.900 2.442 10 30 EEEEHO CC#CC[NH2+][C@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001283456925 1326079965 /nfs/dbraw/zinc/07/99/65/1326079965.db2.gz KALQITBIXJSXRN-APWZRJJASA-N 1 3 339.499 2.343 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CC2CCCCCC2)CC1 ZINC001491682678 1330204304 /nfs/dbraw/zinc/20/43/04/1330204304.db2.gz NXROAMLORRGRKI-KRWDZBQOSA-N 1 3 333.520 2.396 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)Cc2cccc(CC)c2)CC1 ZINC001317472321 1331547934 /nfs/dbraw/zinc/54/79/34/1331547934.db2.gz ZXBRAKGFFMMPEE-UHFFFAOYSA-N 1 3 341.499 2.142 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)Cc2cccc(CC)c2)CC1 ZINC001317472321 1331547936 /nfs/dbraw/zinc/54/79/36/1331547936.db2.gz ZXBRAKGFFMMPEE-UHFFFAOYSA-N 1 3 341.499 2.142 10 30 EEEEHO CC#CCNC[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001671337284 1356329473 /nfs/dbraw/zinc/32/94/73/1356329473.db2.gz FLZFXSFEMAHSNN-OALUTQOASA-N 1 3 331.504 2.387 10 30 EEEEHO CC#CCNC[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001671337284 1356329474 /nfs/dbraw/zinc/32/94/74/1356329474.db2.gz FLZFXSFEMAHSNN-OALUTQOASA-N 1 3 331.504 2.387 10 30 EEEEHO C#CCN1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC001673013599 1356631986 /nfs/dbraw/zinc/63/19/86/1356631986.db2.gz UWCDRHQTAXXNMR-UHFFFAOYSA-N 1 3 331.504 2.056 10 30 EEEEHO C#CCN(C(=O)NCCCC[NH+]1CCC(C)CC1)C1CCN(C)CC1 ZINC000914098221 794867949 /nfs/dbraw/zinc/86/79/49/794867949.db2.gz XZSIZNDBLBRBHP-UHFFFAOYSA-N 1 3 348.535 2.238 10 30 EEEEHO C#CC[C@H]1CCCN(CC2(C[N@@H+]3CCC[C@H](CC#C)C3)COC2)C1 ZINC000829810292 805405582 /nfs/dbraw/zinc/40/55/82/805405582.db2.gz NMAWSCAODBBYGX-PMACEKPBSA-N 1 3 328.500 2.474 10 30 EEEEHO C#CC[C@H]1CCCN(CC2(C[N@H+]3CCC[C@H](CC#C)C3)COC2)C1 ZINC000829810292 805405590 /nfs/dbraw/zinc/40/55/90/805405590.db2.gz NMAWSCAODBBYGX-PMACEKPBSA-N 1 3 328.500 2.474 10 30 EEEEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001440753215 1093998334 /nfs/dbraw/zinc/99/83/34/1093998334.db2.gz ZZJYLRWZXDMINM-IBGZPJMESA-N 1 3 342.487 2.321 10 30 EEEEHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001440753215 1093998336 /nfs/dbraw/zinc/99/83/36/1093998336.db2.gz ZZJYLRWZXDMINM-IBGZPJMESA-N 1 3 342.487 2.321 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2C[NH+](CC/C=C/CCC)C2)CC1 ZINC001494633727 1104217286 /nfs/dbraw/zinc/21/72/86/1104217286.db2.gz TVZREGSJVQJIFM-VOTSOKGWSA-N 1 3 331.504 2.126 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001493569561 1108331845 /nfs/dbraw/zinc/33/18/45/1108331845.db2.gz KTEFIPSDSULIAE-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001493569561 1108331861 /nfs/dbraw/zinc/33/18/61/1108331861.db2.gz KTEFIPSDSULIAE-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CCC1 ZINC001502029397 1113565026 /nfs/dbraw/zinc/56/50/26/1113565026.db2.gz WLWDHHWQJIXCJS-UHFFFAOYSA-N 1 3 328.460 2.027 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(Cl)cc1)N(C)C(=O)CCC[NH+](C)C ZINC001568294824 1124408973 /nfs/dbraw/zinc/40/89/73/1124408973.db2.gz IRFGRNYYDCTVOA-INIZCTEOSA-N 1 3 349.906 2.470 10 30 EEEEHO C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)CN1Cc1ccccc1 ZINC000594437795 468586741 /nfs/dbraw/zinc/58/67/41/468586741.db2.gz FNNSGMSLHPXLDZ-BPQIPLTHSA-N 1 3 328.460 2.177 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729205 468638009 /nfs/dbraw/zinc/63/80/09/468638009.db2.gz SMWCIYACNIWTKK-ZWKOTPCHSA-N 1 3 337.508 2.015 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729205 468638016 /nfs/dbraw/zinc/63/80/16/468638016.db2.gz SMWCIYACNIWTKK-ZWKOTPCHSA-N 1 3 337.508 2.015 10 30 EEEEHO CC(C)CN1CCC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729205 468638020 /nfs/dbraw/zinc/63/80/20/468638020.db2.gz SMWCIYACNIWTKK-ZWKOTPCHSA-N 1 3 337.508 2.015 10 30 EEEEHO CN1CCC(N2CC[C@@H]([NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000594925223 468724306 /nfs/dbraw/zinc/72/43/06/468724306.db2.gz QMUKRCGOFWXIGL-LJQANCHMSA-N 1 3 338.499 2.500 10 30 EEEEHO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000595944694 469094673 /nfs/dbraw/zinc/09/46/73/469094673.db2.gz IVWLWQQQJNXXNM-RBUKOAKNSA-N 1 3 342.487 2.173 10 30 EEEEHO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H](N)CCCCC#N)C1 ZINC000595944694 469094677 /nfs/dbraw/zinc/09/46/77/469094677.db2.gz IVWLWQQQJNXXNM-RBUKOAKNSA-N 1 3 342.487 2.173 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000573561691 469162281 /nfs/dbraw/zinc/16/22/81/469162281.db2.gz GIPGSCDHKMKSFY-IBGZPJMESA-N 1 3 342.487 2.295 10 30 EEEEHO N#CC1(C[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000599335350 469215363 /nfs/dbraw/zinc/21/53/63/469215363.db2.gz SVHYGLGEZKKCOX-WDSOQIARSA-N 1 3 347.503 2.006 10 30 EEEEHO N#CC1(C[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000599335350 469215367 /nfs/dbraw/zinc/21/53/67/469215367.db2.gz SVHYGLGEZKKCOX-WDSOQIARSA-N 1 3 347.503 2.006 10 30 EEEEHO C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001267491546 1179165044 /nfs/dbraw/zinc/16/50/44/1179165044.db2.gz JLDJCDBJJINCIO-KXBFYZLASA-N 1 3 337.483 2.049 10 30 EEEEHO CC[N@H+](C)CCC(=O)NC[C@@H](NCC#Cc1ccc(F)cc1)C(C)C ZINC001268219405 1182031148 /nfs/dbraw/zinc/03/11/48/1182031148.db2.gz ACVBMRHMNDXOJC-LJQANCHMSA-N 1 3 347.478 2.249 10 30 EEEEHO CC[N@@H+](C)CCC(=O)NC[C@@H](NCC#Cc1ccc(F)cc1)C(C)C ZINC001268219405 1182031154 /nfs/dbraw/zinc/03/11/54/1182031154.db2.gz ACVBMRHMNDXOJC-LJQANCHMSA-N 1 3 347.478 2.249 10 30 EEEEHO CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)NCC#Cc1ccccc1 ZINC001481811504 1182739972 /nfs/dbraw/zinc/73/99/72/1182739972.db2.gz TUMNFFURNIRUBI-UXHICEINSA-N 1 3 341.499 2.395 10 30 EEEEHO CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)NCC#Cc1ccccc1 ZINC001481811504 1182739977 /nfs/dbraw/zinc/73/99/77/1182739977.db2.gz TUMNFFURNIRUBI-UXHICEINSA-N 1 3 341.499 2.395 10 30 EEEEHO C=CCCC[NH2+]C/C=C/CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001268591284 1183392322 /nfs/dbraw/zinc/39/23/22/1183392322.db2.gz PZCLETZPVHLTLP-BLGFXRMMSA-N 1 3 325.472 2.427 10 30 EEEEHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001482552276 1186669236 /nfs/dbraw/zinc/66/92/36/1186669236.db2.gz CMHGZSREODYAOK-UYAOXDASSA-N 1 3 341.499 2.110 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C=C\Cl)C2)CC1 ZINC001266079597 1323636266 /nfs/dbraw/zinc/63/62/66/1323636266.db2.gz RZCZPHMFZWTZKI-JNZXNGNHSA-N 1 3 337.895 2.101 10 30 EEEEHO CC#CC[NH2+]C[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001279195628 1323848546 /nfs/dbraw/zinc/84/85/46/1323848546.db2.gz ZDHRMHCHBMFAQQ-APWZRJJASA-N 1 3 327.472 2.069 10 30 EEEEHO C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001316659734 1329875369 /nfs/dbraw/zinc/87/53/69/1329875369.db2.gz CMUONVFWBQHLJA-FRQCXROJSA-N 1 3 337.483 2.097 10 30 EEEEHO C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001492164676 1331029828 /nfs/dbraw/zinc/02/98/28/1331029828.db2.gz DBOQXCWFGHSPFQ-LPHOPBHVSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001492164676 1331029831 /nfs/dbraw/zinc/02/98/31/1331029831.db2.gz DBOQXCWFGHSPFQ-LPHOPBHVSA-N 1 3 337.483 2.193 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001320733743 1332942502 /nfs/dbraw/zinc/94/25/02/1332942502.db2.gz AQZCSCCCJKSLLM-QGZVFWFLSA-N 1 3 348.516 2.431 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001320733743 1332942506 /nfs/dbraw/zinc/94/25/06/1332942506.db2.gz AQZCSCCCJKSLLM-QGZVFWFLSA-N 1 3 348.516 2.431 10 30 EEEEHO C=CCCC[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001323542231 1333485625 /nfs/dbraw/zinc/48/56/25/1333485625.db2.gz NHHJERVHNCKWBV-SFHVURJKSA-N 1 3 325.472 2.404 10 30 EEEEHO C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001325054770 1333819930 /nfs/dbraw/zinc/81/99/30/1333819930.db2.gz PPRQXSRTXUILHC-JKSUJKDBSA-N 1 3 343.462 2.368 10 30 EEEEHO C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001325054770 1333819932 /nfs/dbraw/zinc/81/99/32/1333819932.db2.gz PPRQXSRTXUILHC-JKSUJKDBSA-N 1 3 343.462 2.368 10 30 EEEEHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C(F)(F)F ZINC001333021431 1335949113 /nfs/dbraw/zinc/94/91/13/1335949113.db2.gz OWCFVDLFKBRMKI-HUUCEWRRSA-N 1 3 347.425 2.416 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001676976303 1357253859 /nfs/dbraw/zinc/25/38/59/1357253859.db2.gz VNBQSSFJQADFPW-PKOBYXMFSA-N 1 3 331.504 2.006 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CC2CC(C)(C)C2)C(C)C)CC1 ZINC001667519372 1355753706 /nfs/dbraw/zinc/75/37/06/1355753706.db2.gz DVLVLFCZYSPSTH-LJQANCHMSA-N 1 3 347.547 2.498 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001669482103 1356164854 /nfs/dbraw/zinc/16/48/54/1356164854.db2.gz FFLSGRNXABCPPZ-MSOLQXFVSA-N 1 3 341.499 2.496 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001672915949 1356614175 /nfs/dbraw/zinc/61/41/75/1356614175.db2.gz LFHGXACZXMIJDZ-HNNXBMFYSA-N 1 3 348.516 2.288 10 30 EEEEHO CC[N@H+](CCCNC(=O)CN1CC[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC001566565361 1125740574 /nfs/dbraw/zinc/74/05/74/1125740574.db2.gz SMESQSIRMFZGSC-QGZVFWFLSA-N 1 3 342.487 2.228 10 30 EEEEHO CC[N@@H+](CCCNC(=O)CN1CC[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC001566565361 1125740580 /nfs/dbraw/zinc/74/05/80/1125740580.db2.gz SMESQSIRMFZGSC-QGZVFWFLSA-N 1 3 342.487 2.228 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001441903438 1096066791 /nfs/dbraw/zinc/06/67/91/1096066791.db2.gz UESJFFAIJYXGHP-MOPGFXCFSA-N 1 3 342.487 2.273 10 30 EEEEHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001444326538 1098889217 /nfs/dbraw/zinc/88/92/17/1098889217.db2.gz PNTUHFQKVMNALX-CQSZACIVSA-N 1 3 346.450 2.024 10 30 EEEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001499066435 1108530260 /nfs/dbraw/zinc/53/02/60/1108530260.db2.gz IDAULUDBRGRFIS-YJBOKZPZSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001499066435 1108530274 /nfs/dbraw/zinc/53/02/74/1108530274.db2.gz IDAULUDBRGRFIS-YJBOKZPZSA-N 1 3 325.472 2.356 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001493807132 1108687321 /nfs/dbraw/zinc/68/73/21/1108687321.db2.gz VZLUGIHDFGPUHY-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO CCCN(C)CC(=O)N[C@H](C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001568700107 1124714643 /nfs/dbraw/zinc/71/46/43/1124714643.db2.gz KNNILYGCSZPVFR-MRXNPFEDSA-N 1 3 333.451 2.003 10 30 EEEEHO CC(C)C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)C(=O)NCC[NH+](C)C ZINC000353659267 466044968 /nfs/dbraw/zinc/04/49/68/466044968.db2.gz QEBPSJFTTPVCQA-MOPGFXCFSA-N 1 3 342.487 2.228 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000597941889 468719077 /nfs/dbraw/zinc/71/90/77/468719077.db2.gz GFAQCKGDFUIKDB-INIZCTEOSA-N 1 3 342.487 2.244 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000597941889 468719079 /nfs/dbraw/zinc/71/90/79/468719079.db2.gz GFAQCKGDFUIKDB-INIZCTEOSA-N 1 3 342.487 2.244 10 30 EEEEHO Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@@H+](C)CCCN(C)C ZINC000596425220 469262842 /nfs/dbraw/zinc/26/28/42/469262842.db2.gz QTHJRKXUWWFHLO-UHFFFAOYSA-N 1 3 343.450 2.271 10 30 EEEEHO Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@H+](C)CCCN(C)C ZINC000596425220 469262843 /nfs/dbraw/zinc/26/28/43/469262843.db2.gz QTHJRKXUWWFHLO-UHFFFAOYSA-N 1 3 343.450 2.271 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CCC2CCCC2)CC1 ZINC001268015870 1180978727 /nfs/dbraw/zinc/97/87/27/1180978727.db2.gz VCIFGJZCWXFWFQ-KRWDZBQOSA-N 1 3 333.520 2.254 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCCCC=C)C2)CC1 ZINC001481709974 1182285619 /nfs/dbraw/zinc/28/56/19/1182285619.db2.gz JTKSVNWTBJQWOC-LJQANCHMSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCCC=C)C2)CC1 ZINC001481709974 1182285624 /nfs/dbraw/zinc/28/56/24/1182285624.db2.gz JTKSVNWTBJQWOC-LJQANCHMSA-N 1 3 331.504 2.269 10 30 EEEEHO C=CCN1CCC(N(Cc2ccccn2)C(=O)CCC[NH+](C)C)CC1 ZINC001271826996 1186529480 /nfs/dbraw/zinc/52/94/80/1186529480.db2.gz PBUVXEZEIFWRDG-UHFFFAOYSA-N 1 3 344.503 2.402 10 30 EEEEHO CC#CCNC[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001485836513 1193596472 /nfs/dbraw/zinc/59/64/72/1193596472.db2.gz CIKHJBBFRKPKGN-RBUKOAKNSA-N 1 3 333.520 2.347 10 30 EEEEHO C=CCC[NH2+]C[C@H](NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001483587541 1190573415 /nfs/dbraw/zinc/57/34/15/1190573415.db2.gz HPEBZBCOUXEBKS-YJBOKZPZSA-N 1 3 325.472 2.259 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485229897 1191698836 /nfs/dbraw/zinc/69/88/36/1191698836.db2.gz NMEMDEUPDAOCEN-ZIAGYGMSSA-N 1 3 334.439 2.020 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC=C)[C@@H]2C)CC1 ZINC001486185848 1193726930 /nfs/dbraw/zinc/72/69/30/1193726930.db2.gz DQWJSLCDRCJJJO-MJGOQNOKSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC=C)[C@@H]2C)CC1 ZINC001486185848 1193726937 /nfs/dbraw/zinc/72/69/37/1193726937.db2.gz DQWJSLCDRCJJJO-MJGOQNOKSA-N 1 3 331.504 2.267 10 30 EEEEHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1)C1CCC1 ZINC001410245158 1197629770 /nfs/dbraw/zinc/62/97/70/1197629770.db2.gz VSEDSUNSSOSJMO-IYARVYRRSA-N 1 3 340.471 2.027 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000876720079 1199737834 /nfs/dbraw/zinc/73/78/34/1199737834.db2.gz ZYGJATYWPBBAFL-QGZVFWFLSA-N 1 3 335.879 2.280 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000876967730 1199832807 /nfs/dbraw/zinc/83/28/07/1199832807.db2.gz MCPFGLJSDLQSOX-DLBZAZTESA-N 1 3 335.879 2.232 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000876967730 1199832813 /nfs/dbraw/zinc/83/28/13/1199832813.db2.gz MCPFGLJSDLQSOX-DLBZAZTESA-N 1 3 335.879 2.232 10 30 EEEEHO C#CCOc1ccccc1CN(CCOC)CC1CC[NH+](C)CC1 ZINC000877665312 1200016314 /nfs/dbraw/zinc/01/63/14/1200016314.db2.gz QLFVNIKEHNNKRT-UHFFFAOYSA-N 1 3 330.472 2.489 10 30 EEEEHO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001691743050 1215080252 /nfs/dbraw/zinc/08/02/52/1215080252.db2.gz UMDFXSVITGMZOX-DAYGRLMNSA-N 1 3 325.472 2.259 10 30 EEEEHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001488851357 1290246593 /nfs/dbraw/zinc/24/65/93/1290246593.db2.gz OUJLYJMPSKBSFL-SAABIXHNSA-N 1 3 347.890 2.128 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCCC=C)CC1 ZINC001277449066 1303097421 /nfs/dbraw/zinc/09/74/21/1303097421.db2.gz FTTDWHJJTFTXSD-BGYRXZFFSA-N 1 3 343.515 2.363 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCCC=C)CC1 ZINC001277449066 1303097425 /nfs/dbraw/zinc/09/74/25/1303097425.db2.gz FTTDWHJJTFTXSD-BGYRXZFFSA-N 1 3 343.515 2.363 10 30 EEEEHO CC#CCN1CCC(C)(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001278064390 1305828556 /nfs/dbraw/zinc/82/85/56/1305828556.db2.gz MVWASIJZPSTYKT-UHFFFAOYSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CCC=C)c2ccccc2)CC1 ZINC001317729976 1332391640 /nfs/dbraw/zinc/39/16/40/1332391640.db2.gz ZDDAQZIWBCRYKB-HXUWFJFHSA-N 1 3 339.483 2.355 10 30 EEEEHO C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001325055829 1333820533 /nfs/dbraw/zinc/82/05/33/1333820533.db2.gz WJTUJZCOJCPIDN-HNNXBMFYSA-N 1 3 331.451 2.366 10 30 EEEEHO C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001325055829 1333820535 /nfs/dbraw/zinc/82/05/35/1333820535.db2.gz WJTUJZCOJCPIDN-HNNXBMFYSA-N 1 3 331.451 2.366 10 30 EEEEHO C#CCN(CC1CCOCC1)C1CC[NH+](CC2CCOCC2)CC1 ZINC001349699866 1337640043 /nfs/dbraw/zinc/64/00/43/1337640043.db2.gz IRXCCYQTDSQCIN-UHFFFAOYSA-N 1 3 334.504 2.239 10 30 EEEEHO C#CC[N@H+](CC1CCOCC1)C1CCN(CC2CCOCC2)CC1 ZINC001349699866 1337640048 /nfs/dbraw/zinc/64/00/48/1337640048.db2.gz IRXCCYQTDSQCIN-UHFFFAOYSA-N 1 3 334.504 2.239 10 30 EEEEHO C#CC[N@@H+](CC1CCOCC1)C1CCN(CC2CCOCC2)CC1 ZINC001349699866 1337640052 /nfs/dbraw/zinc/64/00/52/1337640052.db2.gz IRXCCYQTDSQCIN-UHFFFAOYSA-N 1 3 334.504 2.239 10 30 EEEEHO CC#CCN1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661752506 1354689825 /nfs/dbraw/zinc/68/98/25/1354689825.db2.gz KREUQOJJVRXSPJ-RBUKOAKNSA-N 1 3 333.520 2.348 10 30 EEEEHO CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001666111258 1355454582 /nfs/dbraw/zinc/45/45/82/1355454582.db2.gz PWIMNFLDTXFOCA-SFHVURJKSA-N 1 3 333.520 2.493 10 30 EEEEHO C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001673376757 1356679379 /nfs/dbraw/zinc/67/93/79/1356679379.db2.gz UWMOZSABUCNKFQ-MSOLQXFVSA-N 1 3 337.508 2.033 10 30 EEEEHO C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001673376757 1356679382 /nfs/dbraw/zinc/67/93/82/1356679382.db2.gz UWMOZSABUCNKFQ-MSOLQXFVSA-N 1 3 337.508 2.033 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001698845829 1405104587 /nfs/dbraw/zinc/10/45/87/1405104587.db2.gz PJUDAGFUBBWQLE-GOSISDBHSA-N 1 3 343.515 2.453 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001698845829 1405104596 /nfs/dbraw/zinc/10/45/96/1405104596.db2.gz PJUDAGFUBBWQLE-GOSISDBHSA-N 1 3 343.515 2.453 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)CC2(C)C)CC1 ZINC000941237932 780226649 /nfs/dbraw/zinc/22/66/49/780226649.db2.gz SVXLTHXBHKSUIA-SFHVURJKSA-N 1 3 331.504 2.124 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC(=C)C)CC2(C)C)CC1 ZINC000941237932 780226656 /nfs/dbraw/zinc/22/66/56/780226656.db2.gz SVXLTHXBHKSUIA-SFHVURJKSA-N 1 3 331.504 2.124 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2ccccc2F)CC1 ZINC001495815190 1101633333 /nfs/dbraw/zinc/63/33/33/1101633333.db2.gz ZIDHKLFKTREPKY-INIZCTEOSA-N 1 3 345.462 2.013 10 30 EEEEHO C=CCN[C@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1CC ZINC001501021465 1113170667 /nfs/dbraw/zinc/17/06/67/1113170667.db2.gz GWBIBIPRCAEYJE-GOSISDBHSA-N 1 3 327.472 2.278 10 30 EEEEHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNCc2ccccc2C#N)C1 ZINC001501145871 1113214187 /nfs/dbraw/zinc/21/41/87/1113214187.db2.gz GWDRSZZSZDFJRQ-APWZRJJASA-N 1 3 342.487 2.084 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](CNCc2ccccc2C#N)C1 ZINC001501145871 1113214189 /nfs/dbraw/zinc/21/41/89/1113214189.db2.gz GWDRSZZSZDFJRQ-APWZRJJASA-N 1 3 342.487 2.084 10 30 EEEEHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC001507037787 1115074060 /nfs/dbraw/zinc/07/40/60/1115074060.db2.gz YLBYSZLCVZPSQQ-IBGZPJMESA-N 1 3 342.487 2.225 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000597942273 468719561 /nfs/dbraw/zinc/71/95/61/468719561.db2.gz JTIJRMNBNODEAW-ZDUSSCGKSA-N 1 3 336.867 2.213 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000597942273 468719564 /nfs/dbraw/zinc/71/95/64/468719564.db2.gz JTIJRMNBNODEAW-ZDUSSCGKSA-N 1 3 336.867 2.213 10 30 EEEEHO Cc1ccc(C[N@@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1C#N ZINC000599338346 469216900 /nfs/dbraw/zinc/21/69/00/469216900.db2.gz AMGUJNQDULFQOO-FXAWDEMLSA-N 1 3 326.488 2.325 10 30 EEEEHO Cc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1C#N ZINC000599338346 469216905 /nfs/dbraw/zinc/21/69/05/469216905.db2.gz AMGUJNQDULFQOO-FXAWDEMLSA-N 1 3 326.488 2.325 10 30 EEEEHO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261999739 677809311 /nfs/dbraw/zinc/80/93/11/677809311.db2.gz UBUPIMMIXZUKSI-FIDHJVLJSA-N 1 3 336.524 2.084 10 30 EEEEHO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000262022506 682877889 /nfs/dbraw/zinc/87/78/89/682877889.db2.gz ZBIZJHYAFOWEPY-AVEIZBFRSA-N 1 3 348.535 2.228 10 30 EEEEHO CN(CC#Cc1ccccc1)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266466491 1176588974 /nfs/dbraw/zinc/58/89/74/1176588974.db2.gz PPJAWZVTEXENBS-FQEVSTJZSA-N 1 3 341.499 2.160 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001482035193 1183188569 /nfs/dbraw/zinc/18/85/69/1183188569.db2.gz RXRQCFVLMURONU-MOPGFXCFSA-N 1 3 327.472 2.146 10 30 EEEEHO CN(CC(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1)CC(C)(C)C ZINC001268847494 1183764292 /nfs/dbraw/zinc/76/42/92/1183764292.db2.gz KCLXTRSWKNMJQW-UHFFFAOYSA-N 1 3 344.503 2.474 10 30 EEEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1C(F)(F)F ZINC001284376641 1183886994 /nfs/dbraw/zinc/88/69/94/1183886994.db2.gz WSQPEVXTDLMRCK-KBPBESRZSA-N 1 3 335.414 2.129 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)[C@H](C)CNCC#Cc1ccc(F)cc1)[NH+](C)C ZINC001271183318 1186067071 /nfs/dbraw/zinc/06/70/71/1186067071.db2.gz YKGJEPCJFZPPPX-VQIMIIECSA-N 1 3 347.478 2.200 10 30 EEEEHO CC(C)[C@@H](CNC(=O)CC[NH+](C)C)NCC#Cc1ccccc1Cl ZINC001271894413 1186588625 /nfs/dbraw/zinc/58/86/25/1186588625.db2.gz VQFHVXIFHHTZPA-GOSISDBHSA-N 1 3 349.906 2.374 10 30 EEEEHO C[NH+](C)CCC(=O)NCC1(C)CCN(Cc2cccc(C#N)c2)CC1 ZINC001484141679 1191236871 /nfs/dbraw/zinc/23/68/71/1191236871.db2.gz GZRBZTLRZNZHAF-UHFFFAOYSA-N 1 3 342.487 2.228 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC3=CCCCC3)CCC2)CC1 ZINC001273203364 1197511888 /nfs/dbraw/zinc/51/18/88/1197511888.db2.gz XPTYIXVBFNHWSX-UHFFFAOYSA-N 1 3 343.515 2.461 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000876767323 1199765273 /nfs/dbraw/zinc/76/52/73/1199765273.db2.gz GPQHHFQUHQDIGP-RRQGHBQHSA-N 1 3 335.879 2.483 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000876767323 1199765274 /nfs/dbraw/zinc/76/52/74/1199765274.db2.gz GPQHHFQUHQDIGP-RRQGHBQHSA-N 1 3 335.879 2.483 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000862167034 1295732883 /nfs/dbraw/zinc/73/28/83/1295732883.db2.gz PHBHAJIKLAHICG-INIZCTEOSA-N 1 3 344.503 2.224 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000862167034 1295732886 /nfs/dbraw/zinc/73/28/86/1295732886.db2.gz PHBHAJIKLAHICG-INIZCTEOSA-N 1 3 344.503 2.224 10 30 EEEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CC2CCCC2)CC1 ZINC001278194649 1306246825 /nfs/dbraw/zinc/24/68/25/1306246825.db2.gz RPVGGQUEKFQIHF-LJQANCHMSA-N 1 3 333.520 2.443 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001120028256 1309288256 /nfs/dbraw/zinc/28/82/56/1309288256.db2.gz ZKTFOYCUSJAJHD-JENIJYKNSA-N 1 3 348.535 2.399 10 30 EEEEHO CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001264408662 1322693224 /nfs/dbraw/zinc/69/32/24/1322693224.db2.gz PVSGHHNVZZOWQK-HSALFYBXSA-N 1 3 341.499 2.109 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)CC(=C)C)CC1 ZINC001264745628 1322800716 /nfs/dbraw/zinc/80/07/16/1322800716.db2.gz NKUCCTCXGPPGED-IBGZPJMESA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CC(=C)C)CC1 ZINC001264745628 1322800721 /nfs/dbraw/zinc/80/07/21/1322800721.db2.gz NKUCCTCXGPPGED-IBGZPJMESA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001281086484 1322816409 /nfs/dbraw/zinc/81/64/09/1322816409.db2.gz DIBGYJZWJSVIHM-FQEVSTJZSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001281086484 1322816414 /nfs/dbraw/zinc/81/64/14/1322816414.db2.gz DIBGYJZWJSVIHM-FQEVSTJZSA-N 1 3 333.520 2.302 10 30 EEEEHO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265930628 1323495055 /nfs/dbraw/zinc/49/50/55/1323495055.db2.gz FWKCHLDCPFTOOH-MAUKXSAKSA-N 1 3 325.472 2.356 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2csc(C)c2)CC1 ZINC001282244196 1325667335 /nfs/dbraw/zinc/66/73/35/1325667335.db2.gz ZEGZXTQEHYGTAC-JKSUJKDBSA-N 1 3 347.528 2.385 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCC)C2CCCCC2)CC1 ZINC001319669320 1332737997 /nfs/dbraw/zinc/73/79/97/1332737997.db2.gz PSCZQIGDYSQZSJ-LJQANCHMSA-N 1 3 333.520 2.396 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001321877627 1333172512 /nfs/dbraw/zinc/17/25/12/1333172512.db2.gz AFXBWKFLTDRHNX-QFBILLFUSA-N 1 3 345.462 2.146 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001321877627 1333172513 /nfs/dbraw/zinc/17/25/13/1333172513.db2.gz AFXBWKFLTDRHNX-QFBILLFUSA-N 1 3 345.462 2.146 10 30 EEEEHO C=CCN1CCC(NC(=O)NCCCCCC2CC[NH2+]CC2)CC1 ZINC001335461061 1336379002 /nfs/dbraw/zinc/37/90/02/1336379002.db2.gz TTZSXHGKYKDWQW-UHFFFAOYSA-N 1 3 336.524 2.496 10 30 EEEEHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C[C@H]1C ZINC001671252649 1354026796 /nfs/dbraw/zinc/02/67/96/1354026796.db2.gz ZYQFOWPVEGXDPC-UYAOXDASSA-N 1 3 341.499 2.349 10 30 EEEEHO CC#CCN1CCC[C@@H]2[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001656650612 1354257614 /nfs/dbraw/zinc/25/76/14/1354257614.db2.gz IEHYXSJLCHNEKT-HOJAQTOUSA-N 1 3 345.531 2.491 10 30 EEEEHO C=CCOCC[N@H+]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001673396012 1356685060 /nfs/dbraw/zinc/68/50/60/1356685060.db2.gz ATWAWAKPDMIBDP-QGZVFWFLSA-N 1 3 339.524 2.138 10 30 EEEEHO C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001673396012 1356685062 /nfs/dbraw/zinc/68/50/62/1356685062.db2.gz ATWAWAKPDMIBDP-QGZVFWFLSA-N 1 3 339.524 2.138 10 30 EEEEHO C#CCCN1CC[C@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001691931758 1404964286 /nfs/dbraw/zinc/96/42/86/1404964286.db2.gz HFXRXMCPWWTZRD-WOJBJXKFSA-N 1 3 341.499 2.326 10 30 EEEEHO C[C@@H](CNCC#Cc1cccc(Cl)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001699419498 1405352637 /nfs/dbraw/zinc/35/26/37/1405352637.db2.gz ZYXUDUWNSIINAR-HNNXBMFYSA-N 1 3 347.890 2.128 10 30 EEEEHO C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940748142 779207366 /nfs/dbraw/zinc/20/73/66/779207366.db2.gz VFIBGBRMCSWRLL-KRWDZBQOSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCCC2)C(C)(C)C1 ZINC000940748142 779207372 /nfs/dbraw/zinc/20/73/72/779207372.db2.gz VFIBGBRMCSWRLL-KRWDZBQOSA-N 1 3 333.520 2.491 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000907876490 784929428 /nfs/dbraw/zinc/92/94/28/784929428.db2.gz XSXSYSLYESXWNQ-UHFFFAOYSA-N 1 3 347.425 2.416 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)[C@H]1CC ZINC001566012487 1125500319 /nfs/dbraw/zinc/50/03/19/1125500319.db2.gz WMDXEPPARNBNDM-RCCFBDPRSA-N 1 3 337.508 2.031 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)[C@H]1CC ZINC001566012487 1125500324 /nfs/dbraw/zinc/50/03/24/1125500324.db2.gz WMDXEPPARNBNDM-RCCFBDPRSA-N 1 3 337.508 2.031 10 30 EEEEHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccc(C#N)s1 ZINC001438310186 1090788181 /nfs/dbraw/zinc/78/81/81/1090788181.db2.gz JELNBVGICPDOEA-GJZGRUSLSA-N 1 3 348.516 2.479 10 30 EEEEHO CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccc(C#N)s1 ZINC001438310186 1090788185 /nfs/dbraw/zinc/78/81/85/1090788185.db2.gz JELNBVGICPDOEA-GJZGRUSLSA-N 1 3 348.516 2.479 10 30 EEEEHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001495004152 1104646187 /nfs/dbraw/zinc/64/61/87/1104646187.db2.gz UDHACCGOAPONBA-INIZCTEOSA-N 1 3 346.450 2.166 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]C[C@H](F)CC)CC1 ZINC001501898550 1113515391 /nfs/dbraw/zinc/51/53/91/1113515391.db2.gz QPZZVEMNCHFLCX-QZTJIDSGSA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC001507445371 1115273483 /nfs/dbraw/zinc/27/34/83/1115273483.db2.gz BEFQGXOYFKSSTO-BEFAXECRSA-N 1 3 337.483 2.049 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC2CC2)C2CCCCC2)CC1 ZINC001568348211 1124430884 /nfs/dbraw/zinc/43/08/84/1124430884.db2.gz BFERFSOHWJZDBE-FQEVSTJZSA-N 1 3 345.531 2.396 10 30 EEEEHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)C(C)C ZINC000417057681 466766196 /nfs/dbraw/zinc/76/61/96/466766196.db2.gz CEEDHWNALAWVTF-OTWHNJEPSA-N 1 3 348.535 2.326 10 30 EEEEHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](N)CCCCC#N)C2)CC1 ZINC000594436304 468585775 /nfs/dbraw/zinc/58/57/75/468585775.db2.gz CXDZOKKWAMFEPI-ROUUACIJSA-N 1 3 334.508 2.368 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729202 468638144 /nfs/dbraw/zinc/63/81/44/468638144.db2.gz SMWCIYACNIWTKK-MSOLQXFVSA-N 1 3 337.508 2.015 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729202 468638150 /nfs/dbraw/zinc/63/81/50/468638150.db2.gz SMWCIYACNIWTKK-MSOLQXFVSA-N 1 3 337.508 2.015 10 30 EEEEHO CC(C)CN1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729202 468638158 /nfs/dbraw/zinc/63/81/58/468638158.db2.gz SMWCIYACNIWTKK-MSOLQXFVSA-N 1 3 337.508 2.015 10 30 EEEEHO Cc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1C#N ZINC000599338347 469216813 /nfs/dbraw/zinc/21/68/13/469216813.db2.gz AMGUJNQDULFQOO-PXNSSMCTSA-N 1 3 326.488 2.325 10 30 EEEEHO Cc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1C#N ZINC000599338347 469216814 /nfs/dbraw/zinc/21/68/14/469216814.db2.gz AMGUJNQDULFQOO-PXNSSMCTSA-N 1 3 326.488 2.325 10 30 EEEEHO C=CC[C@@]1(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662744991 472231501 /nfs/dbraw/zinc/23/15/01/472231501.db2.gz CJECCBZAZSCHTD-ICSRJNTNSA-N 1 3 327.472 2.418 10 30 EEEEHO C#CCN(C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)C1CCN(C)CC1 ZINC000914314351 683480756 /nfs/dbraw/zinc/48/07/56/683480756.db2.gz RZFKDXHTHCANNP-XLIONFOSSA-N 1 3 348.535 2.236 10 30 EEEEHO C#CCN1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001485582884 1191848942 /nfs/dbraw/zinc/84/89/42/1191848942.db2.gz VMQJWOYCAXBXOD-ZWKOTPCHSA-N 1 3 327.472 2.139 10 30 EEEEHO C#CCN1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001485582884 1191848945 /nfs/dbraw/zinc/84/89/45/1191848945.db2.gz VMQJWOYCAXBXOD-ZWKOTPCHSA-N 1 3 327.472 2.139 10 30 EEEEHO C#CCN1CCC[C@@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266891843 1177729187 /nfs/dbraw/zinc/72/91/87/1177729187.db2.gz RQCULUFKPZULOY-QZTJIDSGSA-N 1 3 333.520 2.348 10 30 EEEEHO C[C@@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]CC#Cc1ccccc1Cl ZINC001267123963 1178291172 /nfs/dbraw/zinc/29/11/72/1178291172.db2.gz ZGXDIXLMDDJNEA-YJBOKZPZSA-N 1 3 347.890 2.270 10 30 EEEEHO C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001267491543 1179165104 /nfs/dbraw/zinc/16/51/04/1179165104.db2.gz JLDJCDBJJINCIO-BEFAXECRSA-N 1 3 337.483 2.049 10 30 EEEEHO C#CCC[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001481941601 1182999915 /nfs/dbraw/zinc/99/99/15/1182999915.db2.gz VBFPICLTNOXGJG-RTBURBONSA-N 1 3 337.483 2.097 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccc(C#N)s1 ZINC001268542093 1183213205 /nfs/dbraw/zinc/21/32/05/1183213205.db2.gz OSWJHPCHILGYID-LIMHQNJXSA-N 1 3 346.500 2.255 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccc(C#N)s1 ZINC001268542093 1183213207 /nfs/dbraw/zinc/21/32/07/1183213207.db2.gz OSWJHPCHILGYID-LIMHQNJXSA-N 1 3 346.500 2.255 10 30 EEEEHO CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H](C(C)C)N(C)C ZINC001273434934 1198916695 /nfs/dbraw/zinc/91/66/95/1198916695.db2.gz WWRWHUFATWBIAJ-SFHVURJKSA-N 1 3 330.476 2.083 10 30 EEEEHO C(#CC[N@@H+]1CC[C@H]2CSC[C@@H]2C1)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565849 1201145178 /nfs/dbraw/zinc/14/51/78/1201145178.db2.gz QWIDZIWXPZWQPP-MHORFTMASA-N 1 3 336.570 2.360 10 30 EEEEHO C(#CC[N@H+]1CC[C@H]2CSC[C@@H]2C1)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565849 1201145180 /nfs/dbraw/zinc/14/51/80/1201145180.db2.gz QWIDZIWXPZWQPP-MHORFTMASA-N 1 3 336.570 2.360 10 30 EEEEHO C(#CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879565849 1201145181 /nfs/dbraw/zinc/14/51/81/1201145181.db2.gz QWIDZIWXPZWQPP-MHORFTMASA-N 1 3 336.570 2.360 10 30 EEEEHO C(#CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1)CN1CC[C@H]2CSC[C@@H]2C1 ZINC000879565849 1201145185 /nfs/dbraw/zinc/14/51/85/1201145185.db2.gz QWIDZIWXPZWQPP-MHORFTMASA-N 1 3 336.570 2.360 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000900191475 1234078562 /nfs/dbraw/zinc/07/85/62/1234078562.db2.gz AMGSPDVCCUSADH-UHFFFAOYSA-N 1 3 344.503 2.271 10 30 EEEEHO CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(CCO[C@@H](C)C#N)C2)ccn1 ZINC000856603704 1293579803 /nfs/dbraw/zinc/57/98/03/1293579803.db2.gz DGEWJQRTARTGPV-LPHOPBHVSA-N 1 3 346.475 2.304 10 30 EEEEHO CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(CCO[C@@H](C)C#N)C2)ccn1 ZINC000856603704 1293579810 /nfs/dbraw/zinc/57/98/10/1293579810.db2.gz DGEWJQRTARTGPV-LPHOPBHVSA-N 1 3 346.475 2.304 10 30 EEEEHO C#CCN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC[NH+](CC)CC1 ZINC001278185136 1306211606 /nfs/dbraw/zinc/21/16/06/1306211606.db2.gz YRAFSXXPKOTQOE-IBGZPJMESA-N 1 3 337.483 2.145 10 30 EEEEHO C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001264126382 1322635596 /nfs/dbraw/zinc/63/55/96/1322635596.db2.gz UKCJGQHSABJLEV-MSOLQXFVSA-N 1 3 339.524 2.136 10 30 EEEEHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C(F)(F)F ZINC001264594115 1322744853 /nfs/dbraw/zinc/74/48/53/1322744853.db2.gz FFKYTFVYUTZCDU-KBPBESRZSA-N 1 3 335.414 2.131 10 30 EEEEHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266191888 1323755329 /nfs/dbraw/zinc/75/53/29/1323755329.db2.gz MBTNVMPRLQGWGA-MRXNPFEDSA-N 1 3 333.451 2.002 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCC(C)([NH2+]CC(=C)Cl)CC2)CC1 ZINC001281529933 1325231798 /nfs/dbraw/zinc/23/17/98/1325231798.db2.gz FDGMHKAHNIHCSC-UHFFFAOYSA-N 1 3 337.895 2.055 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)C2CCCCCC2)CC1 ZINC001323721379 1333524888 /nfs/dbraw/zinc/52/48/88/1333524888.db2.gz FTMGORQGBWFWIM-UHFFFAOYSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)C2CCCCCC2)CC1 ZINC001323721379 1333524894 /nfs/dbraw/zinc/52/48/94/1333524894.db2.gz FTMGORQGBWFWIM-UHFFFAOYSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC[C@@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001324974982 1333800096 /nfs/dbraw/zinc/80/00/96/1333800096.db2.gz DPOMTEPVMIFYFH-FQEVSTJZSA-N 1 3 327.472 2.213 10 30 EEEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001326470223 1334099924 /nfs/dbraw/zinc/09/99/24/1334099924.db2.gz ZAUUISKNUNEAED-QFBILLFUSA-N 1 3 327.472 2.459 10 30 EEEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001326470223 1334099926 /nfs/dbraw/zinc/09/99/26/1334099926.db2.gz ZAUUISKNUNEAED-QFBILLFUSA-N 1 3 327.472 2.459 10 30 EEEEHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC#Cc1ccc(Cl)cc1 ZINC001676480448 1357155196 /nfs/dbraw/zinc/15/51/96/1357155196.db2.gz BNPVHVIWPZCEQE-DOTOQJQBSA-N 1 3 347.890 2.080 10 30 EEEEHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC#Cc1ccc(Cl)cc1 ZINC001676480448 1357155199 /nfs/dbraw/zinc/15/51/99/1357155199.db2.gz BNPVHVIWPZCEQE-DOTOQJQBSA-N 1 3 347.890 2.080 10 30 EEEEHO CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001656650614 1354257369 /nfs/dbraw/zinc/25/73/69/1354257369.db2.gz IEHYXSJLCHNEKT-RLLQIKCJSA-N 1 3 345.531 2.491 10 30 EEEEHO C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCCN2CC)C1 ZINC001672916228 1356614263 /nfs/dbraw/zinc/61/42/63/1356614263.db2.gz OJFYSDBUQLFHDW-HZPDHXFCSA-N 1 3 327.900 2.442 10 30 EEEEHO C=CCOCC[N@H+]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001673396011 1356684973 /nfs/dbraw/zinc/68/49/73/1356684973.db2.gz ATWAWAKPDMIBDP-KRWDZBQOSA-N 1 3 339.524 2.138 10 30 EEEEHO C=CCOCC[N@@H+]1CCC[C@H](NC(=O)CN(C)CC(C)(C)C)CC1 ZINC001673396011 1356684977 /nfs/dbraw/zinc/68/49/77/1356684977.db2.gz ATWAWAKPDMIBDP-KRWDZBQOSA-N 1 3 339.524 2.138 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC001674142529 1356797693 /nfs/dbraw/zinc/79/76/93/1356797693.db2.gz UEJGWKXHIDZRQE-IAGOWNOFSA-N 1 3 337.508 2.033 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC001674142529 1356797694 /nfs/dbraw/zinc/79/76/94/1356797694.db2.gz UEJGWKXHIDZRQE-IAGOWNOFSA-N 1 3 337.508 2.033 10 30 EEEEHO C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCCN1CC)CC2 ZINC001675707642 1357041141 /nfs/dbraw/zinc/04/11/41/1357041141.db2.gz LSPIUQYZJHWNNM-ZWKOTPCHSA-N 1 3 349.519 2.034 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001699554175 1405392132 /nfs/dbraw/zinc/39/21/32/1405392132.db2.gz MLEGFFFDSXCCIB-HXUWFJFHSA-N 1 3 341.499 2.351 10 30 EEEEHO C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001438423208 1090918882 /nfs/dbraw/zinc/91/88/82/1090918882.db2.gz XVZSMMKLZJNZKP-ZQIUZPCESA-N 1 3 327.900 2.344 10 30 EEEEHO C=C(Cl)CNC[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001438423208 1090918883 /nfs/dbraw/zinc/91/88/83/1090918883.db2.gz XVZSMMKLZJNZKP-ZQIUZPCESA-N 1 3 327.900 2.344 10 30 EEEEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001440753234 1093998294 /nfs/dbraw/zinc/99/82/94/1093998294.db2.gz ZZJYLRWZXDMINM-LJQANCHMSA-N 1 3 342.487 2.321 10 30 EEEEHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001440753234 1093998297 /nfs/dbraw/zinc/99/82/97/1093998297.db2.gz ZZJYLRWZXDMINM-LJQANCHMSA-N 1 3 342.487 2.321 10 30 EEEEHO C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001479495625 1098563866 /nfs/dbraw/zinc/56/38/66/1098563866.db2.gz SDKZPDZRLQQFBO-UONOGXRCSA-N 1 3 346.313 2.110 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCCC)CC1 ZINC001496920828 1101721605 /nfs/dbraw/zinc/72/16/05/1101721605.db2.gz ZZYALBGGBATTFC-RBUKOAKNSA-N 1 3 333.520 2.396 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC2CCCCC2)C2CC2)CC1 ZINC001498874426 1108259133 /nfs/dbraw/zinc/25/91/33/1108259133.db2.gz KTVBEYLBLJGNFN-HXUWFJFHSA-N 1 3 345.531 2.396 10 30 EEEEHO C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001499480256 1112312588 /nfs/dbraw/zinc/31/25/88/1112312588.db2.gz FRSKCWFOKMMHCS-ROUUACIJSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001499480256 1112312592 /nfs/dbraw/zinc/31/25/92/1112312592.db2.gz FRSKCWFOKMMHCS-ROUUACIJSA-N 1 3 333.520 2.301 10 30 EEEEHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001505537790 1114039452 /nfs/dbraw/zinc/03/94/52/1114039452.db2.gz MBUQWOZQWSXKRK-UHFFFAOYSA-N 1 3 346.450 2.022 10 30 EEEEHO CC[NH+]=C(NCc1noc(C)n1)N[C@H]1CCCN(C2CCCCC2)C1 ZINC000088959811 462649501 /nfs/dbraw/zinc/64/95/01/462649501.db2.gz PCSKDFGSYZIIMN-HNNXBMFYSA-N 1 3 348.495 2.230 10 30 EEEEHO COc1cc(CN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1C#N ZINC000530248100 467968076 /nfs/dbraw/zinc/96/80/76/467968076.db2.gz FZEOVOURCSMHQH-GOSISDBHSA-N 1 3 329.444 2.157 10 30 EEEEHO COc1cc(CN2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1C#N ZINC000593323265 468938570 /nfs/dbraw/zinc/93/85/70/468938570.db2.gz SAAHAUORJUEMTD-SCTDSRPQSA-N 1 3 329.444 2.428 10 30 EEEEHO C=CC[C@@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662738686 472229441 /nfs/dbraw/zinc/22/94/41/472229441.db2.gz YPVGALISAWRUDG-ICSRJNTNSA-N 1 3 327.472 2.466 10 30 EEEEHO C#CC[NH2+]CCC[C@H](NC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001485780018 1191948735 /nfs/dbraw/zinc/94/87/35/1191948735.db2.gz PYKLSVJTIZKGDU-MJGOQNOKSA-N 1 3 327.472 2.189 10 30 EEEEHO C#CCN1CCC(C(=O)NCc2ccc(C[NH2+]CC(=C)C)cc2)CC1 ZINC001267941409 1180796937 /nfs/dbraw/zinc/79/69/37/1180796937.db2.gz XTGUBUWRUQBCPT-UHFFFAOYSA-N 1 3 339.483 2.314 10 30 EEEEHO CC(C)N(C)CC(=O)N(C)CCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001268956958 1183850566 /nfs/dbraw/zinc/85/05/66/1183850566.db2.gz BMPQZOKVWPATFH-UHFFFAOYSA-N 1 3 349.906 2.470 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001482439880 1185724954 /nfs/dbraw/zinc/72/49/54/1185724954.db2.gz WXMTXFIOWYSBRW-UYAOXDASSA-N 1 3 341.499 2.205 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001271534834 1186294823 /nfs/dbraw/zinc/29/48/23/1186294823.db2.gz OILVHVRRWWCOCQ-SJORKVTESA-N 1 3 339.911 2.442 10 30 EEEEHO C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001670985335 1193538514 /nfs/dbraw/zinc/53/85/14/1193538514.db2.gz PUWKJGVOCXMLCX-UHFFFAOYSA-N 1 3 331.504 2.197 10 30 EEEEHO C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001670985335 1193538516 /nfs/dbraw/zinc/53/85/16/1193538516.db2.gz PUWKJGVOCXMLCX-UHFFFAOYSA-N 1 3 331.504 2.197 10 30 EEEEHO C#CCN[C@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001484558382 1191414580 /nfs/dbraw/zinc/41/45/80/1191414580.db2.gz FIPFLDPNJCJGPU-APWZRJJASA-N 1 3 327.472 2.461 10 30 EEEEHO C#CCN[C@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001484558382 1191414581 /nfs/dbraw/zinc/41/45/81/1191414581.db2.gz FIPFLDPNJCJGPU-APWZRJJASA-N 1 3 327.472 2.461 10 30 EEEEHO C#CCC[NH2+]C1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001484923384 1191576588 /nfs/dbraw/zinc/57/65/88/1191576588.db2.gz NSFQMCMIOFUHBE-IBGZPJMESA-N 1 3 337.483 2.193 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000876861748 1199797756 /nfs/dbraw/zinc/79/77/56/1199797756.db2.gz GACRVOMIWNXWRF-IMJJTQAJSA-N 1 3 339.842 2.105 10 30 EEEEHO C#CC[C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000886355873 1202496022 /nfs/dbraw/zinc/49/60/22/1202496022.db2.gz OWHXNJYNVFKGAU-LJQANCHMSA-N 1 3 339.483 2.244 10 30 EEEEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001274106047 1204373096 /nfs/dbraw/zinc/37/30/96/1204373096.db2.gz UWWDWELLIVNJBV-FFPCURRISA-N 1 3 340.471 2.195 10 30 EEEEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001274106047 1204373099 /nfs/dbraw/zinc/37/30/99/1204373099.db2.gz UWWDWELLIVNJBV-FFPCURRISA-N 1 3 340.471 2.195 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N1C[C@H](NCC#Cc2ccccc2)[C@@H](C)C1 ZINC001274279373 1204984294 /nfs/dbraw/zinc/98/42/94/1204984294.db2.gz FRNBGGTVLAMLOV-ICSRJNTNSA-N 1 3 341.499 2.207 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N1C[C@H](NCC#Cc2ccccc2)[C@@H](C)C1 ZINC001274279373 1204984295 /nfs/dbraw/zinc/98/42/95/1204984295.db2.gz FRNBGGTVLAMLOV-ICSRJNTNSA-N 1 3 341.499 2.207 10 30 EEEEHO C[NH+]1CCC(CC(=O)NC/C=C\CNCc2ccc(C#N)s2)CC1 ZINC001274412907 1205025470 /nfs/dbraw/zinc/02/54/70/1205025470.db2.gz JGCUDHAGFGDDEL-IHWYPQMZSA-N 1 3 346.500 2.114 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001275571645 1205422693 /nfs/dbraw/zinc/42/26/93/1205422693.db2.gz QJKQBRFAQMGQNT-IAGOWNOFSA-N 1 3 331.504 2.315 10 30 EEEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCOCC1 ZINC001278726542 1317882910 /nfs/dbraw/zinc/88/29/10/1317882910.db2.gz WOIVTHRVALNLRX-KRWDZBQOSA-N 1 3 337.508 2.080 10 30 EEEEHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1ccc(F)c(C#N)c1 ZINC001265103926 1322921280 /nfs/dbraw/zinc/92/12/80/1322921280.db2.gz CBIKYAYPQZCIHY-GOSISDBHSA-N 1 3 346.450 2.120 10 30 EEEEHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1ccc(F)c(C#N)c1 ZINC001265103926 1322921282 /nfs/dbraw/zinc/92/12/82/1322921282.db2.gz CBIKYAYPQZCIHY-GOSISDBHSA-N 1 3 346.450 2.120 10 30 EEEEHO CC[C@H](C(=O)NCCC[N@H+](CC)CC#Cc1ccc(F)cc1)N(C)C ZINC001265143125 1322945536 /nfs/dbraw/zinc/94/55/36/1322945536.db2.gz XYVJZJYELBWDCA-LJQANCHMSA-N 1 3 347.478 2.346 10 30 EEEEHO CC[C@H](C(=O)NCCC[N@@H+](CC)CC#Cc1ccc(F)cc1)N(C)C ZINC001265143125 1322945538 /nfs/dbraw/zinc/94/55/38/1322945538.db2.gz XYVJZJYELBWDCA-LJQANCHMSA-N 1 3 347.478 2.346 10 30 EEEEHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001281748242 1325435147 /nfs/dbraw/zinc/43/51/47/1325435147.db2.gz VAORLCIMWMCBHI-IRXDYDNUSA-N 1 3 345.462 2.003 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2csc(C)c2)CC1 ZINC001282244195 1325667270 /nfs/dbraw/zinc/66/72/70/1325667270.db2.gz ZEGZXTQEHYGTAC-HZPDHXFCSA-N 1 3 347.528 2.385 10 30 EEEEHO C#CCN1C[C@]2(C)CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001282993137 1325871210 /nfs/dbraw/zinc/87/12/10/1325871210.db2.gz USNXHXUIZJYKQN-OYRHEFFESA-N 1 3 345.531 2.445 10 30 EEEEHO C#CCN1C[C@]2(C)CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@]2(C)C1 ZINC001282993137 1325871212 /nfs/dbraw/zinc/87/12/12/1325871212.db2.gz USNXHXUIZJYKQN-OYRHEFFESA-N 1 3 345.531 2.445 10 30 EEEEHO CCCN(C)CC(=O)N1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001317161385 1332106048 /nfs/dbraw/zinc/10/60/48/1332106048.db2.gz HNPTVFCJWRHRJJ-HXUWFJFHSA-N 1 3 341.499 2.208 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@@H](C)CC(C)C)CC1 ZINC001318228822 1332493375 /nfs/dbraw/zinc/49/33/75/1332493375.db2.gz SNYZMPIGXXDMSO-IHPCNDPISA-N 1 3 345.531 2.299 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](C)CC(C)C)CC1 ZINC001318228822 1332493377 /nfs/dbraw/zinc/49/33/77/1332493377.db2.gz SNYZMPIGXXDMSO-IHPCNDPISA-N 1 3 345.531 2.299 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H](CNCC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001323098428 1333385097 /nfs/dbraw/zinc/38/50/97/1333385097.db2.gz CKYVLMUBUDZVIA-UXHICEINSA-N 1 3 341.499 2.109 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001323114345 1333388359 /nfs/dbraw/zinc/38/83/59/1333388359.db2.gz QQHFPVFVBXWACY-HXUWFJFHSA-N 1 3 343.515 2.316 10 30 EEEEHO C=C(C)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001333023140 1335949658 /nfs/dbraw/zinc/94/96/58/1335949658.db2.gz YFJYKZKHSBVCBR-ZIAGYGMSSA-N 1 3 335.414 2.273 10 30 EEEEHO C=C(C)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001333023140 1335949661 /nfs/dbraw/zinc/94/96/61/1335949661.db2.gz YFJYKZKHSBVCBR-ZIAGYGMSSA-N 1 3 335.414 2.273 10 30 EEEEHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001661491548 1354645345 /nfs/dbraw/zinc/64/53/45/1354645345.db2.gz OABBRJXBQXAVBF-IYARVYRRSA-N 1 3 347.890 2.270 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001661491548 1354645348 /nfs/dbraw/zinc/64/53/48/1354645348.db2.gz OABBRJXBQXAVBF-IYARVYRRSA-N 1 3 347.890 2.270 10 30 EEEEHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001666563807 1355545216 /nfs/dbraw/zinc/54/52/16/1355545216.db2.gz WCASOOCOQKETEJ-INIZCTEOSA-N 1 3 345.462 2.003 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCC#Cc1ccccc1Cl ZINC001671342410 1356330388 /nfs/dbraw/zinc/33/03/88/1356330388.db2.gz JVNYSVWRSAOSJQ-KRWDZBQOSA-N 1 3 347.890 2.224 10 30 EEEEHO CC(C)(C(=O)NC/C=C\CNCc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001699292223 1405323044 /nfs/dbraw/zinc/32/30/44/1405323044.db2.gz ONHBLLRPYQIZMB-ARJAWSKDSA-N 1 3 340.471 2.195 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1cccc(C#N)c1 ZINC001440189220 1093252915 /nfs/dbraw/zinc/25/29/15/1093252915.db2.gz IOFZZNRWUOAICJ-MOPGFXCFSA-N 1 3 340.471 2.075 10 30 EEEEHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501153951 1113217821 /nfs/dbraw/zinc/21/78/21/1113217821.db2.gz YQTCIRUCWPGYDK-LPHOPBHVSA-N 1 3 342.487 2.083 10 30 EEEEHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CCO1 ZINC001502079859 1113580008 /nfs/dbraw/zinc/58/00/08/1113580008.db2.gz YJWLRTADYAUYTO-ZWKOTPCHSA-N 1 3 337.508 2.034 10 30 EEEEHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C(C)C)N(C)C ZINC001568461543 1124524618 /nfs/dbraw/zinc/52/46/18/1124524618.db2.gz BKBOSQQXECFRBN-OALUTQOASA-N 1 3 347.478 2.248 10 30 EEEEHO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000182896007 464751816 /nfs/dbraw/zinc/75/18/16/464751816.db2.gz DYNKTGLHZKUDJY-LJQANCHMSA-N 1 3 342.487 2.169 10 30 EEEEHO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000182896007 464751821 /nfs/dbraw/zinc/75/18/21/464751821.db2.gz DYNKTGLHZKUDJY-LJQANCHMSA-N 1 3 342.487 2.169 10 30 EEEEHO C[C@@]1(NCC#CC[NH2+][C@@]2(C)CCO[C@H]2C2CC2)CCO[C@@H]1C1CC1 ZINC000367465506 466357756 /nfs/dbraw/zinc/35/77/56/466357756.db2.gz ZXJNNQHQKMSYCN-FGYAAKKASA-N 1 3 332.488 2.084 10 30 EEEEHO C[C@@]1([NH2+]CC#CCN[C@@]2(C)CCO[C@H]2C2CC2)CCO[C@@H]1C1CC1 ZINC000367465506 466357761 /nfs/dbraw/zinc/35/77/61/466357761.db2.gz ZXJNNQHQKMSYCN-FGYAAKKASA-N 1 3 332.488 2.084 10 30 EEEEHO C=CCN(CC=C)[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)C(C)C ZINC000417058332 466767641 /nfs/dbraw/zinc/76/76/41/466767641.db2.gz FJRLHUQHDCGTNB-ROUUACIJSA-N 1 3 334.508 2.221 10 30 EEEEHO Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)c(OCC[NH+](C)C)c1 ZINC000594438623 468586452 /nfs/dbraw/zinc/58/64/52/468586452.db2.gz OXCAJYFLZMHPEB-HNNXBMFYSA-N 1 3 332.448 2.285 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000596724703 469344383 /nfs/dbraw/zinc/34/43/83/469344383.db2.gz CDRDWDBNWMOGFK-ZDUSSCGKSA-N 1 3 335.427 2.091 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000596724703 469344389 /nfs/dbraw/zinc/34/43/89/469344389.db2.gz CDRDWDBNWMOGFK-ZDUSSCGKSA-N 1 3 335.427 2.091 10 30 EEEEHO C=CCN(CC=C)[C@@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C(C)C ZINC000626936939 469762023 /nfs/dbraw/zinc/76/20/23/469762023.db2.gz NYOMGBWXXHACHW-YSIASYRMSA-N 1 3 348.535 2.326 10 30 EEEEHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C(C)C ZINC000669385707 471471560 /nfs/dbraw/zinc/47/15/60/471471560.db2.gz PEJSJRSXALMHOL-ICSRJNTNSA-N 1 3 348.535 2.470 10 30 EEEEHO C=CC[C@]1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000662794802 472254933 /nfs/dbraw/zinc/25/49/33/472254933.db2.gz UBUNEKXWQDHVNN-IMFGXOCKSA-N 1 3 327.472 2.321 10 30 EEEEHO C=CC[C@]1(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662873281 472287019 /nfs/dbraw/zinc/28/70/19/472287019.db2.gz VQPIKXFWSKODRH-TZIWHRDSSA-N 1 3 341.499 2.460 10 30 EEEEHO CC[N@H+](C)CCC(=O)NC[C@@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC001266436450 1176532336 /nfs/dbraw/zinc/53/23/36/1176532336.db2.gz DPBQQBFRHBNLDV-LJQANCHMSA-N 1 3 345.462 2.003 10 30 EEEEHO CC[N@@H+](C)CCC(=O)NC[C@@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC001266436450 1176532344 /nfs/dbraw/zinc/53/23/44/1176532344.db2.gz DPBQQBFRHBNLDV-LJQANCHMSA-N 1 3 345.462 2.003 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@](C)(CNCc1ccc(C#N)cc1F)C1CC1 ZINC001481939820 1182996699 /nfs/dbraw/zinc/99/66/99/1182996699.db2.gz CATQQONRKPRLEE-LJQANCHMSA-N 1 3 346.450 2.024 10 30 EEEEHO C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001481977275 1183066465 /nfs/dbraw/zinc/06/64/65/1183066465.db2.gz SJPQSPPQLDMEGK-HNNXBMFYSA-N 1 3 327.900 2.442 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)cc1 ZINC001482032724 1183174371 /nfs/dbraw/zinc/17/43/71/1183174371.db2.gz IPOMLZCVQSJHCY-LJQANCHMSA-N 1 3 327.472 2.148 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)cc1 ZINC001482032724 1183174377 /nfs/dbraw/zinc/17/43/77/1183174377.db2.gz IPOMLZCVQSJHCY-LJQANCHMSA-N 1 3 327.472 2.148 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCC(C)C)CC1 ZINC001483987465 1191143606 /nfs/dbraw/zinc/14/36/06/1191143606.db2.gz QSVGFDLFONJVIJ-GOSISDBHSA-N 1 3 333.520 2.301 10 30 EEEEHO CN(C)C1(C(=O)NC2CC(C[NH2+]CC#Cc3ccccc3)C2)CCC1 ZINC001485093142 1191653271 /nfs/dbraw/zinc/65/32/71/1191653271.db2.gz BSQOAEPACXZMFY-UHFFFAOYSA-N 1 3 339.483 2.007 10 30 EEEEHO C[C@@H](NCC#Cc1ccccc1Cl)[C@H](C)NC(=O)CC[NH+](C)C ZINC001485188095 1191685160 /nfs/dbraw/zinc/68/51/60/1191685160.db2.gz GYSUOECVJPXXIC-CABCVRRESA-N 1 3 335.879 2.126 10 30 EEEEHO CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC#Cc1ccccc1)N(C)C ZINC001485263381 1191710043 /nfs/dbraw/zinc/71/00/43/1191710043.db2.gz BQXWCSJGQKNLIP-LJQANCHMSA-N 1 3 343.515 2.453 10 30 EEEEHO C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C(C)C)C[C@@H]21 ZINC001410927666 1198592075 /nfs/dbraw/zinc/59/20/75/1198592075.db2.gz UZGLHRDMQIDVOD-HRCADAONSA-N 1 3 327.900 2.296 10 30 EEEEHO CC#CC[NH2+][C@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC001278667568 1317607677 /nfs/dbraw/zinc/60/76/77/1317607677.db2.gz RSAQXLGIFNXTJV-HNAYVOBHSA-N 1 3 337.483 2.049 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccc(CF)cc2)CC1 ZINC001321756120 1333153452 /nfs/dbraw/zinc/15/34/52/1333153452.db2.gz JHYIGLRJGOCXKQ-MRXNPFEDSA-N 1 3 345.462 2.096 10 30 EEEEHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001328686105 1334499404 /nfs/dbraw/zinc/49/94/04/1334499404.db2.gz AQJMOKHYZYZWBS-ILZDJORESA-N 1 3 327.472 2.419 10 30 EEEEHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001328686105 1334499405 /nfs/dbraw/zinc/49/94/05/1334499405.db2.gz AQJMOKHYZYZWBS-ILZDJORESA-N 1 3 327.472 2.419 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CCC([C@@H]3CCC[NH2+]CC3)CC2)CC1 ZINC001335459295 1336378565 /nfs/dbraw/zinc/37/85/65/1336378565.db2.gz FGWUGZLDFLZANB-QGZVFWFLSA-N 1 3 348.535 2.448 10 30 EEEEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001567059493 1342688724 /nfs/dbraw/zinc/68/87/24/1342688724.db2.gz OQCBTOUWWIZUQE-ICSRJNTNSA-N 1 3 341.499 2.395 10 30 EEEEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001567059493 1342688727 /nfs/dbraw/zinc/68/87/27/1342688727.db2.gz OQCBTOUWWIZUQE-ICSRJNTNSA-N 1 3 341.499 2.395 10 30 EEEEHO CC[N@@H+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@H]1CCCN1C ZINC001660502737 1354476380 /nfs/dbraw/zinc/47/63/80/1354476380.db2.gz XQIXYZMZXUEGTB-LJQANCHMSA-N 1 3 345.462 2.100 10 30 EEEEHO CC[N@H+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@H]1CCCN1C ZINC001660502737 1354476382 /nfs/dbraw/zinc/47/63/82/1354476382.db2.gz XQIXYZMZXUEGTB-LJQANCHMSA-N 1 3 345.462 2.100 10 30 EEEEHO C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001661554847 1354656871 /nfs/dbraw/zinc/65/68/71/1354656871.db2.gz HDNIYQYPPUMHSR-ROUUACIJSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001661554847 1354656874 /nfs/dbraw/zinc/65/68/74/1354656874.db2.gz HDNIYQYPPUMHSR-ROUUACIJSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]C(C)C)C2CCCCC2)CC1 ZINC001667151503 1355658137 /nfs/dbraw/zinc/65/81/37/1355658137.db2.gz NCGWIWPAGQDKOS-IBGZPJMESA-N 1 3 333.520 2.395 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CN(C)C1CCC1 ZINC001699104283 1405258003 /nfs/dbraw/zinc/25/80/03/1405258003.db2.gz GXUNAEWRAXJDDO-AWEZNQCLSA-N 1 3 346.450 2.166 10 30 EEEEHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941076617 779797678 /nfs/dbraw/zinc/79/76/78/779797678.db2.gz YRQRXWXGQPLVLI-ROUUACIJSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941076617 779797688 /nfs/dbraw/zinc/79/76/88/779797688.db2.gz YRQRXWXGQPLVLI-ROUUACIJSA-N 1 3 333.520 2.491 10 30 EEEEHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccc(C#N)s1 ZINC001480481010 1100289229 /nfs/dbraw/zinc/28/92/29/1100289229.db2.gz UZGLLXKUPSNZIN-ZIAGYGMSSA-N 1 3 334.489 2.088 10 30 EEEEHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccc(C#N)s1 ZINC001480481010 1100289231 /nfs/dbraw/zinc/28/92/31/1100289231.db2.gz UZGLLXKUPSNZIN-ZIAGYGMSSA-N 1 3 334.489 2.088 10 30 EEEEHO C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CN(C)C1CCC1 ZINC001497207006 1102126145 /nfs/dbraw/zinc/12/61/45/1102126145.db2.gz WVDUEABRDQCDPM-CQSZACIVSA-N 1 3 346.450 2.166 10 30 EEEEHO C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001501235028 1113255511 /nfs/dbraw/zinc/25/55/11/1113255511.db2.gz BEEAHBZLPHPAHO-QRVBRYPASA-N 1 3 333.520 2.463 10 30 EEEEHO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001501235028 1113255516 /nfs/dbraw/zinc/25/55/16/1113255516.db2.gz BEEAHBZLPHPAHO-QRVBRYPASA-N 1 3 333.520 2.463 10 30 EEEEHO C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001506548512 1114690405 /nfs/dbraw/zinc/69/04/05/1114690405.db2.gz JKPNVRJBDXXOQC-MAUKXSAKSA-N 1 3 325.472 2.097 10 30 EEEEHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001506897919 1114958374 /nfs/dbraw/zinc/95/83/74/1114958374.db2.gz CSFUMWGSUZFLQC-BZUAXINKSA-N 1 3 327.900 2.486 10 30 EEEEHO CN(C[C@H](O)CC1(C#N)CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302801 469199870 /nfs/dbraw/zinc/19/98/70/469199870.db2.gz KIIUADKVJSFZRZ-RTBURBONSA-N 1 3 327.472 2.495 10 30 EEEEHO CN(C[C@H](O)CC1(C#N)CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302801 469199876 /nfs/dbraw/zinc/19/98/76/469199876.db2.gz KIIUADKVJSFZRZ-RTBURBONSA-N 1 3 327.472 2.495 10 30 EEEEHO C[NH+]=C(NCc1ccn(C2CCCC2)n1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000262015854 682848231 /nfs/dbraw/zinc/84/82/31/682848231.db2.gz XSSXMAWYYUEDLW-MAUKXSAKSA-N 1 3 346.523 2.392 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266939296 1177853125 /nfs/dbraw/zinc/85/31/25/1177853125.db2.gz FBMJXBLIUBKXPD-HKUYNNGSSA-N 1 3 327.472 2.005 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266939296 1177853133 /nfs/dbraw/zinc/85/31/33/1177853133.db2.gz FBMJXBLIUBKXPD-HKUYNNGSSA-N 1 3 327.472 2.005 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)CCC[NH+]1CCCCC1 ZINC001267469901 1179094876 /nfs/dbraw/zinc/09/48/76/1179094876.db2.gz DOJKZLTYHORHPU-UHFFFAOYSA-N 1 3 348.516 2.434 10 30 EEEEHO CC#CC[NH+]1CCC(C)(CNC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001270911550 1185735808 /nfs/dbraw/zinc/73/58/08/1185735808.db2.gz ORFNQPSTRSHKBV-SFHVURJKSA-N 1 3 333.520 2.493 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001484519818 1191393666 /nfs/dbraw/zinc/39/36/66/1191393666.db2.gz BFZPBIRVWOKMQW-CVEARBPZSA-N 1 3 327.900 2.440 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484519818 1191393668 /nfs/dbraw/zinc/39/36/68/1191393668.db2.gz BFZPBIRVWOKMQW-CVEARBPZSA-N 1 3 327.900 2.440 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001484522280 1191397009 /nfs/dbraw/zinc/39/70/09/1191397009.db2.gz GFGXADBRKRVCSZ-JKSUJKDBSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001484522280 1191397011 /nfs/dbraw/zinc/39/70/11/1191397011.db2.gz GFGXADBRKRVCSZ-JKSUJKDBSA-N 1 3 327.900 2.442 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001485228581 1191698281 /nfs/dbraw/zinc/69/82/81/1191698281.db2.gz DLXVQXPLSFMLHL-SJORKVTESA-N 1 3 327.472 2.015 10 30 EEEEHO C#CCN(C)CCCNC(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000883667627 1202107119 /nfs/dbraw/zinc/10/71/19/1202107119.db2.gz ALXRUVDNIDWXOI-UHFFFAOYSA-N 1 3 348.535 2.382 10 30 EEEEHO C#CCN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000886576183 1202526209 /nfs/dbraw/zinc/52/62/09/1202526209.db2.gz ZKDHSZGFVUFHHI-IBGZPJMESA-N 1 3 339.483 2.065 10 30 EEEEHO C#CCN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(C)CC1 ZINC000886576183 1202526210 /nfs/dbraw/zinc/52/62/10/1202526210.db2.gz ZKDHSZGFVUFHHI-IBGZPJMESA-N 1 3 339.483 2.065 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC001274841184 1205182063 /nfs/dbraw/zinc/18/20/63/1205182063.db2.gz PRUKLLVOABIEOY-INIZCTEOSA-N 1 3 345.462 2.155 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000901171017 1235312440 /nfs/dbraw/zinc/31/24/40/1235312440.db2.gz GGZFJFLVLBFKOS-INIZCTEOSA-N 1 3 330.476 2.231 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001491022963 1258580479 /nfs/dbraw/zinc/58/04/79/1258580479.db2.gz KUHHPSMIJFMOLV-HSALFYBXSA-N 1 3 339.483 2.149 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001491022963 1258580485 /nfs/dbraw/zinc/58/04/85/1258580485.db2.gz KUHHPSMIJFMOLV-HSALFYBXSA-N 1 3 339.483 2.149 10 30 EEEEHO Cc1ccccc1CN1CCCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852858245 1292218401 /nfs/dbraw/zinc/21/84/01/1292218401.db2.gz WBEZMSDDJZXVKT-UHFFFAOYSA-N 1 3 339.483 2.032 10 30 EEEEHO C=CCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCO1 ZINC001280584849 1324317160 /nfs/dbraw/zinc/31/71/60/1324317160.db2.gz UHCAPKBBHGMLNL-KRWDZBQOSA-N 1 3 337.508 2.034 10 30 EEEEHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001281098049 1324760406 /nfs/dbraw/zinc/76/04/06/1324760406.db2.gz AOAZQBYVDPYQQK-HXUWFJFHSA-N 1 3 331.504 2.200 10 30 EEEEHO C[C@@H]1C[C@H](NCC#Cc2ccc(F)cc2)CN1C(=O)CCC[NH+](C)C ZINC001284005007 1326358967 /nfs/dbraw/zinc/35/89/67/1326358967.db2.gz VBRPWGMZDNOXJG-APWZRJJASA-N 1 3 345.462 2.098 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC[C@@H](C)F)C(C)(C)C)CC1 ZINC001284653694 1326647854 /nfs/dbraw/zinc/64/78/54/1326647854.db2.gz VBSWSRAJTVSLSU-NVXWUHKLSA-N 1 3 339.499 2.200 10 30 EEEEHO CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001316664224 1330064260 /nfs/dbraw/zinc/06/42/60/1330064260.db2.gz MNCPHRXQASOKCF-ZCNNSNEGSA-N 1 3 341.499 2.253 10 30 EEEEHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317180969 1332118130 /nfs/dbraw/zinc/11/81/30/1332118130.db2.gz NRXMDPRHEZVTDG-MOPGFXCFSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCCN1CC[C@@H](N(CCC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317770574 1332403670 /nfs/dbraw/zinc/40/36/70/1332403670.db2.gz SMWTYFSBGPTFEX-HXUWFJFHSA-N 1 3 345.531 2.445 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001321532610 1333119752 /nfs/dbraw/zinc/11/97/52/1333119752.db2.gz JKPDLAHOLBOJKL-VQIMIIECSA-N 1 3 345.462 2.146 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001321532610 1333119753 /nfs/dbraw/zinc/11/97/53/1333119753.db2.gz JKPDLAHOLBOJKL-VQIMIIECSA-N 1 3 345.462 2.146 10 30 EEEEHO C=C(C)C[NH2+]C1(CNC(=O)C(C)(C)N2CCCCC2)CCOCC1 ZINC001325003735 1333805788 /nfs/dbraw/zinc/80/57/88/1333805788.db2.gz XQPROCYJFQCTQM-UHFFFAOYSA-N 1 3 337.508 2.082 10 30 EEEEHO C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001325901864 1333990791 /nfs/dbraw/zinc/99/07/91/1333990791.db2.gz ZIONYXGGSQCVKK-OALUTQOASA-N 1 3 331.504 2.340 10 30 EEEEHO C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001325901864 1333990795 /nfs/dbraw/zinc/99/07/95/1333990795.db2.gz ZIONYXGGSQCVKK-OALUTQOASA-N 1 3 331.504 2.340 10 30 EEEEHO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001325901866 1333990965 /nfs/dbraw/zinc/99/09/65/1333990965.db2.gz ZIONYXGGSQCVKK-RTBURBONSA-N 1 3 331.504 2.340 10 30 EEEEHO C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001325901866 1333990967 /nfs/dbraw/zinc/99/09/67/1333990967.db2.gz ZIONYXGGSQCVKK-RTBURBONSA-N 1 3 331.504 2.340 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328098614 1334396142 /nfs/dbraw/zinc/39/61/42/1334396142.db2.gz PDBJRPPIDPQCRW-ZWKOTPCHSA-N 1 3 333.520 2.347 10 30 EEEEHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC#Cc1ccccc1 ZINC001667458612 1355745628 /nfs/dbraw/zinc/74/56/28/1355745628.db2.gz MRPIFJJRHYYOAH-MISYRCLQSA-N 1 3 341.499 2.109 10 30 EEEEHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC#Cc1ccccc1 ZINC001667458612 1355745631 /nfs/dbraw/zinc/74/56/31/1355745631.db2.gz MRPIFJJRHYYOAH-MISYRCLQSA-N 1 3 341.499 2.109 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001500292319 1342139070 /nfs/dbraw/zinc/13/90/70/1342139070.db2.gz IBTNOEWLAOMVAH-YJJPMGAVSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001500292319 1342139072 /nfs/dbraw/zinc/13/90/72/1342139072.db2.gz IBTNOEWLAOMVAH-YJJPMGAVSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC/C=C\CC)CC1 ZINC001656109127 1354202407 /nfs/dbraw/zinc/20/24/07/1354202407.db2.gz FRGXEPQRCZVMLX-LIXSYLKWSA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC/C=C\CC)CC1 ZINC001656109127 1354202410 /nfs/dbraw/zinc/20/24/10/1354202410.db2.gz FRGXEPQRCZVMLX-LIXSYLKWSA-N 1 3 331.504 2.221 10 30 EEEEHO C#CC[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001666172536 1355474870 /nfs/dbraw/zinc/47/48/70/1355474870.db2.gz IUMBFWQGYKPNFM-KRWDZBQOSA-N 1 3 327.472 2.213 10 30 EEEEHO CC#CCNC[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001671337283 1356329483 /nfs/dbraw/zinc/32/94/83/1356329483.db2.gz FLZFXSFEMAHSNN-MOPGFXCFSA-N 1 3 331.504 2.387 10 30 EEEEHO CC#CCNC[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001671337283 1356329486 /nfs/dbraw/zinc/32/94/86/1356329486.db2.gz FLZFXSFEMAHSNN-MOPGFXCFSA-N 1 3 331.504 2.387 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001698717142 1405021381 /nfs/dbraw/zinc/02/13/81/1405021381.db2.gz PCXTWTOBJCUJEA-IBGZPJMESA-N 1 3 327.472 2.146 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001698717142 1405021389 /nfs/dbraw/zinc/02/13/89/1405021389.db2.gz PCXTWTOBJCUJEA-IBGZPJMESA-N 1 3 327.472 2.146 10 30 EEEEHO C#CCN(C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)C1CCN(C)CC1 ZINC000921565634 789751697 /nfs/dbraw/zinc/75/16/97/789751697.db2.gz NNYNINULHMNJBI-GOSISDBHSA-N 1 3 348.535 2.093 10 30 EEEEHO C#CCN(C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)C1CCN(C)CC1 ZINC000921565634 789751700 /nfs/dbraw/zinc/75/17/00/789751700.db2.gz NNYNINULHMNJBI-GOSISDBHSA-N 1 3 348.535 2.093 10 30 EEEEHO C#CCN(C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)C1CCN(C)CC1 ZINC000914099938 794873584 /nfs/dbraw/zinc/87/35/84/794873584.db2.gz NUJLVFVBPGRJGI-GOSISDBHSA-N 1 3 348.535 2.238 10 30 EEEEHO C#CCN(C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)C1CCN(C)CC1 ZINC000914099938 794873590 /nfs/dbraw/zinc/87/35/90/794873590.db2.gz NUJLVFVBPGRJGI-GOSISDBHSA-N 1 3 348.535 2.238 10 30 EEEEHO C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001437310238 1089468860 /nfs/dbraw/zinc/46/88/60/1089468860.db2.gz JKPGPROMNOQAHN-WMLDXEAASA-N 1 3 345.890 2.390 10 30 EEEEHO C[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CN1C(=O)CCC[NH+](C)C ZINC001441828634 1095883852 /nfs/dbraw/zinc/88/38/52/1095883852.db2.gz BMGWMNVOONOMMN-WMLDXEAASA-N 1 3 346.450 2.118 10 30 EEEEHO CC(C)[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001496603450 1101204285 /nfs/dbraw/zinc/20/42/85/1101204285.db2.gz ROVQIEJUELNTTR-LPHOPBHVSA-N 1 3 342.487 2.130 10 30 EEEEHO CC[C@@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001494984685 1104629929 /nfs/dbraw/zinc/62/99/29/1104629929.db2.gz JYBNTQBZVBKDJI-OALUTQOASA-N 1 3 342.487 2.415 10 30 EEEEHO CC#CC[NH2+][C@H](CCNC(=O)CN1CC[C@H](C)C1)Cc1ccccc1 ZINC001507390215 1115247280 /nfs/dbraw/zinc/24/72/80/1115247280.db2.gz SWDKLEIYFKBVCV-AZUAARDMSA-N 1 3 341.499 2.059 10 30 EEEEHO CCCN1CCC(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000518518791 267017467 /nfs/dbraw/zinc/01/74/67/267017467.db2.gz GSENAOZCYCKKMP-UHFFFAOYSA-N 1 3 349.500 2.044 10 30 EEEEHO C[C@H](O)C[C@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181272 465298445 /nfs/dbraw/zinc/29/84/45/465298445.db2.gz ZDTXFCQTWXLVMX-LWYYNNOASA-N 1 3 336.520 2.241 10 30 EEEEHO C[C@H](O)C[C@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000342181272 465298452 /nfs/dbraw/zinc/29/84/52/465298452.db2.gz ZDTXFCQTWXLVMX-LWYYNNOASA-N 1 3 336.520 2.241 10 30 EEEEHO C[C@H](O)C[C@H]1CCCC[N@H+]1CC#CCN1CCCC[C@H]1C[C@H](C)O ZINC000342181272 465298455 /nfs/dbraw/zinc/29/84/55/465298455.db2.gz ZDTXFCQTWXLVMX-LWYYNNOASA-N 1 3 336.520 2.241 10 30 EEEEHO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC#CCN1CCCC[C@H]1C[C@H](C)O ZINC000342181272 465298462 /nfs/dbraw/zinc/29/84/62/465298462.db2.gz ZDTXFCQTWXLVMX-LWYYNNOASA-N 1 3 336.520 2.241 10 30 EEEEHO N#Cc1ccc(OC[C@H](O)CN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047970428 462844453 /nfs/dbraw/zinc/84/44/53/462844453.db2.gz LMYPTMHUDFBQCF-LJQANCHMSA-N 1 3 343.471 2.106 10 30 EEEEHO C=CCN1CCC(NC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416150966 526420069 /nfs/dbraw/zinc/42/00/69/526420069.db2.gz NHBYDNVJRKRIDK-UHFFFAOYSA-N 1 3 327.472 2.201 10 30 EEEEHO C=CCN1CCC(NC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000416150966 526420076 /nfs/dbraw/zinc/42/00/76/526420076.db2.gz NHBYDNVJRKRIDK-UHFFFAOYSA-N 1 3 327.472 2.201 10 30 EEEEHO C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261980227 682722932 /nfs/dbraw/zinc/72/29/32/682722932.db2.gz OSRANVZDJDOLGY-JBCQCRMPSA-N 1 3 340.515 2.466 10 30 EEEEHO C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001691427881 1178314792 /nfs/dbraw/zinc/31/47/92/1178314792.db2.gz GLXFZYXQGNMJPC-BHIYHBOVSA-N 1 3 331.504 2.101 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001268671490 1183600285 /nfs/dbraw/zinc/60/02/85/1183600285.db2.gz UKNYLIRAWKQNLP-QAPCUYQASA-N 1 3 349.906 2.372 10 30 EEEEHO C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001270024391 1184792139 /nfs/dbraw/zinc/79/21/39/1184792139.db2.gz CMNGACNTLXASQM-GPMSIDNRSA-N 1 3 337.483 2.239 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270346082 1185035095 /nfs/dbraw/zinc/03/50/95/1185035095.db2.gz YMQPGDRGXCEIPT-LMDPOFIKSA-N 1 3 345.531 2.301 10 30 EEEEHO C#CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CCN(CC=C)CC1 ZINC001270350931 1185039414 /nfs/dbraw/zinc/03/94/14/1185039414.db2.gz FLRRZZVEIOGCGU-UHFFFAOYSA-N 1 3 339.483 2.474 10 30 EEEEHO C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271110141 1185893197 /nfs/dbraw/zinc/89/31/97/1185893197.db2.gz QTVHKNUSLOOJFB-JKSUJKDBSA-N 1 3 343.462 2.366 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001271534833 1186295046 /nfs/dbraw/zinc/29/50/46/1186295046.db2.gz OILVHVRRWWCOCQ-IRXDYDNUSA-N 1 3 339.911 2.442 10 30 EEEEHO CC[N@H+](C)CCC(=O)N1CCC[C@H]1CNCc1ccc(C#N)c(F)c1 ZINC001483951053 1191129251 /nfs/dbraw/zinc/12/92/51/1191129251.db2.gz WUMRBOGGIJIHJO-KRWDZBQOSA-N 1 3 346.450 2.120 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N1CCC[C@H]1CNCc1ccc(C#N)c(F)c1 ZINC001483951053 1191129252 /nfs/dbraw/zinc/12/92/52/1191129252.db2.gz WUMRBOGGIJIHJO-KRWDZBQOSA-N 1 3 346.450 2.120 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001273018786 1194324909 /nfs/dbraw/zinc/32/49/09/1194324909.db2.gz OSBGXQBEWLUUAA-CABCVRRESA-N 1 3 346.450 2.024 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001273204491 1197516469 /nfs/dbraw/zinc/51/64/69/1197516469.db2.gz LJUYIGFRAJPBBR-APWZRJJASA-N 1 3 342.487 2.417 10 30 EEEEHO CC[C@H](C(=O)N1CCC(C)([NH2+]CC#Cc2ccccc2)CC1)N(C)C ZINC001274344694 1205001894 /nfs/dbraw/zinc/00/18/94/1205001894.db2.gz DCSSLZFJXPBHSL-LJQANCHMSA-N 1 3 341.499 2.349 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000901004280 1235102593 /nfs/dbraw/zinc/10/25/93/1235102593.db2.gz UOCGKYHGXKUZHS-UHFFFAOYSA-N 1 3 345.487 2.337 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC)Cc2ccccc2)CC1 ZINC001490361815 1291302333 /nfs/dbraw/zinc/30/23/33/1291302333.db2.gz OZTKHDXACZNMJZ-UHFFFAOYSA-N 1 3 341.499 2.360 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@H+](CC)Cc2ccccc2)CC1 ZINC001490361815 1291302345 /nfs/dbraw/zinc/30/23/45/1291302345.db2.gz OZTKHDXACZNMJZ-UHFFFAOYSA-N 1 3 341.499 2.360 10 30 EEEEHO CN1CCC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1cccs1 ZINC000852869644 1292221995 /nfs/dbraw/zinc/22/19/95/1292221995.db2.gz DBTWSEBKGXNRMN-QFBILLFUSA-N 1 3 345.512 2.250 10 30 EEEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)C[C@H]1C(F)(F)F ZINC001278702629 1317794018 /nfs/dbraw/zinc/79/40/18/1317794018.db2.gz AUESPYUASVJFAO-UONOGXRCSA-N 1 3 335.414 2.131 10 30 EEEEHO C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001278747888 1317958004 /nfs/dbraw/zinc/95/80/04/1317958004.db2.gz ULVKLYLKMOVTGB-GJZGRUSLSA-N 1 3 331.451 2.222 10 30 EEEEHO C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001278747888 1317958009 /nfs/dbraw/zinc/95/80/09/1317958009.db2.gz ULVKLYLKMOVTGB-GJZGRUSLSA-N 1 3 331.451 2.222 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(F)c1 ZINC001279722930 1323986372 /nfs/dbraw/zinc/98/63/72/1323986372.db2.gz PLASHXACQDVFPL-HUUCEWRRSA-N 1 3 331.435 2.038 10 30 EEEEHO C=CCOCCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001316933382 1331999349 /nfs/dbraw/zinc/99/93/49/1331999349.db2.gz JNCNZRJQKSKDLM-MOPGFXCFSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCOCCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001316933382 1331999350 /nfs/dbraw/zinc/99/93/50/1331999350.db2.gz JNCNZRJQKSKDLM-MOPGFXCFSA-N 1 3 349.519 2.129 10 30 EEEEHO CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC#Cc2ccccc2)C1)N(C)C ZINC001317842331 1332428427 /nfs/dbraw/zinc/42/84/27/1332428427.db2.gz OYLOHYPEYMVQRG-VQTJNVASSA-N 1 3 341.499 2.159 10 30 EEEEHO CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC#Cc2ccccc2)C1)N(C)C ZINC001317842331 1332428428 /nfs/dbraw/zinc/42/84/28/1332428428.db2.gz OYLOHYPEYMVQRG-VQTJNVASSA-N 1 3 341.499 2.159 10 30 EEEEHO CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001324812957 1333765592 /nfs/dbraw/zinc/76/55/92/1333765592.db2.gz KCQPRRLPEKWSND-CTNGQTDRSA-N 1 3 341.499 2.207 10 30 EEEEHO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001332458539 1335828421 /nfs/dbraw/zinc/82/84/21/1335828421.db2.gz HWSAISIGOAPRMZ-UKRRQHHQSA-N 1 3 347.425 2.273 10 30 EEEEHO C#CC[C@H]1CCCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000848236791 1338602280 /nfs/dbraw/zinc/60/22/80/1338602280.db2.gz KIUTZSWNZGARQO-SFHVURJKSA-N 1 3 345.531 2.445 10 30 EEEEHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001567059494 1342688685 /nfs/dbraw/zinc/68/86/85/1342688685.db2.gz OQCBTOUWWIZUQE-QUCCMNQESA-N 1 3 341.499 2.395 10 30 EEEEHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001567059494 1342688693 /nfs/dbraw/zinc/68/86/93/1342688693.db2.gz OQCBTOUWWIZUQE-QUCCMNQESA-N 1 3 341.499 2.395 10 30 EEEEHO C[NH+](C)CCC(=O)NCCC[C@@H]1CCCN1CC#Cc1ccccc1 ZINC001663103466 1354914538 /nfs/dbraw/zinc/91/45/38/1354914538.db2.gz BMYWDNJCIVQQOB-HXUWFJFHSA-N 1 3 341.499 2.351 10 30 EEEEHO C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCCN1CC)c1ccccc1 ZINC001664599921 1355198067 /nfs/dbraw/zinc/19/80/67/1355198067.db2.gz WHEIXJWBSIHOSP-OALUTQOASA-N 1 3 327.472 2.331 10 30 EEEEHO C#CCC[NH2+]C[C@@]1(NC(=O)C2CCN(CC#C)CC2)CCCC[C@@H]1C ZINC001666069749 1355439828 /nfs/dbraw/zinc/43/98/28/1355439828.db2.gz WHNUUXFOHJHLLG-RXVVDRJESA-N 1 3 343.515 2.010 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]CCC2=CCCCC2)CC1 ZINC001669206962 1356124659 /nfs/dbraw/zinc/12/46/59/1356124659.db2.gz IKZYTNLJBHCAEB-VOTSOKGWSA-N 1 3 343.515 2.484 10 30 EEEEHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001669443574 1356160782 /nfs/dbraw/zinc/16/07/82/1356160782.db2.gz JNLOVEUDGZTJMQ-OAHLLOKOSA-N 1 3 335.879 2.128 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1 ZINC001669443574 1356160787 /nfs/dbraw/zinc/16/07/87/1356160787.db2.gz JNLOVEUDGZTJMQ-OAHLLOKOSA-N 1 3 335.879 2.128 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CC2CCC2)CC1 ZINC001671491464 1356349272 /nfs/dbraw/zinc/34/92/72/1356349272.db2.gz BUUKSFIVXAKKGI-KRWDZBQOSA-N 1 3 331.504 2.055 10 30 EEEEHO C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCCN1CC)CC2 ZINC001675707641 1357041217 /nfs/dbraw/zinc/04/12/17/1357041217.db2.gz LSPIUQYZJHWNNM-ROUUACIJSA-N 1 3 349.519 2.034 10 30 EEEEHO C#CCN(C(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCN(C)CC1 ZINC000921324991 773288846 /nfs/dbraw/zinc/28/88/46/773288846.db2.gz UVZLSKFSRLSODY-UHFFFAOYSA-N 1 3 346.519 2.132 10 30 EEEEHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941075220 779795239 /nfs/dbraw/zinc/79/52/39/779795239.db2.gz ILASYAMJGUFPKI-ROUUACIJSA-N 1 3 333.520 2.489 10 30 EEEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941075220 779795242 /nfs/dbraw/zinc/79/52/42/779795242.db2.gz ILASYAMJGUFPKI-ROUUACIJSA-N 1 3 333.520 2.489 10 30 EEEEHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1)CC(C)(C)C ZINC001436965942 1088657035 /nfs/dbraw/zinc/65/70/35/1088657035.db2.gz KOOJQWHRLORSAB-HDICACEKSA-N 1 3 342.487 2.273 10 30 EEEEHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001437214492 1089293997 /nfs/dbraw/zinc/29/39/97/1089293997.db2.gz LMWCPMYKFUEAML-WMLDXEAASA-N 1 3 348.516 2.477 10 30 EEEEHO CC#CCN1CCC[C@@H]2[C@H](NC(=O)CC[N@@H+](C)CCC)C(C)(C)[C@H]21 ZINC001479613832 1098636300 /nfs/dbraw/zinc/63/63/00/1098636300.db2.gz OHZOUBVHQRWMFI-NEWSRXKRSA-N 1 3 333.520 2.347 10 30 EEEEHO CC#CCN1CCC[C@@H]2[C@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001479613832 1098636304 /nfs/dbraw/zinc/63/63/04/1098636304.db2.gz OHZOUBVHQRWMFI-NEWSRXKRSA-N 1 3 333.520 2.347 10 30 EEEEHO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001447872737 1103488160 /nfs/dbraw/zinc/48/81/60/1103488160.db2.gz SGAKZNBBOXFCFN-KGLIPLIRSA-N 1 3 346.450 2.164 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001480708530 1106927732 /nfs/dbraw/zinc/92/77/32/1106927732.db2.gz GXVOIUOMNUEYTJ-HUUCEWRRSA-N 1 3 348.516 2.477 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001480813526 1107164323 /nfs/dbraw/zinc/16/43/23/1107164323.db2.gz ICZNPFXCZWTFFB-QUCCMNQESA-N 1 3 341.499 2.397 10 30 EEEEHO C#CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1CC ZINC001498888922 1108281766 /nfs/dbraw/zinc/28/17/66/1108281766.db2.gz ILOFPGNVXZMJTQ-ROUUACIJSA-N 1 3 333.520 2.491 10 30 EEEEHO C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001500616608 1112979217 /nfs/dbraw/zinc/97/92/17/1112979217.db2.gz GJBNETQBXONONX-JKSUJKDBSA-N 1 3 343.462 2.368 10 30 EEEEHO C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001500616608 1112979221 /nfs/dbraw/zinc/97/92/21/1112979221.db2.gz GJBNETQBXONONX-JKSUJKDBSA-N 1 3 343.462 2.368 10 30 EEEEHO C[NH+](C)CCCC(=O)N1CCC(C)(NCc2ccccc2C#N)CC1 ZINC001502795125 1113802337 /nfs/dbraw/zinc/80/23/37/1113802337.db2.gz AHLVXBMMVXXATF-UHFFFAOYSA-N 1 3 342.487 2.371 10 30 EEEEHO C=CCC[C@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001506722355 1114832024 /nfs/dbraw/zinc/83/20/24/1114832024.db2.gz OSKMABXKKVXTBI-HKUYNNGSSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCC[C@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001506722355 1114832028 /nfs/dbraw/zinc/83/20/28/1114832028.db2.gz OSKMABXKKVXTBI-HKUYNNGSSA-N 1 3 349.519 2.129 10 30 EEEEHO CC#CC[NH2+][C@@H](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccc1 ZINC001507390219 1115247167 /nfs/dbraw/zinc/24/71/67/1115247167.db2.gz SWDKLEIYFKBVCV-QUCCMNQESA-N 1 3 341.499 2.059 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC2CC2)C2CCCCC2)CC1 ZINC001568348212 1124430938 /nfs/dbraw/zinc/43/09/38/1124430938.db2.gz BFERFSOHWJZDBE-HXUWFJFHSA-N 1 3 345.531 2.396 10 30 EEEEHO C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261953668 682623082 /nfs/dbraw/zinc/62/30/82/682623082.db2.gz IDWNSMORKDEDNO-UONOGXRCSA-N 1 3 335.496 2.366 10 30 EEEEHO CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001266808026 1177464357 /nfs/dbraw/zinc/46/43/57/1177464357.db2.gz XCHSIWDYICPNFO-PMACEKPBSA-N 1 3 341.499 2.207 10 30 EEEEHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266855998 1177582116 /nfs/dbraw/zinc/58/21/16/1177582116.db2.gz IUMABILXJORZTP-VQIMIIECSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266855998 1177582119 /nfs/dbraw/zinc/58/21/19/1177582119.db2.gz IUMABILXJORZTP-VQIMIIECSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001267093838 1178225988 /nfs/dbraw/zinc/22/59/88/1178225988.db2.gz PBHMBEKNOMONRQ-RBUKOAKNSA-N 1 3 327.472 2.402 10 30 EEEEHO C=C(C)CN[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001267361941 1178839277 /nfs/dbraw/zinc/83/92/77/1178839277.db2.gz LYULVAQXNGJEOY-OALUTQOASA-N 1 3 327.472 2.351 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001484356288 1191316548 /nfs/dbraw/zinc/31/65/48/1191316548.db2.gz BYMKXGXNWWGGST-AZUAARDMSA-N 1 3 341.499 2.205 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001273019245 1194326437 /nfs/dbraw/zinc/32/64/37/1194326437.db2.gz TYHBXOBYEMDAHR-CABCVRRESA-N 1 3 346.450 2.024 10 30 EEEEHO C[C@@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)c(F)c1 ZINC000925852526 1206160906 /nfs/dbraw/zinc/16/09/06/1206160906.db2.gz CLZVCTOMLQJMIS-DOMZBBRYSA-N 1 3 331.391 2.033 10 30 EEEEHO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278550773 1317216504 /nfs/dbraw/zinc/21/65/04/1317216504.db2.gz ZBQIUOOONIKKCY-QZTJIDSGSA-N 1 3 325.472 2.213 10 30 EEEEHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C(F)(F)F ZINC001278702630 1317794069 /nfs/dbraw/zinc/79/40/69/1317794069.db2.gz AUESPYUASVJFAO-ZIAGYGMSSA-N 1 3 335.414 2.131 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCN([C@H](C)CC)CC1 ZINC001262970680 1322410658 /nfs/dbraw/zinc/41/06/58/1322410658.db2.gz PLEMRSMANAXJFX-IAGOWNOFSA-N 1 3 346.523 2.194 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCN([C@H](C)CC)CC1 ZINC001262970680 1322410662 /nfs/dbraw/zinc/41/06/62/1322410662.db2.gz PLEMRSMANAXJFX-IAGOWNOFSA-N 1 3 346.523 2.194 10 30 EEEEHO C=CCOCCN1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001279653359 1323970506 /nfs/dbraw/zinc/97/05/06/1323970506.db2.gz AIOYLZABZNUMHK-IBGZPJMESA-N 1 3 349.519 2.200 10 30 EEEEHO C=CCOCCN1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001279653359 1323970511 /nfs/dbraw/zinc/97/05/11/1323970511.db2.gz AIOYLZABZNUMHK-IBGZPJMESA-N 1 3 349.519 2.200 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001316622497 1325802794 /nfs/dbraw/zinc/80/27/94/1325802794.db2.gz ASPXOZNNELMIGF-MAEOIBBWSA-N 1 3 333.520 2.252 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCC)C2CCCCC2)CC1 ZINC001319669319 1332738125 /nfs/dbraw/zinc/73/81/25/1332738125.db2.gz PSCZQIGDYSQZSJ-IBGZPJMESA-N 1 3 333.520 2.396 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320733732 1332942321 /nfs/dbraw/zinc/94/23/21/1332942321.db2.gz AQZCSCCCJKSLLM-KRWDZBQOSA-N 1 3 348.516 2.431 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001320733732 1332942322 /nfs/dbraw/zinc/94/23/22/1332942322.db2.gz AQZCSCCCJKSLLM-KRWDZBQOSA-N 1 3 348.516 2.431 10 30 EEEEHO C#C[C@@H]1CCCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000848277002 1338632102 /nfs/dbraw/zinc/63/21/02/1338632102.db2.gz LMDDSSKBPAXIQS-QGZVFWFLSA-N 1 3 331.504 2.055 10 30 EEEEHO C=CCN(C)CCN(CC)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001618813026 1352353678 /nfs/dbraw/zinc/35/36/78/1352353678.db2.gz BULCPZNZVIJYBS-QGZVFWFLSA-N 1 3 339.549 2.170 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001664392062 1355153123 /nfs/dbraw/zinc/15/31/23/1355153123.db2.gz WYLZZZKFPFYQQX-INIZCTEOSA-N 1 3 345.462 2.280 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H](C)CCNCc1cc(F)ccc1C#N)[NH+](C)C ZINC001699109341 1405265885 /nfs/dbraw/zinc/26/58/85/1405265885.db2.gz IHWOMDXPOZWRCV-KDOFPFPSSA-N 1 3 348.466 2.268 10 30 EEEEHO C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000820086845 785782319 /nfs/dbraw/zinc/78/23/19/785782319.db2.gz MCRVJLWOCYDIPZ-SFHVURJKSA-N 1 3 344.503 2.103 10 30 EEEEHO C#CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000820086845 785782326 /nfs/dbraw/zinc/78/23/26/785782326.db2.gz MCRVJLWOCYDIPZ-SFHVURJKSA-N 1 3 344.503 2.103 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)[C@H]1CC ZINC001566012486 1125499594 /nfs/dbraw/zinc/49/95/94/1125499594.db2.gz WMDXEPPARNBNDM-KSZLIROESA-N 1 3 337.508 2.031 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)[C@H]1CC ZINC001566012486 1125499596 /nfs/dbraw/zinc/49/95/96/1125499596.db2.gz WMDXEPPARNBNDM-KSZLIROESA-N 1 3 337.508 2.031 10 30 EEEEHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1)N(C)C ZINC001448512591 1093538744 /nfs/dbraw/zinc/53/87/44/1093538744.db2.gz AGNPHPAOFZYGJG-ZVZYQTTQSA-N 1 3 346.450 2.022 10 30 EEEEHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001449080298 1094093993 /nfs/dbraw/zinc/09/39/93/1094093993.db2.gz CIBBTWYBNUUPDK-GOSISDBHSA-N 1 3 342.487 2.227 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001441903441 1096067160 /nfs/dbraw/zinc/06/71/60/1096067160.db2.gz UESJFFAIJYXGHP-OALUTQOASA-N 1 3 342.487 2.273 10 30 EEEEHO CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CCCCN1CC ZINC001497500299 1102587629 /nfs/dbraw/zinc/58/76/29/1102587629.db2.gz FEOKJAYJTWKGQI-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO C[C@@H](NC(=O)C(C)(C)N1CCCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001447883352 1103511689 /nfs/dbraw/zinc/51/16/89/1103511689.db2.gz JZVMLHPKZLPPOT-HZPDHXFCSA-N 1 3 342.487 2.415 10 30 EEEEHO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](F)CN(CC)CC)C2)C1 ZINC001499570770 1112374826 /nfs/dbraw/zinc/37/48/26/1112374826.db2.gz UYQVZXXLPWJECR-MJGOQNOKSA-N 1 3 337.483 2.004 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](F)CN(CC)CC)C2)C1 ZINC001499570770 1112374829 /nfs/dbraw/zinc/37/48/29/1112374829.db2.gz UYQVZXXLPWJECR-MJGOQNOKSA-N 1 3 337.483 2.004 10 30 EEEEHO C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001506924083 1114976789 /nfs/dbraw/zinc/97/67/89/1114976789.db2.gz LOKPRPLWLAYZOJ-SFHVURJKSA-N 1 3 341.499 2.397 10 30 EEEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001507011417 1115052766 /nfs/dbraw/zinc/05/27/66/1115052766.db2.gz DDYZEGCTCHYQPB-HOTGVXAUSA-N 1 3 327.900 2.438 10 30 EEEEHO C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001507011417 1115052769 /nfs/dbraw/zinc/05/27/69/1115052769.db2.gz DDYZEGCTCHYQPB-HOTGVXAUSA-N 1 3 327.900 2.438 10 30 EEEEHO C#CCCN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001507372046 1115230493 /nfs/dbraw/zinc/23/04/93/1115230493.db2.gz DNRMQVHPUWCKNW-ROUUACIJSA-N 1 3 333.520 2.491 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568749050 1124763507 /nfs/dbraw/zinc/76/35/07/1124763507.db2.gz BSPLOLOEIVOFCQ-INIZCTEOSA-N 1 3 336.505 2.144 10 30 EEEEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459022466 285245620 /nfs/dbraw/zinc/24/56/20/285245620.db2.gz YJFBKJUNSDIMFL-OKZBNKHCSA-N 1 3 349.523 2.126 10 30 EEEEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459022466 285245625 /nfs/dbraw/zinc/24/56/25/285245625.db2.gz YJFBKJUNSDIMFL-OKZBNKHCSA-N 1 3 349.523 2.126 10 30 EEEEHO C=CCN1CCC(NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000557038211 468608973 /nfs/dbraw/zinc/60/89/73/468608973.db2.gz DXQUDZIRBHLIIA-UHFFFAOYSA-N 1 3 332.423 2.243 10 30 EEEEHO CN1CCC(Oc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600740194 468644326 /nfs/dbraw/zinc/64/43/26/468644326.db2.gz HDBYJMQGNVQCRX-QGZVFWFLSA-N 1 3 343.471 2.304 10 30 EEEEHO CC[NH+]1CCC(N2CCC(C(=O)NC3(C#N)CCCC3)CC2)CC1 ZINC000573739366 469195698 /nfs/dbraw/zinc/19/56/98/469195698.db2.gz KYOQANKBTNCVDS-UHFFFAOYSA-N 1 3 332.492 2.135 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(C#N)CCCCC1 ZINC000596688515 469334739 /nfs/dbraw/zinc/33/47/39/469334739.db2.gz DIYZFKFHPDKPRM-INIZCTEOSA-N 1 3 337.512 2.032 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(C#N)CCCCC1 ZINC000596688515 469334742 /nfs/dbraw/zinc/33/47/42/469334742.db2.gz DIYZFKFHPDKPRM-INIZCTEOSA-N 1 3 337.512 2.032 10 30 EEEEHO CCOCCCNC(=[NH2+])NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000162457607 682016238 /nfs/dbraw/zinc/01/62/38/682016238.db2.gz RAYWGZLDQNFSIY-LJQANCHMSA-N 1 3 332.492 2.372 10 30 EEEEHO CCOCCCNC(=[NH2+])NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000162457487 684649472 /nfs/dbraw/zinc/64/94/72/684649472.db2.gz RAYWGZLDQNFSIY-IBGZPJMESA-N 1 3 332.492 2.372 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2CC)CC1 ZINC001772517032 1176567095 /nfs/dbraw/zinc/56/70/95/1176567095.db2.gz GNIFDKYSRPMRAW-QGZVFWFLSA-N 1 3 341.499 2.189 10 30 EEEEHO C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267565146 1179371394 /nfs/dbraw/zinc/37/13/94/1179371394.db2.gz JOJFFSXVUJTGHN-QAPCUYQASA-N 1 3 325.472 2.213 10 30 EEEEHO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267565146 1179371404 /nfs/dbraw/zinc/37/14/04/1179371404.db2.gz JOJFFSXVUJTGHN-QAPCUYQASA-N 1 3 325.472 2.213 10 30 EEEEHO C#CCCN1CC[C@H](N(CC)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267791708 1180540654 /nfs/dbraw/zinc/54/06/54/1180540654.db2.gz WNLLXFHNDSZHLV-LPHOPBHVSA-N 1 3 337.483 2.145 10 30 EEEEHO C#CCCN1CC[C@H](N(CC)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267791708 1180540658 /nfs/dbraw/zinc/54/06/58/1180540658.db2.gz WNLLXFHNDSZHLV-LPHOPBHVSA-N 1 3 337.483 2.145 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]Cc2ccc(C)cc2)CC1 ZINC001481881394 1182865301 /nfs/dbraw/zinc/86/53/01/1182865301.db2.gz KCKVTBNBONYENS-FQEVSTJZSA-N 1 3 341.499 2.325 10 30 EEEEHO CC(C)[C@H](C(=O)NC/C=C\CNCc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001268589594 1183392243 /nfs/dbraw/zinc/39/22/43/1183392243.db2.gz WORNVMICERHUEN-OOFWQKGWSA-N 1 3 346.450 2.046 10 30 EEEEHO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001485828112 1193479551 /nfs/dbraw/zinc/47/95/51/1193479551.db2.gz UMGWDPMGMFRXEG-MAUKXSAKSA-N 1 3 325.472 2.212 10 30 EEEEHO C[C@H](CNCc1ccc(C#N)s1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483157158 1188964494 /nfs/dbraw/zinc/96/44/94/1188964494.db2.gz YYGDSSNCTJKYBM-CYBMUJFWSA-N 1 3 334.489 2.088 10 30 EEEEHO C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001483793300 1191032891 /nfs/dbraw/zinc/03/28/91/1191032891.db2.gz ANHTYDXJAKUZRW-HZPDHXFCSA-N 1 3 340.471 2.169 10 30 EEEEHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001410330401 1197713201 /nfs/dbraw/zinc/71/32/01/1197713201.db2.gz PSQFZVIDUOJJEU-QGZVFWFLSA-N 1 3 348.516 2.287 10 30 EEEEHO C=C(Cl)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001490302431 1291136977 /nfs/dbraw/zinc/13/69/77/1291136977.db2.gz ICHYTPVWJLGKCC-GJZGRUSLSA-N 1 3 325.884 2.194 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001278451925 1310326049 /nfs/dbraw/zinc/32/60/49/1310326049.db2.gz YYILEXIGMXFTTE-XLIONFOSSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001278451925 1310326059 /nfs/dbraw/zinc/32/60/59/1310326059.db2.gz YYILEXIGMXFTTE-XLIONFOSSA-N 1 3 331.504 2.267 10 30 EEEEHO C=CCCCNCc1nc2c(s1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001264189603 1322656138 /nfs/dbraw/zinc/65/61/38/1322656138.db2.gz CBRXSDNJYWMLGL-UHFFFAOYSA-N 1 3 336.505 2.035 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001265503567 1323186451 /nfs/dbraw/zinc/18/64/51/1323186451.db2.gz YSSPFXVUSFTOIH-WGSAOQKQSA-N 1 3 345.462 2.146 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001265503567 1323186457 /nfs/dbraw/zinc/18/64/57/1323186457.db2.gz YSSPFXVUSFTOIH-WGSAOQKQSA-N 1 3 345.462 2.146 10 30 EEEEHO CC[N@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1cccc(C#N)c1 ZINC001316892310 1331958104 /nfs/dbraw/zinc/95/81/04/1331958104.db2.gz FQQZCBUOYNWFDU-UHFFFAOYSA-N 1 3 342.487 2.371 10 30 EEEEHO CC[N@@H+](CCCNC(=O)C1(N(C)C)CCC1)Cc1cccc(C#N)c1 ZINC001316892310 1331958109 /nfs/dbraw/zinc/95/81/09/1331958109.db2.gz FQQZCBUOYNWFDU-UHFFFAOYSA-N 1 3 342.487 2.371 10 30 EEEEHO C=CCOCCN1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001318437634 1332533851 /nfs/dbraw/zinc/53/38/51/1332533851.db2.gz RWRWAFCBCBXLRE-IBGZPJMESA-N 1 3 345.487 2.097 10 30 EEEEHO C=CC[NH2+]C[C@](C)(NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001318712729 1332582284 /nfs/dbraw/zinc/58/22/84/1332582284.db2.gz IUWQPVPTABAUCR-ROUUACIJSA-N 1 3 325.472 2.259 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCC#Cc2ccccc2)CC[N@@H+]1C ZINC001331456188 1335016876 /nfs/dbraw/zinc/01/68/76/1335016876.db2.gz SJJMVWKPGRNNCF-YSIASYRMSA-N 1 3 341.499 2.205 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)NCC#Cc2ccccc2)CC[N@H+]1C ZINC001331456188 1335016879 /nfs/dbraw/zinc/01/68/79/1335016879.db2.gz SJJMVWKPGRNNCF-YSIASYRMSA-N 1 3 341.499 2.205 10 30 EEEEHO CC#CCN1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001661752505 1354689600 /nfs/dbraw/zinc/68/96/00/1354689600.db2.gz KREUQOJJVRXSPJ-OALUTQOASA-N 1 3 333.520 2.348 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001664008580 1355072596 /nfs/dbraw/zinc/07/25/96/1355072596.db2.gz IXGXLGNXSOLKKT-UHFFFAOYSA-N 1 3 346.500 2.044 10 30 EEEEHO CC#CCNC[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001671337286 1356329930 /nfs/dbraw/zinc/32/99/30/1356329930.db2.gz FLZFXSFEMAHSNN-RTBURBONSA-N 1 3 331.504 2.387 10 30 EEEEHO CC#CCNC[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001671337286 1356329933 /nfs/dbraw/zinc/32/99/33/1356329933.db2.gz FLZFXSFEMAHSNN-RTBURBONSA-N 1 3 331.504 2.387 10 30 EEEEHO C[C@H](CNCc1ccc(C#N)s1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001445400479 1091147603 /nfs/dbraw/zinc/14/76/03/1091147603.db2.gz ZVWYCRCOWHMWDB-CQSZACIVSA-N 1 3 346.500 2.090 10 30 EEEEHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)Cc1cccc(C#N)c1 ZINC001440956762 1094211578 /nfs/dbraw/zinc/21/15/78/1094211578.db2.gz FCJRWTZVXFFIDK-FCEWJHQRSA-N 1 3 342.487 2.225 10 30 EEEEHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)Cc1cccc(C#N)c1 ZINC001440956762 1094211579 /nfs/dbraw/zinc/21/15/79/1094211579.db2.gz FCJRWTZVXFFIDK-FCEWJHQRSA-N 1 3 342.487 2.225 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001441878031 1095999983 /nfs/dbraw/zinc/99/99/83/1095999983.db2.gz RONWNSHMKUYVCN-UYAOXDASSA-N 1 3 340.471 2.123 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC(C)(C)C)C2)CC1 ZINC001479972484 1099420284 /nfs/dbraw/zinc/42/02/84/1099420284.db2.gz UOBPRCDDSSFWCT-GOSISDBHSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001479972484 1099420286 /nfs/dbraw/zinc/42/02/86/1099420286.db2.gz UOBPRCDDSSFWCT-GOSISDBHSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC(=C)C)CC1 ZINC001498502076 1107644349 /nfs/dbraw/zinc/64/43/49/1107644349.db2.gz FJKQZVVLIZADIU-OALUTQOASA-N 1 3 331.504 2.172 10 30 EEEEHO CN(CCCNCc1ccccc1C#N)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001498560394 1107722509 /nfs/dbraw/zinc/72/25/09/1107722509.db2.gz QLBLFMLXWVWJAE-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO CN(CCCNCc1ccccc1C#N)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001498560394 1107722524 /nfs/dbraw/zinc/72/25/24/1107722524.db2.gz QLBLFMLXWVWJAE-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)CN1CC[C@H](C)C1 ZINC001506938240 1114987774 /nfs/dbraw/zinc/98/77/74/1114987774.db2.gz NXVDMPLGIDNUHV-RBUKOAKNSA-N 1 3 341.499 2.254 10 30 EEEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CCC(=C)C)CCCC2)CC1 ZINC001568011163 1124229298 /nfs/dbraw/zinc/22/92/98/1124229298.db2.gz DBDLPXHBCTZOSZ-UHFFFAOYSA-N 1 3 331.504 2.316 10 30 EEEEHO C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001267093839 1178225870 /nfs/dbraw/zinc/22/58/70/1178225870.db2.gz PBHMBEKNOMONRQ-RTBURBONSA-N 1 3 327.472 2.402 10 30 EEEEHO C=CC[NH2+]CCc1ccc(CNC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC001267098097 1178234904 /nfs/dbraw/zinc/23/49/04/1178234904.db2.gz DOTJTXGYRQSSJG-IAGOWNOFSA-N 1 3 329.488 2.494 10 30 EEEEHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001268798012 1183714338 /nfs/dbraw/zinc/71/43/38/1183714338.db2.gz AMUSFNKGGPPEJM-IBGZPJMESA-N 1 3 347.478 2.202 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001271021418 1185821197 /nfs/dbraw/zinc/82/11/97/1185821197.db2.gz MLMDYPORZYTEMV-GOSISDBHSA-N 1 3 339.483 2.103 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC/C=C/CC)C2)CC1 ZINC001691541498 1187945342 /nfs/dbraw/zinc/94/53/42/1187945342.db2.gz YTYCDYALGMDLIM-ZQZRUVGRSA-N 1 3 331.504 2.172 10 30 EEEEHO C=C(Br)CNCCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001733147036 1190734488 /nfs/dbraw/zinc/73/44/88/1190734488.db2.gz XSINJCFNANTHMU-UHFFFAOYSA-N 1 3 346.313 2.209 10 30 EEEEHO C#CC[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000886355872 1202496119 /nfs/dbraw/zinc/49/61/19/1202496119.db2.gz OWHXNJYNVFKGAU-IBGZPJMESA-N 1 3 339.483 2.244 10 30 EEEEHO C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001275175133 1205275180 /nfs/dbraw/zinc/27/51/80/1205275180.db2.gz GDFPEVJJGAMFBH-LJQANCHMSA-N 1 3 327.472 2.308 10 30 EEEEHO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001275175133 1205275181 /nfs/dbraw/zinc/27/51/81/1205275181.db2.gz GDFPEVJJGAMFBH-LJQANCHMSA-N 1 3 327.472 2.308 10 30 EEEEHO C[C@@H](NCC#Cc1ccc(Cl)cc1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001275479935 1205378559 /nfs/dbraw/zinc/37/85/59/1205378559.db2.gz DONLAYPRUSGINX-CABCVRRESA-N 1 3 335.879 2.126 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000900158555 1234054487 /nfs/dbraw/zinc/05/44/87/1234054487.db2.gz QONDNHKLBSQUAG-IBGZPJMESA-N 1 3 329.488 2.447 10 30 EEEEHO CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001280198176 1324110773 /nfs/dbraw/zinc/11/07/73/1324110773.db2.gz OFTDBXXJTXOWML-LPHOPBHVSA-N 1 3 337.483 2.050 10 30 EEEEHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1)N(C)C ZINC001317079197 1332071978 /nfs/dbraw/zinc/07/19/78/1332071978.db2.gz GHIWFVVRUHRBQJ-KZNAEPCWSA-N 1 3 347.890 2.269 10 30 EEEEHO CCCN(C)CC(=O)N1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001317161384 1332106194 /nfs/dbraw/zinc/10/61/94/1332106194.db2.gz HNPTVFCJWRHRJJ-FQEVSTJZSA-N 1 3 341.499 2.208 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001318805943 1332601765 /nfs/dbraw/zinc/60/17/65/1332601765.db2.gz TYFRRHCDSBJBDC-DOTOQJQBSA-N 1 3 339.911 2.299 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001323114342 1333388477 /nfs/dbraw/zinc/38/84/77/1333388477.db2.gz QQHFPVFVBXWACY-FQEVSTJZSA-N 1 3 343.515 2.316 10 30 EEEEHO C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCCN1CC ZINC001325707942 1333944785 /nfs/dbraw/zinc/94/47/85/1333944785.db2.gz HMZIAIQRVYOXKD-LJQANCHMSA-N 1 3 327.472 2.112 10 30 EEEEHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001327082930 1334218683 /nfs/dbraw/zinc/21/86/83/1334218683.db2.gz YDYZYAPKCMSPBV-LJQANCHMSA-N 1 3 345.487 2.145 10 30 EEEEHO C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cccc(CN(C)C)c1 ZINC001331362685 1335002490 /nfs/dbraw/zinc/00/24/90/1335002490.db2.gz URCCJBSSHKJDKL-IBGZPJMESA-N 1 3 327.472 2.212 10 30 EEEEHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001565854941 1342570153 /nfs/dbraw/zinc/57/01/53/1342570153.db2.gz WQTMHHANGGVBDM-IZAXUBKRSA-N 1 3 345.462 2.003 10 30 EEEEHO C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCO1 ZINC001570973079 1343144544 /nfs/dbraw/zinc/14/45/44/1343144544.db2.gz KQVGQTXFYXIJRL-SJORKVTESA-N 1 3 337.508 2.033 10 30 EEEEHO CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]21 ZINC001676845667 1357218897 /nfs/dbraw/zinc/21/88/97/1357218897.db2.gz MBHZRIHKKPTKDH-RCCFBDPRSA-N 1 3 333.520 2.204 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCCC[C@H]2C[NH2+]C/C=C/Cl)CC1 ZINC001661972084 1354730487 /nfs/dbraw/zinc/73/04/87/1354730487.db2.gz NVYAMGKGMZVXDV-MPNRVQBSSA-N 1 3 337.895 2.055 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)CC2CC3(CCC3)C2)CC1 ZINC001663461248 1354965076 /nfs/dbraw/zinc/96/50/76/1354965076.db2.gz IECNIZGFLCVCFW-UHFFFAOYSA-N 1 3 345.531 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)CC2CC3(CCC3)C2)CC1 ZINC001663461248 1354965078 /nfs/dbraw/zinc/96/50/78/1354965078.db2.gz IECNIZGFLCVCFW-UHFFFAOYSA-N 1 3 345.531 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C)CC1 ZINC001666672354 1355563610 /nfs/dbraw/zinc/56/36/10/1355563610.db2.gz FAARZIIEGQDWLK-QGZVFWFLSA-N 1 3 335.536 2.500 10 30 EEEEHO C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCN2CCC)CCOCC1 ZINC001671934883 1356441224 /nfs/dbraw/zinc/44/12/24/1356441224.db2.gz MINOXJYKYLZWPX-QGZVFWFLSA-N 1 3 337.508 2.082 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001699106929 1405262531 /nfs/dbraw/zinc/26/25/31/1405262531.db2.gz HQZVHBAXTRWORI-QFBILLFUSA-N 1 3 342.487 2.417 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001699106929 1405262537 /nfs/dbraw/zinc/26/25/37/1405262537.db2.gz HQZVHBAXTRWORI-QFBILLFUSA-N 1 3 342.487 2.417 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@H]([NH2+]Cc3ccsc3)[C@@H](C)C2)CC1 ZINC000939810782 777427534 /nfs/dbraw/zinc/42/75/34/777427534.db2.gz PGGLENLRYXGFLD-YJBOKZPZSA-N 1 3 345.512 2.030 10 30 EEEEHO C#CCN(C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)C1CCN(C)CC1 ZINC000922662623 801601349 /nfs/dbraw/zinc/60/13/49/801601349.db2.gz NONPPELCYHRTHX-SFHVURJKSA-N 1 3 348.535 2.236 10 30 EEEEHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001440764623 1094004906 /nfs/dbraw/zinc/00/49/06/1094004906.db2.gz WYOQEUUIWPYNDD-UHFFFAOYSA-N 1 3 346.450 2.022 10 30 EEEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001444073128 1098598445 /nfs/dbraw/zinc/59/84/45/1098598445.db2.gz MMLLREVIYHRMFS-GJZGRUSLSA-N 1 3 327.900 2.488 10 30 EEEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001444073128 1098598453 /nfs/dbraw/zinc/59/84/53/1098598453.db2.gz MMLLREVIYHRMFS-GJZGRUSLSA-N 1 3 327.900 2.488 10 30 EEEEHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccc(C#N)s1 ZINC001480481007 1100289152 /nfs/dbraw/zinc/28/91/52/1100289152.db2.gz UZGLLXKUPSNZIN-KGLIPLIRSA-N 1 3 334.489 2.088 10 30 EEEEHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccc(C#N)s1 ZINC001480481007 1100289158 /nfs/dbraw/zinc/28/91/58/1100289158.db2.gz UZGLLXKUPSNZIN-KGLIPLIRSA-N 1 3 334.489 2.088 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC/C=C\CCC)C2)CC1 ZINC001494792132 1104374234 /nfs/dbraw/zinc/37/42/34/1104374234.db2.gz IIWSABICPLADLH-LIXSYLKWSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC/C=C\CCC)C2)CC1 ZINC001494792132 1104374245 /nfs/dbraw/zinc/37/42/45/1104374245.db2.gz IIWSABICPLADLH-LIXSYLKWSA-N 1 3 331.504 2.269 10 30 EEEEHO CCN1CC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278616401 463973210 /nfs/dbraw/zinc/97/32/10/463973210.db2.gz JFJHDQBOCSCOMU-INIZCTEOSA-N 1 3 338.459 2.290 10 30 EEEEHO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000660575912 471400558 /nfs/dbraw/zinc/40/05/58/471400558.db2.gz YBNGTHDRKYTSKR-KDURUIRLSA-N 1 3 346.519 2.438 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CC2CC(C)(C)C2)C2CC2)CC1 ZINC001266444768 1176543740 /nfs/dbraw/zinc/54/37/40/1176543740.db2.gz DSIVDWXLGTYQQA-IBGZPJMESA-N 1 3 345.531 2.252 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001266550856 1176818458 /nfs/dbraw/zinc/81/84/58/1176818458.db2.gz FKEIAEYERMMSLL-QWNKOJSDSA-N 1 3 331.504 2.126 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001266550856 1176818469 /nfs/dbraw/zinc/81/84/69/1176818469.db2.gz FKEIAEYERMMSLL-QWNKOJSDSA-N 1 3 331.504 2.126 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266949443 1177874415 /nfs/dbraw/zinc/87/44/15/1177874415.db2.gz OTFVNEZNGOKBTF-UYAOXDASSA-N 1 3 341.499 2.253 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266949443 1177874422 /nfs/dbraw/zinc/87/44/22/1177874422.db2.gz OTFVNEZNGOKBTF-UYAOXDASSA-N 1 3 341.499 2.253 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)Cc2c(C)cccc2C)CC1 ZINC001480951165 1179115917 /nfs/dbraw/zinc/11/59/17/1179115917.db2.gz QBNYHDVFXMEHTP-UHFFFAOYSA-N 1 3 341.499 2.197 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)Cc2c(C)cccc2C)CC1 ZINC001480951165 1179115922 /nfs/dbraw/zinc/11/59/22/1179115922.db2.gz QBNYHDVFXMEHTP-UHFFFAOYSA-N 1 3 341.499 2.197 10 30 EEEEHO CC#CC[N@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001481354526 1181106316 /nfs/dbraw/zinc/10/63/16/1181106316.db2.gz ILYVNAVAKWHFML-LJQANCHMSA-N 1 3 339.499 2.439 10 30 EEEEHO CC#CC[N@@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001481354526 1181106319 /nfs/dbraw/zinc/10/63/19/1181106319.db2.gz ILYVNAVAKWHFML-LJQANCHMSA-N 1 3 339.499 2.439 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1ccc(C#N)s1 ZINC001268542092 1183213625 /nfs/dbraw/zinc/21/36/25/1183213625.db2.gz OSWJHPCHILGYID-IDOMTICXSA-N 1 3 346.500 2.255 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1ccc(C#N)s1 ZINC001268542092 1183213631 /nfs/dbraw/zinc/21/36/31/1183213631.db2.gz OSWJHPCHILGYID-IDOMTICXSA-N 1 3 346.500 2.255 10 30 EEEEHO N#Cc1ccc(CNC/C=C\CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001268630756 1183553223 /nfs/dbraw/zinc/55/32/23/1183553223.db2.gz PLUZSMPVGUYPKY-IHWYPQMZSA-N 1 3 340.471 2.196 10 30 EEEEHO C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@H](C)C1 ZINC001269575200 1184404584 /nfs/dbraw/zinc/40/45/84/1184404584.db2.gz RNZLZYJXASNCAL-QBUWPKIASA-N 1 3 349.519 2.033 10 30 EEEEHO C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001271102084 1185887250 /nfs/dbraw/zinc/88/72/50/1185887250.db2.gz XELKZMUIRSSLER-LSDHHAIUSA-N 1 3 331.451 2.366 10 30 EEEEHO C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001271102084 1185887257 /nfs/dbraw/zinc/88/72/57/1185887257.db2.gz XELKZMUIRSSLER-LSDHHAIUSA-N 1 3 331.451 2.366 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001482649296 1187479780 /nfs/dbraw/zinc/47/97/80/1187479780.db2.gz CEECXKKQAWIXPT-GOSISDBHSA-N 1 3 341.499 2.483 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001482649296 1187479781 /nfs/dbraw/zinc/47/97/81/1187479781.db2.gz CEECXKKQAWIXPT-GOSISDBHSA-N 1 3 341.499 2.483 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)C1(N(C)C)CCC1 ZINC001272828884 1193567008 /nfs/dbraw/zinc/56/70/08/1193567008.db2.gz FFVVHQBVNOYXIM-AWEZNQCLSA-N 1 3 346.450 2.166 10 30 EEEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000876898235 1199811497 /nfs/dbraw/zinc/81/14/97/1199811497.db2.gz PWOFRVOKBGLXMJ-CJNGLKHVSA-N 1 3 336.867 2.193 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1 ZINC001274609035 1205095467 /nfs/dbraw/zinc/09/54/67/1205095467.db2.gz HUOJNGLHFUXAOX-PHWHVTFISA-N 1 3 340.471 2.195 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]CCC2CCCC2)CC1 ZINC001274610701 1205097214 /nfs/dbraw/zinc/09/72/14/1205097214.db2.gz PVFNQBZFXWXRCU-AATRIKPKSA-N 1 3 331.504 2.174 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 ZINC000900286325 1234159559 /nfs/dbraw/zinc/15/95/59/1234159559.db2.gz HFYBXOTUFGNGKD-UHFFFAOYSA-N 1 3 345.487 2.284 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CC[N@@H+]1C ZINC001491018791 1258574585 /nfs/dbraw/zinc/57/45/85/1258574585.db2.gz QPSXKHJNQKCZHU-ZGXWSNOMSA-N 1 3 339.483 2.005 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](NCC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001491018791 1258574587 /nfs/dbraw/zinc/57/45/87/1258574587.db2.gz QPSXKHJNQKCZHU-ZGXWSNOMSA-N 1 3 339.483 2.005 10 30 EEEEHO C=CCOCCN1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001491214392 1258779821 /nfs/dbraw/zinc/77/98/21/1258779821.db2.gz PUHIKTQOCKUMHJ-GOSISDBHSA-N 1 3 349.519 2.036 10 30 EEEEHO C=C(Cl)CNCCc1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001266087868 1323645986 /nfs/dbraw/zinc/64/59/86/1323645986.db2.gz FKMUHGZCZNGXOV-UHFFFAOYSA-N 1 3 347.890 2.283 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+]([C@H](C)CCC=C)C2)CC1 ZINC001282740973 1325776998 /nfs/dbraw/zinc/77/69/98/1325776998.db2.gz PTCZSLVQBROKFM-IAGOWNOFSA-N 1 3 331.504 2.123 10 30 EEEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001324420633 1333679663 /nfs/dbraw/zinc/67/96/63/1333679663.db2.gz WXYZKPDQYPDRDG-RDJZCZTQSA-N 1 3 325.472 2.001 10 30 EEEEHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](C)CC#Cc2ccccc2)CC1 ZINC001331043362 1334952136 /nfs/dbraw/zinc/95/21/36/1334952136.db2.gz BSKFVHPKQYRGCL-HXUWFJFHSA-N 1 3 339.483 2.055 10 30 EEEEHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC#Cc2ccccc2)CC1 ZINC001331043362 1334952139 /nfs/dbraw/zinc/95/21/39/1334952139.db2.gz BSKFVHPKQYRGCL-HXUWFJFHSA-N 1 3 339.483 2.055 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001339719718 1337060092 /nfs/dbraw/zinc/06/00/92/1337060092.db2.gz MLWDIXIBWVMQMU-IAGOWNOFSA-N 1 3 346.523 2.050 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001339719718 1337060095 /nfs/dbraw/zinc/06/00/95/1337060095.db2.gz MLWDIXIBWVMQMU-IAGOWNOFSA-N 1 3 346.523 2.050 10 30 EEEEHO C#CC[NH2+]CCc1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC001567183753 1342706729 /nfs/dbraw/zinc/70/67/29/1342706729.db2.gz NOWQZRNGQMZPJH-UHFFFAOYSA-N 1 3 329.488 2.046 10 30 EEEEHO C#CCN1CCC(C2(NC(=O)C3(C[NH+](C)C)CCCCC3)CC2)CC1 ZINC001677463103 1357335903 /nfs/dbraw/zinc/33/59/03/1357335903.db2.gz QVRJWCNXKQEZAF-UHFFFAOYSA-N 1 3 345.531 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC001669483000 1356165453 /nfs/dbraw/zinc/16/54/53/1356165453.db2.gz UVSZPSSMLAUAJM-OAHLLOKOSA-N 1 3 347.890 2.280 10 30 EEEEHO C#CCC[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001566596320 1125787022 /nfs/dbraw/zinc/78/70/22/1125787022.db2.gz CSVDWBFNNKKVOO-IBGZPJMESA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCC[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001566596320 1125787028 /nfs/dbraw/zinc/78/70/28/1125787028.db2.gz CSVDWBFNNKKVOO-IBGZPJMESA-N 1 3 337.483 2.193 10 30 EEEEHO CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCN1Cc1cccc(C#N)c1 ZINC001479640674 1098670611 /nfs/dbraw/zinc/67/06/11/1098670611.db2.gz VAXLZVDYSNZOKK-RBUKOAKNSA-N 1 3 342.487 2.369 10 30 EEEEHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001444326533 1098887865 /nfs/dbraw/zinc/88/78/65/1098887865.db2.gz PNTUHFQKVMNALX-AWEZNQCLSA-N 1 3 346.450 2.024 10 30 EEEEHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccc(C#N)s1 ZINC001480481009 1100289294 /nfs/dbraw/zinc/28/92/94/1100289294.db2.gz UZGLLXKUPSNZIN-UONOGXRCSA-N 1 3 334.489 2.088 10 30 EEEEHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccc(C#N)s1 ZINC001480481009 1100289297 /nfs/dbraw/zinc/28/92/97/1100289297.db2.gz UZGLLXKUPSNZIN-UONOGXRCSA-N 1 3 334.489 2.088 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCC=C)C2)CC1 ZINC001480709879 1106932283 /nfs/dbraw/zinc/93/22/83/1106932283.db2.gz MUORRGFECTVZHE-RTBURBONSA-N 1 3 331.504 2.315 10 30 EEEEHO C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001499530544 1112346647 /nfs/dbraw/zinc/34/66/47/1112346647.db2.gz SOSMXXCZRGLPDY-IBGZPJMESA-N 1 3 331.504 2.197 10 30 EEEEHO C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001499530544 1112346652 /nfs/dbraw/zinc/34/66/52/1112346652.db2.gz SOSMXXCZRGLPDY-IBGZPJMESA-N 1 3 331.504 2.197 10 30 EEEEHO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001501235027 1113255339 /nfs/dbraw/zinc/25/53/39/1113255339.db2.gz BEEAHBZLPHPAHO-GBESFXJTSA-N 1 3 333.520 2.463 10 30 EEEEHO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C1 ZINC001501235027 1113255343 /nfs/dbraw/zinc/25/53/43/1113255343.db2.gz BEEAHBZLPHPAHO-GBESFXJTSA-N 1 3 333.520 2.463 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001501651407 1113416170 /nfs/dbraw/zinc/41/61/70/1113416170.db2.gz OOWCTFRQBVBYQV-IBGZPJMESA-N 1 3 342.487 2.227 10 30 EEEEHO C=C(Cl)CNCC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001506506573 1114658608 /nfs/dbraw/zinc/65/86/08/1114658608.db2.gz YXKYJWHDGFQYNC-MRXNPFEDSA-N 1 3 339.911 2.489 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)CCCC2CCC2)CC1 ZINC001569152518 1125131199 /nfs/dbraw/zinc/13/11/99/1125131199.db2.gz CLKXUIGKLGEJOH-QGZVFWFLSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCCC2CCC2)CC1 ZINC001569152518 1125131203 /nfs/dbraw/zinc/13/12/03/1125131203.db2.gz CLKXUIGKLGEJOH-QGZVFWFLSA-N 1 3 333.520 2.348 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001569237207 1125185002 /nfs/dbraw/zinc/18/50/02/1125185002.db2.gz AMUSFNKGGPPEJM-LJQANCHMSA-N 1 3 347.478 2.202 10 30 EEEEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459022463 285278723 /nfs/dbraw/zinc/27/87/23/285278723.db2.gz YJFBKJUNSDIMFL-BZSNNMDCSA-N 1 3 349.523 2.126 10 30 EEEEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459022463 285278725 /nfs/dbraw/zinc/27/87/25/285278725.db2.gz YJFBKJUNSDIMFL-BZSNNMDCSA-N 1 3 349.523 2.126 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C(C)C ZINC000417058330 466767731 /nfs/dbraw/zinc/76/77/31/466767731.db2.gz FJRLHUQHDCGTNB-QZTJIDSGSA-N 1 3 334.508 2.221 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000594441209 468589115 /nfs/dbraw/zinc/58/91/15/468589115.db2.gz OUJPYJMHVLKWDQ-SFHVURJKSA-N 1 3 328.460 2.310 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594441085 468589623 /nfs/dbraw/zinc/58/96/23/468589623.db2.gz MMDSUNHUAZVVTO-MOPGFXCFSA-N 1 3 342.487 2.426 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594441085 468589627 /nfs/dbraw/zinc/58/96/27/468589627.db2.gz MMDSUNHUAZVVTO-MOPGFXCFSA-N 1 3 342.487 2.426 10 30 EEEEHO C=CCN1CCC(NC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000171715687 526449042 /nfs/dbraw/zinc/44/90/42/526449042.db2.gz HDFOUDMTJIEKFM-UHFFFAOYSA-N 1 3 331.460 2.007 10 30 EEEEHO C#CCN(C(=O)NCCCCCCC[NH+](C)C)C1CCN(C)CC1 ZINC000914401056 683560502 /nfs/dbraw/zinc/56/05/02/683560502.db2.gz AGTIIHLOYSTJEQ-UHFFFAOYSA-N 1 3 336.524 2.238 10 30 EEEEHO C#CCN1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001485582881 1191848813 /nfs/dbraw/zinc/84/88/13/1191848813.db2.gz VMQJWOYCAXBXOD-MSOLQXFVSA-N 1 3 327.472 2.139 10 30 EEEEHO C#CCN1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001485582881 1191848815 /nfs/dbraw/zinc/84/88/15/1191848815.db2.gz VMQJWOYCAXBXOD-MSOLQXFVSA-N 1 3 327.472 2.139 10 30 EEEEHO C[C@@H](CCCNCc1cc(C#N)ccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485748160 1191930367 /nfs/dbraw/zinc/93/03/67/1191930367.db2.gz KVXYWXDMSCCSGC-HOCLYGCPSA-N 1 3 346.450 2.024 10 30 EEEEHO C[C@@H](CCCNCc1cc(C#N)ccc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485748160 1191930369 /nfs/dbraw/zinc/93/03/69/1191930369.db2.gz KVXYWXDMSCCSGC-HOCLYGCPSA-N 1 3 346.450 2.024 10 30 EEEEHO C[N@H+](CC#Cc1ccccc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001485766785 1191941140 /nfs/dbraw/zinc/94/11/40/1191941140.db2.gz KDHLRRBLNOKCTA-UHFFFAOYSA-N 1 3 339.483 2.057 10 30 EEEEHO C[N@@H+](CC#Cc1ccccc1)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001485766785 1191941143 /nfs/dbraw/zinc/94/11/43/1191941143.db2.gz KDHLRRBLNOKCTA-UHFFFAOYSA-N 1 3 339.483 2.057 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCCCCC)CC1 ZINC001266495577 1176637760 /nfs/dbraw/zinc/63/77/60/1176637760.db2.gz PGBMBQCKXWFEOT-LJQANCHMSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCCCC)CC1 ZINC001266495577 1176637765 /nfs/dbraw/zinc/63/77/65/1176637765.db2.gz PGBMBQCKXWFEOT-LJQANCHMSA-N 1 3 333.520 2.493 10 30 EEEEHO CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001266878903 1177691305 /nfs/dbraw/zinc/69/13/05/1177691305.db2.gz MMDVAXXZNOCYBE-VQIMIIECSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCCN1CC[C@@H](N(CC)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267791716 1180540401 /nfs/dbraw/zinc/54/04/01/1180540401.db2.gz WNLLXFHNDSZHLV-VQIMIIECSA-N 1 3 337.483 2.145 10 30 EEEEHO C#CCCN1CC[C@@H](N(CC)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267791716 1180540410 /nfs/dbraw/zinc/54/04/10/1180540410.db2.gz WNLLXFHNDSZHLV-VQIMIIECSA-N 1 3 337.483 2.145 10 30 EEEEHO C#CCN1CCC(C(=O)N(CC)CC[NH2+]Cc2cccc(C)c2)CC1 ZINC001268499651 1183027625 /nfs/dbraw/zinc/02/76/25/1183027625.db2.gz NUGJSVLVIREWKA-UHFFFAOYSA-N 1 3 341.499 2.278 10 30 EEEEHO C=CCCCCCN1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001482194947 1183734176 /nfs/dbraw/zinc/73/41/76/1183734176.db2.gz IVFRGWLHNGTSOY-MSOLQXFVSA-N 1 3 337.508 2.034 10 30 EEEEHO C=CCCCCCN1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001482194947 1183734180 /nfs/dbraw/zinc/73/41/80/1183734180.db2.gz IVFRGWLHNGTSOY-MSOLQXFVSA-N 1 3 337.508 2.034 10 30 EEEEHO C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)CN(CC)CC ZINC001269592935 1184416686 /nfs/dbraw/zinc/41/66/86/1184416686.db2.gz IEXLZMCERAFLOX-IKGGRYGDSA-N 1 3 325.472 2.308 10 30 EEEEHO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)CN(CC)CC ZINC001269592935 1184416689 /nfs/dbraw/zinc/41/66/89/1184416689.db2.gz IEXLZMCERAFLOX-IKGGRYGDSA-N 1 3 325.472 2.308 10 30 EEEEHO CC[N@H+](C)CCC(=O)N[C@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001269645174 1184466682 /nfs/dbraw/zinc/46/66/82/1184466682.db2.gz LYUVSRIRXDNJAP-OAQYLSRUSA-N 1 3 341.499 2.254 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N[C@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001269645174 1184466686 /nfs/dbraw/zinc/46/66/86/1184466686.db2.gz LYUVSRIRXDNJAP-OAQYLSRUSA-N 1 3 341.499 2.254 10 30 EEEEHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001691506420 1184866983 /nfs/dbraw/zinc/86/69/83/1184866983.db2.gz PVSGHHNVZZOWQK-UFYCRDLUSA-N 1 3 341.499 2.109 10 30 EEEEHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C ZINC001270517374 1185142938 /nfs/dbraw/zinc/14/29/38/1185142938.db2.gz OZUSRWAXAZXRAF-YJBOKZPZSA-N 1 3 349.906 2.374 10 30 EEEEHO CC(C)C[C@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482397632 1185606990 /nfs/dbraw/zinc/60/69/90/1185606990.db2.gz BVSVYYINRALYLA-WOJBJXKFSA-N 1 3 341.499 2.110 10 30 EEEEHO CC(C)C[C@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482397632 1185606993 /nfs/dbraw/zinc/60/69/93/1185606993.db2.gz BVSVYYINRALYLA-WOJBJXKFSA-N 1 3 341.499 2.110 10 30 EEEEHO C#CCC[N@@H+](C)CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001271790809 1186488440 /nfs/dbraw/zinc/48/84/40/1186488440.db2.gz RCUWWZMJTZCHKD-UHFFFAOYSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCC[N@H+](C)CCC1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001271790809 1186488444 /nfs/dbraw/zinc/48/84/44/1186488444.db2.gz RCUWWZMJTZCHKD-UHFFFAOYSA-N 1 3 333.520 2.302 10 30 EEEEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001272865800 1193583232 /nfs/dbraw/zinc/58/32/32/1193583232.db2.gz NRGHJBNNUPIDEQ-SUMWQHHRSA-N 1 3 334.439 2.022 10 30 EEEEHO CC[C@H](C(=O)N(C)CCC[NH2+]CC#Cc1cccc(Cl)c1)N(C)C ZINC001276071275 1205760447 /nfs/dbraw/zinc/76/04/47/1205760447.db2.gz QGBPOYJWCQRCGF-GOSISDBHSA-N 1 3 349.906 2.470 10 30 EEEEHO C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001276799117 1297873940 /nfs/dbraw/zinc/87/39/40/1297873940.db2.gz HMWJDZGVWOFOHK-IRXDYDNUSA-N 1 3 339.524 2.136 10 30 EEEEHO C=CCOCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001265283531 1323034402 /nfs/dbraw/zinc/03/44/02/1323034402.db2.gz GAXKJFLIBZZVGO-ROUUACIJSA-N 1 3 349.519 2.034 10 30 EEEEHO C=CCOCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001265283531 1323034411 /nfs/dbraw/zinc/03/44/11/1323034411.db2.gz GAXKJFLIBZZVGO-ROUUACIJSA-N 1 3 349.519 2.034 10 30 EEEEHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001317111708 1332084087 /nfs/dbraw/zinc/08/40/87/1332084087.db2.gz MXWGWOFWYMOUGI-ZCNNSNEGSA-N 1 3 339.483 2.149 10 30 EEEEHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001317111708 1332084090 /nfs/dbraw/zinc/08/40/90/1332084090.db2.gz MXWGWOFWYMOUGI-ZCNNSNEGSA-N 1 3 339.483 2.149 10 30 EEEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001324426133 1333680318 /nfs/dbraw/zinc/68/03/18/1333680318.db2.gz FPWSMMWBLCYJHG-UHFFFAOYSA-N 1 3 342.487 2.459 10 30 EEEEHO C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001325055831 1333820726 /nfs/dbraw/zinc/82/07/26/1333820726.db2.gz WJTUJZCOJCPIDN-OAHLLOKOSA-N 1 3 331.451 2.366 10 30 EEEEHO C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001325055831 1333820723 /nfs/dbraw/zinc/82/07/23/1333820723.db2.gz WJTUJZCOJCPIDN-OAHLLOKOSA-N 1 3 331.451 2.366 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]C/C=C\Cl)CC(C)C)CC1 ZINC001667118396 1355651648 /nfs/dbraw/zinc/65/16/48/1355651648.db2.gz RAGMPCHQXHUEPK-AFCDSYGPSA-N 1 3 339.911 2.205 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@H](C)CC(C)C)C2)CC1 ZINC001506678556 1342311173 /nfs/dbraw/zinc/31/11/73/1342311173.db2.gz JPTOGBQZJCYFEW-MSOLQXFVSA-N 1 3 347.547 2.450 10 30 EEEEHO CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1CCCCN1C ZINC001568767094 1342850737 /nfs/dbraw/zinc/85/07/37/1342850737.db2.gz UYMSHVAHJQJVKG-INIZCTEOSA-N 1 3 334.489 2.042 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001570219866 1343034827 /nfs/dbraw/zinc/03/48/27/1343034827.db2.gz IGALVEBRLDZRTN-RTBURBONSA-N 1 3 333.520 2.301 10 30 EEEEHO CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001570219866 1343034831 /nfs/dbraw/zinc/03/48/31/1343034831.db2.gz IGALVEBRLDZRTN-RTBURBONSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(CC)c2)CC1 ZINC001662423315 1354794343 /nfs/dbraw/zinc/79/43/43/1354794343.db2.gz BMIFEFPHLBPFOU-QGZVFWFLSA-N 1 3 341.499 2.189 10 30 EEEEHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccc(C#N)s1 ZINC001438310190 1090787710 /nfs/dbraw/zinc/78/77/10/1090787710.db2.gz JELNBVGICPDOEA-HUUCEWRRSA-N 1 3 348.516 2.479 10 30 EEEEHO CC[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccc(C#N)s1 ZINC001438310190 1090787713 /nfs/dbraw/zinc/78/77/13/1090787713.db2.gz JELNBVGICPDOEA-HUUCEWRRSA-N 1 3 348.516 2.479 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccsc2)CC1 ZINC001496239273 1100806696 /nfs/dbraw/zinc/80/66/96/1100806696.db2.gz QSPOKOOHDGHFLL-OAHLLOKOSA-N 1 3 333.501 2.030 10 30 EEEEHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC#Cc1ccccc1 ZINC001495047533 1104685578 /nfs/dbraw/zinc/68/55/78/1104685578.db2.gz VPPNRZHMRPOXOP-IHPCNDPISA-N 1 3 341.499 2.253 10 30 EEEEHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC#Cc1ccccc1 ZINC001495047533 1104685581 /nfs/dbraw/zinc/68/55/81/1104685581.db2.gz VPPNRZHMRPOXOP-IHPCNDPISA-N 1 3 341.499 2.253 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)CCC=C)CC1 ZINC001493160623 1107615485 /nfs/dbraw/zinc/61/54/85/1107615485.db2.gz IUMZSSPSTWWCJM-MJGOQNOKSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)CCC=C)CC1 ZINC001493160623 1107615491 /nfs/dbraw/zinc/61/54/91/1107615491.db2.gz IUMZSSPSTWWCJM-MJGOQNOKSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001506548513 1114690545 /nfs/dbraw/zinc/69/05/45/1114690545.db2.gz JKPNVRJBDXXOQC-QAPCUYQASA-N 1 3 325.472 2.097 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001507352122 1115214848 /nfs/dbraw/zinc/21/48/48/1115214848.db2.gz WRQWJJOPIQNQLN-QUCCMNQESA-N 1 3 340.471 2.123 10 30 EEEEHO CC[C@@H](C(=O)N[C@@H](C)CNCC#Cc1ccccc1)[NH+](CC)CC ZINC001569079835 1125085855 /nfs/dbraw/zinc/08/58/55/1125085855.db2.gz PFKNXRLZYPPJHT-HKUYNNGSSA-N 1 3 329.488 2.253 10 30 EEEEHO COc1cc(CN2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1C#N ZINC000593323267 468938301 /nfs/dbraw/zinc/93/83/01/468938301.db2.gz SAAHAUORJUEMTD-ZHALLVOQSA-N 1 3 329.444 2.428 10 30 EEEEHO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000599358555 469225022 /nfs/dbraw/zinc/22/50/22/469225022.db2.gz FBWWKGKVMRLZKM-YQVWRLOYSA-N 1 3 349.519 2.300 10 30 EEEEHO C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599358555 469225026 /nfs/dbraw/zinc/22/50/26/469225026.db2.gz FBWWKGKVMRLZKM-YQVWRLOYSA-N 1 3 349.519 2.300 10 30 EEEEHO C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000599358555 469225032 /nfs/dbraw/zinc/22/50/32/469225032.db2.gz FBWWKGKVMRLZKM-YQVWRLOYSA-N 1 3 349.519 2.300 10 30 EEEEHO C=CC[C@]1(C(=O)N2CC[C@H](N(C)CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662873279 472286717 /nfs/dbraw/zinc/28/67/17/472286717.db2.gz VQPIKXFWSKODRH-PZJWPPBQSA-N 1 3 341.499 2.460 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccccc2CC)CC1 ZINC001772517031 1176565823 /nfs/dbraw/zinc/56/58/23/1176565823.db2.gz GNIFDKYSRPMRAW-KRWDZBQOSA-N 1 3 341.499 2.189 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@@H]21 ZINC001691427973 1178322128 /nfs/dbraw/zinc/32/21/28/1178322128.db2.gz HIQJZJWTKOYOFS-BHIYHBOVSA-N 1 3 331.504 2.099 10 30 EEEEHO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@@H]21 ZINC001691427973 1178322137 /nfs/dbraw/zinc/32/21/37/1178322137.db2.gz HIQJZJWTKOYOFS-BHIYHBOVSA-N 1 3 331.504 2.099 10 30 EEEEHO CC#CC[NH2+]C[C@](C)(NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001267858372 1180642242 /nfs/dbraw/zinc/64/22/42/1180642242.db2.gz QZTLBIYJPUAZHX-RBUKOAKNSA-N 1 3 337.483 2.097 10 30 EEEEHO C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001270024390 1184792734 /nfs/dbraw/zinc/79/27/34/1184792734.db2.gz CMNGACNTLXASQM-BXWFABGCSA-N 1 3 337.483 2.239 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001272465858 1190836957 /nfs/dbraw/zinc/83/69/57/1190836957.db2.gz MBHXOVRIDQYFJQ-CVEARBPZSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001272465858 1190836958 /nfs/dbraw/zinc/83/69/58/1190836958.db2.gz MBHXOVRIDQYFJQ-CVEARBPZSA-N 1 3 327.900 2.442 10 30 EEEEHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1)N(C)C ZINC001272564544 1190880111 /nfs/dbraw/zinc/88/01/11/1190880111.db2.gz HGYZPYLXCAUWMN-LPHOPBHVSA-N 1 3 342.487 2.227 10 30 EEEEHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001483985004 1191142385 /nfs/dbraw/zinc/14/23/85/1191142385.db2.gz HQTMOMARXJZNEJ-QGZVFWFLSA-N 1 3 333.520 2.443 10 30 EEEEHO C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+](C)C ZINC001484822260 1191541152 /nfs/dbraw/zinc/54/11/52/1191541152.db2.gz DHERQOZJVCIUAV-IBGZPJMESA-N 1 3 329.488 2.447 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001275572055 1205423014 /nfs/dbraw/zinc/42/30/14/1205423014.db2.gz SUGLWJOFHWFKFV-SJORKVTESA-N 1 3 333.520 2.395 10 30 EEEEHO C[C@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)c(F)c1 ZINC000925852531 1206160982 /nfs/dbraw/zinc/16/09/82/1206160982.db2.gz CLZVCTOMLQJMIS-SWLSCSKDSA-N 1 3 331.391 2.033 10 30 EEEEHO C#CCN1CCC(C(=O)N(CC)CC[NH2+]Cc2ccc(C)cc2)CC1 ZINC001273764265 1285108874 /nfs/dbraw/zinc/10/88/74/1285108874.db2.gz CLMYVYVVKIFOCS-UHFFFAOYSA-N 1 3 341.499 2.278 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)C1 ZINC001491558153 1303520562 /nfs/dbraw/zinc/52/05/62/1303520562.db2.gz IWCTVVKLLARZRY-HUUCEWRRSA-N 1 3 348.516 2.336 10 30 EEEEHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)NCc2ccc(C#N)s2)C1 ZINC001491558153 1303520565 /nfs/dbraw/zinc/52/05/65/1303520565.db2.gz IWCTVVKLLARZRY-HUUCEWRRSA-N 1 3 348.516 2.336 10 30 EEEEHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC001278667567 1317608393 /nfs/dbraw/zinc/60/83/93/1317608393.db2.gz RSAQXLGIFNXTJV-DNVCBOLYSA-N 1 3 337.483 2.049 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1 ZINC001262571385 1322326707 /nfs/dbraw/zinc/32/67/07/1322326707.db2.gz TXAXUXVUWFPRDM-QGZVFWFLSA-N 1 3 334.508 2.330 10 30 EEEEHO C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](C)NCC#Cc1ccccc1 ZINC001282220030 1325654789 /nfs/dbraw/zinc/65/47/89/1325654789.db2.gz NPEFUNIQMDUJOT-ZWKOTPCHSA-N 1 3 329.488 2.253 10 30 EEEEHO C#CCN1CCC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001284686030 1326666555 /nfs/dbraw/zinc/66/65/55/1326666555.db2.gz FSIGJVRXFJRVPA-MRXNPFEDSA-N 1 3 333.520 2.489 10 30 EEEEHO C#CCN1CCC([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001284686030 1326666559 /nfs/dbraw/zinc/66/65/59/1326666559.db2.gz FSIGJVRXFJRVPA-MRXNPFEDSA-N 1 3 333.520 2.489 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@@H+](C[C@@H](C)CC)C2)CC1 ZINC001317811910 1332417153 /nfs/dbraw/zinc/41/71/53/1332417153.db2.gz SEGGNMRYPZYOSW-ZWKOTPCHSA-N 1 3 333.520 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001317811910 1332417156 /nfs/dbraw/zinc/41/71/56/1332417156.db2.gz SEGGNMRYPZYOSW-ZWKOTPCHSA-N 1 3 333.520 2.206 10 30 EEEEHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC#Cc1cccc(Cl)c1 ZINC001318603137 1332566476 /nfs/dbraw/zinc/56/64/76/1332566476.db2.gz OGUVTBZURNEXEU-AEFFLSMTSA-N 1 3 347.890 2.128 10 30 EEEEHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC#Cc1cccc(Cl)c1 ZINC001318603137 1332566478 /nfs/dbraw/zinc/56/64/78/1332566478.db2.gz OGUVTBZURNEXEU-AEFFLSMTSA-N 1 3 347.890 2.128 10 30 EEEEHO C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001318841807 1332608776 /nfs/dbraw/zinc/60/87/76/1332608776.db2.gz FQQPKCHOCIGJRX-MOPGFXCFSA-N 1 3 333.520 2.491 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001320642810 1332927367 /nfs/dbraw/zinc/92/73/67/1332927367.db2.gz BCMVPMQJKQYYLG-LPHOPBHVSA-N 1 3 342.487 2.417 10 30 EEEEHO C=CCC[C@H](C)[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001328485815 1334466309 /nfs/dbraw/zinc/46/63/09/1334466309.db2.gz NPEAUNAAHOLXNK-ZWKOTPCHSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCC[C@H](C)[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001328485815 1334466310 /nfs/dbraw/zinc/46/63/10/1334466310.db2.gz NPEAUNAAHOLXNK-ZWKOTPCHSA-N 1 3 349.519 2.129 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001333139868 1335969861 /nfs/dbraw/zinc/96/98/61/1335969861.db2.gz FCPXLLKNYHJBSA-UHFFFAOYSA-N 1 3 341.499 2.349 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N(C)C1CC(NCC#Cc2ccccc2)C1 ZINC001333139868 1335969863 /nfs/dbraw/zinc/96/98/63/1335969863.db2.gz FCPXLLKNYHJBSA-UHFFFAOYSA-N 1 3 341.499 2.349 10 30 EEEEHO C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)c(F)c1 ZINC001333471636 1336054743 /nfs/dbraw/zinc/05/47/43/1336054743.db2.gz OQXAJKJSDGQCBM-LJQANCHMSA-N 1 3 345.462 2.428 10 30 EEEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001618814450 1352353939 /nfs/dbraw/zinc/35/39/39/1352353939.db2.gz XBUCVLJUSHHQJI-MOPGFXCFSA-N 1 3 329.488 2.298 10 30 EEEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001618814450 1352353941 /nfs/dbraw/zinc/35/39/41/1352353941.db2.gz XBUCVLJUSHHQJI-MOPGFXCFSA-N 1 3 329.488 2.298 10 30 EEEEHO C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCC#Cc1ccccc1 ZINC001502754349 1342229290 /nfs/dbraw/zinc/22/92/90/1342229290.db2.gz PCRMLMULAHVLAE-ICSRJNTNSA-N 1 3 341.499 2.207 10 30 EEEEHO C=C(Cl)CNCCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001567185260 1342707338 /nfs/dbraw/zinc/70/73/38/1342707338.db2.gz SOSWETMGNZXPCO-QGZVFWFLSA-N 1 3 335.879 2.139 10 30 EEEEHO C=C(Cl)CNCCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001567185260 1342707341 /nfs/dbraw/zinc/70/73/41/1342707341.db2.gz SOSWETMGNZXPCO-QGZVFWFLSA-N 1 3 335.879 2.139 10 30 EEEEHO CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001570002708 1342995618 /nfs/dbraw/zinc/99/56/18/1342995618.db2.gz RVKWQGDGNSGICO-OALUTQOASA-N 1 3 342.487 2.227 10 30 EEEEHO C#CCN1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](CC(=C)C)C2)CC1 ZINC001664687861 1355212486 /nfs/dbraw/zinc/21/24/86/1355212486.db2.gz YEBWNQILLLBBGJ-IBGZPJMESA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](CC(=C)C)C2)CC1 ZINC001664687861 1355212490 /nfs/dbraw/zinc/21/24/90/1355212490.db2.gz YEBWNQILLLBBGJ-IBGZPJMESA-N 1 3 331.504 2.221 10 30 EEEEHO C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCN2CCC)CCOCC1 ZINC001671934882 1356441051 /nfs/dbraw/zinc/44/10/51/1356441051.db2.gz MINOXJYKYLZWPX-KRWDZBQOSA-N 1 3 337.508 2.082 10 30 EEEEHO C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCCCCC)C[C@@H]2C1 ZINC001675643604 1357027766 /nfs/dbraw/zinc/02/77/66/1357027766.db2.gz UMOLHYOAKYLTIH-IPMKNSEASA-N 1 3 333.520 2.348 10 30 EEEEHO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCCCCC)C[C@@H]2C1 ZINC001675643604 1357027769 /nfs/dbraw/zinc/02/77/69/1357027769.db2.gz UMOLHYOAKYLTIH-IPMKNSEASA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccsc3)C2)CC1 ZINC000939810781 777427682 /nfs/dbraw/zinc/42/76/82/777427682.db2.gz PGGLENLRYXGFLD-QAPCUYQASA-N 1 3 345.512 2.030 10 30 EEEEHO C[C@@H](CNCc1ccc(C#N)s1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001438677290 1091171251 /nfs/dbraw/zinc/17/12/51/1091171251.db2.gz NRXAKLYETJLUST-AWEZNQCLSA-N 1 3 348.516 2.431 10 30 EEEEHO C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001440134676 1093200476 /nfs/dbraw/zinc/20/04/76/1093200476.db2.gz JSSIJKNCCMXFQN-GOEBONIOSA-N 1 3 327.900 2.155 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCC(C)(NCc2cc(F)ccc2C#N)CC1 ZINC001440607808 1093872895 /nfs/dbraw/zinc/87/28/95/1093872895.db2.gz ABOIUVRZUMEBFF-UHFFFAOYSA-N 1 3 346.450 2.120 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001441849678 1095935709 /nfs/dbraw/zinc/93/57/09/1095935709.db2.gz MYJHQASNUFWBCQ-XJKSGUPXSA-N 1 3 334.489 2.087 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001441849678 1095935712 /nfs/dbraw/zinc/93/57/12/1095935712.db2.gz MYJHQASNUFWBCQ-XJKSGUPXSA-N 1 3 334.489 2.087 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496146541 1102134651 /nfs/dbraw/zinc/13/46/51/1102134651.db2.gz YFAGVMTWHSBUSR-BJLQDIEVSA-N 1 3 341.499 2.205 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001496146541 1102134660 /nfs/dbraw/zinc/13/46/60/1102134660.db2.gz YFAGVMTWHSBUSR-BJLQDIEVSA-N 1 3 341.499 2.205 10 30 EEEEHO C=CCN(C)CC[N@@H+](CC)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001460034273 1110253677 /nfs/dbraw/zinc/25/36/77/1110253677.db2.gz ZLMHKAAJSXUZCE-HXUWFJFHSA-N 1 3 331.504 2.063 10 30 EEEEHO C=CCN(C)CC[N@H+](CC)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001460034273 1110253680 /nfs/dbraw/zinc/25/36/80/1110253680.db2.gz ZLMHKAAJSXUZCE-HXUWFJFHSA-N 1 3 331.504 2.063 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CC/C=C\CC)C2)CC1 ZINC001479349211 1110684654 /nfs/dbraw/zinc/68/46/54/1110684654.db2.gz YTYCDYALGMDLIM-IEBZYFLXSA-N 1 3 331.504 2.172 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001502985901 1113867093 /nfs/dbraw/zinc/86/70/93/1113867093.db2.gz IQLMPBYKRDCFFQ-DLBZAZTESA-N 1 3 339.524 2.136 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001502985901 1113867098 /nfs/dbraw/zinc/86/70/98/1113867098.db2.gz IQLMPBYKRDCFFQ-DLBZAZTESA-N 1 3 339.524 2.136 10 30 EEEEHO CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001507027747 1115065400 /nfs/dbraw/zinc/06/54/00/1115065400.db2.gz LFCJLYSBWNXAOF-QFBILLFUSA-N 1 3 337.483 2.049 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001507352120 1115215396 /nfs/dbraw/zinc/21/53/96/1115215396.db2.gz WRQWJJOPIQNQLN-ICSRJNTNSA-N 1 3 340.471 2.123 10 30 EEEEHO C[C@H](CNCC#Cc1ccc(Cl)cc1)N(C)C(=O)CCC[NH+](C)C ZINC001568294825 1124409313 /nfs/dbraw/zinc/40/93/13/1124409313.db2.gz IRFGRNYYDCTVOA-MRXNPFEDSA-N 1 3 349.906 2.470 10 30 EEEEHO C[C@H](CCNCc1ccccc1C#N)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001568664425 1124678226 /nfs/dbraw/zinc/67/82/26/1124678226.db2.gz NAYBNSFWOZUQBS-MRXNPFEDSA-N 1 3 342.487 2.417 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCC=C)CC1 ZINC001569176202 1125146611 /nfs/dbraw/zinc/14/66/11/1125146611.db2.gz ZHVDEVWQNALRJL-OALUTQOASA-N 1 3 331.504 2.172 10 30 EEEEHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)C ZINC000247597917 464697359 /nfs/dbraw/zinc/69/73/59/464697359.db2.gz SWIVOBUZYNCXGX-ROUUACIJSA-N 1 3 334.508 2.175 10 30 EEEEHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)C(C)C ZINC000247597917 464697364 /nfs/dbraw/zinc/69/73/64/464697364.db2.gz SWIVOBUZYNCXGX-ROUUACIJSA-N 1 3 334.508 2.175 10 30 EEEEHO CN1C[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H](c2ccccc2)C1 ZINC000592526241 468720741 /nfs/dbraw/zinc/72/07/41/468720741.db2.gz XKJRWZFEDKFOJE-MOPGFXCFSA-N 1 3 346.438 2.036 10 30 EEEEHO C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000595944688 469094479 /nfs/dbraw/zinc/09/44/79/469094479.db2.gz IVWLWQQQJNXXNM-MOPGFXCFSA-N 1 3 342.487 2.173 10 30 EEEEHO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)CCCCC#N)C1 ZINC000595944688 469094484 /nfs/dbraw/zinc/09/44/84/469094484.db2.gz IVWLWQQQJNXXNM-MOPGFXCFSA-N 1 3 342.487 2.173 10 30 EEEEHO C=CC[C@]1(C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000662794803 472255034 /nfs/dbraw/zinc/25/50/34/472255034.db2.gz UBUNEKXWQDHVNN-XKGZKEIXSA-N 1 3 327.472 2.321 10 30 EEEEHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)C(C)C ZINC000173927474 527644936 /nfs/dbraw/zinc/64/49/36/527644936.db2.gz LKWZPHAYUADPRN-MOPGFXCFSA-N 1 3 346.519 2.341 10 30 EEEEHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001482367935 1185528406 /nfs/dbraw/zinc/52/84/06/1185528406.db2.gz CINWNEQIXYJSGS-UYAOXDASSA-N 1 3 341.499 2.349 10 30 EEEEHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001482367935 1185528409 /nfs/dbraw/zinc/52/84/09/1185528409.db2.gz CINWNEQIXYJSGS-UYAOXDASSA-N 1 3 341.499 2.349 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001482370222 1185535614 /nfs/dbraw/zinc/53/56/14/1185535614.db2.gz TUANJMPCBPEDLB-VQIMIIECSA-N 1 3 342.487 2.369 10 30 EEEEHO CC[N@H+](C)CCC(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001271914586 1186618154 /nfs/dbraw/zinc/61/81/54/1186618154.db2.gz CCSREXYDJJNTEH-LJQANCHMSA-N 1 3 329.488 2.110 10 30 EEEEHO CC[N@@H+](C)CCC(=O)NC[C@@H](NCC#Cc1ccccc1)C(C)C ZINC001271914586 1186618158 /nfs/dbraw/zinc/61/81/58/1186618158.db2.gz CCSREXYDJJNTEH-LJQANCHMSA-N 1 3 329.488 2.110 10 30 EEEEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001272865799 1193583468 /nfs/dbraw/zinc/58/34/68/1193583468.db2.gz NRGHJBNNUPIDEQ-CXAGYDPISA-N 1 3 334.439 2.022 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485229896 1191699008 /nfs/dbraw/zinc/69/90/08/1191699008.db2.gz NMEMDEUPDAOCEN-UONOGXRCSA-N 1 3 334.439 2.020 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000876741266 1199750414 /nfs/dbraw/zinc/75/04/14/1199750414.db2.gz PIWIFTDXGQMMQD-JKSUJKDBSA-N 1 3 327.900 2.427 10 30 EEEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000876898234 1199811246 /nfs/dbraw/zinc/81/12/46/1199811246.db2.gz PWOFRVOKBGLXMJ-BBRMVZONSA-N 1 3 336.867 2.193 10 30 EEEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001275175132 1205275487 /nfs/dbraw/zinc/27/54/87/1205275487.db2.gz GDFPEVJJGAMFBH-IBGZPJMESA-N 1 3 327.472 2.308 10 30 EEEEHO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001275175132 1205275489 /nfs/dbraw/zinc/27/54/89/1205275489.db2.gz GDFPEVJJGAMFBH-IBGZPJMESA-N 1 3 327.472 2.308 10 30 EEEEHO C[C@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001277299336 1302259394 /nfs/dbraw/zinc/25/93/94/1302259394.db2.gz QIHGMOWZKQTIFK-DLBZAZTESA-N 1 3 342.487 2.275 10 30 EEEEHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC#Cc1ccccc1 ZINC001277914271 1305077036 /nfs/dbraw/zinc/07/70/36/1305077036.db2.gz MWKRQMHRZNITDP-HBFSDRIKSA-N 1 3 341.499 2.205 10 30 EEEEHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC#Cc1ccccc1 ZINC001277914271 1305077046 /nfs/dbraw/zinc/07/70/46/1305077046.db2.gz MWKRQMHRZNITDP-HBFSDRIKSA-N 1 3 341.499 2.205 10 30 EEEEHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCC#Cc1ccc(Cl)cc1 ZINC001277921481 1305109109 /nfs/dbraw/zinc/10/91/09/1305109109.db2.gz GWJZYUGJRSQZRF-HNNXBMFYSA-N 1 3 335.879 2.080 10 30 EEEEHO C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(CN(C)C)c1 ZINC001264566679 1322734004 /nfs/dbraw/zinc/73/40/04/1322734004.db2.gz DGTYDYYQAVPNKR-APWZRJJASA-N 1 3 327.472 2.212 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001265910876 1323478919 /nfs/dbraw/zinc/47/89/19/1323478919.db2.gz SSZSOIVQZVETLW-PMACEKPBSA-N 1 3 339.483 2.103 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001265910876 1323478924 /nfs/dbraw/zinc/47/89/24/1323478924.db2.gz SSZSOIVQZVETLW-PMACEKPBSA-N 1 3 339.483 2.103 10 30 EEEEHO CC#CC[NH+]1CCC(C2(NC(=O)[C@H](F)CN(CC)CC)CC2)CC1 ZINC001279360753 1323885423 /nfs/dbraw/zinc/88/54/23/1323885423.db2.gz XPRLFCDJLWCWFA-QGZVFWFLSA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001316659733 1329875322 /nfs/dbraw/zinc/87/53/22/1329875322.db2.gz CMUONVFWBQHLJA-FCEWJHQRSA-N 1 3 337.483 2.097 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001317295412 1332168131 /nfs/dbraw/zinc/16/81/31/1332168131.db2.gz XUCDFKUBLYLRMQ-KRWDZBQOSA-N 1 3 331.504 2.316 10 30 EEEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001317433854 1332238203 /nfs/dbraw/zinc/23/82/03/1332238203.db2.gz FUCUVFZHTHALCM-MRXNPFEDSA-N 1 3 327.900 2.442 10 30 EEEEHO C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001318841810 1332608661 /nfs/dbraw/zinc/60/86/61/1332608661.db2.gz FQQPKCHOCIGJRX-RBUKOAKNSA-N 1 3 333.520 2.491 10 30 EEEEHO C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001319111735 1332650897 /nfs/dbraw/zinc/65/08/97/1332650897.db2.gz MLYUVCWBMCBOAK-CRAIPNDOSA-N 1 3 325.472 2.356 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001319788842 1332767790 /nfs/dbraw/zinc/76/77/90/1332767790.db2.gz UGHXNTQSSZMMBC-HOTGVXAUSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001319788842 1332767793 /nfs/dbraw/zinc/76/77/93/1332767793.db2.gz UGHXNTQSSZMMBC-HOTGVXAUSA-N 1 3 327.900 2.442 10 30 EEEEHO CC#CCN1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001324974953 1333800257 /nfs/dbraw/zinc/80/02/57/1333800257.db2.gz CQXXVCDXMDCYMJ-UYAOXDASSA-N 1 3 333.520 2.348 10 30 EEEEHO CC#CCN1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001327142717 1334232429 /nfs/dbraw/zinc/23/24/29/1334232429.db2.gz KDKKEZZNARISJJ-SFHVURJKSA-N 1 3 333.520 2.493 10 30 EEEEHO C[C@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)CN1CC[C@H](C)C1 ZINC001571307481 1343176569 /nfs/dbraw/zinc/17/65/69/1343176569.db2.gz DBCUOWWCRBXSBL-LSDHHAIUSA-N 1 3 348.516 2.336 10 30 EEEEHO CC#CCN1CCC(C2(NC(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001571670673 1343268513 /nfs/dbraw/zinc/26/85/13/1343268513.db2.gz WLFJBHMZALQNIR-UHFFFAOYSA-N 1 3 331.504 2.247 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)NC(=O)CC[NH+]1CCCCC1 ZINC001669482183 1356165196 /nfs/dbraw/zinc/16/51/96/1356165196.db2.gz GXZYOEVPLQBFDL-GOSISDBHSA-N 1 3 327.472 2.008 10 30 EEEEHO CC[C@H](C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001669661305 1356191331 /nfs/dbraw/zinc/19/13/31/1356191331.db2.gz AJGVXCADTDVSEE-QFBILLFUSA-N 1 3 347.478 2.392 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001669930538 1356242290 /nfs/dbraw/zinc/24/22/90/1356242290.db2.gz OJLLFVBKZLFVEP-QZTJIDSGSA-N 1 3 335.536 2.450 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)C[C@H](C)CC(C)C)CC1 ZINC001669930538 1356242292 /nfs/dbraw/zinc/24/22/92/1356242292.db2.gz OJLLFVBKZLFVEP-QZTJIDSGSA-N 1 3 335.536 2.450 10 30 EEEEHO C#CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCN(CC=C)CC1 ZINC001671497192 1356350511 /nfs/dbraw/zinc/35/05/11/1356350511.db2.gz NSERWQYZCKPJHJ-GOSISDBHSA-N 1 3 331.504 2.363 10 30 EEEEHO C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001671972724 1356447523 /nfs/dbraw/zinc/44/75/23/1356447523.db2.gz WKOBTAJVEIRGTO-OAHLLOKOSA-N 1 3 331.451 2.366 10 30 EEEEHO C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001671972724 1356447524 /nfs/dbraw/zinc/44/75/24/1356447524.db2.gz WKOBTAJVEIRGTO-OAHLLOKOSA-N 1 3 331.451 2.366 10 30 EEEEHO C#CCN1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001673646601 1356725963 /nfs/dbraw/zinc/72/59/63/1356725963.db2.gz YQDQWWNZDABAET-HXUWFJFHSA-N 1 3 345.531 2.446 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001699403196 1405347567 /nfs/dbraw/zinc/34/75/67/1405347567.db2.gz MZVZEMHZBFXFAI-QFBILLFUSA-N 1 3 345.462 2.144 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001699403196 1405347575 /nfs/dbraw/zinc/34/75/75/1405347575.db2.gz MZVZEMHZBFXFAI-QFBILLFUSA-N 1 3 345.462 2.144 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940832275 779378039 /nfs/dbraw/zinc/37/80/39/779378039.db2.gz WPAHSJFXXJLTLF-KRWDZBQOSA-N 1 3 331.504 2.102 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075404 779795223 /nfs/dbraw/zinc/79/52/23/779795223.db2.gz KMYWNOHNQYZARX-MSOLQXFVSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941076618 779796833 /nfs/dbraw/zinc/79/68/33/779796833.db2.gz YRQRXWXGQPLVLI-ZWKOTPCHSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941076618 779796840 /nfs/dbraw/zinc/79/68/40/779796840.db2.gz YRQRXWXGQPLVLI-ZWKOTPCHSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCN(C)CC1 ZINC000923294638 789327174 /nfs/dbraw/zinc/32/71/74/789327174.db2.gz KZFTZOUIZHQVFL-KRWDZBQOSA-N 1 3 346.519 2.132 10 30 EEEEHO C#CCN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C1CCN(C)CC1 ZINC000923294638 789327186 /nfs/dbraw/zinc/32/71/86/789327186.db2.gz KZFTZOUIZHQVFL-KRWDZBQOSA-N 1 3 346.519 2.132 10 30 EEEEHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445615011 1091410012 /nfs/dbraw/zinc/41/00/12/1091410012.db2.gz VVIKWMKILSYNJZ-QFBILLFUSA-N 1 3 342.487 2.415 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001441577096 1095369444 /nfs/dbraw/zinc/36/94/44/1095369444.db2.gz UUEHBTCJHZBWKP-LJQANCHMSA-N 1 3 342.487 2.227 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001441577096 1095369453 /nfs/dbraw/zinc/36/94/53/1095369453.db2.gz UUEHBTCJHZBWKP-LJQANCHMSA-N 1 3 342.487 2.227 10 30 EEEEHO C=C(C[NH+](C)C)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC001443750687 1098246491 /nfs/dbraw/zinc/24/64/91/1098246491.db2.gz GWJWVXZPNPNQSM-UHFFFAOYSA-N 1 3 337.508 2.034 10 30 EEEEHO C[C@H]1C[C@@H](C(=O)NC/C=C\CNCc2cccc(C#N)c2)CC[N@@H+]1C ZINC001497662888 1102852056 /nfs/dbraw/zinc/85/20/56/1102852056.db2.gz MYJVLGPIRUNSIY-PDNKVIRKSA-N 1 3 340.471 2.051 10 30 EEEEHO C[C@H]1C[C@@H](C(=O)NC/C=C\CNCc2cccc(C#N)c2)CC[N@H+]1C ZINC001497662888 1102852067 /nfs/dbraw/zinc/85/20/67/1102852067.db2.gz MYJVLGPIRUNSIY-PDNKVIRKSA-N 1 3 340.471 2.051 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC#Cc2ccccc2)C1 ZINC001497885520 1103256776 /nfs/dbraw/zinc/25/67/76/1103256776.db2.gz SFTCFOLHECGJLA-UYAOXDASSA-N 1 3 341.499 2.254 10 30 EEEEHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CNCC#Cc2ccccc2)C1 ZINC001497885520 1103256785 /nfs/dbraw/zinc/25/67/85/1103256785.db2.gz SFTCFOLHECGJLA-UYAOXDASSA-N 1 3 341.499 2.254 10 30 EEEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001501679259 1113431066 /nfs/dbraw/zinc/43/10/66/1113431066.db2.gz NKNKMZYPCKOFOO-INIZCTEOSA-N 1 3 327.472 2.319 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCCC)CC2)CC1 ZINC001502147452 1113615950 /nfs/dbraw/zinc/61/59/50/1113615950.db2.gz JODNXBYOHLOWNZ-LJQANCHMSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCCC)CC2)CC1 ZINC001502147452 1113615953 /nfs/dbraw/zinc/61/59/53/1113615953.db2.gz JODNXBYOHLOWNZ-LJQANCHMSA-N 1 3 333.520 2.493 10 30 EEEEHO CC#CCN1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406949 1113671604 /nfs/dbraw/zinc/67/16/04/1113671604.db2.gz WUEBFKXNFMHSLU-MOPGFXCFSA-N 1 3 345.531 2.445 10 30 EEEEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC001507454694 1115279697 /nfs/dbraw/zinc/27/96/97/1115279697.db2.gz ZBFCQAYPLYDHAK-GOSISDBHSA-N 1 3 342.487 2.225 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)NC(=O)CCC[NH+]1CCCC1 ZINC001569099302 1125097813 /nfs/dbraw/zinc/09/78/13/1125097813.db2.gz YKLWUZGGNRJVRR-SFHVURJKSA-N 1 3 327.472 2.008 10 30 EEEEHO N#CC1(C[C@H](O)CNC2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000600726852 468637395 /nfs/dbraw/zinc/63/73/95/468637395.db2.gz HKEFGNMZEPSXFB-IBGZPJMESA-N 1 3 349.519 2.444 10 30 EEEEHO N#CC1(C[C@H](O)C[NH2+]C2CCN(C3CCCCC3)CC2)CCOCC1 ZINC000600726852 468637398 /nfs/dbraw/zinc/63/73/98/468637398.db2.gz HKEFGNMZEPSXFB-IBGZPJMESA-N 1 3 349.519 2.444 10 30 EEEEHO Cc1cc(N[C@@H](C)C[N@H+](C)CCCN(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596359684 469250202 /nfs/dbraw/zinc/25/02/02/469250202.db2.gz BVVQNYUVWIOWSH-AWEZNQCLSA-N 1 3 333.436 2.459 10 30 EEEEHO Cc1cc(N[C@@H](C)C[N@@H+](C)CCCN(C)C)cc(C#N)c1[N+](=O)[O-] ZINC000596359684 469250209 /nfs/dbraw/zinc/25/02/09/469250209.db2.gz BVVQNYUVWIOWSH-AWEZNQCLSA-N 1 3 333.436 2.459 10 30 EEEEHO C=CC[C@]1(C(=O)NCCCN2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662679821 472202398 /nfs/dbraw/zinc/20/23/98/472202398.db2.gz CZLLAJREOFVRDS-HXUWFJFHSA-N 1 3 327.472 2.249 10 30 EEEEHO C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001267093836 1178225755 /nfs/dbraw/zinc/22/57/55/1178225755.db2.gz PBHMBEKNOMONRQ-MOPGFXCFSA-N 1 3 327.472 2.402 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)CCNCc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001267473127 1179103372 /nfs/dbraw/zinc/10/33/72/1179103372.db2.gz AZKGQJCOPNCALY-QGZVFWFLSA-N 1 3 348.516 2.288 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268475880 1182880993 /nfs/dbraw/zinc/88/09/93/1182880993.db2.gz BSPLOLOEIVOFCQ-MRXNPFEDSA-N 1 3 336.505 2.144 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001482171740 1183497761 /nfs/dbraw/zinc/49/77/61/1183497761.db2.gz HOFPQEUYUBYWCK-ROUUACIJSA-N 1 3 341.499 2.435 10 30 EEEEHO C#CCC[N@@H+](CCNC(=O)Cc1nc[nH]c1C)C1CCCCCC1 ZINC001269616333 1184440037 /nfs/dbraw/zinc/44/00/37/1184440037.db2.gz LQEHESVTUIPGHN-UHFFFAOYSA-N 1 3 330.476 2.425 10 30 EEEEHO C#CCC[N@H+](CCNC(=O)Cc1nc[nH]c1C)C1CCCCCC1 ZINC001269616333 1184440039 /nfs/dbraw/zinc/44/00/39/1184440039.db2.gz LQEHESVTUIPGHN-UHFFFAOYSA-N 1 3 330.476 2.425 10 30 EEEEHO CCN(CCNCC#Cc1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482950167 1187889768 /nfs/dbraw/zinc/88/97/68/1187889768.db2.gz HRGUOBYVAKATGC-UHFFFAOYSA-N 1 3 343.515 2.454 10 30 EEEEHO CCN(CCNCC#Cc1ccccc1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001482950167 1187889774 /nfs/dbraw/zinc/88/97/74/1187889774.db2.gz HRGUOBYVAKATGC-UHFFFAOYSA-N 1 3 343.515 2.454 10 30 EEEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCCCCF)CC1 ZINC001483987025 1191143321 /nfs/dbraw/zinc/14/33/21/1191143321.db2.gz BDVLNVPNFFFPRY-UHFFFAOYSA-N 1 3 334.439 2.018 10 30 EEEEHO C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)CN(C)C2CCC2)cc1 ZINC001484558599 1191414575 /nfs/dbraw/zinc/41/45/75/1191414575.db2.gz JOYAHNJBKCOYRG-MRXNPFEDSA-N 1 3 327.472 2.461 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000876720077 1199737723 /nfs/dbraw/zinc/73/77/23/1199737723.db2.gz ZYGJATYWPBBAFL-KRWDZBQOSA-N 1 3 335.879 2.280 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000876734361 1199746267 /nfs/dbraw/zinc/74/62/67/1199746267.db2.gz CZRZSZPHAJZJNR-IRXDYDNUSA-N 1 3 335.879 2.485 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876734361 1199746271 /nfs/dbraw/zinc/74/62/71/1199746271.db2.gz CZRZSZPHAJZJNR-IRXDYDNUSA-N 1 3 335.879 2.485 10 30 EEEEHO CC#CCN1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001490609816 1291520968 /nfs/dbraw/zinc/52/09/68/1291520968.db2.gz LSZRYCYXWJQIMX-GOSISDBHSA-N 1 3 331.504 2.247 10 30 EEEEHO C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001278747709 1317957855 /nfs/dbraw/zinc/95/78/55/1317957855.db2.gz RZYOEZDSBZJABU-LSDHHAIUSA-N 1 3 331.451 2.366 10 30 EEEEHO C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001278747709 1317957856 /nfs/dbraw/zinc/95/78/56/1317957856.db2.gz RZYOEZDSBZJABU-LSDHHAIUSA-N 1 3 331.451 2.366 10 30 EEEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C(F)(F)F ZINC001264594584 1322745640 /nfs/dbraw/zinc/74/56/40/1322745640.db2.gz NAUVGYUYEHFETH-GXTWGEPZSA-N 1 3 344.381 2.145 10 30 EEEEHO C[NH+](C)CCCCC(=O)N1CC[C@H](NCc2ccc(C#N)s2)C1 ZINC001265456250 1323164682 /nfs/dbraw/zinc/16/46/82/1323164682.db2.gz MASKQGXQVSSIPQ-AWEZNQCLSA-N 1 3 334.489 2.042 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001265910877 1323479470 /nfs/dbraw/zinc/47/94/70/1323479470.db2.gz SSZSOIVQZVETLW-VQTJNVASSA-N 1 3 339.483 2.103 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001265910877 1323479475 /nfs/dbraw/zinc/47/94/75/1323479475.db2.gz SSZSOIVQZVETLW-VQTJNVASSA-N 1 3 339.483 2.103 10 30 EEEEHO C=CCN[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1C(F)(F)F ZINC001284736481 1326689168 /nfs/dbraw/zinc/68/91/68/1326689168.db2.gz HKLRVODFDHQCDV-GJZGRUSLSA-N 1 3 347.425 2.417 10 30 EEEEHO CC#CC[NH+]1CCC(C2(NC(=O)CN(C)CC(C)(C)C)CC2)CC1 ZINC001284846775 1326742009 /nfs/dbraw/zinc/74/20/09/1326742009.db2.gz SMYUJNGSENLBTD-UHFFFAOYSA-N 1 3 333.520 2.348 10 30 EEEEHO C=CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1C(F)(F)F ZINC001316726567 1331842408 /nfs/dbraw/zinc/84/24/08/1331842408.db2.gz GQUQJDFMZKSSHB-KGLIPLIRSA-N 1 3 347.425 2.273 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319285717 1332675534 /nfs/dbraw/zinc/67/55/34/1332675534.db2.gz PHXZTEUTMJGZHL-UYAOXDASSA-N 1 3 341.499 2.254 10 30 EEEEHO CC[C@H](C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1)N(C)C ZINC001326411023 1334087403 /nfs/dbraw/zinc/08/74/03/1334087403.db2.gz GLLYUHOSSHKXLI-WMLDXEAASA-N 1 3 348.516 2.288 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC=C)CC2(C)C)CC1 ZINC001330261909 1334814509 /nfs/dbraw/zinc/81/45/09/1334814509.db2.gz ISARHWFXEPMWEG-GOSISDBHSA-N 1 3 331.504 2.124 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCC=C)CC2(C)C)CC1 ZINC001330261909 1334814512 /nfs/dbraw/zinc/81/45/12/1334814512.db2.gz ISARHWFXEPMWEG-GOSISDBHSA-N 1 3 331.504 2.124 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCCC=C)C(C)(C)C)CC1 ZINC001332899563 1335927473 /nfs/dbraw/zinc/92/74/73/1335927473.db2.gz QUWZDTPONQWMBW-SFHVURJKSA-N 1 3 333.520 2.418 10 30 EEEEHO CC#CCN1CCC(C)(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001569575630 1342900355 /nfs/dbraw/zinc/90/03/55/1342900355.db2.gz YRLAJNZIJXGKFT-LJQANCHMSA-N 1 3 337.483 2.193 10 30 EEEEHO CC#CCN1CCC(C)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001569575630 1342900357 /nfs/dbraw/zinc/90/03/57/1342900357.db2.gz YRLAJNZIJXGKFT-LJQANCHMSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001569828842 1342954462 /nfs/dbraw/zinc/95/44/62/1342954462.db2.gz PIRUXDBFUSNSOI-APWZRJJASA-N 1 3 327.472 2.212 10 30 EEEEHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001570640423 1343096510 /nfs/dbraw/zinc/09/65/10/1343096510.db2.gz AIYKGXDDQFSMMH-JKSUJKDBSA-N 1 3 333.451 2.002 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001570640423 1343096515 /nfs/dbraw/zinc/09/65/15/1343096515.db2.gz AIYKGXDDQFSMMH-JKSUJKDBSA-N 1 3 333.451 2.002 10 30 EEEEHO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001661474049 1354643898 /nfs/dbraw/zinc/64/38/98/1354643898.db2.gz UYHZBIFUHWQNKM-MPGHIAIKSA-N 1 3 325.472 2.402 10 30 EEEEHO C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001661554845 1354657654 /nfs/dbraw/zinc/65/76/54/1354657654.db2.gz HDNIYQYPPUMHSR-MSOLQXFVSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001661554845 1354657656 /nfs/dbraw/zinc/65/76/56/1354657656.db2.gz HDNIYQYPPUMHSR-MSOLQXFVSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001663013925 1354887791 /nfs/dbraw/zinc/88/77/91/1354887791.db2.gz ICCYOVSOHKVOBD-QGZVFWFLSA-N 1 3 345.531 2.396 10 30 EEEEHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001664392140 1355153266 /nfs/dbraw/zinc/15/32/66/1355153266.db2.gz YLMSVRSDDNXHAO-GJZGRUSLSA-N 1 3 346.450 2.118 10 30 EEEEHO C#CCC[NH2+]C[C@]1(NC(=O)C2CCN(CC#C)CC2)CCCC[C@@H]1C ZINC001666069747 1355439791 /nfs/dbraw/zinc/43/97/91/1355439791.db2.gz WHNUUXFOHJHLLG-GHTZIAJQSA-N 1 3 343.515 2.010 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCC=C)CC1 ZINC001667768693 1355811482 /nfs/dbraw/zinc/81/14/82/1355811482.db2.gz AZTJORMNBFUQFO-OALUTQOASA-N 1 3 331.504 2.172 10 30 EEEEHO C=CCOCC[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001673928061 1356761199 /nfs/dbraw/zinc/76/11/99/1356761199.db2.gz ANFDCELMABVECV-QFBILLFUSA-N 1 3 345.487 2.001 10 30 EEEEHO C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001675252792 1356951762 /nfs/dbraw/zinc/95/17/62/1356951762.db2.gz DXWHMQQJURMGAN-SJORKVTESA-N 1 3 325.472 2.050 10 30 EEEEHO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)CN(CC)CC ZINC001675252792 1356951764 /nfs/dbraw/zinc/95/17/64/1356951764.db2.gz DXWHMQQJURMGAN-SJORKVTESA-N 1 3 325.472 2.050 10 30 EEEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@@H]1C)C1CC[NH+](CC(C)C)CC1 ZINC001699789136 1405486587 /nfs/dbraw/zinc/48/65/87/1405486587.db2.gz LNNZMHZFERPQFD-HDICACEKSA-N 1 3 333.520 2.441 10 30 EEEEHO C#CC[C@@H]1CCCN(CC2(C[N@@H+]3CCC[C@@H](CC#C)C3)COC2)C1 ZINC000829810293 805405749 /nfs/dbraw/zinc/40/57/49/805405749.db2.gz NMAWSCAODBBYGX-WOJBJXKFSA-N 1 3 328.500 2.474 10 30 EEEEHO C#CC[C@@H]1CCCN(CC2(C[N@H+]3CCC[C@@H](CC#C)C3)COC2)C1 ZINC000829810293 805405752 /nfs/dbraw/zinc/40/57/52/805405752.db2.gz NMAWSCAODBBYGX-WOJBJXKFSA-N 1 3 328.500 2.474 10 30 EEEEHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)N(C)Cc1cccc(C#N)c1 ZINC001440956760 1094211061 /nfs/dbraw/zinc/21/10/61/1094211061.db2.gz FCJRWTZVXFFIDK-BXWFABGCSA-N 1 3 342.487 2.225 10 30 EEEEHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)N(C)Cc1cccc(C#N)c1 ZINC001440956760 1094211069 /nfs/dbraw/zinc/21/10/69/1094211069.db2.gz FCJRWTZVXFFIDK-BXWFABGCSA-N 1 3 342.487 2.225 10 30 EEEEHO CCCN1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480472618 1100280248 /nfs/dbraw/zinc/28/02/48/1100280248.db2.gz QNJZCFQDDDSXQG-MAUKXSAKSA-N 1 3 328.460 2.027 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCC(=C)C)C2)CC1 ZINC001480711713 1106936268 /nfs/dbraw/zinc/93/62/68/1106936268.db2.gz ZUKYYNWFWWERHI-RBUKOAKNSA-N 1 3 331.504 2.315 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@](C)(C[NH2+]CCC(C)C)C2CC2)CC1 ZINC001568033307 1124240810 /nfs/dbraw/zinc/24/08/10/1124240810.db2.gz FUDMYOBLZVQHIT-FQEVSTJZSA-N 1 3 333.520 2.252 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001568713984 1124730973 /nfs/dbraw/zinc/73/09/73/1124730973.db2.gz MLUVNMFAQATSOG-AZUAARDMSA-N 1 3 341.499 2.397 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000246099849 464545011 /nfs/dbraw/zinc/54/50/11/464545011.db2.gz HDCGQYDXOGWRCJ-MSOLQXFVSA-N 1 3 334.508 2.294 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000246099849 464545017 /nfs/dbraw/zinc/54/50/17/464545017.db2.gz HDCGQYDXOGWRCJ-MSOLQXFVSA-N 1 3 334.508 2.294 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000417546068 466880853 /nfs/dbraw/zinc/88/08/53/466880853.db2.gz YXYOCLOZVVXNIS-UHFFFAOYSA-N 1 3 344.503 2.240 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000594440863 468588555 /nfs/dbraw/zinc/58/85/55/468588555.db2.gz IUHPIHIUIBDACO-IBGZPJMESA-N 1 3 342.487 2.221 10 30 EEEEHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594443882 468590310 /nfs/dbraw/zinc/59/03/10/468590310.db2.gz WNHLGFQDUKTHJB-CRAIPNDOSA-N 1 3 343.475 2.134 10 30 EEEEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000601967127 469116373 /nfs/dbraw/zinc/11/63/73/469116373.db2.gz IAFBTTSRVVQPOV-NEWSRXKRSA-N 1 3 327.472 2.399 10 30 EEEEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)CC1(C#N)CC1 ZINC000601967127 469116380 /nfs/dbraw/zinc/11/63/80/469116380.db2.gz IAFBTTSRVVQPOV-NEWSRXKRSA-N 1 3 327.472 2.399 10 30 EEEEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)CC1(C#N)CC1 ZINC000601967127 469116388 /nfs/dbraw/zinc/11/63/88/469116388.db2.gz IAFBTTSRVVQPOV-NEWSRXKRSA-N 1 3 327.472 2.399 10 30 EEEEHO CC#CC[N@@H+](CCNC(=O)[C@H](c1ccccc1)N(C)CC)C1CC1 ZINC001267336301 1178780368 /nfs/dbraw/zinc/78/03/68/1178780368.db2.gz LXVAXPRJQBDMNK-IBGZPJMESA-N 1 3 327.472 2.283 10 30 EEEEHO CC#CC[N@H+](CCNC(=O)[C@H](c1ccccc1)N(C)CC)C1CC1 ZINC001267336301 1178780371 /nfs/dbraw/zinc/78/03/71/1178780371.db2.gz LXVAXPRJQBDMNK-IBGZPJMESA-N 1 3 327.472 2.283 10 30 EEEEHO C=CCC[N@@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001481186715 1180031372 /nfs/dbraw/zinc/03/13/72/1180031372.db2.gz VNOWCUSLYKZMKO-SFHVURJKSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCC[N@H+](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001481186715 1180031379 /nfs/dbraw/zinc/03/13/79/1180031379.db2.gz VNOWCUSLYKZMKO-SFHVURJKSA-N 1 3 325.472 2.356 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001481660173 1182162914 /nfs/dbraw/zinc/16/29/14/1182162914.db2.gz BQPMYCUKERUYDD-UHFFFAOYSA-N 1 3 333.520 2.206 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000876754158 1199757294 /nfs/dbraw/zinc/75/72/94/1199757294.db2.gz PVKLVTVOZJWSGN-HNNXBMFYSA-N 1 3 325.840 2.060 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000876875839 1199802138 /nfs/dbraw/zinc/80/21/38/1199802138.db2.gz CHPVYSSXNWUVBU-HNNXBMFYSA-N 1 3 345.821 2.325 10 30 EEEEHO C[C@H](NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)c(F)c1 ZINC000925852533 1206161039 /nfs/dbraw/zinc/16/10/39/1206161039.db2.gz CLZVCTOMLQJMIS-WFASDCNBSA-N 1 3 331.391 2.033 10 30 EEEEHO CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCN1CC ZINC001273771145 1285327315 /nfs/dbraw/zinc/32/73/15/1285327315.db2.gz ABSDRLZYSDNANH-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001265978680 1323538586 /nfs/dbraw/zinc/53/85/86/1323538586.db2.gz URVKUFFTJZLKQC-RLLQIKCJSA-N 1 3 345.531 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001265978680 1323538588 /nfs/dbraw/zinc/53/85/88/1323538588.db2.gz URVKUFFTJZLKQC-RLLQIKCJSA-N 1 3 345.531 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]C/C=C/Cl)C2)CC1 ZINC001266079601 1323635856 /nfs/dbraw/zinc/63/58/56/1323635856.db2.gz RZCZPHMFZWTZKI-VAJLHQMSSA-N 1 3 337.895 2.101 10 30 EEEEHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)Cc1ccc(C#N)s1 ZINC001266100651 1323663970 /nfs/dbraw/zinc/66/39/70/1323663970.db2.gz GVBVXPGNYLQNCN-UHFFFAOYSA-N 1 3 346.500 2.044 10 30 EEEEHO CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)CN1CC[C@@H](C)C1 ZINC001283350209 1326023973 /nfs/dbraw/zinc/02/39/73/1326023973.db2.gz GRPYEJACIBSJRB-LJQANCHMSA-N 1 3 341.499 2.360 10 30 EEEEHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC#Cc2ccc(F)cc2)C1)N(C)C ZINC001284773300 1326706837 /nfs/dbraw/zinc/70/68/37/1326706837.db2.gz CDQGBSAWAIMKSP-CTWPCTMYSA-N 1 3 345.462 2.096 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCCc2ccccc2)CC1 ZINC001321757242 1333153721 /nfs/dbraw/zinc/15/37/21/1333153721.db2.gz ZPRFWFTVVZNBJH-GOSISDBHSA-N 1 3 341.499 2.059 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1Cl)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001321992141 1333191624 /nfs/dbraw/zinc/19/16/24/1333191624.db2.gz VTUDAYFEHGHKTP-CVEARBPZSA-N 1 3 347.890 2.128 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1Cl)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001321992141 1333191628 /nfs/dbraw/zinc/19/16/28/1333191628.db2.gz VTUDAYFEHGHKTP-CVEARBPZSA-N 1 3 347.890 2.128 10 30 EEEEHO CC#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CN(C)CCC)C2)CC1 ZINC001325363918 1333872517 /nfs/dbraw/zinc/87/25/17/1333872517.db2.gz VPGBUJSJYWAVMF-LJQANCHMSA-N 1 3 333.520 2.302 10 30 EEEEHO C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001566689854 1342603821 /nfs/dbraw/zinc/60/38/21/1342603821.db2.gz WBESLNYKRONAST-ZWKOTPCHSA-N 1 3 349.519 2.033 10 30 EEEEHO CC#CCN1CCC[C@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001569723122 1342932561 /nfs/dbraw/zinc/93/25/61/1342932561.db2.gz BSXYEPOAINARDH-HXUWFJFHSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001672170304 1356472642 /nfs/dbraw/zinc/47/26/42/1356472642.db2.gz DQUWZKBKJWFPLS-LJQANCHMSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCN(C(=O)CN1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CC(C)C)CC1 ZINC001699789138 1405486640 /nfs/dbraw/zinc/48/66/40/1405486640.db2.gz LNNZMHZFERPQFD-ROUUACIJSA-N 1 3 333.520 2.441 10 30 EEEEHO C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001440134682 1093200864 /nfs/dbraw/zinc/20/08/64/1093200864.db2.gz JSSIJKNCCMXFQN-ZBFHGGJFSA-N 1 3 327.900 2.155 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001495810542 1101625710 /nfs/dbraw/zinc/62/57/10/1101625710.db2.gz BMUWKZUJEVMTSN-INIZCTEOSA-N 1 3 349.906 2.374 10 30 EEEEHO C#CCN1CC[C@]2(CCN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001499615832 1112413258 /nfs/dbraw/zinc/41/32/58/1112413258.db2.gz IOCAYOBQMYMFEF-FQEVSTJZSA-N 1 3 333.520 2.446 10 30 EEEEHO CC(C)C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)NCC[NH+](C)C ZINC000347253702 466513056 /nfs/dbraw/zinc/51/30/56/466513056.db2.gz RTTKHMGMXYSBMF-YJBOKZPZSA-N 1 3 330.476 2.301 10 30 EEEEHO C=CC[C@@]1(C(=O)NCC2CCN(c3ccncc3)CC2)CCC[NH2+]1 ZINC000662792461 472252825 /nfs/dbraw/zinc/25/28/25/472252825.db2.gz BFABMCXWGDSDCQ-IBGZPJMESA-N 1 3 328.460 2.113 10 30 EEEEHO CN(CCNCc1ccc(F)c(C#N)c1)C(=O)CCC[NH+]1CCCC1 ZINC001267110288 1178266410 /nfs/dbraw/zinc/26/64/10/1178266410.db2.gz YLZKITRVBDADSG-UHFFFAOYSA-N 1 3 346.450 2.121 10 30 EEEEHO C#CCN1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001691427884 1178316210 /nfs/dbraw/zinc/31/62/10/1178316210.db2.gz GLXFZYXQGNMJPC-QRQLOZEOSA-N 1 3 331.504 2.101 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001267154936 1178338551 /nfs/dbraw/zinc/33/85/51/1178338551.db2.gz NHNCUFHRRAQDPX-SFHVURJKSA-N 1 3 341.499 2.059 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001482035196 1183188804 /nfs/dbraw/zinc/18/88/04/1183188804.db2.gz RXRQCFVLMURONU-RTBURBONSA-N 1 3 327.472 2.146 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+][C@H](C)c2ccccc2)CC1 ZINC001482171741 1183499116 /nfs/dbraw/zinc/49/91/16/1183499116.db2.gz HOFPQEUYUBYWCK-ZWKOTPCHSA-N 1 3 341.499 2.435 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001268716724 1183636214 /nfs/dbraw/zinc/63/62/14/1183636214.db2.gz JKCCYJZRDRYABJ-HOTGVXAUSA-N 1 3 345.462 2.326 10 30 EEEEHO C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CCN(CC=C(C)C)CC1 ZINC001270338783 1185030352 /nfs/dbraw/zinc/03/03/52/1185030352.db2.gz QKUQPPWBWFMTRG-UHFFFAOYSA-N 1 3 331.504 2.221 10 30 EEEEHO CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H](C)N2CCCCCC2)CC1 ZINC001270911549 1185735883 /nfs/dbraw/zinc/73/58/83/1185735883.db2.gz ORFNQPSTRSHKBV-GOSISDBHSA-N 1 3 333.520 2.493 10 30 EEEEHO C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCCN2C(C)C)CCOCC1 ZINC001271072608 1185858869 /nfs/dbraw/zinc/85/88/69/1185858869.db2.gz GCTMWPCMSVNZAD-KRWDZBQOSA-N 1 3 337.508 2.080 10 30 EEEEHO C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001271102078 1185887110 /nfs/dbraw/zinc/88/71/10/1185887110.db2.gz XELKZMUIRSSLER-CABCVRRESA-N 1 3 331.451 2.366 10 30 EEEEHO C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001271102078 1185887115 /nfs/dbraw/zinc/88/71/15/1185887115.db2.gz XELKZMUIRSSLER-CABCVRRESA-N 1 3 331.451 2.366 10 30 EEEEHO C=CCN1CCc2c(CNC(=O)C[N@H+]3CC[C@@H](C)C3)cccc2C1 ZINC001272916546 1193602568 /nfs/dbraw/zinc/60/25/68/1193602568.db2.gz BBSGZOGUQBLVEI-MRXNPFEDSA-N 1 3 327.472 2.189 10 30 EEEEHO C=CCN1CCc2c(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)cccc2C1 ZINC001272916546 1193602570 /nfs/dbraw/zinc/60/25/70/1193602570.db2.gz BBSGZOGUQBLVEI-MRXNPFEDSA-N 1 3 327.472 2.189 10 30 EEEEHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccc(C#N)s1 ZINC001485913950 1193638054 /nfs/dbraw/zinc/63/80/54/1193638054.db2.gz IFKSGLSVXOMDAK-KKUMJFAQSA-N 1 3 348.516 2.287 10 30 EEEEHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccc(C#N)s1 ZINC001485913950 1193638056 /nfs/dbraw/zinc/63/80/56/1193638056.db2.gz IFKSGLSVXOMDAK-KKUMJFAQSA-N 1 3 348.516 2.287 10 30 EEEEHO CC#CC[NH2+]C1(C)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001484928052 1191574087 /nfs/dbraw/zinc/57/40/87/1191574087.db2.gz DVLABADIQUZYSI-UHFFFAOYSA-N 1 3 327.472 2.356 10 30 EEEEHO C=C(Br)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001410949473 1198615169 /nfs/dbraw/zinc/61/51/69/1198615169.db2.gz FXOQPXGUIKDSNR-UONOGXRCSA-N 1 3 346.313 2.110 10 30 EEEEHO CC[C@@H](C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001265493872 1323182615 /nfs/dbraw/zinc/18/26/15/1323182615.db2.gz FYUMZOIZSBAOIC-UFYCRDLUSA-N 1 3 341.499 2.395 10 30 EEEEHO C#CCN1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001281098045 1324760714 /nfs/dbraw/zinc/76/07/14/1324760714.db2.gz AOAZQBYVDPYQQK-FQEVSTJZSA-N 1 3 331.504 2.200 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001283925104 1326322369 /nfs/dbraw/zinc/32/23/69/1326322369.db2.gz BZWLZIDWVSDLRK-AZUAARDMSA-N 1 3 341.499 2.349 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1C ZINC001283925104 1326322372 /nfs/dbraw/zinc/32/23/72/1326322372.db2.gz BZWLZIDWVSDLRK-AZUAARDMSA-N 1 3 341.499 2.349 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC/C=C/CCC)C2)CC1 ZINC001318300966 1332505060 /nfs/dbraw/zinc/50/50/60/1332505060.db2.gz IIWSABICPLADLH-GHOSXJJBSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC/C=C/CCC)C2)CC1 ZINC001318300966 1332505066 /nfs/dbraw/zinc/50/50/66/1332505066.db2.gz IIWSABICPLADLH-GHOSXJJBSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001318300964 1332505701 /nfs/dbraw/zinc/50/57/01/1332505701.db2.gz IIVQGDOTCDGSKS-HKUYNNGSSA-N 1 3 333.520 2.204 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001318300964 1332505703 /nfs/dbraw/zinc/50/57/03/1332505703.db2.gz IIVQGDOTCDGSKS-HKUYNNGSSA-N 1 3 333.520 2.204 10 30 EEEEHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC#Cc1cccc(Cl)c1 ZINC001318603239 1332566511 /nfs/dbraw/zinc/56/65/11/1332566511.db2.gz OGUVTBZURNEXEU-WMZOPIPTSA-N 1 3 347.890 2.128 10 30 EEEEHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC#Cc1cccc(Cl)c1 ZINC001318603239 1332566512 /nfs/dbraw/zinc/56/65/12/1332566512.db2.gz OGUVTBZURNEXEU-WMZOPIPTSA-N 1 3 347.890 2.128 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001321877626 1333172388 /nfs/dbraw/zinc/17/23/88/1333172388.db2.gz AFXBWKFLTDRHNX-LPHOPBHVSA-N 1 3 345.462 2.146 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001321877626 1333172392 /nfs/dbraw/zinc/17/23/92/1333172392.db2.gz AFXBWKFLTDRHNX-LPHOPBHVSA-N 1 3 345.462 2.146 10 30 EEEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC001326889073 1334176922 /nfs/dbraw/zinc/17/69/22/1334176922.db2.gz FYMRMGYUSNLWSA-GOSISDBHSA-N 1 3 325.472 2.404 10 30 EEEEHO C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCCN2C(C)C)cc1 ZINC001567183806 1342706530 /nfs/dbraw/zinc/70/65/30/1342706530.db2.gz PIBGWDKQVLROAL-FQEVSTJZSA-N 1 3 341.499 2.331 10 30 EEEEHO C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](F)CN(CC)CC)C2)CC1 ZINC001656394530 1354227475 /nfs/dbraw/zinc/22/74/75/1354227475.db2.gz VXAINWAWXLFSSB-IAGOWNOFSA-N 1 3 337.483 2.003 10 30 EEEEHO CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@@H]21 ZINC001656650613 1354257332 /nfs/dbraw/zinc/25/73/32/1354257332.db2.gz IEHYXSJLCHNEKT-MISYRCLQSA-N 1 3 345.531 2.491 10 30 EEEEHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC#Cc1ccc(F)cc1 ZINC001665793172 1355389551 /nfs/dbraw/zinc/38/95/51/1355389551.db2.gz NOLQRHUXGOYTLP-ATZDWAIDSA-N 1 3 345.462 2.002 10 30 EEEEHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC#Cc1ccc(F)cc1 ZINC001665793172 1355389556 /nfs/dbraw/zinc/38/95/56/1355389556.db2.gz NOLQRHUXGOYTLP-ATZDWAIDSA-N 1 3 345.462 2.002 10 30 EEEEHO C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001674352948 1356823399 /nfs/dbraw/zinc/82/33/99/1356823399.db2.gz JKHBWGCWMZFYOT-LJQANCHMSA-N 1 3 333.520 2.445 10 30 EEEEHO C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001674352948 1356823400 /nfs/dbraw/zinc/82/34/00/1356823400.db2.gz JKHBWGCWMZFYOT-LJQANCHMSA-N 1 3 333.520 2.445 10 30 EEEEHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001674720832 1356883307 /nfs/dbraw/zinc/88/33/07/1356883307.db2.gz DCABMVFRCDFYJX-JKSUJKDBSA-N 1 3 345.462 2.002 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001698862227 1405118470 /nfs/dbraw/zinc/11/84/70/1405118470.db2.gz WSCGHCQUUJFCHX-LJQANCHMSA-N 1 3 341.499 2.351 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940832276 779377929 /nfs/dbraw/zinc/37/79/29/779377929.db2.gz WPAHSJFXXJLTLF-QGZVFWFLSA-N 1 3 331.504 2.102 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940972588 779596472 /nfs/dbraw/zinc/59/64/72/779596472.db2.gz OBFJDWOMNVZZAP-ROUUACIJSA-N 1 3 333.520 2.348 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940972588 779596474 /nfs/dbraw/zinc/59/64/74/779596474.db2.gz OBFJDWOMNVZZAP-ROUUACIJSA-N 1 3 333.520 2.348 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075405 779794914 /nfs/dbraw/zinc/79/49/14/779794914.db2.gz KMYWNOHNQYZARX-QZTJIDSGSA-N 1 3 333.520 2.491 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437321080 1089482319 /nfs/dbraw/zinc/48/23/19/1089482319.db2.gz IZGNOQUESIXUCL-RBUKOAKNSA-N 1 3 342.487 2.415 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001441878011 1095999204 /nfs/dbraw/zinc/99/92/04/1095999204.db2.gz RONWNSHMKUYVCN-QUCCMNQESA-N 1 3 340.471 2.123 10 30 EEEEHO C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444619742 1099445735 /nfs/dbraw/zinc/44/57/35/1099445735.db2.gz BNSJCZHWTZVMDV-AWEZNQCLSA-N 1 3 346.450 2.118 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H](C)CNCC#Cc1ccccc1Cl)[NH+](C)C ZINC001497968787 1103434021 /nfs/dbraw/zinc/43/40/21/1103434021.db2.gz JMHAODBIEVCJAR-QAPCUYQASA-N 1 3 349.906 2.372 10 30 EEEEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001447872736 1103488664 /nfs/dbraw/zinc/48/86/64/1103488664.db2.gz SGAKZNBBOXFCFN-KBPBESRZSA-N 1 3 346.450 2.164 10 30 EEEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001507011419 1115052828 /nfs/dbraw/zinc/05/28/28/1115052828.db2.gz DDYZEGCTCHYQPB-HZPDHXFCSA-N 1 3 327.900 2.438 10 30 EEEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001507011419 1115052831 /nfs/dbraw/zinc/05/28/31/1115052831.db2.gz DDYZEGCTCHYQPB-HZPDHXFCSA-N 1 3 327.900 2.438 10 30 EEEEHO C[C@H]1[C@H](NCc2ccc(C#N)c(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001507291376 1115176836 /nfs/dbraw/zinc/17/68/36/1115176836.db2.gz VLNXLIRWCJFCKL-KBXCAEBGSA-N 1 3 346.450 2.118 10 30 EEEEHO C=CC[C@]1(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CCC[NH2+]1 ZINC000662682158 472203623 /nfs/dbraw/zinc/20/36/23/472203623.db2.gz HBGDSKHNFCISCG-HXUWFJFHSA-N 1 3 343.471 2.280 10 30 EEEEHO C=CC[C@@]1(C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCC[NH2+]1 ZINC000662819809 472265941 /nfs/dbraw/zinc/26/59/41/472265941.db2.gz OWTPDRQYEDCDGI-ZVDOUQERSA-N 1 3 339.483 2.418 10 30 EEEEHO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001485652827 1191871587 /nfs/dbraw/zinc/87/15/87/1191871587.db2.gz GHFZFLXIMNHYBH-JYJNAYRXSA-N 1 3 339.911 2.440 10 30 EEEEHO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001485652827 1191871590 /nfs/dbraw/zinc/87/15/90/1191871590.db2.gz GHFZFLXIMNHYBH-JYJNAYRXSA-N 1 3 339.911 2.440 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266891388 1177726121 /nfs/dbraw/zinc/72/61/21/1177726121.db2.gz OWWUOUWPVYHQOV-ZWKOTPCHSA-N 1 3 333.520 2.491 10 30 EEEEHO CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266891388 1177726127 /nfs/dbraw/zinc/72/61/27/1177726127.db2.gz OWWUOUWPVYHQOV-ZWKOTPCHSA-N 1 3 333.520 2.491 10 30 EEEEHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC#Cc1ccccc1 ZINC001266960292 1177910882 /nfs/dbraw/zinc/91/08/82/1177910882.db2.gz HNHBSOMZNGQFQM-KRWDZBQOSA-N 1 3 327.472 2.007 10 30 EEEEHO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267685037 1180157666 /nfs/dbraw/zinc/15/76/66/1180157666.db2.gz XDSVTJPFKAOUSG-APWZRJJASA-N 1 3 337.483 2.003 10 30 EEEEHO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267685037 1180157669 /nfs/dbraw/zinc/15/76/69/1180157669.db2.gz XDSVTJPFKAOUSG-APWZRJJASA-N 1 3 337.483 2.003 10 30 EEEEHO C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCN2C(C)C)cc1 ZINC001267937293 1180789622 /nfs/dbraw/zinc/78/96/22/1180789622.db2.gz YGSJUMDCNRCVHG-LJQANCHMSA-N 1 3 327.472 2.289 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC#Cc1ccccc1)[NH+]1CCCC1 ZINC001268716495 1183636174 /nfs/dbraw/zinc/63/61/74/1183636174.db2.gz FDDXAJIDJARSCH-ICSRJNTNSA-N 1 3 341.499 2.253 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CCCC)C2CCCC2)CC1 ZINC001270457786 1185108496 /nfs/dbraw/zinc/10/84/96/1185108496.db2.gz GVXUAYKAXLIOHK-LJQANCHMSA-N 1 3 333.520 2.396 10 30 EEEEHO C=CCC[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000883176075 1202026198 /nfs/dbraw/zinc/02/61/98/1202026198.db2.gz VBIXYEYTBARRKO-BJLQDIEVSA-N 1 3 330.472 2.371 10 30 EEEEHO CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cn2)CC1 ZINC000925610015 1206135619 /nfs/dbraw/zinc/13/56/19/1206135619.db2.gz YCGZCBFZQRADOI-NEWSRXKRSA-N 1 3 339.487 2.288 10 30 EEEEHO C#CCC[NH2+]C1CCC(NC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001491370615 1259009269 /nfs/dbraw/zinc/00/92/69/1259009269.db2.gz UNVLCGFYPCXXNL-UHFFFAOYSA-N 1 3 327.472 2.402 10 30 EEEEHO C#CCN1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001277294270 1302231148 /nfs/dbraw/zinc/23/11/48/1302231148.db2.gz JNZXNRIZIUNGSY-MOPGFXCFSA-N 1 3 331.504 2.199 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]C[C@@H](C)CC)C2)CC1 ZINC001263932920 1322556375 /nfs/dbraw/zinc/55/63/75/1322556375.db2.gz FHUSNFXMYVMVFZ-JENIJYKNSA-N 1 3 333.520 2.252 10 30 EEEEHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001264408663 1322693563 /nfs/dbraw/zinc/69/35/63/1322693563.db2.gz PVSGHHNVZZOWQK-ZCNNSNEGSA-N 1 3 341.499 2.109 10 30 EEEEHO C=C(C)CN[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001284738499 1326690113 /nfs/dbraw/zinc/69/01/13/1326690113.db2.gz YZRQPCZGWAIZTG-KBPBESRZSA-N 1 3 335.414 2.273 10 30 EEEEHO C=C(Br)CN[C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001492027521 1330452708 /nfs/dbraw/zinc/45/27/08/1330452708.db2.gz WYQXRGCUWJBFPP-HZSPNIEDSA-N 1 3 346.313 2.110 10 30 EEEEHO C=C(Br)CN[C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001492027521 1330452711 /nfs/dbraw/zinc/45/27/11/1330452711.db2.gz WYQXRGCUWJBFPP-HZSPNIEDSA-N 1 3 346.313 2.110 10 30 EEEEHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001317090245 1332074876 /nfs/dbraw/zinc/07/48/76/1332074876.db2.gz QKKXNXARVFYBPR-IYARVYRRSA-N 1 3 347.890 2.270 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001317090245 1332074878 /nfs/dbraw/zinc/07/48/78/1332074878.db2.gz QKKXNXARVFYBPR-IYARVYRRSA-N 1 3 347.890 2.270 10 30 EEEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CC3CCC3)CCCC2)CC1 ZINC001318669359 1332574829 /nfs/dbraw/zinc/57/48/29/1332574829.db2.gz CXRBWLJKFDFRPD-UHFFFAOYSA-N 1 3 331.504 2.150 10 30 EEEEHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001319271380 1332673926 /nfs/dbraw/zinc/67/39/26/1332673926.db2.gz ZUIVVKLPAMZYFF-QFBILLFUSA-N 1 3 347.478 2.105 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001325897966 1333987911 /nfs/dbraw/zinc/98/79/11/1333987911.db2.gz HKCIBVBAYHDHBE-QRVBRYPASA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001325897966 1333987912 /nfs/dbraw/zinc/98/79/12/1333987912.db2.gz HKCIBVBAYHDHBE-QRVBRYPASA-N 1 3 349.519 2.129 10 30 EEEEHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NCC#Cc1ccccc1 ZINC001676365137 1357141030 /nfs/dbraw/zinc/14/10/30/1357141030.db2.gz SQOVWZJIFGZXKF-QUCCMNQESA-N 1 3 341.499 2.349 10 30 EEEEHO C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NCC#Cc1ccccc1 ZINC001676365137 1357141032 /nfs/dbraw/zinc/14/10/32/1357141032.db2.gz SQOVWZJIFGZXKF-QUCCMNQESA-N 1 3 341.499 2.349 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001661512056 1354647690 /nfs/dbraw/zinc/64/76/90/1354647690.db2.gz XAGFYHKANBQAFV-QAQDUYKDSA-N 1 3 347.890 2.269 10 30 EEEEHO C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001661554846 1354657422 /nfs/dbraw/zinc/65/74/22/1354657422.db2.gz HDNIYQYPPUMHSR-QZTJIDSGSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CN(C)CC(C)(C)C)C1 ZINC001661554846 1354657427 /nfs/dbraw/zinc/65/74/27/1354657427.db2.gz HDNIYQYPPUMHSR-QZTJIDSGSA-N 1 3 333.520 2.301 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001664111285 1355095182 /nfs/dbraw/zinc/09/51/82/1355095182.db2.gz FIYFZSVSHDLAMN-UHFFFAOYSA-N 1 3 334.489 2.042 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCCC=C)CC1 ZINC001667768695 1355811188 /nfs/dbraw/zinc/81/11/88/1355811188.db2.gz AZTJORMNBFUQFO-RTBURBONSA-N 1 3 331.504 2.172 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C(C)(C)C1 ZINC000940972587 779595775 /nfs/dbraw/zinc/59/57/75/779595775.db2.gz OBFJDWOMNVZZAP-QZTJIDSGSA-N 1 3 333.520 2.348 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940972587 779595783 /nfs/dbraw/zinc/59/57/83/779595783.db2.gz OBFJDWOMNVZZAP-QZTJIDSGSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941075221 779795077 /nfs/dbraw/zinc/79/50/77/779795077.db2.gz ILASYAMJGUFPKI-ZWKOTPCHSA-N 1 3 333.520 2.489 10 30 EEEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCN2C(C)C)C(C)(C)C1 ZINC000941075221 779795081 /nfs/dbraw/zinc/79/50/81/779795081.db2.gz ILASYAMJGUFPKI-ZWKOTPCHSA-N 1 3 333.520 2.489 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001447627683 1102995865 /nfs/dbraw/zinc/99/58/65/1102995865.db2.gz MJIWHDSBKQLIBH-QFBILLFUSA-N 1 3 342.487 2.368 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001447627683 1102995875 /nfs/dbraw/zinc/99/58/75/1102995875.db2.gz MJIWHDSBKQLIBH-QFBILLFUSA-N 1 3 342.487 2.368 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCC(=C)C)C2)CC1 ZINC001480711711 1106936693 /nfs/dbraw/zinc/93/66/93/1106936693.db2.gz ZUKYYNWFWWERHI-OALUTQOASA-N 1 3 331.504 2.315 10 30 EEEEHO CC#CCNCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001568118516 1124312390 /nfs/dbraw/zinc/31/23/90/1124312390.db2.gz WCGUZNAXMDQTLF-LJQANCHMSA-N 1 3 327.472 2.289 10 30 EEEEHO CC#CCNCc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001568118516 1124312395 /nfs/dbraw/zinc/31/23/95/1124312395.db2.gz WCGUZNAXMDQTLF-LJQANCHMSA-N 1 3 327.472 2.289 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCC2CC2)CC1 ZINC001568545444 1124604981 /nfs/dbraw/zinc/60/49/81/1124604981.db2.gz QEXAHMUZWSJKKR-MOPGFXCFSA-N 1 3 331.504 2.006 10 30 EEEEHO CC[C@H](C(=O)N[C@@H](C)CNCC#Cc1ccccc1)[NH+](CC)CC ZINC001569079836 1125085565 /nfs/dbraw/zinc/08/55/65/1125085565.db2.gz PFKNXRLZYPPJHT-PKOBYXMFSA-N 1 3 329.488 2.253 10 30 EEEEHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000171901361 463945298 /nfs/dbraw/zinc/94/52/98/463945298.db2.gz SWIVOBUZYNCXGX-MSOLQXFVSA-N 1 3 334.508 2.175 10 30 EEEEHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C(C)C ZINC000171901361 463945304 /nfs/dbraw/zinc/94/53/04/463945304.db2.gz SWIVOBUZYNCXGX-MSOLQXFVSA-N 1 3 334.508 2.175 10 30 EEEEHO CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000594435418 468585923 /nfs/dbraw/zinc/58/59/23/468585923.db2.gz DVQVIVVECNYHKK-ROUUACIJSA-N 1 3 328.460 2.131 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659450832 471634644 /nfs/dbraw/zinc/63/46/44/471634644.db2.gz YLEFXYVWRGRJHN-SFHVURJKSA-N 1 3 348.535 2.448 10 30 EEEEHO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261957298 682636283 /nfs/dbraw/zinc/63/62/83/682636283.db2.gz JEDLSNWHZUIXMG-SIRPWMCASA-N 1 3 336.524 2.084 10 30 EEEEHO CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001268295234 1182186296 /nfs/dbraw/zinc/18/62/96/1182186296.db2.gz QVGJQKCJRQLTAC-RTBURBONSA-N 1 3 327.472 2.260 10 30 EEEEHO CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001268295231 1182186464 /nfs/dbraw/zinc/18/64/64/1182186464.db2.gz QVGJQKCJRQLTAC-MOPGFXCFSA-N 1 3 327.472 2.260 10 30 EEEEHO CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)N(C)C ZINC001268403146 1182510831 /nfs/dbraw/zinc/51/08/31/1182510831.db2.gz IUPXKSYEXIDRGC-GUYCJALGSA-N 1 3 334.439 2.022 10 30 EEEEHO CN(CCC[NH2+]Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCCCN1C ZINC001268811508 1183730693 /nfs/dbraw/zinc/73/06/93/1183730693.db2.gz NXRUSAHNMWEDGV-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001269730381 1184565522 /nfs/dbraw/zinc/56/55/22/1184565522.db2.gz OFAJMSZSWKSRBS-SFHVURJKSA-N 1 3 333.520 2.493 10 30 EEEEHO C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271110140 1185893064 /nfs/dbraw/zinc/89/30/64/1185893064.db2.gz QTVHKNUSLOOJFB-HZPDHXFCSA-N 1 3 343.462 2.366 10 30 EEEEHO Cc1c(C[C@@H](C[NH3+])CNC2(c3ccc(C#N)cc3)CCC2)cnn1C ZINC000903931853 1242549950 /nfs/dbraw/zinc/54/99/50/1242549950.db2.gz JUGNKLGJOQPTMI-KRWDZBQOSA-N 1 3 337.471 2.387 10 30 EEEEHO CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(CCO[C@H](C)C#N)C2)ccn1 ZINC000856603706 1293579628 /nfs/dbraw/zinc/57/96/28/1293579628.db2.gz DGEWJQRTARTGPV-VQIMIIECSA-N 1 3 346.475 2.304 10 30 EEEEHO CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(CCO[C@H](C)C#N)C2)ccn1 ZINC000856603706 1293579630 /nfs/dbraw/zinc/57/96/30/1293579630.db2.gz DGEWJQRTARTGPV-VQIMIIECSA-N 1 3 346.475 2.304 10 30 EEEEHO CC#CCN1CCC2(C[C@H]2NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001265335699 1323083177 /nfs/dbraw/zinc/08/31/77/1323083177.db2.gz DXTHPBUOIWLSRM-GOSISDBHSA-N 1 3 331.504 2.247 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001266192546 1323756179 /nfs/dbraw/zinc/75/61/79/1323756179.db2.gz YAXBFSYIIKMXRN-QGZVFWFLSA-N 1 3 333.520 2.396 10 30 EEEEHO CC[C@H](C(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001283260856 1325976716 /nfs/dbraw/zinc/97/67/16/1325976716.db2.gz POZCRWPUKCRFBO-QFBILLFUSA-N 1 3 347.478 2.392 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@](C)(C[NH2+]CCC(=C)C)C2CC2)CC1 ZINC001318727633 1332584215 /nfs/dbraw/zinc/58/42/15/1332584215.db2.gz LWORSAQMWGRZBX-HXUWFJFHSA-N 1 3 331.504 2.172 10 30 EEEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCCCCC)CC1 ZINC001324426587 1333680506 /nfs/dbraw/zinc/68/05/06/1333680506.db2.gz LSDWBJUDVMNVRS-UHFFFAOYSA-N 1 3 330.476 2.459 10 30 EEEEHO CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001332138584 1335740059 /nfs/dbraw/zinc/74/00/59/1335740059.db2.gz ATQNUMDOFLKIMI-GUDVDZBRSA-N 1 3 345.531 2.491 10 30 EEEEHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C[C@H]1C ZINC001671252648 1354026639 /nfs/dbraw/zinc/02/66/39/1354026639.db2.gz ZYQFOWPVEGXDPC-QUCCMNQESA-N 1 3 341.499 2.349 10 30 EEEEHO CCCN(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001672326216 1356501675 /nfs/dbraw/zinc/50/16/75/1356501675.db2.gz BAMNWZLWCVDGLZ-ICSRJNTNSA-N 1 3 341.499 2.064 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=C)C)CC2(C)C)CC1 ZINC000941237930 780226579 /nfs/dbraw/zinc/22/65/79/780226579.db2.gz SVXLTHXBHKSUIA-GOSISDBHSA-N 1 3 331.504 2.124 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=C)C)CC2(C)C)CC1 ZINC000941237930 780226588 /nfs/dbraw/zinc/22/65/88/780226588.db2.gz SVXLTHXBHKSUIA-GOSISDBHSA-N 1 3 331.504 2.124 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001444797769 1099712288 /nfs/dbraw/zinc/71/22/88/1099712288.db2.gz WQXPRVXQZBLNMU-VQIMIIECSA-N 1 3 342.487 2.225 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccc(F)c(C#N)c2)CC[N@@H+]1C ZINC001480463737 1100269338 /nfs/dbraw/zinc/26/93/38/1100269338.db2.gz HBONPILLANVACC-QANKJYHBSA-N 1 3 346.450 2.022 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC001480463737 1100269345 /nfs/dbraw/zinc/26/93/45/1100269345.db2.gz HBONPILLANVACC-QANKJYHBSA-N 1 3 346.450 2.022 10 30 EEEEHO C[C@H](CCNCc1cc(C#N)ccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497257996 1102206780 /nfs/dbraw/zinc/20/67/80/1102206780.db2.gz ZTVPVIWECRMUJR-CQSZACIVSA-N 1 3 346.450 2.024 10 30 EEEEHO C#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001499530545 1112347006 /nfs/dbraw/zinc/34/70/06/1112347006.db2.gz SOSMXXCZRGLPDY-LJQANCHMSA-N 1 3 331.504 2.197 10 30 EEEEHO C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001499530545 1112347012 /nfs/dbraw/zinc/34/70/12/1112347012.db2.gz SOSMXXCZRGLPDY-LJQANCHMSA-N 1 3 331.504 2.197 10 30 EEEEHO CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](F)CN(CC)CC)C2)C1 ZINC001499570769 1112374891 /nfs/dbraw/zinc/37/48/91/1112374891.db2.gz UYQVZXXLPWJECR-IEBWSBKVSA-N 1 3 337.483 2.004 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](F)CN(CC)CC)C2)C1 ZINC001499570769 1112374896 /nfs/dbraw/zinc/37/48/96/1112374896.db2.gz UYQVZXXLPWJECR-IEBWSBKVSA-N 1 3 337.483 2.004 10 30 EEEEHO CCCCCCNC(=[NH2+])NCC1(N2CCCCC2)CCN(C)CC1 ZINC000304800368 466317877 /nfs/dbraw/zinc/31/78/77/466317877.db2.gz OMBOAWRMKVRLHG-UHFFFAOYSA-N 1 3 337.556 2.421 10 30 EEEEHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCCCC#N ZINC000594436345 468586120 /nfs/dbraw/zinc/58/61/20/468586120.db2.gz DFMZMPSYQAEVCQ-OALUTQOASA-N 1 3 342.487 2.378 10 30 EEEEHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCCCC#N ZINC000594436345 468586125 /nfs/dbraw/zinc/58/61/25/468586125.db2.gz DFMZMPSYQAEVCQ-OALUTQOASA-N 1 3 342.487 2.378 10 30 EEEEHO CN(C[C@@H](O)CC1(C#N)CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302798 469200986 /nfs/dbraw/zinc/20/09/86/469200986.db2.gz KIIUADKVJSFZRZ-MOPGFXCFSA-N 1 3 327.472 2.495 10 30 EEEEHO CN(C[C@@H](O)CC1(C#N)CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302798 469200992 /nfs/dbraw/zinc/20/09/92/469200992.db2.gz KIIUADKVJSFZRZ-MOPGFXCFSA-N 1 3 327.472 2.495 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C(C)C ZINC000669385709 471471707 /nfs/dbraw/zinc/47/17/07/471471707.db2.gz PEJSJRSXALMHOL-UYAOXDASSA-N 1 3 348.535 2.470 10 30 EEEEHO CC[NH+]=C(NCC1(O)CCCCC1)N[C@H]1CCN(C2CCCC2)C1 ZINC000085146264 528803905 /nfs/dbraw/zinc/80/39/05/528803905.db2.gz REWDIEWUCIUBPV-INIZCTEOSA-N 1 3 336.524 2.254 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001266994346 1178052635 /nfs/dbraw/zinc/05/26/35/1178052635.db2.gz LPJIBXPOHPOVHB-QZTJIDSGSA-N 1 3 341.499 2.496 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001267390955 1178956804 /nfs/dbraw/zinc/95/68/04/1178956804.db2.gz XDCQEZSFIOIORO-YOEHRIQHSA-N 1 3 346.500 2.185 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001267390955 1178956811 /nfs/dbraw/zinc/95/68/11/1178956811.db2.gz XDCQEZSFIOIORO-YOEHRIQHSA-N 1 3 346.500 2.185 10 30 EEEEHO C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267565144 1179371657 /nfs/dbraw/zinc/37/16/57/1179371657.db2.gz JOJFFSXVUJTGHN-CRAIPNDOSA-N 1 3 325.472 2.213 10 30 EEEEHO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267565144 1179371663 /nfs/dbraw/zinc/37/16/63/1179371663.db2.gz JOJFFSXVUJTGHN-CRAIPNDOSA-N 1 3 325.472 2.213 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001481988998 1183094110 /nfs/dbraw/zinc/09/41/10/1183094110.db2.gz WLELPPFYKZKDIG-JKSUJKDBSA-N 1 3 327.900 2.299 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001481988998 1183094115 /nfs/dbraw/zinc/09/41/15/1183094115.db2.gz WLELPPFYKZKDIG-JKSUJKDBSA-N 1 3 327.900 2.299 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001268543577 1183215934 /nfs/dbraw/zinc/21/59/34/1183215934.db2.gz WLBZANQXEWJARH-ZRHASKPBSA-N 1 3 340.471 2.193 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001268543577 1183215936 /nfs/dbraw/zinc/21/59/36/1183215936.db2.gz WLBZANQXEWJARH-ZRHASKPBSA-N 1 3 340.471 2.193 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CC2CCC(C)CC2)CC1 ZINC001268673882 1183600994 /nfs/dbraw/zinc/60/09/94/1183600994.db2.gz LXSUETUNHAYIJB-LXPRWKDFSA-N 1 3 333.520 2.252 10 30 EEEEHO CC(C)C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482397630 1185606783 /nfs/dbraw/zinc/60/67/83/1185606783.db2.gz BVSVYYINRALYLA-UXHICEINSA-N 1 3 341.499 2.110 10 30 EEEEHO CC(C)C[C@@H](CNCC#Cc1ccccc1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482397630 1185606786 /nfs/dbraw/zinc/60/67/86/1185606786.db2.gz BVSVYYINRALYLA-UXHICEINSA-N 1 3 341.499 2.110 10 30 EEEEHO C[C@H](CCNCc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272784442 1193496947 /nfs/dbraw/zinc/49/69/47/1193496947.db2.gz UXJLFVOPLGHJBU-CKEIUWERSA-N 1 3 346.450 2.022 10 30 EEEEHO C[C@H](CCNCc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272784442 1193496949 /nfs/dbraw/zinc/49/69/49/1193496949.db2.gz UXJLFVOPLGHJBU-CKEIUWERSA-N 1 3 346.450 2.022 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC001483198560 1189094260 /nfs/dbraw/zinc/09/42/60/1189094260.db2.gz UZAFTRXORHZWRE-MRXNPFEDSA-N 1 3 345.462 2.074 10 30 EEEEHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccc(C#N)s1 ZINC001485913949 1193638131 /nfs/dbraw/zinc/63/81/31/1193638131.db2.gz IFKSGLSVXOMDAK-ILXRZTDVSA-N 1 3 348.516 2.287 10 30 EEEEHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccc(C#N)s1 ZINC001485913949 1193638133 /nfs/dbraw/zinc/63/81/33/1193638133.db2.gz IFKSGLSVXOMDAK-ILXRZTDVSA-N 1 3 348.516 2.287 10 30 EEEEHO C[C@H]1CC[C@H](C)N1CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001483793299 1191032902 /nfs/dbraw/zinc/03/29/02/1191032902.db2.gz ANHTYDXJAKUZRW-HOTGVXAUSA-N 1 3 340.471 2.169 10 30 EEEEHO C=C(C)CC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCOCC1 ZINC001484186409 1191264503 /nfs/dbraw/zinc/26/45/03/1191264503.db2.gz XHHMQUKERCUWAR-UHFFFAOYSA-N 1 3 337.508 2.082 10 30 EEEEHO CC(C)N(C)CC(=O)N(C)[C@@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001410330385 1197713854 /nfs/dbraw/zinc/71/38/54/1197713854.db2.gz PSQFZVIDUOJJEU-KRWDZBQOSA-N 1 3 348.516 2.287 10 30 EEEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000876723292 1199740230 /nfs/dbraw/zinc/74/02/30/1199740230.db2.gz RUZDACOUSQTDCQ-MRXNPFEDSA-N 1 3 335.879 2.409 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000876767321 1199765145 /nfs/dbraw/zinc/76/51/45/1199765145.db2.gz GPQHHFQUHQDIGP-COXVUDFISA-N 1 3 335.879 2.483 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000876767321 1199765147 /nfs/dbraw/zinc/76/51/47/1199765147.db2.gz GPQHHFQUHQDIGP-COXVUDFISA-N 1 3 335.879 2.483 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001275150033 1205268107 /nfs/dbraw/zinc/26/81/07/1205268107.db2.gz USHPWKRSIKZCTB-PKOBYXMFSA-N 1 3 327.472 2.005 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001275150033 1205268108 /nfs/dbraw/zinc/26/81/08/1205268108.db2.gz USHPWKRSIKZCTB-PKOBYXMFSA-N 1 3 327.472 2.005 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CC2CCC2)CC1 ZINC001037123394 1213914127 /nfs/dbraw/zinc/91/41/27/1213914127.db2.gz UUGSIURQFHXYKA-RTBURBONSA-N 1 3 331.504 2.006 10 30 EEEEHO Cc1c(C[C@@H](CN)C[NH2+]C(C)(C)Cc2ccc(C#N)cc2)cnn1C ZINC000903987438 1242884139 /nfs/dbraw/zinc/88/41/39/1242884139.db2.gz GHELWNOABLJOBS-SFHVURJKSA-N 1 3 339.487 2.329 10 30 EEEEHO CC#CCN(C)CCCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001273560473 1279885150 /nfs/dbraw/zinc/88/51/50/1279885150.db2.gz OLDIVLBFSMGIQU-UHFFFAOYSA-N 1 3 329.488 2.208 10 30 EEEEHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC#Cc1ccccc1 ZINC001277914270 1305076357 /nfs/dbraw/zinc/07/63/57/1305076357.db2.gz MWKRQMHRZNITDP-BJLQDIEVSA-N 1 3 341.499 2.205 10 30 EEEEHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC#Cc1ccccc1 ZINC001277914270 1305076364 /nfs/dbraw/zinc/07/63/64/1305076364.db2.gz MWKRQMHRZNITDP-BJLQDIEVSA-N 1 3 341.499 2.205 10 30 EEEEHO C=CC[NH+]1CCC(C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001278079473 1305880659 /nfs/dbraw/zinc/88/06/59/1305880659.db2.gz IUIBGSVKMSMMTH-SFHVURJKSA-N 1 3 325.472 2.356 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)CC1 ZINC001120028258 1309287964 /nfs/dbraw/zinc/28/79/64/1309287964.db2.gz ZKTFOYCUSJAJHD-SCTDSRPQSA-N 1 3 348.535 2.399 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001263851356 1322536836 /nfs/dbraw/zinc/53/68/36/1322536836.db2.gz GDYNTBXKPRXKCY-PUZFROQSSA-N 1 3 345.531 2.396 10 30 EEEEHO C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001281588045 1325326989 /nfs/dbraw/zinc/32/69/89/1325326989.db2.gz ZIMOTUFFKYFPCM-UHFFFAOYSA-N 1 3 338.455 2.288 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC(CC)CC)C2)CC1 ZINC001316642118 1327234971 /nfs/dbraw/zinc/23/49/71/1327234971.db2.gz QPQPLKBEWZRSBE-UAPYVXQJSA-N 1 3 333.520 2.252 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001567021584 1342681002 /nfs/dbraw/zinc/68/10/02/1342681002.db2.gz MDDYUZSDKHWIOX-PKOBYXMFSA-N 1 3 327.472 2.007 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001567021584 1342681005 /nfs/dbraw/zinc/68/10/05/1342681005.db2.gz MDDYUZSDKHWIOX-PKOBYXMFSA-N 1 3 327.472 2.007 10 30 EEEEHO CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001569705741 1342927633 /nfs/dbraw/zinc/92/76/33/1342927633.db2.gz XKHVRJNCZXYJQU-SFHVURJKSA-N 1 3 333.520 2.491 10 30 EEEEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001664392142 1355152902 /nfs/dbraw/zinc/15/29/02/1355152902.db2.gz YLMSVRSDDNXHAO-HUUCEWRRSA-N 1 3 346.450 2.118 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001669572067 1356177208 /nfs/dbraw/zinc/17/72/08/1356177208.db2.gz MBRWNGTVHNPXNF-HKUYNNGSSA-N 1 3 327.472 2.007 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001669572067 1356177211 /nfs/dbraw/zinc/17/72/11/1356177211.db2.gz MBRWNGTVHNPXNF-HKUYNNGSSA-N 1 3 327.472 2.007 10 30 EEEEHO C#CC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CCCC1 ZINC001699797020 1405489217 /nfs/dbraw/zinc/48/92/17/1405489217.db2.gz SASHRBWYBZJILB-VQIMIIECSA-N 1 3 337.483 2.097 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440928405 1094180057 /nfs/dbraw/zinc/18/00/57/1094180057.db2.gz JIZJYDZDQSUBMZ-LPHOPBHVSA-N 1 3 342.487 2.369 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440928405 1094180060 /nfs/dbraw/zinc/18/00/60/1094180060.db2.gz JIZJYDZDQSUBMZ-LPHOPBHVSA-N 1 3 342.487 2.369 10 30 EEEEHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccc(C#N)c(F)c1 ZINC001441858976 1095958019 /nfs/dbraw/zinc/95/80/19/1095958019.db2.gz JSWODMZVJCHGLY-RHSMWYFYSA-N 1 3 346.450 2.166 10 30 EEEEHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccc(C#N)c(F)c1 ZINC001441858976 1095958025 /nfs/dbraw/zinc/95/80/25/1095958025.db2.gz JSWODMZVJCHGLY-RHSMWYFYSA-N 1 3 346.450 2.166 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@](C)(CNCc1cc(C#N)ccc1F)C1CC1 ZINC001444122892 1098656295 /nfs/dbraw/zinc/65/62/95/1098656295.db2.gz DOMGNBXAGSLZGF-LJQANCHMSA-N 1 3 346.450 2.024 10 30 EEEEHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C1 ZINC001480168816 1099745304 /nfs/dbraw/zinc/74/53/04/1099745304.db2.gz ZMVBXTGGKVAPQG-IYARVYRRSA-N 1 3 347.890 2.270 10 30 EEEEHO CC(C)N(C)CC(=O)NC1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001480412155 1100230038 /nfs/dbraw/zinc/23/00/38/1100230038.db2.gz AKVVTUTUMOSBFI-UHFFFAOYSA-N 1 3 342.487 2.415 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001480492445 1100304900 /nfs/dbraw/zinc/30/49/00/1100304900.db2.gz KLPBFRHICBWKDV-WMLDXEAASA-N 1 3 348.516 2.334 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCc1ccc(C#N)s1 ZINC001480492445 1100304908 /nfs/dbraw/zinc/30/49/08/1100304908.db2.gz KLPBFRHICBWKDV-WMLDXEAASA-N 1 3 348.516 2.334 10 30 EEEEHO C=C(Br)C[NH2+]C1(C)CCN(C(=O)[C@@H](CC)N(C)C)CC1 ZINC001447548289 1102840277 /nfs/dbraw/zinc/84/02/77/1102840277.db2.gz YERPRTJIRXTIFE-CYBMUJFWSA-N 1 3 346.313 2.206 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001448031929 1103841861 /nfs/dbraw/zinc/84/18/61/1103841861.db2.gz FMYYVQOQAZDGED-LPHOPBHVSA-N 1 3 342.487 2.369 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC001448031929 1103841874 /nfs/dbraw/zinc/84/18/74/1103841874.db2.gz FMYYVQOQAZDGED-LPHOPBHVSA-N 1 3 342.487 2.369 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cccc(CC)c2)CC1 ZINC001497989931 1106744865 /nfs/dbraw/zinc/74/48/65/1106744865.db2.gz HGFJIAYNKPHESO-QGZVFWFLSA-N 1 3 341.499 2.189 10 30 EEEEHO CN(CCC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCCCN1C ZINC001498568039 1107734724 /nfs/dbraw/zinc/73/47/24/1107734724.db2.gz NXTLAVDJVVHLIR-GOSISDBHSA-N 1 3 346.450 2.120 10 30 EEEEHO C#CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1CC ZINC001498888920 1108280860 /nfs/dbraw/zinc/28/08/60/1108280860.db2.gz ILOFPGNVXZMJTQ-MSOLQXFVSA-N 1 3 333.520 2.491 10 30 EEEEHO C=C(Cl)CNCC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001505503893 1114027189 /nfs/dbraw/zinc/02/71/89/1114027189.db2.gz ZBWKBHHAEWPKNN-UHFFFAOYSA-N 1 3 325.884 2.099 10 30 EEEEHO C[C@@H]1[C@@H](NCc2ccc(C#N)s2)CCN1C(=O)CCCC[NH+](C)C ZINC001507294496 1115178519 /nfs/dbraw/zinc/17/85/19/1115178519.db2.gz ZTXPVOZOULJFNI-PBHICJAKSA-N 1 3 348.516 2.431 10 30 EEEEHO C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001507358785 1115220027 /nfs/dbraw/zinc/22/00/27/1115220027.db2.gz VGQNOZCIHWKXNU-GBESFXJTSA-N 1 3 345.531 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C)CC1 ZINC001508037406 1115397836 /nfs/dbraw/zinc/39/78/36/1115397836.db2.gz SZMSYZDFLLUHOZ-SFHVURJKSA-N 1 3 335.536 2.498 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001568291192 1124407564 /nfs/dbraw/zinc/40/75/64/1124407564.db2.gz DPNWGYVJAPVULO-SFHVURJKSA-N 1 3 341.499 2.349 10 30 EEEEHO C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001568393374 1124463621 /nfs/dbraw/zinc/46/36/21/1124463621.db2.gz KRIMVNWVLVYSBU-LPHOPBHVSA-N 1 3 337.483 2.193 10 30 EEEEHO CC[NH+]=C(NCc1ncccc1C)N[C@@H]1CCN(C2CCCC2)C1 ZINC000097013642 693254712 /nfs/dbraw/zinc/25/47/12/693254712.db2.gz VRAQNGBUDRPIEJ-MRXNPFEDSA-N 1 3 329.492 2.462 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CC2CC(C)(C)C2)C2CC2)CC1 ZINC001266444769 1176543717 /nfs/dbraw/zinc/54/37/17/1176543717.db2.gz DSIVDWXLGTYQQA-LJQANCHMSA-N 1 3 345.531 2.252 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]Cc2c(C)cccc2C)CC1 ZINC001772517076 1176571180 /nfs/dbraw/zinc/57/11/80/1176571180.db2.gz CWQQPUVKVOMKFS-SFHVURJKSA-N 1 3 341.499 2.243 10 30 EEEEHO C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001267491544 1179165320 /nfs/dbraw/zinc/16/53/20/1179165320.db2.gz JLDJCDBJJINCIO-DNVCBOLYSA-N 1 3 337.483 2.049 10 30 EEEEHO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267685040 1180157957 /nfs/dbraw/zinc/15/79/57/1180157957.db2.gz XDSVTJPFKAOUSG-VQIMIIECSA-N 1 3 337.483 2.003 10 30 EEEEHO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001267685040 1180157960 /nfs/dbraw/zinc/15/79/60/1180157960.db2.gz XDSVTJPFKAOUSG-VQIMIIECSA-N 1 3 337.483 2.003 10 30 EEEEHO CC#CC[N@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001481354525 1181105531 /nfs/dbraw/zinc/10/55/31/1181105531.db2.gz ILYVNAVAKWHFML-IBGZPJMESA-N 1 3 339.499 2.439 10 30 EEEEHO CC#CC[N@@H+](CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001481354525 1181105534 /nfs/dbraw/zinc/10/55/34/1181105534.db2.gz ILYVNAVAKWHFML-IBGZPJMESA-N 1 3 339.499 2.439 10 30 EEEEHO C#CCCN[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001481365952 1181134323 /nfs/dbraw/zinc/13/43/23/1181134323.db2.gz UUDJXDHONXATTE-OALUTQOASA-N 1 3 327.472 2.331 10 30 EEEEHO C#CCCN[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001481365952 1181134328 /nfs/dbraw/zinc/13/43/28/1181134328.db2.gz UUDJXDHONXATTE-OALUTQOASA-N 1 3 327.472 2.331 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001268630917 1183556318 /nfs/dbraw/zinc/55/63/18/1183556318.db2.gz SMLLBVJYBWPUPS-PHWHVTFISA-N 1 3 340.471 2.195 10 30 EEEEHO C=C(Br)C[NH2+]CCCN(C)C(=O)[C@H]1CCCCN1CC ZINC001268958544 1183851605 /nfs/dbraw/zinc/85/16/05/1183851605.db2.gz LQJQJWBYPNMKDN-CQSZACIVSA-N 1 3 346.313 2.208 10 30 EEEEHO C#CCN1CCC2(CN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)CC1 ZINC001272810187 1193534427 /nfs/dbraw/zinc/53/44/27/1193534427.db2.gz DQYWOKLHGPPXBY-UHFFFAOYSA-N 1 3 331.504 2.199 10 30 EEEEHO C#CCN1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)CC1 ZINC001272810187 1193534431 /nfs/dbraw/zinc/53/44/31/1193534431.db2.gz DQYWOKLHGPPXBY-UHFFFAOYSA-N 1 3 331.504 2.199 10 30 EEEEHO CC#CCN1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001272826291 1193565065 /nfs/dbraw/zinc/56/50/65/1193565065.db2.gz RDMHCDYUPCBBNE-UHFFFAOYSA-N 1 3 331.504 2.200 10 30 EEEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000876723291 1199739701 /nfs/dbraw/zinc/73/97/01/1199739701.db2.gz RUZDACOUSQTDCQ-INIZCTEOSA-N 1 3 335.879 2.409 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000876735642 1199747415 /nfs/dbraw/zinc/74/74/15/1199747415.db2.gz ALMKUAGHVOYDEW-QGZVFWFLSA-N 1 3 335.879 2.485 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@@H+](CC(=C)C)C2)CC1 ZINC001278692956 1317755174 /nfs/dbraw/zinc/75/51/74/1317755174.db2.gz CCZIKGFYDSILEL-HXUWFJFHSA-N 1 3 331.504 2.126 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](CC(=C)C)C2)CC1 ZINC001278692956 1317755178 /nfs/dbraw/zinc/75/51/78/1317755178.db2.gz CCZIKGFYDSILEL-HXUWFJFHSA-N 1 3 331.504 2.126 10 30 EEEEHO CC#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001266088063 1323645883 /nfs/dbraw/zinc/64/58/83/1323645883.db2.gz KXNPAJTXSGXXSL-HXUWFJFHSA-N 1 3 341.499 2.333 10 30 EEEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C(F)(F)F ZINC001284364643 1326521557 /nfs/dbraw/zinc/52/15/57/1326521557.db2.gz RMNCEQFYKDKCTE-UONOGXRCSA-N 1 3 347.425 2.273 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001317034995 1332052383 /nfs/dbraw/zinc/05/23/83/1332052383.db2.gz QQTCTVYGWPESNV-FQEVSTJZSA-N 1 3 343.515 2.316 10 30 EEEEHO C=CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317384499 1332209457 /nfs/dbraw/zinc/20/94/57/1332209457.db2.gz XHBGZYMRECKBFK-QGZVFWFLSA-N 1 3 339.524 2.090 10 30 EEEEHO C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)CN(C)CC(C)(C)C)C1 ZINC001317384499 1332209461 /nfs/dbraw/zinc/20/94/61/1332209461.db2.gz XHBGZYMRECKBFK-QGZVFWFLSA-N 1 3 339.524 2.090 10 30 EEEEHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001326225213 1334048248 /nfs/dbraw/zinc/04/82/48/1334048248.db2.gz SQSGAHXFUGVQMI-RHSMWYFYSA-N 1 3 346.500 2.042 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328098611 1334395827 /nfs/dbraw/zinc/39/58/27/1334395827.db2.gz PDBJRPPIDPQCRW-MSOLQXFVSA-N 1 3 333.520 2.347 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2ccccc2F)CC1 ZINC001328459806 1334461804 /nfs/dbraw/zinc/46/18/04/1334461804.db2.gz UUGPHDOXXBKIDQ-INIZCTEOSA-N 1 3 345.462 2.155 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+](C[C@H](C)CC(C)C)C2)CC1 ZINC001506678559 1342311517 /nfs/dbraw/zinc/31/15/17/1342311517.db2.gz JPTOGBQZJCYFEW-QZTJIDSGSA-N 1 3 347.547 2.450 10 30 EEEEHO C[C@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567208619 1342712195 /nfs/dbraw/zinc/71/21/95/1342712195.db2.gz RTBDSKFICGDKNX-QAPCUYQASA-N 1 3 347.890 2.270 10 30 EEEEHO CC#CCN1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001676821123 1357213939 /nfs/dbraw/zinc/21/39/39/1357213939.db2.gz RFFGSYJKMOTMIX-ICSRJNTNSA-N 1 3 331.504 2.389 10 30 EEEEHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1Cl)N(C)C ZINC001698767274 1405051898 /nfs/dbraw/zinc/05/18/98/1405051898.db2.gz DKNVRXNCZRCBEW-QAPCUYQASA-N 1 3 349.906 2.374 10 30 EEEEHO C#CCN(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CCN(C)CC1 ZINC000914078584 794839182 /nfs/dbraw/zinc/83/91/82/794839182.db2.gz FIXFIVYPDLINIU-ROUUACIJSA-N 1 3 348.535 2.093 10 30 EEEEHO C#CCN(C(=O)NC[C@H]1CCCC[N@H+]1CCCC)C1CCN(C)CC1 ZINC000917578912 798286549 /nfs/dbraw/zinc/28/65/49/798286549.db2.gz ZJSJQMSGSYNTOG-LJQANCHMSA-N 1 3 348.535 2.380 10 30 EEEEHO C#CCN(C(=O)NC[C@H]1CCCC[N@@H+]1CCCC)C1CCN(C)CC1 ZINC000917578912 798286555 /nfs/dbraw/zinc/28/65/55/798286555.db2.gz ZJSJQMSGSYNTOG-LJQANCHMSA-N 1 3 348.535 2.380 10 30 EEEEHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001438851134 1091488480 /nfs/dbraw/zinc/48/84/80/1091488480.db2.gz QBNZRQFZRUXSER-SFHVURJKSA-N 1 3 348.466 2.268 10 30 EEEEHO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001480085542 1099639642 /nfs/dbraw/zinc/63/96/42/1099639642.db2.gz QPZWCKJBNCSLCT-RBUKOAKNSA-N 1 3 333.520 2.443 10 30 EEEEHO CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001480085542 1099639644 /nfs/dbraw/zinc/63/96/44/1099639644.db2.gz QPZWCKJBNCSLCT-RBUKOAKNSA-N 1 3 333.520 2.443 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001480472059 1100279199 /nfs/dbraw/zinc/27/91/99/1100279199.db2.gz MRKQNJQTIJIIML-QFBILLFUSA-N 1 3 345.462 2.146 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001480472059 1100279205 /nfs/dbraw/zinc/27/92/05/1100279205.db2.gz MRKQNJQTIJIIML-QFBILLFUSA-N 1 3 345.462 2.146 10 30 EEEEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001494082368 1103493141 /nfs/dbraw/zinc/49/31/41/1103493141.db2.gz FAOUGIJFYVBNNY-QGZVFWFLSA-N 1 3 342.487 2.227 10 30 EEEEHO CC(C)N(C)CC(=O)NCC[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001494082368 1103493143 /nfs/dbraw/zinc/49/31/43/1103493143.db2.gz FAOUGIJFYVBNNY-QGZVFWFLSA-N 1 3 342.487 2.227 10 30 EEEEHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001495004153 1104646825 /nfs/dbraw/zinc/64/68/25/1104646825.db2.gz UDHACCGOAPONBA-MRXNPFEDSA-N 1 3 346.450 2.166 10 30 EEEEHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001479424736 1110695139 /nfs/dbraw/zinc/69/51/39/1110695139.db2.gz KLLGLLKPLHFKKB-XUVXKRRUSA-N 1 3 341.499 2.180 10 30 EEEEHO C#CCCN1CCc2c(CNC(=O)CC[N@@H+](C)CCC)cccc2C1 ZINC001501856844 1113499664 /nfs/dbraw/zinc/49/96/64/1113499664.db2.gz JLPFDIRZAUHYNW-UHFFFAOYSA-N 1 3 341.499 2.416 10 30 EEEEHO C#CCCN1CCc2c(CNC(=O)CC[N@H+](C)CCC)cccc2C1 ZINC001501856844 1113499665 /nfs/dbraw/zinc/49/96/65/1113499665.db2.gz JLPFDIRZAUHYNW-UHFFFAOYSA-N 1 3 341.499 2.416 10 30 EEEEHO C[C@@H](CCCNCc1ccccc1C#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001506938061 1114987867 /nfs/dbraw/zinc/98/78/67/1114987867.db2.gz JXKKVSCYIOOTDR-SJORKVTESA-N 1 3 342.487 2.275 10 30 EEEEHO C[C@@H](CCCNCc1ccccc1C#N)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001506938061 1114987870 /nfs/dbraw/zinc/98/78/70/1114987870.db2.gz JXKKVSCYIOOTDR-SJORKVTESA-N 1 3 342.487 2.275 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1)N(C)C ZINC001569258820 1125200674 /nfs/dbraw/zinc/20/06/74/1125200674.db2.gz KXKPWSJJCQQDSC-LJQANCHMSA-N 1 3 329.488 2.062 10 30 EEEEHO CC(C)C[C@H](N[C@H]1CCc2ccc(C#N)cc21)C(=O)NCC[NH+](C)C ZINC000353659269 466046219 /nfs/dbraw/zinc/04/62/19/466046219.db2.gz QEBPSJFTTPVCQA-OALUTQOASA-N 1 3 342.487 2.228 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000594441901 468588761 /nfs/dbraw/zinc/58/87/61/468588761.db2.gz YAWMDXCBIKMZSO-GOSISDBHSA-N 1 3 328.460 2.310 10 30 EEEEHO N#CC1(C[C@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000599335348 469216272 /nfs/dbraw/zinc/21/62/72/469216272.db2.gz SVHYGLGEZKKCOX-NEWSRXKRSA-N 1 3 347.503 2.006 10 30 EEEEHO N#CC1(C[C@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000599335348 469216276 /nfs/dbraw/zinc/21/62/76/469216276.db2.gz SVHYGLGEZKKCOX-NEWSRXKRSA-N 1 3 347.503 2.006 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000626937849 469762740 /nfs/dbraw/zinc/76/27/40/469762740.db2.gz WJKNSKNYWPJSNE-SJORKVTESA-N 1 3 334.508 2.269 10 30 EEEEHO C=CC[C@@]1(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CCC[NH2+]1 ZINC000662799935 472257094 /nfs/dbraw/zinc/25/70/94/472257094.db2.gz AXHJGHYWJMSOGW-JXFKEZNVSA-N 1 3 342.487 2.422 10 30 EEEEHO CC(C)N(CC#Cc1ccccc1)CCCNC(=O)CC[NH+](C)C ZINC001267319842 1178749969 /nfs/dbraw/zinc/74/99/69/1178749969.db2.gz UVNWRZJUHBDZSG-UHFFFAOYSA-N 1 3 329.488 2.207 10 30 EEEEHO CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC#Cc1ccccc1 ZINC001481839559 1182782834 /nfs/dbraw/zinc/78/28/34/1182782834.db2.gz WWEJJRXQWBVWOD-LJQANCHMSA-N 1 3 341.499 2.397 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483260959 1190285972 /nfs/dbraw/zinc/28/59/72/1190285972.db2.gz QUPJSNBJEAIDEF-HNNXBMFYSA-N 1 3 347.890 2.128 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001485228577 1191698532 /nfs/dbraw/zinc/69/85/32/1191698532.db2.gz DLXVQXPLSFMLHL-IAGOWNOFSA-N 1 3 327.472 2.015 10 30 EEEEHO C#CCN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CCN(C)CC1 ZINC000886577303 1202526264 /nfs/dbraw/zinc/52/62/64/1202526264.db2.gz CVVXLZPAJLASSD-UHFFFAOYSA-N 1 3 339.483 2.452 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001037123390 1213913236 /nfs/dbraw/zinc/91/32/36/1213913236.db2.gz UUGSIURQFHXYKA-OALUTQOASA-N 1 3 331.504 2.006 10 30 EEEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1Cl ZINC000305082764 1216144722 /nfs/dbraw/zinc/14/47/22/1216144722.db2.gz MWLAFVHGBUSGIP-CQSZACIVSA-N 1 3 338.883 2.280 10 30 EEEEHO CC#CCN1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001490609818 1291521003 /nfs/dbraw/zinc/52/10/03/1291521003.db2.gz LSZRYCYXWJQIMX-SFHVURJKSA-N 1 3 331.504 2.247 10 30 EEEEHO C=CCN1CCC2(CN(C(=O)c3ccccc3CC[NH+](C)C)C2)C1 ZINC001253539664 1317879163 /nfs/dbraw/zinc/87/91/63/1317879163.db2.gz VVAMPIULRGVMEJ-UHFFFAOYSA-N 1 3 327.472 2.125 10 30 EEEEHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2Cl)C1 ZINC001265501859 1323185284 /nfs/dbraw/zinc/18/52/84/1323185284.db2.gz SQGUOGOJUSRQLA-QAQDUYKDSA-N 1 3 347.890 2.270 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2Cl)C1 ZINC001265501859 1323185293 /nfs/dbraw/zinc/18/52/93/1323185293.db2.gz SQGUOGOJUSRQLA-QAQDUYKDSA-N 1 3 347.890 2.270 10 30 EEEEHO CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001280198175 1324111014 /nfs/dbraw/zinc/11/10/14/1324111014.db2.gz OFTDBXXJTXOWML-APWZRJJASA-N 1 3 337.483 2.050 10 30 EEEEHO C[C@@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001282220024 1325654803 /nfs/dbraw/zinc/65/48/03/1325654803.db2.gz NPEFUNIQMDUJOT-MSOLQXFVSA-N 1 3 329.488 2.253 10 30 EEEEHO C=CC[NH2+]C[C@@](C)(NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001318712728 1332581978 /nfs/dbraw/zinc/58/19/78/1332581978.db2.gz IUWQPVPTABAUCR-QZTJIDSGSA-N 1 3 325.472 2.259 10 30 EEEEHO C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CCN(CC=C(C)C)CC1 ZINC001324432004 1333681582 /nfs/dbraw/zinc/68/15/82/1333681582.db2.gz MZMIZMNRKBXABX-GOSISDBHSA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CCN(CC=C(C)C)CC1 ZINC001324432004 1333681585 /nfs/dbraw/zinc/68/15/85/1333681585.db2.gz MZMIZMNRKBXABX-GOSISDBHSA-N 1 3 331.504 2.221 10 30 EEEEHO CC#CC[NH2+]C1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001328017581 1334379240 /nfs/dbraw/zinc/37/92/40/1334379240.db2.gz MHDYGKMONIMBSE-LJQANCHMSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCN2C(C)C)c(F)c1 ZINC001333471633 1336054836 /nfs/dbraw/zinc/05/48/36/1336054836.db2.gz OQXAJKJSDGQCBM-IBGZPJMESA-N 1 3 345.462 2.428 10 30 EEEEHO C=CCCC[C@@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC001344011350 1337360943 /nfs/dbraw/zinc/36/09/43/1337360943.db2.gz MNMSGSJWKJTLRM-UAGQMJEPSA-N 1 3 349.450 2.080 10 30 EEEEHO C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1NCC#Cc1ccccc1 ZINC001502754350 1342229281 /nfs/dbraw/zinc/22/92/81/1342229281.db2.gz PCRMLMULAHVLAE-QUCCMNQESA-N 1 3 341.499 2.207 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001567504604 1342773600 /nfs/dbraw/zinc/77/36/00/1342773600.db2.gz QAXXNNXKQTVWGY-INIZCTEOSA-N 1 3 334.489 2.042 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001567504604 1342773605 /nfs/dbraw/zinc/77/36/05/1342773605.db2.gz QAXXNNXKQTVWGY-INIZCTEOSA-N 1 3 334.489 2.042 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001570219865 1343034582 /nfs/dbraw/zinc/03/45/82/1343034582.db2.gz IGALVEBRLDZRTN-RBUKOAKNSA-N 1 3 333.520 2.301 10 30 EEEEHO CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001570219865 1343034585 /nfs/dbraw/zinc/03/45/85/1343034585.db2.gz IGALVEBRLDZRTN-RBUKOAKNSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001664392063 1355152849 /nfs/dbraw/zinc/15/28/49/1355152849.db2.gz WYLZZZKFPFYQQX-MRXNPFEDSA-N 1 3 345.462 2.280 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001667771887 1355812774 /nfs/dbraw/zinc/81/27/74/1355812774.db2.gz USHIAQXHJSHUNZ-UXHICEINSA-N 1 3 341.499 2.253 10 30 EEEEHO C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCC2)CC1 ZINC001672373321 1356510909 /nfs/dbraw/zinc/51/09/09/1356510909.db2.gz SQHLYFJLPLGUST-IYARVYRRSA-N 1 3 333.520 2.396 10 30 EEEEHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC#Cc1ccc(F)cc1 ZINC001698621854 1405012353 /nfs/dbraw/zinc/01/23/53/1405012353.db2.gz ZGGFRDFSSFSEOF-MJGOQNOKSA-N 1 3 345.462 2.003 10 30 EEEEHO CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC#Cc1ccc(F)cc1 ZINC001698621854 1405012356 /nfs/dbraw/zinc/01/23/56/1405012356.db2.gz ZGGFRDFSSFSEOF-MJGOQNOKSA-N 1 3 345.462 2.003 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]C[C@@H](F)CC)CCCC2)CC1 ZINC001698804355 1405078105 /nfs/dbraw/zinc/07/81/05/1405078105.db2.gz UKXIIDNQJOHVPR-KRWDZBQOSA-N 1 3 337.483 2.098 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](CC)CC2CCCC2)CC1 ZINC001566576092 1125756205 /nfs/dbraw/zinc/75/62/05/1125756205.db2.gz BYQWGFUMPXKRFT-UHFFFAOYSA-N 1 3 333.520 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@H+](CC)CC2CCCC2)CC1 ZINC001566576092 1125756213 /nfs/dbraw/zinc/75/62/13/1125756213.db2.gz BYQWGFUMPXKRFT-UHFFFAOYSA-N 1 3 333.520 2.350 10 30 EEEEHO C=C(Br)CN[C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001436970559 1088663546 /nfs/dbraw/zinc/66/35/46/1088663546.db2.gz ZHBZJZOXPLGNPE-MJBXVCDLSA-N 1 3 346.313 2.252 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440928406 1094181446 /nfs/dbraw/zinc/18/14/46/1094181446.db2.gz JIZJYDZDQSUBMZ-QFBILLFUSA-N 1 3 342.487 2.369 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440928406 1094181448 /nfs/dbraw/zinc/18/14/48/1094181448.db2.gz JIZJYDZDQSUBMZ-QFBILLFUSA-N 1 3 342.487 2.369 10 30 EEEEHO CCCCCCCN1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001495861153 1101686320 /nfs/dbraw/zinc/68/63/20/1101686320.db2.gz UBAWBMPWOLETFT-MSOLQXFVSA-N 1 3 339.524 2.258 10 30 EEEEHO CCCCCCCN1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001495861153 1101686328 /nfs/dbraw/zinc/68/63/28/1101686328.db2.gz UBAWBMPWOLETFT-MSOLQXFVSA-N 1 3 339.524 2.258 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC[C@H](C)F)CCCC2)CC1 ZINC001495964067 1101849059 /nfs/dbraw/zinc/84/90/59/1101849059.db2.gz XNLHZPOKAPJTNV-INIZCTEOSA-N 1 3 337.483 2.098 10 30 EEEEHO CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)CN1CCC(C)CC1 ZINC001497470966 1102541181 /nfs/dbraw/zinc/54/11/81/1102541181.db2.gz HGFRQLANMMDUBN-UHFFFAOYSA-N 1 3 342.487 2.228 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001447627684 1102995656 /nfs/dbraw/zinc/99/56/56/1102995656.db2.gz MJIWHDSBKQLIBH-VQIMIIECSA-N 1 3 342.487 2.368 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001447627684 1102995664 /nfs/dbraw/zinc/99/56/64/1102995664.db2.gz MJIWHDSBKQLIBH-VQIMIIECSA-N 1 3 342.487 2.368 10 30 EEEEHO CC[C@H](CNC(=O)CC[NH+](C)C)NCC#Cc1cccc(Cl)c1 ZINC001495048014 1104685766 /nfs/dbraw/zinc/68/57/66/1104685766.db2.gz BFXXLRXQVIDQRM-QGZVFWFLSA-N 1 3 335.879 2.128 10 30 EEEEHO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CCC)C[C@@H]21 ZINC001507363539 1115223653 /nfs/dbraw/zinc/22/36/53/1115223653.db2.gz LXTOHTDLCLUUTC-OWCLPIDISA-N 1 3 327.900 2.297 10 30 EEEEHO C=C(C)CNCc1cn(CCN2CCC([NH+]3CCCC3)CC2)nc1C ZINC000065407021 462766343 /nfs/dbraw/zinc/76/63/43/462766343.db2.gz NZUFPKLHRPIMTJ-UHFFFAOYSA-N 1 3 345.535 2.417 10 30 EEEEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000601967128 469116768 /nfs/dbraw/zinc/11/67/68/469116768.db2.gz IAFBTTSRVVQPOV-NZSAHSFTSA-N 1 3 327.472 2.399 10 30 EEEEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)CC1(C#N)CC1 ZINC000601967128 469116774 /nfs/dbraw/zinc/11/67/74/469116774.db2.gz IAFBTTSRVVQPOV-NZSAHSFTSA-N 1 3 327.472 2.399 10 30 EEEEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)CC1(C#N)CC1 ZINC000601967128 469116781 /nfs/dbraw/zinc/11/67/81/469116781.db2.gz IAFBTTSRVVQPOV-NZSAHSFTSA-N 1 3 327.472 2.399 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(CC#N)cc1 ZINC000596660330 469325640 /nfs/dbraw/zinc/32/56/40/469325640.db2.gz YXMFPTHUZMIDLL-HNNXBMFYSA-N 1 3 331.464 2.146 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(CC#N)cc1 ZINC000596660330 469325645 /nfs/dbraw/zinc/32/56/45/469325645.db2.gz YXMFPTHUZMIDLL-HNNXBMFYSA-N 1 3 331.464 2.146 10 30 EEEEHO C=CC[C@]1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000662794801 472254889 /nfs/dbraw/zinc/25/48/89/472254889.db2.gz UBUNEKXWQDHVNN-ILZDJORESA-N 1 3 327.472 2.321 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCCCF)CC1 ZINC001691075238 1177528926 /nfs/dbraw/zinc/52/89/26/1177528926.db2.gz QJIJMGLNIUYPLM-GOSISDBHSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCCCCF)CC1 ZINC001691075238 1177528934 /nfs/dbraw/zinc/52/89/34/1177528934.db2.gz QJIJMGLNIUYPLM-GOSISDBHSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001482035195 1183188858 /nfs/dbraw/zinc/18/88/58/1183188858.db2.gz RXRQCFVLMURONU-RBUKOAKNSA-N 1 3 327.472 2.146 10 30 EEEEHO C=CCC[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C(F)(F)F ZINC001284376652 1183887201 /nfs/dbraw/zinc/88/72/01/1183887201.db2.gz WSQPEVXTDLMRCK-UONOGXRCSA-N 1 3 335.414 2.129 10 30 EEEEHO C[NH+](C)CCCC(=O)N[C@@H](CNCC#Cc1ccc(F)cc1)C1CC1 ZINC001269109060 1183971637 /nfs/dbraw/zinc/97/16/37/1183971637.db2.gz CMXMVWQUGUWZPL-IBGZPJMESA-N 1 3 345.462 2.003 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001270346006 1185035411 /nfs/dbraw/zinc/03/54/11/1185035411.db2.gz WGHGAYVBCIWUFH-ROUUACIJSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CC2CC(C)C2)C(C)C)CC1 ZINC001271939131 1186652125 /nfs/dbraw/zinc/65/21/25/1186652125.db2.gz DRTWYYJKCFZVCL-TVPLGVNVSA-N 1 3 333.520 2.108 10 30 EEEEHO CC(C)[N@@H+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CCCN1C ZINC001691743955 1215437614 /nfs/dbraw/zinc/43/76/14/1215437614.db2.gz GAKMXGGHDUTEOI-HXUWFJFHSA-N 1 3 341.499 2.349 10 30 EEEEHO CC(C)[N@H+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CCCN1C ZINC001691743955 1215437616 /nfs/dbraw/zinc/43/76/16/1215437616.db2.gz GAKMXGGHDUTEOI-HXUWFJFHSA-N 1 3 341.499 2.349 10 30 EEEEHO CN(CC(=O)NCCC[N@H+](C)Cc1cccc(C#N)c1)CC(C)(C)C ZINC001265036442 1322878444 /nfs/dbraw/zinc/87/84/44/1322878444.db2.gz DYSYERUGLPDRMI-UHFFFAOYSA-N 1 3 344.503 2.474 10 30 EEEEHO CN(CC(=O)NCCC[N@@H+](C)Cc1cccc(C#N)c1)CC(C)(C)C ZINC001265036442 1322878450 /nfs/dbraw/zinc/87/84/50/1322878450.db2.gz DYSYERUGLPDRMI-UHFFFAOYSA-N 1 3 344.503 2.474 10 30 EEEEHO C[C@H]1[C@H](NCC#Cc2cccc(Cl)c2)CCN1C(=O)CC[NH+](C)C ZINC001283898280 1326308289 /nfs/dbraw/zinc/30/82/89/1326308289.db2.gz IILZDURFFKNPLX-MAUKXSAKSA-N 1 3 347.890 2.222 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[NH2+]Cc2ccc(C)c(F)c2)CC1 ZINC001317670930 1332362335 /nfs/dbraw/zinc/36/23/35/1332362335.db2.gz ZHWGCPAHEHGGOF-UHFFFAOYSA-N 1 3 345.462 2.027 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001317994725 1332459645 /nfs/dbraw/zinc/45/96/45/1332459645.db2.gz WPKWSYJSZVRQQY-UEKDZROGSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC/C=C/CC)C2)CC1 ZINC001317994725 1332459646 /nfs/dbraw/zinc/45/96/46/1332459646.db2.gz WPKWSYJSZVRQQY-UEKDZROGSA-N 1 3 331.504 2.269 10 30 EEEEHO CC[C@@H](C(=O)N[C@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1)N(C)C ZINC001318712180 1332582303 /nfs/dbraw/zinc/58/23/03/1332582303.db2.gz DMUHDQDVNQJKHS-PZJWPPBQSA-N 1 3 341.499 2.253 10 30 EEEEHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)C[NH2+]CC#Cc1ccccc1 ZINC001319247606 1332670675 /nfs/dbraw/zinc/67/06/75/1332670675.db2.gz XWONVYWMLRLKHO-GOSISDBHSA-N 1 3 343.515 2.358 10 30 EEEEHO CC#CCN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001327142715 1334232350 /nfs/dbraw/zinc/23/23/50/1334232350.db2.gz KDKKEZZNARISJJ-GOSISDBHSA-N 1 3 333.520 2.493 10 30 EEEEHO CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001649462171 1353518759 /nfs/dbraw/zinc/51/87/59/1353518759.db2.gz JDGPXMHPRVOWER-OALUTQOASA-N 1 3 333.520 2.302 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001649462171 1353518764 /nfs/dbraw/zinc/51/87/64/1353518764.db2.gz JDGPXMHPRVOWER-OALUTQOASA-N 1 3 333.520 2.302 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001666897614 1355611418 /nfs/dbraw/zinc/61/14/18/1355611418.db2.gz HBUHPIYIRYIPQO-UYAOXDASSA-N 1 3 341.499 2.347 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001666897614 1355611422 /nfs/dbraw/zinc/61/14/22/1355611422.db2.gz HBUHPIYIRYIPQO-UYAOXDASSA-N 1 3 341.499 2.347 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001699827150 1405512618 /nfs/dbraw/zinc/51/26/18/1405512618.db2.gz VEZRBCZXNZFPFM-HXUWFJFHSA-N 1 3 345.487 2.145 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001699827150 1405512622 /nfs/dbraw/zinc/51/26/22/1405512622.db2.gz VEZRBCZXNZFPFM-HXUWFJFHSA-N 1 3 345.487 2.145 10 30 EEEEHO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CNCCC3(F)F)CC2)cc1 ZINC000925782792 775764744 /nfs/dbraw/zinc/76/47/44/775764744.db2.gz MRRLHXHUPKMPPO-KRWDZBQOSA-N 1 3 348.441 2.357 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001437321079 1089482230 /nfs/dbraw/zinc/48/22/30/1089482230.db2.gz IZGNOQUESIXUCL-OALUTQOASA-N 1 3 342.487 2.415 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001480237844 1099867201 /nfs/dbraw/zinc/86/72/01/1099867201.db2.gz KTUJOLVGEMBPHF-HDICACEKSA-N 1 3 347.890 2.269 10 30 EEEEHO CC#CCN1CCC[C@](C)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001500546920 1112937081 /nfs/dbraw/zinc/93/70/81/1112937081.db2.gz KKPZXNCEQPHHMK-OAQYLSRUSA-N 1 3 345.531 2.350 10 30 EEEEHO CC#CCN1CCC(C2(NC(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001508165423 1115432646 /nfs/dbraw/zinc/43/26/46/1115432646.db2.gz IGESGSFUTKMIDC-UHFFFAOYSA-N 1 3 331.504 2.102 10 30 EEEEHO CC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)N1CCc2ccccc2C1 ZINC000594440265 468589466 /nfs/dbraw/zinc/58/94/66/468589466.db2.gz BFTHMMOPJGLPLX-MOPGFXCFSA-N 1 3 342.487 2.351 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000106034856 526600661 /nfs/dbraw/zinc/60/06/61/526600661.db2.gz HPPZCFRCUACGPP-UHFFFAOYSA-N 1 3 345.487 2.397 10 30 EEEEHO C#CCN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CCN(C)CC1 ZINC000914336003 683505454 /nfs/dbraw/zinc/50/54/54/683505454.db2.gz WVXJHHHRQBZDOJ-QGZVFWFLSA-N 1 3 348.535 2.236 10 30 EEEEHO C#CCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CCN(C)CC1 ZINC000914336003 683505458 /nfs/dbraw/zinc/50/54/58/683505458.db2.gz WVXJHHHRQBZDOJ-QGZVFWFLSA-N 1 3 348.535 2.236 10 30 EEEEHO C[NH+]=C(NCCN(C)C1CCCCC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262443712 686104197 /nfs/dbraw/zinc/10/41/97/686104197.db2.gz IFEOORJZRNFJHC-INIZCTEOSA-N 1 3 346.523 2.049 10 30 EEEEHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2Cl)C1 ZINC001266634958 1177032586 /nfs/dbraw/zinc/03/25/86/1177032586.db2.gz NDPUDCUIOOQSNZ-QAQDUYKDSA-N 1 3 347.890 2.270 10 30 EEEEHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001267592763 1179584299 /nfs/dbraw/zinc/58/42/99/1179584299.db2.gz YDNCVPIUOLBBMM-FQEVSTJZSA-N 1 3 341.499 2.160 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)CC#Cc2ccccc2)C1 ZINC001267592763 1179584306 /nfs/dbraw/zinc/58/43/06/1179584306.db2.gz YDNCVPIUOLBBMM-FQEVSTJZSA-N 1 3 341.499 2.160 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](CC)[NH2+]CCC2CCCC2)CC1 ZINC001267831139 1180599984 /nfs/dbraw/zinc/59/99/84/1180599984.db2.gz LZBFZLKPZUBHEK-IBGZPJMESA-N 1 3 333.520 2.396 10 30 EEEEHO CC#CC[NH2+]C[C@](C)(NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001267858371 1180642638 /nfs/dbraw/zinc/64/26/38/1180642638.db2.gz QZTLBIYJPUAZHX-OALUTQOASA-N 1 3 337.483 2.097 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNCc1ccccc1C#N)[NH+](C)C ZINC001268372435 1182370755 /nfs/dbraw/zinc/37/07/55/1182370755.db2.gz DOVUSEFZQVGLAI-YJBOKZPZSA-N 1 3 330.476 2.129 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001268716748 1183634878 /nfs/dbraw/zinc/63/48/78/1183634878.db2.gz KLWCPIZTOMIJCK-OXJNMPFZSA-N 1 3 339.483 2.113 10 30 EEEEHO CC(C)C[C@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482397631 1185607036 /nfs/dbraw/zinc/60/70/36/1185607036.db2.gz BVSVYYINRALYLA-VQTJNVASSA-N 1 3 341.499 2.110 10 30 EEEEHO CC(C)C[C@H](CNCC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482397631 1185607042 /nfs/dbraw/zinc/60/70/42/1185607042.db2.gz BVSVYYINRALYLA-VQTJNVASSA-N 1 3 341.499 2.110 10 30 EEEEHO C#CCNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485825005 1193464477 /nfs/dbraw/zinc/46/44/77/1193464477.db2.gz WWTRGXXNYCIHEU-MOPGFXCFSA-N 1 3 331.504 2.243 10 30 EEEEHO C#CCNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001485825005 1193464479 /nfs/dbraw/zinc/46/44/79/1193464479.db2.gz WWTRGXXNYCIHEU-MOPGFXCFSA-N 1 3 331.504 2.243 10 30 EEEEHO C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001482698695 1187668249 /nfs/dbraw/zinc/66/82/49/1187668249.db2.gz RPFQAXBAAPOYBM-OALUTQOASA-N 1 3 327.472 2.260 10 30 EEEEHO CC#CCN1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484173845 1191253486 /nfs/dbraw/zinc/25/34/86/1191253486.db2.gz IGPUKBOZIKGVSP-FQEVSTJZSA-N 1 3 333.520 2.494 10 30 EEEEHO C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001484688124 1191471329 /nfs/dbraw/zinc/47/13/29/1191471329.db2.gz GRFZPFUOOFKGTG-DLBZAZTESA-N 1 3 337.508 2.033 10 30 EEEEHO CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(CC(C)C)CC1 ZINC001484770752 1191513528 /nfs/dbraw/zinc/51/35/28/1191513528.db2.gz JPMOYXXZHVGJPC-BGYRXZFFSA-N 1 3 345.531 2.441 10 30 EEEEHO CC(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(CC(C)C)CC1 ZINC001484770752 1191513530 /nfs/dbraw/zinc/51/35/30/1191513530.db2.gz JPMOYXXZHVGJPC-BGYRXZFFSA-N 1 3 345.531 2.441 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485229894 1191699058 /nfs/dbraw/zinc/69/90/58/1191699058.db2.gz NMEMDEUPDAOCEN-KBPBESRZSA-N 1 3 334.439 2.020 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@@H](CNCc1cc(C#N)ccc1F)C(C)(C)C ZINC001411225784 1198936374 /nfs/dbraw/zinc/93/63/74/1198936374.db2.gz RVMGDAADNIEVNY-KRWDZBQOSA-N 1 3 348.466 2.270 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCC(C)C)CC1 ZINC001264381211 1322685138 /nfs/dbraw/zinc/68/51/38/1322685138.db2.gz ZDXVEOVEXINCBI-IBGZPJMESA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC(C)C)CC1 ZINC001264381211 1322685144 /nfs/dbraw/zinc/68/51/44/1322685144.db2.gz ZDXVEOVEXINCBI-IBGZPJMESA-N 1 3 333.520 2.301 10 30 EEEEHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCC#Cc1ccc(F)cc1 ZINC001265870576 1323443511 /nfs/dbraw/zinc/44/35/11/1323443511.db2.gz SAMDWXNFNQAZKR-QGZVFWFLSA-N 1 3 345.462 2.148 10 30 EEEEHO CC[N@H+](CCCNC(=O)CN1CC[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC001266082919 1323639643 /nfs/dbraw/zinc/63/96/43/1323639643.db2.gz QIMNLUHOWYRJDT-KRWDZBQOSA-N 1 3 342.487 2.228 10 30 EEEEHO CC[N@@H+](CCCNC(=O)CN1CC[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC001266082919 1323639652 /nfs/dbraw/zinc/63/96/52/1323639652.db2.gz QIMNLUHOWYRJDT-KRWDZBQOSA-N 1 3 342.487 2.228 10 30 EEEEHO CC#CCN(C)CCCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001280866219 1324588124 /nfs/dbraw/zinc/58/81/24/1324588124.db2.gz VIPVZFBIABRHRG-UXHICEINSA-N 1 3 341.499 2.135 10 30 EEEEHO CC#CCN(C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001280866219 1324588128 /nfs/dbraw/zinc/58/81/28/1324588128.db2.gz VIPVZFBIABRHRG-UXHICEINSA-N 1 3 341.499 2.135 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001325703042 1333943989 /nfs/dbraw/zinc/94/39/89/1333943989.db2.gz VRBZXSFYTQWTOW-PMACEKPBSA-N 1 3 339.483 2.255 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001325703042 1333943991 /nfs/dbraw/zinc/94/39/91/1333943991.db2.gz VRBZXSFYTQWTOW-PMACEKPBSA-N 1 3 339.483 2.255 10 30 EEEEHO C=CCCC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001327671119 1334331070 /nfs/dbraw/zinc/33/10/70/1334331070.db2.gz GYOCMDMEQOKIIV-CALCHBBNSA-N 1 3 337.508 2.080 10 30 EEEEHO C=CCCC[NH2+]CC1(NC(=O)CN2[C@H](C)CC[C@H]2C)CCOCC1 ZINC001327671120 1334331284 /nfs/dbraw/zinc/33/12/84/1334331284.db2.gz GYOCMDMEQOKIIV-IAGOWNOFSA-N 1 3 337.508 2.080 10 30 EEEEHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@@H]1C(F)(F)F ZINC001333021429 1335949316 /nfs/dbraw/zinc/94/93/16/1335949316.db2.gz OWCFVDLFKBRMKI-GJZGRUSLSA-N 1 3 347.425 2.416 10 30 EEEEHO C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)CN1CC[C@H](C)C1 ZINC001668214025 1355900733 /nfs/dbraw/zinc/90/07/33/1355900733.db2.gz HOKMSDPXIZKMHY-DLBZAZTESA-N 1 3 345.462 2.003 10 30 EEEEHO C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)CN1CC[C@@H](C)C1 ZINC001571307478 1343176910 /nfs/dbraw/zinc/17/69/10/1343176910.db2.gz DBCUOWWCRBXSBL-CABCVRRESA-N 1 3 348.516 2.336 10 30 EEEEHO C=CCN[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001677376624 1357324710 /nfs/dbraw/zinc/32/47/10/1357324710.db2.gz XRXMUDOTPWZIIA-KGLIPLIRSA-N 1 3 335.414 2.273 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC2CCCC2)C2CC2)CC1 ZINC001663776968 1355030207 /nfs/dbraw/zinc/03/02/07/1355030207.db2.gz BSALOQWZADTYBG-UHFFFAOYSA-N 1 3 331.504 2.102 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC2CCCC2)C2CC2)CC1 ZINC001663776968 1355030215 /nfs/dbraw/zinc/03/02/15/1355030215.db2.gz BSALOQWZADTYBG-UHFFFAOYSA-N 1 3 331.504 2.102 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1Cl)N(C)C(=O)CCC[NH+](C)C ZINC001666976786 1355626579 /nfs/dbraw/zinc/62/65/79/1355626579.db2.gz LGIMOQRNHZMGBR-INIZCTEOSA-N 1 3 349.906 2.470 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]Cc2cccc(C)c2)CC1 ZINC001698774275 1405053913 /nfs/dbraw/zinc/05/39/13/1405053913.db2.gz BYPRVTHRAAVUJB-GOSISDBHSA-N 1 3 341.499 2.182 10 30 EEEEHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001438846895 1091485852 /nfs/dbraw/zinc/48/58/52/1091485852.db2.gz HQBICNWOQWYNGS-MRXNPFEDSA-N 1 3 336.505 2.190 10 30 EEEEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001440796688 1094038656 /nfs/dbraw/zinc/03/86/56/1094038656.db2.gz KZCPZVOOYMYEPA-CHWSQXEVSA-N 1 3 334.489 2.087 10 30 EEEEHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C(C)(C)C1 ZINC001441925024 1096110152 /nfs/dbraw/zinc/11/01/52/1096110152.db2.gz AWTQEVQSSIKOKC-MRXNPFEDSA-N 1 3 348.516 2.288 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2ccc(C#N)s2)C(C)(C)C1 ZINC001441925024 1096110154 /nfs/dbraw/zinc/11/01/54/1096110154.db2.gz AWTQEVQSSIKOKC-MRXNPFEDSA-N 1 3 348.516 2.288 10 30 EEEEHO CC[C@H](CNC(=O)[C@@H]1CCCN1C(C)C)[NH2+]Cc1cccc(C#N)c1 ZINC001494984684 1104629473 /nfs/dbraw/zinc/62/94/73/1104629473.db2.gz JYBNTQBZVBKDJI-MOPGFXCFSA-N 1 3 342.487 2.415 10 30 EEEEHO C#CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1CCN(CC=C)CC1 ZINC001500054020 1112594976 /nfs/dbraw/zinc/59/49/76/1112594976.db2.gz HVNRRNMVFLVHAP-UHFFFAOYSA-N 1 3 331.504 2.219 10 30 EEEEHO CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001502406770 1113671693 /nfs/dbraw/zinc/67/16/93/1113671693.db2.gz SDYRJVAGMCFMMW-OALUTQOASA-N 1 3 333.520 2.445 10 30 EEEEHO CCCN(C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001502805319 1113805717 /nfs/dbraw/zinc/80/57/17/1113805717.db2.gz CMUYTAJSKMUQNB-UHFFFAOYSA-N 1 3 348.516 2.432 10 30 EEEEHO COc1cc(C#N)ccc1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179659045 533494961 /nfs/dbraw/zinc/49/49/61/533494961.db2.gz YOWCMPTZMYYGGH-HNNXBMFYSA-N 1 3 331.460 2.091 10 30 EEEEHO CCOC[C@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](COCC)C2)C1 ZINC000341882808 465272413 /nfs/dbraw/zinc/27/24/13/465272413.db2.gz MWVSKJQFHBEIJQ-PMACEKPBSA-N 1 3 336.520 2.487 10 30 EEEEHO CCOC[C@H]1CCCN(CC#CC[N@H+]2CCC[C@H](COCC)C2)C1 ZINC000341882808 465272416 /nfs/dbraw/zinc/27/24/16/465272416.db2.gz MWVSKJQFHBEIJQ-PMACEKPBSA-N 1 3 336.520 2.487 10 30 EEEEHO CN(C)C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594438994 468588171 /nfs/dbraw/zinc/58/81/71/468588171.db2.gz XZYSTHVJNNIKOY-JKSUJKDBSA-N 1 3 336.867 2.470 10 30 EEEEHO CN(C)CCC[N@H+](C)CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000596426033 469262445 /nfs/dbraw/zinc/26/24/45/469262445.db2.gz ZTGSZCNKAOFAIH-UHFFFAOYSA-N 1 3 345.878 2.477 10 30 EEEEHO CN(C)CCC[N@@H+](C)CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000596426033 469262452 /nfs/dbraw/zinc/26/24/52/469262452.db2.gz ZTGSZCNKAOFAIH-UHFFFAOYSA-N 1 3 345.878 2.477 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602574571 469367143 /nfs/dbraw/zinc/36/71/43/469367143.db2.gz BNTQLUAGQDRSEG-ROUUACIJSA-N 1 3 328.460 2.036 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602574571 469367146 /nfs/dbraw/zinc/36/71/46/469367146.db2.gz BNTQLUAGQDRSEG-ROUUACIJSA-N 1 3 328.460 2.036 10 30 EEEEHO C=CC[C@]1(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662744986 472231237 /nfs/dbraw/zinc/23/12/37/472231237.db2.gz CJECCBZAZSCHTD-AZUAARDMSA-N 1 3 327.472 2.418 10 30 EEEEHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001485702789 1191905960 /nfs/dbraw/zinc/90/59/60/1191905960.db2.gz BYLDUMMWBKLQAK-JCNLHEQBSA-N 1 3 346.450 2.024 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001266550857 1176818854 /nfs/dbraw/zinc/81/88/54/1176818854.db2.gz FKEIAEYERMMSLL-XFHJGTJQSA-N 1 3 331.504 2.126 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CC[N@H+](CC/C=C\CC)C2)CC1 ZINC001266550857 1176818862 /nfs/dbraw/zinc/81/88/62/1176818862.db2.gz FKEIAEYERMMSLL-XFHJGTJQSA-N 1 3 331.504 2.126 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001267372344 1178877603 /nfs/dbraw/zinc/87/76/03/1178877603.db2.gz MQAJCFWUBKTKFO-SFHVURJKSA-N 1 3 346.450 2.118 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001267372344 1178877618 /nfs/dbraw/zinc/87/76/18/1178877618.db2.gz MQAJCFWUBKTKFO-SFHVURJKSA-N 1 3 346.450 2.118 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001481252489 1180476744 /nfs/dbraw/zinc/47/67/44/1180476744.db2.gz WYUIDQMOMQWZAI-KRWDZBQOSA-N 1 3 348.516 2.288 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001481252489 1180476748 /nfs/dbraw/zinc/47/67/48/1180476748.db2.gz WYUIDQMOMQWZAI-KRWDZBQOSA-N 1 3 348.516 2.288 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001483142140 1188731972 /nfs/dbraw/zinc/73/19/72/1188731972.db2.gz XEJQBOFHCKMMNA-GOSISDBHSA-N 1 3 339.483 2.008 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483197270 1189087690 /nfs/dbraw/zinc/08/76/90/1189087690.db2.gz CLDFUSHNPHBOHX-CZUORRHYSA-N 1 3 334.489 2.088 10 30 EEEEHO C#CCC[N@H+]1CCc2c(CNC(=O)CN(C)C3CCC3)cccc2C1 ZINC001272916589 1193602759 /nfs/dbraw/zinc/60/27/59/1193602759.db2.gz CLEMMFOITVDFKD-UHFFFAOYSA-N 1 3 339.483 2.169 10 30 EEEEHO C#CCC[N@@H+]1CCc2c(CNC(=O)CN(C)C3CCC3)cccc2C1 ZINC001272916589 1193602761 /nfs/dbraw/zinc/60/27/61/1193602761.db2.gz CLEMMFOITVDFKD-UHFFFAOYSA-N 1 3 339.483 2.169 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@@H](C)CNCc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001483299123 1190321513 /nfs/dbraw/zinc/32/15/13/1190321513.db2.gz UARLCXOGSOMBFG-WMLDXEAASA-N 1 3 348.516 2.334 10 30 EEEEHO C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001275459636 1205370750 /nfs/dbraw/zinc/37/07/50/1205370750.db2.gz HXPLOXAZRIMPEQ-ROUUACIJSA-N 1 3 341.499 2.395 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)CC(C)(C)C1 ZINC001489347544 1290530368 /nfs/dbraw/zinc/53/03/68/1290530368.db2.gz AJOIFTRYFHXSQK-SJORKVTESA-N 1 3 339.524 2.136 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)N(C)C)CC(C)(C)C1 ZINC001489347544 1290530374 /nfs/dbraw/zinc/53/03/74/1290530374.db2.gz AJOIFTRYFHXSQK-SJORKVTESA-N 1 3 339.524 2.136 10 30 EEEEHO CN(C)C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000852886262 1292225828 /nfs/dbraw/zinc/22/58/28/1292225828.db2.gz ZPDTUASMXOBZTM-QGZVFWFLSA-N 1 3 333.863 2.062 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001276404346 1315057913 /nfs/dbraw/zinc/05/79/13/1315057913.db2.gz IEMDGXWJNGLHIN-QGZVFWFLSA-N 1 3 348.516 2.432 10 30 EEEEHO C#CCN1CCC(C2(NC(=O)CCCC[NH+]3CCCC3)CC2)CC1 ZINC001279368195 1323888638 /nfs/dbraw/zinc/88/86/38/1323888638.db2.gz JLBXEHNNSGLJEG-UHFFFAOYSA-N 1 3 331.504 2.247 10 30 EEEEHO C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001320550507 1332908338 /nfs/dbraw/zinc/90/83/38/1332908338.db2.gz XOJFSNFHMOYPES-LSDHHAIUSA-N 1 3 346.450 2.024 10 30 EEEEHO C=C(Br)CNCC[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001672853857 1356599882 /nfs/dbraw/zinc/59/98/82/1356599882.db2.gz TZQITBWCJSPSCA-AWEZNQCLSA-N 1 3 346.313 2.065 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001567240767 1342715406 /nfs/dbraw/zinc/71/54/06/1342715406.db2.gz PJBHRSBUCDGCMI-QGZVFWFLSA-N 1 3 333.520 2.396 10 30 EEEEHO CCCN(C)CC(=O)N1CC[C@@](C)(C[NH2+]CC#Cc2ccccc2)C1 ZINC001671805068 1356417949 /nfs/dbraw/zinc/41/79/49/1356417949.db2.gz LJNAUYBNHKUDMS-NRFANRHFSA-N 1 3 341.499 2.208 10 30 EEEEHO CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1)N(C)C ZINC001437011685 1088791461 /nfs/dbraw/zinc/79/14/61/1088791461.db2.gz RGCSYXBTCGQQDK-RBUKOAKNSA-N 1 3 342.487 2.227 10 30 EEEEHO CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1)N(C)C ZINC001437011685 1088791475 /nfs/dbraw/zinc/79/14/75/1088791475.db2.gz RGCSYXBTCGQQDK-RBUKOAKNSA-N 1 3 342.487 2.227 10 30 EEEEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001446185503 1092260512 /nfs/dbraw/zinc/26/05/12/1092260512.db2.gz WLMJFCZBZAWHFR-GOSISDBHSA-N 1 3 340.471 2.171 10 30 EEEEHO C[N@H+]1CCC[C@@H]1CCC(=O)NCC1(NCc2ccc(C#N)cc2)CC1 ZINC001446185503 1092260519 /nfs/dbraw/zinc/26/05/19/1092260519.db2.gz WLMJFCZBZAWHFR-GOSISDBHSA-N 1 3 340.471 2.171 10 30 EEEEHO C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CC[N@@H+](C)CC)C[C@H]2C1 ZINC001441341571 1094837697 /nfs/dbraw/zinc/83/76/97/1094837697.db2.gz PTWDPCLZRYWBKA-JYJNAYRXSA-N 1 3 327.900 2.297 10 30 EEEEHO C=C(Cl)CN1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001441341571 1094837719 /nfs/dbraw/zinc/83/77/19/1094837719.db2.gz PTWDPCLZRYWBKA-JYJNAYRXSA-N 1 3 327.900 2.297 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1N(Cc1ccc(C#N)cc1)CC2 ZINC001441877996 1095999808 /nfs/dbraw/zinc/99/98/08/1095999808.db2.gz RONWNSHMKUYVCN-ICSRJNTNSA-N 1 3 340.471 2.123 10 30 EEEEHO CCCN(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001479489886 1098562526 /nfs/dbraw/zinc/56/25/26/1098562526.db2.gz VOQHWTYCGGWNFY-RBUKOAKNSA-N 1 3 342.487 2.275 10 30 EEEEHO C[C@H](CNCc1ccccc1C#N)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001495719834 1101482866 /nfs/dbraw/zinc/48/28/66/1101482866.db2.gz NIXKUXZQRYUEOD-MRXNPFEDSA-N 1 3 342.487 2.275 10 30 EEEEHO CN(CC#Cc1ccccc1)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494154964 1103614262 /nfs/dbraw/zinc/61/42/62/1103614262.db2.gz AEFFBVNQHFGIRV-HXUWFJFHSA-N 1 3 341.499 2.160 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC001505760014 1114173938 /nfs/dbraw/zinc/17/39/38/1114173938.db2.gz FFZZXKXDQRCOAK-CVEARBPZSA-N 1 3 345.462 2.154 10 30 EEEEHO C[C@H](CCCNCc1ccccc1C#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001506938059 1114987903 /nfs/dbraw/zinc/98/79/03/1114987903.db2.gz JXKKVSCYIOOTDR-IAGOWNOFSA-N 1 3 342.487 2.275 10 30 EEEEHO C[C@H](CCCNCc1ccccc1C#N)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001506938059 1114987905 /nfs/dbraw/zinc/98/79/05/1114987905.db2.gz JXKKVSCYIOOTDR-IAGOWNOFSA-N 1 3 342.487 2.275 10 30 EEEEHO C#CC[NH+]1CCC(CCNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001568130287 1124319553 /nfs/dbraw/zinc/31/95/53/1124319553.db2.gz QZDQNBGKVZPGKU-LJQANCHMSA-N 1 3 337.483 2.050 10 30 EEEEHO C[C@@]1(CCCO)CCCN1CC#CC[N@@H+]1CCC[C@@]1(C)CCCO ZINC000341908479 465273136 /nfs/dbraw/zinc/27/31/36/465273136.db2.gz DOPLFDNFLZKFQY-PMACEKPBSA-N 1 3 336.520 2.244 10 30 EEEEHO C[C@@]1(CCCO)CCCN1CC#CC[N@H+]1CCC[C@@]1(C)CCCO ZINC000341908479 465273143 /nfs/dbraw/zinc/27/31/43/465273143.db2.gz DOPLFDNFLZKFQY-PMACEKPBSA-N 1 3 336.520 2.244 10 30 EEEEHO COc1ccc(C#N)cc1CN1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000095995350 463133607 /nfs/dbraw/zinc/13/36/07/463133607.db2.gz BTFMZSIMTCSWCA-LJQANCHMSA-N 1 3 342.487 2.169 10 30 EEEEHO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000095995350 463133613 /nfs/dbraw/zinc/13/36/13/463133613.db2.gz BTFMZSIMTCSWCA-LJQANCHMSA-N 1 3 342.487 2.169 10 30 EEEEHO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000095995350 463133615 /nfs/dbraw/zinc/13/36/15/463133615.db2.gz BTFMZSIMTCSWCA-LJQANCHMSA-N 1 3 342.487 2.169 10 30 EEEEHO CCC[C@@]1(CO)CCCN1CC#CC[N@@H+]1CCC[C@]1(CO)CCC ZINC000515470375 467993689 /nfs/dbraw/zinc/99/36/89/467993689.db2.gz SMNCNQWTMLCCMX-PMACEKPBSA-N 1 3 336.520 2.244 10 30 EEEEHO CCC[C@@]1(CO)CCCN1CC#CC[N@H+]1CCC[C@]1(CO)CCC ZINC000515470375 467993690 /nfs/dbraw/zinc/99/36/90/467993690.db2.gz SMNCNQWTMLCCMX-PMACEKPBSA-N 1 3 336.520 2.244 10 30 EEEEHO C=CC[NH+](CC=C)[C@H](CNC(=O)N(CC)[C@H]1CCN(C)C1)C(C)C ZINC000663669287 471466371 /nfs/dbraw/zinc/46/63/71/471466371.db2.gz WFFLKXBIBFNMEC-ZWKOTPCHSA-N 1 3 336.524 2.421 10 30 EEEEHO CN(CC#Cc1ccccc1)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266466492 1176588639 /nfs/dbraw/zinc/58/86/39/1176588639.db2.gz PPJAWZVTEXENBS-HXUWFJFHSA-N 1 3 341.499 2.160 10 30 EEEEHO CC(C)[C@H](C(=O)NC/C=C/CNCc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001268589586 1183392056 /nfs/dbraw/zinc/39/20/56/1183392056.db2.gz WORNVMICERHUEN-DUMMIQTOSA-N 1 3 346.450 2.046 10 30 EEEEHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC#Cc1ccccc1Cl ZINC001269510931 1184334034 /nfs/dbraw/zinc/33/40/34/1184334034.db2.gz SYYKWDMTQIOORF-SJORKVTESA-N 1 3 347.890 2.128 10 30 EEEEHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC#Cc1ccccc1Cl ZINC001269510931 1184334041 /nfs/dbraw/zinc/33/40/41/1184334041.db2.gz SYYKWDMTQIOORF-SJORKVTESA-N 1 3 347.890 2.128 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CC/C=C\CC)C2)CC1 ZINC001691541497 1187945112 /nfs/dbraw/zinc/94/51/12/1187945112.db2.gz YTYCDYALGMDLIM-SGEUTHJCSA-N 1 3 331.504 2.172 10 30 EEEEHO C=CCC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001483587538 1190573761 /nfs/dbraw/zinc/57/37/61/1190573761.db2.gz HPEBZBCOUXEBKS-CRAIPNDOSA-N 1 3 325.472 2.259 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC(C)C)C2CCCC2)CC1 ZINC001484013861 1191155938 /nfs/dbraw/zinc/15/59/38/1191155938.db2.gz FDNQMRZTNZSWKD-LJQANCHMSA-N 1 3 333.520 2.252 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001485228579 1191698394 /nfs/dbraw/zinc/69/83/94/1191698394.db2.gz DLXVQXPLSFMLHL-IRXDYDNUSA-N 1 3 327.472 2.015 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC000875246613 1199186536 /nfs/dbraw/zinc/18/65/36/1199186536.db2.gz DFNDBRXFEQXMCZ-UHFFFAOYSA-N 1 3 334.508 2.154 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000876741061 1199750680 /nfs/dbraw/zinc/75/06/80/1199750680.db2.gz PIWIFTDXGQMMQD-CVEARBPZSA-N 1 3 327.900 2.427 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001274023338 1204329296 /nfs/dbraw/zinc/32/92/96/1204329296.db2.gz CJFQQMLQOSNLMK-ZRHASKPBSA-N 1 3 340.471 2.193 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001274023338 1204329297 /nfs/dbraw/zinc/32/92/97/1204329297.db2.gz CJFQQMLQOSNLMK-ZRHASKPBSA-N 1 3 340.471 2.193 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]Cc2cccc(C)c2)CC1 ZINC001274609415 1205096553 /nfs/dbraw/zinc/09/65/53/1205096553.db2.gz KTOZXJOXYAACGG-SNAWJCMRSA-N 1 3 339.483 2.102 10 30 EEEEHO C=CCN1CCC(NC(=O)c2ccc([C@@H]3CCCC[NH2+]3)n2C)CC1 ZINC001263100674 1322433999 /nfs/dbraw/zinc/43/39/99/1322433999.db2.gz UPGJMBPRVZRXKT-INIZCTEOSA-N 1 3 330.476 2.220 10 30 EEEEHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001281748243 1325434570 /nfs/dbraw/zinc/43/45/70/1325434570.db2.gz VAORLCIMWMCBHI-SJORKVTESA-N 1 3 345.462 2.003 10 30 EEEEHO C=CCOCCN1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001284977701 1326806704 /nfs/dbraw/zinc/80/67/04/1326806704.db2.gz KBVSJJDLXSPACF-UHFFFAOYSA-N 1 3 349.519 2.058 10 30 EEEEHO C#CCCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001316721525 1331862026 /nfs/dbraw/zinc/86/20/26/1331862026.db2.gz MCYBTCNXLJQJAJ-RTBURBONSA-N 1 3 345.462 2.075 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2ccccc2)CC1 ZINC001328457969 1334461067 /nfs/dbraw/zinc/46/10/67/1334461067.db2.gz BRGDHENXPFUSDK-KRWDZBQOSA-N 1 3 327.472 2.016 10 30 EEEEHO C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001328692908 1334500556 /nfs/dbraw/zinc/50/05/56/1334500556.db2.gz DCJHLVCOZNXZPL-UYAOXDASSA-N 1 3 341.499 2.359 10 30 EEEEHO C#CCC[N@@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001331054495 1334954505 /nfs/dbraw/zinc/95/45/05/1334954505.db2.gz RTYURONOHSYEHN-LJQANCHMSA-N 1 3 337.483 2.145 10 30 EEEEHO C#CCC[N@H+](C)C1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001331054495 1334954508 /nfs/dbraw/zinc/95/45/08/1334954508.db2.gz RTYURONOHSYEHN-LJQANCHMSA-N 1 3 337.483 2.145 10 30 EEEEHO C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)C1(N(C)C)CCC1 ZINC001331081886 1334960362 /nfs/dbraw/zinc/96/03/62/1334960362.db2.gz YUQLRCIAPHQTBQ-UHFFFAOYSA-N 1 3 327.472 2.112 10 30 EEEEHO C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CN1C(=O)CCCC[NH+](C)C ZINC001332044910 1335712747 /nfs/dbraw/zinc/71/27/47/1335712747.db2.gz CUJSLJZIPMHCHL-HUUCEWRRSA-N 1 3 348.516 2.431 10 30 EEEEHO CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCCN1CC ZINC001569442722 1342870728 /nfs/dbraw/zinc/87/07/28/1342870728.db2.gz GLBJEPCYJZOPIH-IPQPSQTFSA-N 1 3 331.504 2.386 10 30 EEEEHO CC#CCN1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001676821125 1357213566 /nfs/dbraw/zinc/21/35/66/1357213566.db2.gz RFFGSYJKMOTMIX-UYAOXDASSA-N 1 3 331.504 2.389 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001663968815 1355064423 /nfs/dbraw/zinc/06/44/23/1355064423.db2.gz WMBVBNFAUVPFLE-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCNCc1ccc(C#N)c(F)c1 ZINC001663968815 1355064427 /nfs/dbraw/zinc/06/44/27/1355064427.db2.gz WMBVBNFAUVPFLE-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)cc1 ZINC001666344878 1355514834 /nfs/dbraw/zinc/51/48/34/1355514834.db2.gz RXUHSHGQLOZSOA-UHFFFAOYSA-N 1 3 349.478 2.444 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001666345255 1355515106 /nfs/dbraw/zinc/51/51/06/1355515106.db2.gz YUKUCLUKJVCIRE-HXUWFJFHSA-N 1 3 345.462 2.238 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC001666345255 1355515109 /nfs/dbraw/zinc/51/51/09/1355515109.db2.gz YUKUCLUKJVCIRE-HXUWFJFHSA-N 1 3 345.462 2.238 10 30 EEEEHO C=CCOCC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001673928060 1356761355 /nfs/dbraw/zinc/76/13/55/1356761355.db2.gz ANFDCELMABVECV-LPHOPBHVSA-N 1 3 345.487 2.001 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)[C@H](C)C[NH2+]Cc2csc(C)c2)CC1 ZINC001698859187 1405115862 /nfs/dbraw/zinc/11/58/62/1405115862.db2.gz BHYVGTMFCXMKDQ-OAHLLOKOSA-N 1 3 347.528 2.338 10 30 EEEEHO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001699758674 1405469229 /nfs/dbraw/zinc/46/92/29/1405469229.db2.gz MLYUVCWBMCBOAK-MAUKXSAKSA-N 1 3 325.472 2.356 10 30 EEEEHO C[C@H](C(=O)NC[C@H](C)NCc1ccc(C#N)s1)[NH+]1CCCCCC1 ZINC001437212973 1089291083 /nfs/dbraw/zinc/29/10/83/1089291083.db2.gz IAUAAKBDSWXACN-LSDHHAIUSA-N 1 3 348.516 2.479 10 30 EEEEHO CCN(CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1ccc(C#N)s1 ZINC001479855186 1099157249 /nfs/dbraw/zinc/15/72/49/1099157249.db2.gz XXWJIPIBPPECFZ-HNNXBMFYSA-N 1 3 348.516 2.290 10 30 EEEEHO CCN(CCCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1ccc(C#N)s1 ZINC001479855186 1099157252 /nfs/dbraw/zinc/15/72/52/1099157252.db2.gz XXWJIPIBPPECFZ-HNNXBMFYSA-N 1 3 348.516 2.290 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001480472058 1100278552 /nfs/dbraw/zinc/27/85/52/1100278552.db2.gz MRKQNJQTIJIIML-LPHOPBHVSA-N 1 3 345.462 2.146 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001480472058 1100278563 /nfs/dbraw/zinc/27/85/63/1100278563.db2.gz MRKQNJQTIJIIML-LPHOPBHVSA-N 1 3 345.462 2.146 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2ccc(C)cc2)CC1 ZINC001497331571 1102337537 /nfs/dbraw/zinc/33/75/37/1102337537.db2.gz MGLMOKFMROEBDA-GOSISDBHSA-N 1 3 341.499 2.325 10 30 EEEEHO C[C@H](CNCC#Cc1cccc(Cl)c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497894754 1103272598 /nfs/dbraw/zinc/27/25/98/1103272598.db2.gz GJQHTMPYEOSCSE-OAHLLOKOSA-N 1 3 347.890 2.128 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CC/C=C/CCC)C2)CC1 ZINC001494792133 1104375559 /nfs/dbraw/zinc/37/55/59/1104375559.db2.gz IIWSABICPLADLH-OVKVCFKUSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CC/C=C/CCC)C2)CC1 ZINC001494792133 1104375567 /nfs/dbraw/zinc/37/55/67/1104375567.db2.gz IIWSABICPLADLH-OVKVCFKUSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC001498197489 1107064029 /nfs/dbraw/zinc/06/40/29/1107064029.db2.gz NFHPMLHPIGUSHA-HNNXBMFYSA-N 1 3 347.890 2.280 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001498659489 1107913601 /nfs/dbraw/zinc/91/36/01/1107913601.db2.gz YJHPUELCQPTEAF-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO C#CCN(C(=O)[C@H]1CCCN1C(C)C)C1CC[NH+](CC(C)C)CC1 ZINC001500038123 1112588256 /nfs/dbraw/zinc/58/82/56/1112588256.db2.gz VGVDGAFFFHKZOW-LJQANCHMSA-N 1 3 333.520 2.441 10 30 EEEEHO CC#CCN1CCC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406950 1113671578 /nfs/dbraw/zinc/67/15/78/1113671578.db2.gz WUEBFKXNFMHSLU-OALUTQOASA-N 1 3 345.531 2.445 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001502985904 1113866567 /nfs/dbraw/zinc/86/65/67/1113866567.db2.gz IQLMPBYKRDCFFQ-IRXDYDNUSA-N 1 3 339.524 2.136 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@H](NC(=O)CN(C)CC(C)(C)C)C[C@@H]1C ZINC001502985904 1113866568 /nfs/dbraw/zinc/86/65/68/1113866568.db2.gz IQLMPBYKRDCFFQ-IRXDYDNUSA-N 1 3 339.524 2.136 10 30 EEEEHO C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001568407689 1124477046 /nfs/dbraw/zinc/47/70/46/1124477046.db2.gz TUDDXZNWUVSRMA-ROUUACIJSA-N 1 3 333.520 2.491 10 30 EEEEHO Cc1ccc(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1C#N ZINC000599338348 469216770 /nfs/dbraw/zinc/21/67/70/469216770.db2.gz AMGUJNQDULFQOO-XLIONFOSSA-N 1 3 326.488 2.325 10 30 EEEEHO Cc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1C#N ZINC000599338348 469216772 /nfs/dbraw/zinc/21/67/72/469216772.db2.gz AMGUJNQDULFQOO-XLIONFOSSA-N 1 3 326.488 2.325 10 30 EEEEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC000602583718 469372245 /nfs/dbraw/zinc/37/22/45/469372245.db2.gz RVFRMFXVNNFQMM-QRQLOZEOSA-N 1 3 342.487 2.282 10 30 EEEEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC000602583718 469372251 /nfs/dbraw/zinc/37/22/51/469372251.db2.gz RVFRMFXVNNFQMM-QRQLOZEOSA-N 1 3 342.487 2.282 10 30 EEEEHO C[NH+]=C(NCc1nc2cc(C)ccc2[nH]1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000262008496 682809518 /nfs/dbraw/zinc/80/95/18/682809518.db2.gz WCTVDKMKTVSOSY-WMLDXEAASA-N 1 3 342.491 2.265 10 30 EEEEHO C[NH+]=C(NCc1nc2ccc(C)cc2[nH]1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000262008496 682809524 /nfs/dbraw/zinc/80/95/24/682809524.db2.gz WCTVDKMKTVSOSY-WMLDXEAASA-N 1 3 342.491 2.265 10 30 EEEEHO C[NH+](C)CCCCC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001691124659 1177614399 /nfs/dbraw/zinc/61/43/99/1177614399.db2.gz PYPRILKKKISXAD-BGYRXZFFSA-N 1 3 341.499 2.254 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266891387 1177725444 /nfs/dbraw/zinc/72/54/44/1177725444.db2.gz OWWUOUWPVYHQOV-ROUUACIJSA-N 1 3 333.520 2.491 10 30 EEEEHO CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266891387 1177725450 /nfs/dbraw/zinc/72/54/50/1177725450.db2.gz OWWUOUWPVYHQOV-ROUUACIJSA-N 1 3 333.520 2.491 10 30 EEEEHO C=CC[NH2+]CCc1ccc(CNC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC001267098096 1178235320 /nfs/dbraw/zinc/23/53/20/1178235320.db2.gz DOTJTXGYRQSSJG-CALCHBBNSA-N 1 3 329.488 2.494 10 30 EEEEHO C[NH+](C)CCCC(=O)NCC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001267570795 1179425576 /nfs/dbraw/zinc/42/55/76/1179425576.db2.gz SKXZNQNRMWOUCY-HXUWFJFHSA-N 1 3 341.499 2.208 10 30 EEEEHO CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCC#Cc1ccccc1 ZINC001269417425 1184253180 /nfs/dbraw/zinc/25/31/80/1184253180.db2.gz IKDAENSSHYQQKT-OALUTQOASA-N 1 3 329.488 2.109 10 30 EEEEHO C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001269593017 1184417111 /nfs/dbraw/zinc/41/71/11/1184417111.db2.gz LUEFRAFLUQQGEJ-OTWHNJEPSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001269593017 1184417114 /nfs/dbraw/zinc/41/71/14/1184417114.db2.gz LUEFRAFLUQQGEJ-OTWHNJEPSA-N 1 3 349.519 2.129 10 30 EEEEHO C=C(C)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1C(F)(F)F ZINC001284738502 1184753740 /nfs/dbraw/zinc/75/37/40/1184753740.db2.gz YZRQPCZGWAIZTG-ZIAGYGMSSA-N 1 3 335.414 2.273 10 30 EEEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@H]1C)C1CC[NH+](CCC=C)CC1 ZINC001270364426 1185048607 /nfs/dbraw/zinc/04/86/07/1185048607.db2.gz PAQHLNKOWXDZNI-QZTJIDSGSA-N 1 3 331.504 2.362 10 30 EEEEHO C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001271102080 1185886757 /nfs/dbraw/zinc/88/67/57/1185886757.db2.gz XELKZMUIRSSLER-GJZGRUSLSA-N 1 3 331.451 2.366 10 30 EEEEHO C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001271102080 1185886765 /nfs/dbraw/zinc/88/67/65/1185886765.db2.gz XELKZMUIRSSLER-GJZGRUSLSA-N 1 3 331.451 2.366 10 30 EEEEHO CC#CCN1C[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)C[C@@H]2C1 ZINC001271891512 1186586785 /nfs/dbraw/zinc/58/67/85/1186586785.db2.gz KQJPFXLXVOAOCN-KDURUIRLSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[NH2+]Cc2cc(F)ccc2C)CC1 ZINC001691619373 1188319983 /nfs/dbraw/zinc/31/99/83/1188319983.db2.gz LYXNUZHBLOJXOD-UHFFFAOYSA-N 1 3 345.462 2.027 10 30 EEEEHO CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001484462096 1191366345 /nfs/dbraw/zinc/36/63/45/1191366345.db2.gz BELGZZIQBAUBSP-RBUKOAKNSA-N 1 3 331.504 2.341 10 30 EEEEHO CC(C)[C@H](C(=O)NCC1(NCC#Cc2ccccc2)CCC1)[NH+](C)C ZINC001484648845 1191454871 /nfs/dbraw/zinc/45/48/71/1191454871.db2.gz ABJRRUBKXVMWPG-LJQANCHMSA-N 1 3 341.499 2.253 10 30 EEEEHO C=CC[NH+]1CCC2(CCN(C(=O)[C@@H](F)CN(CC)CC)C2)CC1 ZINC001671055822 1194356301 /nfs/dbraw/zinc/35/63/01/1194356301.db2.gz YXJUNVNAYRHEJW-INIZCTEOSA-N 1 3 325.472 2.167 10 30 EEEEHO C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)N2CCCCCC2)CCO1 ZINC001273321862 1198126644 /nfs/dbraw/zinc/12/66/44/1198126644.db2.gz ACYNWJADHIYGCI-ROUUACIJSA-N 1 3 337.508 2.034 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000876764597 1199764073 /nfs/dbraw/zinc/76/40/73/1199764073.db2.gz NATJXKHSPBGWOF-CQSZACIVSA-N 1 3 345.940 2.324 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000876967839 1199832680 /nfs/dbraw/zinc/83/26/80/1199832680.db2.gz MCPFGLJSDLQSOX-IRXDYDNUSA-N 1 3 335.879 2.232 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000876967839 1199832684 /nfs/dbraw/zinc/83/26/84/1199832684.db2.gz MCPFGLJSDLQSOX-IRXDYDNUSA-N 1 3 335.879 2.232 10 30 EEEEHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001274106048 1204373340 /nfs/dbraw/zinc/37/33/40/1204373340.db2.gz UWWDWELLIVNJBV-LSTKMXGYSA-N 1 3 340.471 2.195 10 30 EEEEHO C[N@H+]1CCC[C@@H]1CCC(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001274106048 1204373342 /nfs/dbraw/zinc/37/33/42/1204373342.db2.gz UWWDWELLIVNJBV-LSTKMXGYSA-N 1 3 340.471 2.195 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001274279370 1204984178 /nfs/dbraw/zinc/98/41/78/1204984178.db2.gz FRNBGGTVLAMLOV-AZUAARDMSA-N 1 3 341.499 2.207 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC#Cc2ccccc2)C1 ZINC001274279370 1204984181 /nfs/dbraw/zinc/98/41/81/1204984181.db2.gz FRNBGGTVLAMLOV-AZUAARDMSA-N 1 3 341.499 2.207 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037119465 1213851755 /nfs/dbraw/zinc/85/17/55/1213851755.db2.gz CSQYWLWMDBQHGW-VQTJNVASSA-N 1 3 345.531 2.396 10 30 EEEEHO C=C(Cl)CN[C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001490302433 1291137626 /nfs/dbraw/zinc/13/76/26/1291137626.db2.gz ICHYTPVWJLGKCC-LSDHHAIUSA-N 1 3 325.884 2.194 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@@H+](CC(=C)C)C2)CC1 ZINC001278692764 1317755666 /nfs/dbraw/zinc/75/56/66/1317755666.db2.gz CCZIKGFYDSILEL-FQEVSTJZSA-N 1 3 331.504 2.126 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@]2(C)CCC[N@H+](CC(=C)C)C2)CC1 ZINC001278692764 1317755672 /nfs/dbraw/zinc/75/56/72/1317755672.db2.gz CCZIKGFYDSILEL-FQEVSTJZSA-N 1 3 331.504 2.126 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCC(C)C)C2)CC1 ZINC001263851820 1322537427 /nfs/dbraw/zinc/53/74/27/1322537427.db2.gz WCVRDBPDBUZAKR-IZAXUBKRSA-N 1 3 333.520 2.252 10 30 EEEEHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1)N(C)C ZINC001264408947 1322693607 /nfs/dbraw/zinc/69/36/07/1322693607.db2.gz XOPDBNPFHHSQEL-UHOSZYNNSA-N 1 3 345.462 2.002 10 30 EEEEHO C=CC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1ccc(OC)cc1 ZINC001264767702 1322812243 /nfs/dbraw/zinc/81/22/43/1322812243.db2.gz UWIDPAKFBJWSFZ-RBUKOAKNSA-N 1 3 345.487 2.105 10 30 EEEEHO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265303791 1323054267 /nfs/dbraw/zinc/05/42/67/1323054267.db2.gz PCNXOPWKQDXPHP-YJBOKZPZSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265303791 1323054273 /nfs/dbraw/zinc/05/42/73/1323054273.db2.gz PCNXOPWKQDXPHP-YJBOKZPZSA-N 1 3 325.472 2.356 10 30 EEEEHO C[C@@H](NCC#Cc1ccccc1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266007208 1323561116 /nfs/dbraw/zinc/56/11/16/1323561116.db2.gz VJKMYHNNVROSRH-QUCCMNQESA-N 1 3 341.499 2.349 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001317471278 1332257607 /nfs/dbraw/zinc/25/76/07/1332257607.db2.gz HQDKWWJXRXUVEK-QGZVFWFLSA-N 1 3 327.472 2.141 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001317471278 1332257611 /nfs/dbraw/zinc/25/76/11/1332257611.db2.gz HQDKWWJXRXUVEK-QGZVFWFLSA-N 1 3 327.472 2.141 10 30 EEEEHO C#CCNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1ccc2ccccc2c1 ZINC001324452010 1333686494 /nfs/dbraw/zinc/68/64/94/1333686494.db2.gz SAXKOOXMTZRUMY-HXUWFJFHSA-N 1 3 347.462 2.316 10 30 EEEEHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001331602621 1335044268 /nfs/dbraw/zinc/04/42/68/1335044268.db2.gz ZPBGOEWAJBXGPV-MRXNPFEDSA-N 1 3 349.906 2.470 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001331602621 1335044270 /nfs/dbraw/zinc/04/42/70/1335044270.db2.gz ZPBGOEWAJBXGPV-MRXNPFEDSA-N 1 3 349.906 2.470 10 30 EEEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001569595658 1342905146 /nfs/dbraw/zinc/90/51/46/1342905146.db2.gz XHAZSBFOGBVYTR-FAFZWHIHSA-N 1 3 333.520 2.299 10 30 EEEEHO C=CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001571073257 1343160837 /nfs/dbraw/zinc/16/08/37/1343160837.db2.gz RQXFQKBQKCODIY-KRWDZBQOSA-N 1 3 349.519 2.034 10 30 EEEEHO C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)C1(N(C)C)CCC1 ZINC001672924795 1356615997 /nfs/dbraw/zinc/61/59/97/1356615997.db2.gz DDMYYSUSSZBVQE-UHFFFAOYSA-N 1 3 327.472 2.242 10 30 EEEEHO C#CCC[N@H+](C)Cc1ccccc1CNC(=O)C1(N(C)C)CCC1 ZINC001672924795 1356616000 /nfs/dbraw/zinc/61/60/00/1356616000.db2.gz DDMYYSUSSZBVQE-UHFFFAOYSA-N 1 3 327.472 2.242 10 30 EEEEHO C#CCN(C(=O)CN1[C@H](C)CC[C@H]1C)C1CC[NH+](CC(C)C)CC1 ZINC001699789137 1405485932 /nfs/dbraw/zinc/48/59/32/1405485932.db2.gz LNNZMHZFERPQFD-QZTJIDSGSA-N 1 3 333.520 2.441 10 30 EEEEHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480472616 1100280566 /nfs/dbraw/zinc/28/05/66/1100280566.db2.gz QNJZCFQDDDSXQG-CRAIPNDOSA-N 1 3 328.460 2.027 10 30 EEEEHO C#CCN1CCC[C@@](C)(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001500523123 1112916189 /nfs/dbraw/zinc/91/61/89/1112916189.db2.gz RCOOCLWILFOWBH-RBUKOAKNSA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCN1CCC[C@@](C)(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001500523123 1112916192 /nfs/dbraw/zinc/91/61/92/1112916192.db2.gz RCOOCLWILFOWBH-RBUKOAKNSA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001501617887 1113401263 /nfs/dbraw/zinc/40/12/63/1113401263.db2.gz GJELXLAVMJKWKH-APWZRJJASA-N 1 3 337.483 2.050 10 30 EEEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CCO1 ZINC001502079856 1113580060 /nfs/dbraw/zinc/58/00/60/1113580060.db2.gz YJWLRTADYAUYTO-MSOLQXFVSA-N 1 3 337.508 2.034 10 30 EEEEHO N#Cc1ccc(CC(C#N)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000372982353 268089667 /nfs/dbraw/zinc/08/96/67/268089667.db2.gz LZCRGAYKKZUUCV-LMDPOFIKSA-N 1 3 336.439 2.374 10 30 EEEEHO C=CCN1CCC(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000171686867 463905644 /nfs/dbraw/zinc/90/56/44/463905644.db2.gz ZHMIBLWFJAGLJS-SFHVURJKSA-N 1 3 334.508 2.297 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000594437539 468586239 /nfs/dbraw/zinc/58/62/39/468586239.db2.gz JWTMKZMCFLIADA-IBGZPJMESA-N 1 3 342.487 2.426 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000594439408 468587586 /nfs/dbraw/zinc/58/75/86/468587586.db2.gz VNXFTUUIDFRZKQ-KRWDZBQOSA-N 1 3 348.516 2.488 10 30 EEEEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715774 468630734 /nfs/dbraw/zinc/63/07/34/468630734.db2.gz ILHCJBGXIWKZPK-KSZLIROESA-N 1 3 337.508 2.015 10 30 EEEEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715774 468630737 /nfs/dbraw/zinc/63/07/37/468630737.db2.gz ILHCJBGXIWKZPK-KSZLIROESA-N 1 3 337.508 2.015 10 30 EEEEHO C[C@@H]1C[C@H](C)CN(CCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715774 468630739 /nfs/dbraw/zinc/63/07/39/468630739.db2.gz ILHCJBGXIWKZPK-KSZLIROESA-N 1 3 337.508 2.015 10 30 EEEEHO C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001485650441 1191870147 /nfs/dbraw/zinc/87/01/47/1191870147.db2.gz MDYQXGWYUUORNW-QFBILLFUSA-N 1 3 345.487 2.143 10 30 EEEEHO CN(CCNCc1ccc(C#N)c(F)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267386307 1178946480 /nfs/dbraw/zinc/94/64/80/1178946480.db2.gz CFQXTZZRDNAYBK-KRWDZBQOSA-N 1 3 346.450 2.120 10 30 EEEEHO CN(CCNCc1ccc(C#N)c(F)c1)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267386307 1178946483 /nfs/dbraw/zinc/94/64/83/1178946483.db2.gz CFQXTZZRDNAYBK-KRWDZBQOSA-N 1 3 346.450 2.120 10 30 EEEEHO CC#CC[NH2+]CC1(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001481904178 1182917254 /nfs/dbraw/zinc/91/72/54/1182917254.db2.gz NOFGYGWNNJVHKR-IBGZPJMESA-N 1 3 337.483 2.241 10 30 EEEEHO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)CC[C@H]21 ZINC001482663145 1187507159 /nfs/dbraw/zinc/50/71/59/1187507159.db2.gz OKAZWEXIUQHMGG-RTBURBONSA-N 1 3 333.520 2.445 10 30 EEEEHO CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)CC[C@H]21 ZINC001482663145 1187507161 /nfs/dbraw/zinc/50/71/61/1187507161.db2.gz OKAZWEXIUQHMGG-RTBURBONSA-N 1 3 333.520 2.445 10 30 EEEEHO C=CCC[NH2+]C1(CNC(=O)[C@@H](C)N2CCCCCC2)CCOCC1 ZINC001484189520 1191265344 /nfs/dbraw/zinc/26/53/44/1191265344.db2.gz OIERLUXGNKNVSI-QGZVFWFLSA-N 1 3 337.508 2.082 10 30 EEEEHO C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)C2 ZINC001484391008 1191325505 /nfs/dbraw/zinc/32/55/05/1191325505.db2.gz HHQBUQRMJKPLEZ-FKSLSLAPSA-N 1 3 331.504 2.242 10 30 EEEEHO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CN1[C@@H](C)CC[C@@H]1C)C2 ZINC001484391008 1191325506 /nfs/dbraw/zinc/32/55/06/1191325506.db2.gz HHQBUQRMJKPLEZ-FKSLSLAPSA-N 1 3 331.504 2.242 10 30 EEEEHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)N2CCCCCC2)CCO1 ZINC001273321861 1198126539 /nfs/dbraw/zinc/12/65/39/1198126539.db2.gz ACYNWJADHIYGCI-QZTJIDSGSA-N 1 3 337.508 2.034 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@H](CNCc1cc(C#N)ccc1F)C(C)(C)C ZINC001411225800 1198936308 /nfs/dbraw/zinc/93/63/08/1198936308.db2.gz RVMGDAADNIEVNY-QGZVFWFLSA-N 1 3 348.466 2.270 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000876768191 1199765756 /nfs/dbraw/zinc/76/57/56/1199765756.db2.gz SLXAIROEAIZKCE-CYBMUJFWSA-N 1 3 325.840 2.344 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)CC1 ZINC001120028259 1309288483 /nfs/dbraw/zinc/28/84/83/1309288483.db2.gz ZKTFOYCUSJAJHD-YQVWRLOYSA-N 1 3 348.535 2.399 10 30 EEEEHO CC#CC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CC1(C)C ZINC001278690338 1317745513 /nfs/dbraw/zinc/74/55/13/1317745513.db2.gz PKGPMUZQHLPHAL-SFHVURJKSA-N 1 3 327.472 2.212 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001265073091 1322907700 /nfs/dbraw/zinc/90/77/00/1322907700.db2.gz PTLXSGAUSRYCEL-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001265073091 1322907704 /nfs/dbraw/zinc/90/77/04/1322907704.db2.gz PTLXSGAUSRYCEL-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO C[C@@H](NCC#Cc1ccccc1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266007209 1323560989 /nfs/dbraw/zinc/56/09/89/1323560989.db2.gz VJKMYHNNVROSRH-UYAOXDASSA-N 1 3 341.499 2.349 10 30 EEEEHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H](F)CN(CC)CC)C2)C1 ZINC001282964351 1325857431 /nfs/dbraw/zinc/85/74/31/1325857431.db2.gz GYLNXTFFDXYMGU-MRXNPFEDSA-N 1 3 325.472 2.167 10 30 EEEEHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](F)CN(CC)CC)C2)C1 ZINC001282964351 1325857434 /nfs/dbraw/zinc/85/74/34/1325857434.db2.gz GYLNXTFFDXYMGU-MRXNPFEDSA-N 1 3 325.472 2.167 10 30 EEEEHO C[C@@H]1[C@H](NCC#Cc2cccc(Cl)c2)CCN1C(=O)CC[NH+](C)C ZINC001283898279 1326308361 /nfs/dbraw/zinc/30/83/61/1326308361.db2.gz IILZDURFFKNPLX-CRAIPNDOSA-N 1 3 347.890 2.222 10 30 EEEEHO C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001284725856 1326683796 /nfs/dbraw/zinc/68/37/96/1326683796.db2.gz JMDLIQUSQJHBDI-ROUUACIJSA-N 1 3 333.520 2.491 10 30 EEEEHO C=CCOCCN1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001318437635 1332534314 /nfs/dbraw/zinc/53/43/14/1332534314.db2.gz RWRWAFCBCBXLRE-LJQANCHMSA-N 1 3 345.487 2.097 10 30 EEEEHO C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CNCC#Cc1ccccc1 ZINC001319859844 1332786147 /nfs/dbraw/zinc/78/61/47/1332786147.db2.gz CBQNASRFIKSKNB-QUCCMNQESA-N 1 3 341.499 2.207 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CN1CC[C@H](C)C1 ZINC001320550505 1332908175 /nfs/dbraw/zinc/90/81/75/1332908175.db2.gz XOJFSNFHMOYPES-GJZGRUSLSA-N 1 3 346.450 2.024 10 30 EEEEHO C=CCCC[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001323542227 1333485520 /nfs/dbraw/zinc/48/55/20/1333485520.db2.gz NHHJERVHNCKWBV-GOSISDBHSA-N 1 3 325.472 2.404 10 30 EEEEHO C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001324645196 1333730442 /nfs/dbraw/zinc/73/04/42/1333730442.db2.gz BPKZVWFRSDLISX-ROUUACIJSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001324645196 1333730447 /nfs/dbraw/zinc/73/04/47/1333730447.db2.gz BPKZVWFRSDLISX-ROUUACIJSA-N 1 3 325.472 2.356 10 30 EEEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001326467127 1334099411 /nfs/dbraw/zinc/09/94/11/1334099411.db2.gz FJSQZIKVQUMJHE-GPMSIDNRSA-N 1 3 327.472 2.317 10 30 EEEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001326467127 1334099414 /nfs/dbraw/zinc/09/94/14/1334099414.db2.gz FJSQZIKVQUMJHE-GPMSIDNRSA-N 1 3 327.472 2.317 10 30 EEEEHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)CCO1 ZINC001327035043 1334208375 /nfs/dbraw/zinc/20/83/75/1334208375.db2.gz NBYJCJQQHBMSNJ-MSOLQXFVSA-N 1 3 337.508 2.033 10 30 EEEEHO C=CCC[C@@H](C)[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001328485809 1334466380 /nfs/dbraw/zinc/46/63/80/1334466380.db2.gz NPEAUNAAHOLXNK-MSOLQXFVSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCC[C@@H](C)[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001328485809 1334466381 /nfs/dbraw/zinc/46/63/81/1334466381.db2.gz NPEAUNAAHOLXNK-MSOLQXFVSA-N 1 3 349.519 2.129 10 30 EEEEHO C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001569828843 1342954256 /nfs/dbraw/zinc/95/42/56/1342954256.db2.gz PIRUXDBFUSNSOI-LPHOPBHVSA-N 1 3 327.472 2.212 10 30 EEEEHO C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CN(C)C1CCC1 ZINC001668092143 1355868629 /nfs/dbraw/zinc/86/86/29/1355868629.db2.gz KASGYBGSXGFOOM-OAHLLOKOSA-N 1 3 328.460 2.027 10 30 EEEEHO CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001674554947 1356858190 /nfs/dbraw/zinc/85/81/90/1356858190.db2.gz VSEGLNHFZALALN-MHJFOBGBSA-N 1 3 341.499 2.109 10 30 EEEEHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001438551125 1091043109 /nfs/dbraw/zinc/04/31/09/1091043109.db2.gz YUINHYDTMNINNB-KBXCAEBGSA-N 1 3 348.466 2.125 10 30 EEEEHO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001480085540 1099637586 /nfs/dbraw/zinc/63/75/86/1099637586.db2.gz QPZWCKJBNCSLCT-OALUTQOASA-N 1 3 333.520 2.443 10 30 EEEEHO CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001480085540 1099637591 /nfs/dbraw/zinc/63/75/91/1099637591.db2.gz QPZWCKJBNCSLCT-OALUTQOASA-N 1 3 333.520 2.443 10 30 EEEEHO CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001480663461 1106840867 /nfs/dbraw/zinc/84/08/67/1106840867.db2.gz HPKVZXBRMNRQGW-WOJBJXKFSA-N 1 3 341.499 2.062 10 30 EEEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001467727532 1110462515 /nfs/dbraw/zinc/46/25/15/1110462515.db2.gz KIGBMOOKLBJZCZ-IBGZPJMESA-N 1 3 344.503 2.260 10 30 EEEEHO C=CCN(C)CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001467727532 1110462516 /nfs/dbraw/zinc/46/25/16/1110462516.db2.gz KIGBMOOKLBJZCZ-IBGZPJMESA-N 1 3 344.503 2.260 10 30 EEEEHO CC(C)N(C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001505850309 1114232490 /nfs/dbraw/zinc/23/24/90/1114232490.db2.gz RDQMKEPYKGLSDZ-UHFFFAOYSA-N 1 3 344.503 2.473 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2=CC[N@H+](CCCC=C)CC2)CC1 ZINC001508230883 1115455525 /nfs/dbraw/zinc/45/55/25/1115455525.db2.gz UZUJGQJTWKRTKS-UHFFFAOYSA-N 1 3 329.488 2.046 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2=CC[N@@H+](CCCC=C)CC2)CC1 ZINC001508230883 1115455526 /nfs/dbraw/zinc/45/55/26/1115455526.db2.gz UZUJGQJTWKRTKS-UHFFFAOYSA-N 1 3 329.488 2.046 10 30 EEEEHO C#CCN1CCC(C(=O)NCc2ccc(C[NH2+]CCC)cc2F)CC1 ZINC001508242184 1115458084 /nfs/dbraw/zinc/45/80/84/1115458084.db2.gz MWNIWOSNYOQIDQ-UHFFFAOYSA-N 1 3 345.462 2.287 10 30 EEEEHO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000597943366 468720144 /nfs/dbraw/zinc/72/01/44/468720144.db2.gz ZQFSNESPGWQQEF-SJORKVTESA-N 1 3 344.503 2.125 10 30 EEEEHO C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000597943366 468720149 /nfs/dbraw/zinc/72/01/49/468720149.db2.gz ZQFSNESPGWQQEF-SJORKVTESA-N 1 3 344.503 2.125 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000596163330 469182126 /nfs/dbraw/zinc/18/21/26/469182126.db2.gz KNGRAFKVRQSUIT-HOTGVXAUSA-N 1 3 345.491 2.190 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000596163330 469182132 /nfs/dbraw/zinc/18/21/32/469182132.db2.gz KNGRAFKVRQSUIT-HOTGVXAUSA-N 1 3 345.491 2.190 10 30 EEEEHO CN(C[C@@H](O)CC1(C#N)CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302799 469200751 /nfs/dbraw/zinc/20/07/51/469200751.db2.gz KIIUADKVJSFZRZ-OALUTQOASA-N 1 3 327.472 2.495 10 30 EEEEHO CN(C[C@@H](O)CC1(C#N)CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302799 469200757 /nfs/dbraw/zinc/20/07/57/469200757.db2.gz KIIUADKVJSFZRZ-OALUTQOASA-N 1 3 327.472 2.495 10 30 EEEEHO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000262022508 682877778 /nfs/dbraw/zinc/87/77/78/682877778.db2.gz ZBIZJHYAFOWEPY-QXDIGNSFSA-N 1 3 348.535 2.228 10 30 EEEEHO C[NH+]=C(NCc1ccon1)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000095974951 692892942 /nfs/dbraw/zinc/89/29/42/692892942.db2.gz JMNHYXFXVFPSGP-SFHVURJKSA-N 1 3 341.459 2.047 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001691427976 1178322832 /nfs/dbraw/zinc/32/28/32/1178322832.db2.gz HIQJZJWTKOYOFS-QRQLOZEOSA-N 1 3 331.504 2.099 10 30 EEEEHO CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001691427976 1178322840 /nfs/dbraw/zinc/32/28/40/1178322840.db2.gz HIQJZJWTKOYOFS-QRQLOZEOSA-N 1 3 331.504 2.099 10 30 EEEEHO C#CCCN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001481369372 1181145206 /nfs/dbraw/zinc/14/52/06/1181145206.db2.gz OWQCGWDRNWUDHC-YTQUADARSA-N 1 3 327.472 2.187 10 30 EEEEHO C#CCCN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001481369372 1181145209 /nfs/dbraw/zinc/14/52/09/1181145209.db2.gz OWQCGWDRNWUDHC-YTQUADARSA-N 1 3 327.472 2.187 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001268716725 1183636230 /nfs/dbraw/zinc/63/62/30/1183636230.db2.gz JKCCYJZRDRYABJ-JKSUJKDBSA-N 1 3 345.462 2.326 10 30 EEEEHO C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001269743091 1184581949 /nfs/dbraw/zinc/58/19/49/1184581949.db2.gz XLGYZUMWUISCAL-HXUWFJFHSA-N 1 3 333.520 2.446 10 30 EEEEHO C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CN(C)CCCCCC)C2)C1 ZINC001269743091 1184581958 /nfs/dbraw/zinc/58/19/58/1184581958.db2.gz XLGYZUMWUISCAL-HXUWFJFHSA-N 1 3 333.520 2.446 10 30 EEEEHO C=C(C)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1C(F)(F)F ZINC001284738501 1184754006 /nfs/dbraw/zinc/75/40/06/1184754006.db2.gz YZRQPCZGWAIZTG-UONOGXRCSA-N 1 3 335.414 2.273 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001270346004 1185035264 /nfs/dbraw/zinc/03/52/64/1185035264.db2.gz WGHGAYVBCIWUFH-MSOLQXFVSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccccc2F)CC1 ZINC001482368688 1185531072 /nfs/dbraw/zinc/53/10/72/1185531072.db2.gz RCIWWTBOSLFRTG-INIZCTEOSA-N 1 3 345.462 2.107 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001483226750 1189479042 /nfs/dbraw/zinc/47/90/42/1189479042.db2.gz HYEFHUKMZPWXCW-BBRMVZONSA-N 1 3 334.489 2.087 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001483226750 1189479047 /nfs/dbraw/zinc/47/90/47/1189479047.db2.gz HYEFHUKMZPWXCW-BBRMVZONSA-N 1 3 334.489 2.087 10 30 EEEEHO CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001483818261 1191046909 /nfs/dbraw/zinc/04/69/09/1191046909.db2.gz HNVZYKFSPGLDAO-IBGZPJMESA-N 1 3 333.520 2.299 10 30 EEEEHO CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 ZINC001483818261 1191046911 /nfs/dbraw/zinc/04/69/11/1191046911.db2.gz HNVZYKFSPGLDAO-IBGZPJMESA-N 1 3 333.520 2.299 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCCC=C)CC1 ZINC001483987674 1191143452 /nfs/dbraw/zinc/14/34/52/1191143452.db2.gz ZIKDMHWSJBBUJT-SFHVURJKSA-N 1 3 331.504 2.221 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001484356289 1191316520 /nfs/dbraw/zinc/31/65/20/1191316520.db2.gz BYMKXGXNWWGGST-ICSRJNTNSA-N 1 3 341.499 2.205 10 30 EEEEHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001485217476 1191689599 /nfs/dbraw/zinc/68/95/99/1191689599.db2.gz SCPAIUALYOQSTN-ZIAGYGMSSA-N 1 3 334.439 2.022 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000876754567 1199757987 /nfs/dbraw/zinc/75/79/87/1199757987.db2.gz SRBIKEUMBZZPRD-MRXNPFEDSA-N 1 3 339.867 2.103 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353898 1199911850 /nfs/dbraw/zinc/91/18/50/1199911850.db2.gz WDHGABGYPMSJQP-JENIJYKNSA-N 1 3 347.890 2.437 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353898 1199911853 /nfs/dbraw/zinc/91/18/53/1199911853.db2.gz WDHGABGYPMSJQP-JENIJYKNSA-N 1 3 347.890 2.437 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037119460 1213851468 /nfs/dbraw/zinc/85/14/68/1213851468.db2.gz CSQYWLWMDBQHGW-PMACEKPBSA-N 1 3 345.531 2.396 10 30 EEEEHO CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)CN(C)CC(C)(C)C ZINC001273610849 1281138839 /nfs/dbraw/zinc/13/88/39/1281138839.db2.gz QYZCPZQCMSCGDO-UHFFFAOYSA-N 1 3 344.503 2.474 10 30 EEEEHO CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCCN1CC ZINC001273771146 1285326952 /nfs/dbraw/zinc/32/69/52/1285326952.db2.gz ABSDRLZYSDNANH-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001278157701 1306134957 /nfs/dbraw/zinc/13/49/57/1306134957.db2.gz TYZRIQKREZWVRW-UHFFFAOYSA-N 1 3 345.531 2.443 10 30 EEEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001278183973 1306208949 /nfs/dbraw/zinc/20/89/49/1306208949.db2.gz FQLOEKTXJUAXQB-WAYWQWQTSA-N 1 3 328.460 2.235 10 30 EEEEHO C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001278747708 1317957590 /nfs/dbraw/zinc/95/75/90/1317957590.db2.gz RZYOEZDSBZJABU-HUUCEWRRSA-N 1 3 331.451 2.366 10 30 EEEEHO C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001278747708 1317957587 /nfs/dbraw/zinc/95/75/87/1317957587.db2.gz RZYOEZDSBZJABU-HUUCEWRRSA-N 1 3 331.451 2.366 10 30 EEEEHO C=CCN1CCC(NC(=O)c2ccc([C@H]3CCCC[NH2+]3)n2C)CC1 ZINC001263100675 1322433831 /nfs/dbraw/zinc/43/38/31/1322433831.db2.gz UPGJMBPRVZRXKT-MRXNPFEDSA-N 1 3 330.476 2.220 10 30 EEEEHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1)N(C)C ZINC001264437242 1322701708 /nfs/dbraw/zinc/70/17/08/1322701708.db2.gz XOPDBNPFHHSQEL-BHIYHBOVSA-N 1 3 345.462 2.002 10 30 EEEEHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]Cc1cc(C#N)ccc1F ZINC001492083646 1330991347 /nfs/dbraw/zinc/99/13/47/1330991347.db2.gz MGEZPASFHDTEKR-LSDHHAIUSA-N 1 3 346.450 2.024 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CC/C=C\CC)C2)CC1 ZINC001317994727 1332459613 /nfs/dbraw/zinc/45/96/13/1332459613.db2.gz WPKWSYJSZVRQQY-VOFKWLDRSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CC/C=C\CC)C2)CC1 ZINC001317994727 1332459614 /nfs/dbraw/zinc/45/96/14/1332459614.db2.gz WPKWSYJSZVRQQY-VOFKWLDRSA-N 1 3 331.504 2.269 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319285714 1332675615 /nfs/dbraw/zinc/67/56/15/1332675615.db2.gz PHXZTEUTMJGZHL-AZUAARDMSA-N 1 3 341.499 2.254 10 30 EEEEHO C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CN(C)C1CCC1 ZINC001320444981 1332885224 /nfs/dbraw/zinc/88/52/24/1332885224.db2.gz DJBCIWBERRMCJE-CQSZACIVSA-N 1 3 346.450 2.166 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001320612564 1332920631 /nfs/dbraw/zinc/92/06/31/1332920631.db2.gz BVJYFKRHQZBPCQ-CJNGLKHVSA-N 1 3 336.505 2.190 10 30 EEEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001324440473 1333684120 /nfs/dbraw/zinc/68/41/20/1333684120.db2.gz WXYZKPDQYPDRDG-DOTOQJQBSA-N 1 3 325.472 2.001 10 30 EEEEHO CC#CCN1CCC(C)(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001569575629 1342900310 /nfs/dbraw/zinc/90/03/10/1342900310.db2.gz YRLAJNZIJXGKFT-IBGZPJMESA-N 1 3 337.483 2.193 10 30 EEEEHO CC#CCN1CCC(C)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001569575629 1342900313 /nfs/dbraw/zinc/90/03/13/1342900313.db2.gz YRLAJNZIJXGKFT-IBGZPJMESA-N 1 3 337.483 2.193 10 30 EEEEHO CC(C)N(CC#Cc1ccccc1)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001649440183 1353506082 /nfs/dbraw/zinc/50/60/82/1353506082.db2.gz JXEPGFUQRTVCOD-FQEVSTJZSA-N 1 3 341.499 2.207 10 30 EEEEHO CC(C)N(CC#Cc1ccccc1)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001649440183 1353506086 /nfs/dbraw/zinc/50/60/86/1353506086.db2.gz JXEPGFUQRTVCOD-FQEVSTJZSA-N 1 3 341.499 2.207 10 30 EEEEHO CC#CCN1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001661067945 1354584854 /nfs/dbraw/zinc/58/48/54/1354584854.db2.gz CATRISUKPJPEDL-SFHVURJKSA-N 1 3 345.531 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](Cc2ccccc2)C2CC2)CC1 ZINC001663777081 1355030575 /nfs/dbraw/zinc/03/05/75/1355030575.db2.gz GGANZUODGSWJFZ-UHFFFAOYSA-N 1 3 339.483 2.112 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC001663777081 1355030581 /nfs/dbraw/zinc/03/05/81/1355030581.db2.gz GGANZUODGSWJFZ-UHFFFAOYSA-N 1 3 339.483 2.112 10 30 EEEEHO CN1CCN(c2cc(CNCc3csc(C#N)c3)ccn2)CC1 ZINC000921537316 789119862 /nfs/dbraw/zinc/11/98/62/789119862.db2.gz AUQXIRDQNGLSBA-UHFFFAOYSA-N 1 3 327.457 2.056 10 30 EEEEHO CN1CCN(c2cc(C[NH2+]Cc3csc(C#N)c3)ccn2)CC1 ZINC000921537316 789119871 /nfs/dbraw/zinc/11/98/71/789119871.db2.gz AUQXIRDQNGLSBA-UHFFFAOYSA-N 1 3 327.457 2.056 10 30 EEEEHO CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)N(C)C ZINC001437949099 1090546026 /nfs/dbraw/zinc/54/60/26/1090546026.db2.gz OITARJHAKAAIMB-RTBURBONSA-N 1 3 342.487 2.227 10 30 EEEEHO CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)N(C)C ZINC001437949099 1090546031 /nfs/dbraw/zinc/54/60/31/1090546031.db2.gz OITARJHAKAAIMB-RTBURBONSA-N 1 3 342.487 2.227 10 30 EEEEHO C=C(Br)CNC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+](C)C ZINC001438777309 1091368980 /nfs/dbraw/zinc/36/89/80/1091368980.db2.gz UNJKHCXUJYHVJZ-OCCSQVGLSA-N 1 3 346.313 2.063 10 30 EEEEHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccc(C#N)c(F)c1 ZINC001441858982 1095958556 /nfs/dbraw/zinc/95/85/56/1095958556.db2.gz JSWODMZVJCHGLY-YOEHRIQHSA-N 1 3 346.450 2.166 10 30 EEEEHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccc(C#N)c(F)c1 ZINC001441858982 1095958566 /nfs/dbraw/zinc/95/85/66/1095958566.db2.gz JSWODMZVJCHGLY-YOEHRIQHSA-N 1 3 346.450 2.166 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001447627602 1102996463 /nfs/dbraw/zinc/99/64/63/1102996463.db2.gz MJIWHDSBKQLIBH-APWZRJJASA-N 1 3 342.487 2.368 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001447627602 1102996469 /nfs/dbraw/zinc/99/64/69/1102996469.db2.gz MJIWHDSBKQLIBH-APWZRJJASA-N 1 3 342.487 2.368 10 30 EEEEHO CC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001502406951 1113671379 /nfs/dbraw/zinc/67/13/79/1113671379.db2.gz WUEBFKXNFMHSLU-RBUKOAKNSA-N 1 3 345.531 2.445 10 30 EEEEHO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001506861658 1114927848 /nfs/dbraw/zinc/92/78/48/1114927848.db2.gz WGMRPFPIWVDVEI-XHSDSOJGSA-N 1 3 339.911 2.440 10 30 EEEEHO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(N(C)C)CCC3)C[C@@H]2C1 ZINC001506861658 1114927851 /nfs/dbraw/zinc/92/78/51/1114927851.db2.gz WGMRPFPIWVDVEI-XHSDSOJGSA-N 1 3 339.911 2.440 10 30 EEEEHO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC001506869071 1114939634 /nfs/dbraw/zinc/93/96/34/1114939634.db2.gz QFXJGHXHGJRWNT-RLLQIKCJSA-N 1 3 333.520 2.465 10 30 EEEEHO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CN3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC001506869071 1114939638 /nfs/dbraw/zinc/93/96/38/1114939638.db2.gz QFXJGHXHGJRWNT-RLLQIKCJSA-N 1 3 333.520 2.465 10 30 EEEEHO C=CCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001506871619 1114942154 /nfs/dbraw/zinc/94/21/54/1114942154.db2.gz AHZVOMJBWNOROJ-MSOLQXFVSA-N 1 3 349.519 2.034 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594441088 468589341 /nfs/dbraw/zinc/58/93/41/468589341.db2.gz MMDSUNHUAZVVTO-RTBURBONSA-N 1 3 342.487 2.426 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594441088 468589342 /nfs/dbraw/zinc/58/93/42/468589342.db2.gz MMDSUNHUAZVVTO-RTBURBONSA-N 1 3 342.487 2.426 10 30 EEEEHO C[NH+](C)CCC[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000598540313 468906640 /nfs/dbraw/zinc/90/66/40/468906640.db2.gz NXFQNFVNMLZYAZ-MOPGFXCFSA-N 1 3 343.471 2.328 10 30 EEEEHO C=CC[C@]1(C(=O)NCC2(N3CCC(OC)CC3)CCCC2)CCC[NH2+]1 ZINC000662726458 472223868 /nfs/dbraw/zinc/22/38/68/472223868.db2.gz PZUVEXSUVTTXSO-HXUWFJFHSA-N 1 3 349.519 2.225 10 30 EEEEHO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000089062076 526389072 /nfs/dbraw/zinc/38/90/72/526389072.db2.gz OWASONRWMWHTQT-CQSZACIVSA-N 1 3 335.521 2.442 10 30 EEEEHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001266725581 1177310408 /nfs/dbraw/zinc/31/04/08/1177310408.db2.gz MDRRXEUOHIULSB-HDICACEKSA-N 1 3 347.890 2.270 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266939299 1177852462 /nfs/dbraw/zinc/85/24/62/1177852462.db2.gz FBMJXBLIUBKXPD-PKOBYXMFSA-N 1 3 327.472 2.005 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266939299 1177852468 /nfs/dbraw/zinc/85/24/68/1177852468.db2.gz FBMJXBLIUBKXPD-PKOBYXMFSA-N 1 3 327.472 2.005 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)[C@@H](C)CNCC#Cc1ccc(F)cc1)[NH+](C)C ZINC001271183314 1186066889 /nfs/dbraw/zinc/06/68/89/1186066889.db2.gz YKGJEPCJFZPPPX-QFBILLFUSA-N 1 3 347.478 2.200 10 30 EEEEHO CC[N@H+](C)CCC(=O)N(C)C1CC(NCC#Cc2ccc(F)cc2)C1 ZINC001486480520 1193995117 /nfs/dbraw/zinc/99/51/17/1193995117.db2.gz VARSOWCTWYVTSI-UHFFFAOYSA-N 1 3 345.462 2.098 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N(C)C1CC(NCC#Cc2ccc(F)cc2)C1 ZINC001486480520 1193995120 /nfs/dbraw/zinc/99/51/20/1193995120.db2.gz VARSOWCTWYVTSI-UHFFFAOYSA-N 1 3 345.462 2.098 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000877133514 1199867393 /nfs/dbraw/zinc/86/73/93/1199867393.db2.gz DQXLKRPUNUCFMA-JQFCIGGWSA-N 1 3 335.879 2.341 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000877133514 1199867394 /nfs/dbraw/zinc/86/73/94/1199867394.db2.gz DQXLKRPUNUCFMA-JQFCIGGWSA-N 1 3 335.879 2.341 10 30 EEEEHO C[NH+]1CCC(CC(=O)NC/C=C/CNCc2cccc(C#N)c2)CC1 ZINC001274412104 1205025807 /nfs/dbraw/zinc/02/58/07/1205025807.db2.gz DNXPTSUCURIBBX-NSCUHMNNSA-N 1 3 340.471 2.052 10 30 EEEEHO C[NH+]1CCC(CC(=O)NC/C=C\CNCc2cccc(C#N)c2)CC1 ZINC001274412103 1205025922 /nfs/dbraw/zinc/02/59/22/1205025922.db2.gz DNXPTSUCURIBBX-IHWYPQMZSA-N 1 3 340.471 2.052 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001275571647 1205422651 /nfs/dbraw/zinc/42/26/51/1205422651.db2.gz QJKQBRFAQMGQNT-SJORKVTESA-N 1 3 331.504 2.315 10 30 EEEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1c[nH]c2cccc(C)c12 ZINC000303971857 1213933716 /nfs/dbraw/zinc/93/37/16/1213933716.db2.gz FFINMEQGPKXEAD-INIZCTEOSA-N 1 3 327.476 2.407 10 30 EEEEHO C=C(Br)CN[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001490902669 1254315951 /nfs/dbraw/zinc/31/59/51/1254315951.db2.gz PJOICCFRGJYTJI-IHRRRGAJSA-N 1 3 344.297 2.006 10 30 EEEEHO C=C(Br)CN[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001490902669 1254315961 /nfs/dbraw/zinc/31/59/61/1254315961.db2.gz PJOICCFRGJYTJI-IHRRRGAJSA-N 1 3 344.297 2.006 10 30 EEEEHO CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001490985417 1258543048 /nfs/dbraw/zinc/54/30/48/1258543048.db2.gz YTVSDDJZDAFFRP-RTBURBONSA-N 1 3 331.504 2.199 10 30 EEEEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852883920 1292224077 /nfs/dbraw/zinc/22/40/77/1292224077.db2.gz BBVXMXNVDDFKMC-SFHVURJKSA-N 1 3 339.483 2.112 10 30 EEEEHO C=CC[NH+]1CCC(NC(=O)C[C@H](N)c2ccccc2OCC)CC1 ZINC001263100078 1322433484 /nfs/dbraw/zinc/43/34/84/1322433484.db2.gz CSFKNPLHJIEVAW-KRWDZBQOSA-N 1 3 331.460 2.242 10 30 EEEEHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCC#Cc1ccc(F)cc1)[NH+](C)C ZINC001283617709 1326165080 /nfs/dbraw/zinc/16/50/80/1326165080.db2.gz KPGJTSMMQZCTKI-APWZRJJASA-N 1 3 347.478 2.200 10 30 EEEEHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1ccc(C#N)c(F)c1 ZINC001316897859 1331963452 /nfs/dbraw/zinc/96/34/52/1331963452.db2.gz QPYAOTKUIBADRQ-GOSISDBHSA-N 1 3 346.450 2.120 10 30 EEEEHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1ccc(C#N)c(F)c1 ZINC001316897859 1331963454 /nfs/dbraw/zinc/96/34/54/1331963454.db2.gz QPYAOTKUIBADRQ-GOSISDBHSA-N 1 3 346.450 2.120 10 30 EEEEHO C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317180972 1332118215 /nfs/dbraw/zinc/11/82/15/1332118215.db2.gz NRXMDPRHEZVTDG-RTBURBONSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317180971 1332118278 /nfs/dbraw/zinc/11/82/78/1332118278.db2.gz NRXMDPRHEZVTDG-RBUKOAKNSA-N 1 3 333.520 2.491 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001320414968 1332878797 /nfs/dbraw/zinc/87/87/97/1332878797.db2.gz NMSQTJYHQFQLGW-QFBILLFUSA-N 1 3 342.487 2.415 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCNCc1ccccc1C#N ZINC001320414968 1332878799 /nfs/dbraw/zinc/87/87/99/1332878799.db2.gz NMSQTJYHQFQLGW-QFBILLFUSA-N 1 3 342.487 2.415 10 30 EEEEHO C[C@@H](CCNCc1ccccc1C#N)NC(=O)CC[NH+]1CCCCC1 ZINC001320645176 1332928207 /nfs/dbraw/zinc/92/82/07/1332928207.db2.gz QFUINKPLBGNDRI-KRWDZBQOSA-N 1 3 342.487 2.419 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)CCC[NH2+]CCC(F)(F)F)CC1 ZINC001330988412 1334941591 /nfs/dbraw/zinc/94/15/91/1334941591.db2.gz OAVOHMOOPWRLQK-CQSZACIVSA-N 1 3 347.425 2.159 10 30 EEEEHO C#CCN1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001332950024 1335936241 /nfs/dbraw/zinc/93/62/41/1335936241.db2.gz PNXQJPDZQHUQIJ-QGZVFWFLSA-N 1 3 333.520 2.348 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001669289250 1356140700 /nfs/dbraw/zinc/14/07/00/1356140700.db2.gz USHPWKRSIKZCTB-MJGOQNOKSA-N 1 3 327.472 2.005 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001669289250 1356140701 /nfs/dbraw/zinc/14/07/01/1356140701.db2.gz USHPWKRSIKZCTB-MJGOQNOKSA-N 1 3 327.472 2.005 10 30 EEEEHO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001672433301 1356522382 /nfs/dbraw/zinc/52/23/82/1356522382.db2.gz BYRKEZLEJYLXKX-QRVBRYPASA-N 1 3 333.520 2.465 10 30 EEEEHO C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@@H](C)C3)C[C@H]2C1 ZINC001672433301 1356522385 /nfs/dbraw/zinc/52/23/85/1356522385.db2.gz BYRKEZLEJYLXKX-QRVBRYPASA-N 1 3 333.520 2.465 10 30 EEEEHO C#CC[NH2+]C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1CCCC1 ZINC001699798721 1405490063 /nfs/dbraw/zinc/49/00/63/1405490063.db2.gz KAISRFIDAOJSTJ-IBGZPJMESA-N 1 3 327.472 2.260 10 30 EEEEHO CCN(CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC001437598752 1090106615 /nfs/dbraw/zinc/10/66/15/1090106615.db2.gz YZHPQMQHPKXYDQ-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO CCN(CCNC(=O)CC[C@@H]1CCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC001437598752 1090106618 /nfs/dbraw/zinc/10/66/18/1090106618.db2.gz YZHPQMQHPKXYDQ-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001440364261 1093529677 /nfs/dbraw/zinc/52/96/77/1093529677.db2.gz YUWYTGJEAXDACZ-JCNLHEQBSA-N 1 3 346.450 2.022 10 30 EEEEHO C=C(Cl)CNCC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001444061749 1098583709 /nfs/dbraw/zinc/58/37/09/1098583709.db2.gz NVIQAZUWWSAWHE-OAHLLOKOSA-N 1 3 325.884 2.099 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccsc2)CC1 ZINC001496239271 1100807111 /nfs/dbraw/zinc/80/71/11/1100807111.db2.gz QSPOKOOHDGHFLL-HNNXBMFYSA-N 1 3 333.501 2.030 10 30 EEEEHO CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001495389105 1101108380 /nfs/dbraw/zinc/10/83/80/1101108380.db2.gz BVBXYWDWJZNXLZ-RTBURBONSA-N 1 3 333.520 2.491 10 30 EEEEHO CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001495389104 1101108818 /nfs/dbraw/zinc/10/88/18/1101108818.db2.gz BVBXYWDWJZNXLZ-RBUKOAKNSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC[C@@H](C)F)CCCC2)CC1 ZINC001495964068 1101848634 /nfs/dbraw/zinc/84/86/34/1101848634.db2.gz XNLHZPOKAPJTNV-MRXNPFEDSA-N 1 3 337.483 2.098 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC001497331607 1102337371 /nfs/dbraw/zinc/33/73/71/1102337371.db2.gz MWGLXXZVSSHQBA-INIZCTEOSA-N 1 3 345.462 2.155 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cccc(SCC#N)c1 ZINC001470025890 1110500302 /nfs/dbraw/zinc/50/03/02/1110500302.db2.gz IMQZZSRJSJJHOF-HNNXBMFYSA-N 1 3 348.516 2.304 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cccc(SCC#N)c1 ZINC001470025890 1110500304 /nfs/dbraw/zinc/50/03/04/1110500304.db2.gz IMQZZSRJSJJHOF-HNNXBMFYSA-N 1 3 348.516 2.304 10 30 EEEEHO CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001501145584 1113214282 /nfs/dbraw/zinc/21/42/82/1113214282.db2.gz CHLUEIFWZFNVHC-APWZRJJASA-N 1 3 342.487 2.084 10 30 EEEEHO CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)CC1 ZINC001501186323 1113233448 /nfs/dbraw/zinc/23/34/48/1113233448.db2.gz ISCCSOMKFIUUSF-IYARVYRRSA-N 1 3 335.536 2.500 10 30 EEEEHO C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001501663071 1113422125 /nfs/dbraw/zinc/42/21/25/1113422125.db2.gz LUHKBJVNSRZKMA-HXUWFJFHSA-N 1 3 339.483 2.100 10 30 EEEEHO C#CCC[NH2+][C@H](CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001506989182 1115035182 /nfs/dbraw/zinc/03/51/82/1115035182.db2.gz BHROQQVHNZJHOD-VQIMIIECSA-N 1 3 339.499 2.343 10 30 EEEEHO CC[NH+]1CCC(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280289071 270016741 /nfs/dbraw/zinc/01/67/41/270016741.db2.gz GLRXMHPNGKRHKH-LJQANCHMSA-N 1 3 338.455 2.479 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@@](C)(CNCc1ccc(C#N)cc1F)C1CC1 ZINC001481939819 1182996917 /nfs/dbraw/zinc/99/69/17/1182996917.db2.gz CATQQONRKPRLEE-IBGZPJMESA-N 1 3 346.450 2.024 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268646021 1183575728 /nfs/dbraw/zinc/57/57/28/1183575728.db2.gz MZVZEMHZBFXFAI-APWZRJJASA-N 1 3 345.462 2.144 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268646021 1183575731 /nfs/dbraw/zinc/57/57/31/1183575731.db2.gz MZVZEMHZBFXFAI-APWZRJJASA-N 1 3 345.462 2.144 10 30 EEEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485824284 1193457688 /nfs/dbraw/zinc/45/76/88/1193457688.db2.gz JZWLKHDXJQUMAY-CWRNSKLLSA-N 1 3 327.900 2.296 10 30 EEEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485824284 1193457690 /nfs/dbraw/zinc/45/76/90/1193457690.db2.gz JZWLKHDXJQUMAY-CWRNSKLLSA-N 1 3 327.900 2.296 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001483244502 1190273074 /nfs/dbraw/zinc/27/30/74/1190273074.db2.gz ZJMWXSBTHJOHAK-YOEHRIQHSA-N 1 3 348.516 2.334 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCc1ccc(C#N)s1 ZINC001483244502 1190273078 /nfs/dbraw/zinc/27/30/78/1190273078.db2.gz ZJMWXSBTHJOHAK-YOEHRIQHSA-N 1 3 348.516 2.334 10 30 EEEEHO C=CCN(C)Cc1ccccc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272669971 1191007609 /nfs/dbraw/zinc/00/76/09/1191007609.db2.gz LBSNZSNHIHFLBT-IBGZPJMESA-N 1 3 327.472 2.262 10 30 EEEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001483986988 1191143196 /nfs/dbraw/zinc/14/31/96/1191143196.db2.gz AJXZVFWAIDYFFW-UHFFFAOYSA-N 1 3 342.487 2.459 10 30 EEEEHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C(C)(C)C1 ZINC001411022308 1198706266 /nfs/dbraw/zinc/70/62/66/1198706266.db2.gz QMGXLUCMQFLKRB-GOSISDBHSA-N 1 3 342.487 2.225 10 30 EEEEHO C#CCN1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001277466348 1303450744 /nfs/dbraw/zinc/45/07/44/1303450744.db2.gz YIWGCCLLQOEXDM-HXUWFJFHSA-N 1 3 345.531 2.446 10 30 EEEEHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](F)CN(CC)CC)C2 ZINC001281088256 1324758148 /nfs/dbraw/zinc/75/81/48/1324758148.db2.gz RIGUXFQKSXJVEQ-AEFFLSMTSA-N 1 3 325.472 2.167 10 30 EEEEHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](F)CN(CC)CC)C2 ZINC001281088256 1324758151 /nfs/dbraw/zinc/75/81/51/1324758151.db2.gz RIGUXFQKSXJVEQ-AEFFLSMTSA-N 1 3 325.472 2.167 10 30 EEEEHO C=C(C)CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CN1CCCC1)CC2 ZINC001283010787 1325881312 /nfs/dbraw/zinc/88/13/12/1325881312.db2.gz GEORYXKULFCAHZ-SFHVURJKSA-N 1 3 349.519 2.036 10 30 EEEEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001491964870 1330359587 /nfs/dbraw/zinc/35/95/87/1330359587.db2.gz CSUWWVYHCWGDJM-IBGZPJMESA-N 1 3 342.487 2.321 10 30 EEEEHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001491964870 1330359592 /nfs/dbraw/zinc/35/95/92/1330359592.db2.gz CSUWWVYHCWGDJM-IBGZPJMESA-N 1 3 342.487 2.321 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCC=C)[C@@H]2CC)CC1 ZINC001316742900 1331867988 /nfs/dbraw/zinc/86/79/88/1331867988.db2.gz YFPBBWAYSQVGIN-RBUKOAKNSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCC=C)[C@@H]2CC)CC1 ZINC001316742900 1331867991 /nfs/dbraw/zinc/86/79/91/1331867991.db2.gz YFPBBWAYSQVGIN-RBUKOAKNSA-N 1 3 331.504 2.267 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001318805944 1332601728 /nfs/dbraw/zinc/60/17/28/1332601728.db2.gz TYFRRHCDSBJBDC-NVXWUHKLSA-N 1 3 339.911 2.299 10 30 EEEEHO C=C(C)CN[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001333023136 1335949495 /nfs/dbraw/zinc/94/94/95/1335949495.db2.gz YFJYKZKHSBVCBR-KBPBESRZSA-N 1 3 335.414 2.273 10 30 EEEEHO C=C(C)CN[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001333023136 1335949498 /nfs/dbraw/zinc/94/94/98/1335949498.db2.gz YFJYKZKHSBVCBR-KBPBESRZSA-N 1 3 335.414 2.273 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001567504605 1342773891 /nfs/dbraw/zinc/77/38/91/1342773891.db2.gz QAXXNNXKQTVWGY-MRXNPFEDSA-N 1 3 334.489 2.042 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001567504605 1342773896 /nfs/dbraw/zinc/77/38/96/1342773896.db2.gz QAXXNNXKQTVWGY-MRXNPFEDSA-N 1 3 334.489 2.042 10 30 EEEEHO CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]21 ZINC001676845666 1357219097 /nfs/dbraw/zinc/21/90/97/1357219097.db2.gz MBHZRIHKKPTKDH-OKZBNKHCSA-N 1 3 333.520 2.204 10 30 EEEEHO C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001664835764 1355239244 /nfs/dbraw/zinc/23/92/44/1355239244.db2.gz LZMMSSFKWMFNQY-LPHOPBHVSA-N 1 3 337.483 2.003 10 30 EEEEHO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001664835764 1355239251 /nfs/dbraw/zinc/23/92/51/1355239251.db2.gz LZMMSSFKWMFNQY-LPHOPBHVSA-N 1 3 337.483 2.003 10 30 EEEEHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001666563808 1355545645 /nfs/dbraw/zinc/54/56/45/1355545645.db2.gz WCASOOCOQKETEJ-MRXNPFEDSA-N 1 3 345.462 2.003 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001668455319 1355944747 /nfs/dbraw/zinc/94/47/47/1355944747.db2.gz JIUZFVJMQOYVPG-OAHLLOKOSA-N 1 3 348.516 2.432 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001668455319 1355944749 /nfs/dbraw/zinc/94/47/49/1355944749.db2.gz JIUZFVJMQOYVPG-OAHLLOKOSA-N 1 3 348.516 2.432 10 30 EEEEHO C=CCOCC[NH2+][C@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001673928059 1356761187 /nfs/dbraw/zinc/76/11/87/1356761187.db2.gz ANFDCELMABVECV-APWZRJJASA-N 1 3 345.487 2.001 10 30 EEEEHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccc(F)c(C#N)c1 ZINC001437169996 1089192323 /nfs/dbraw/zinc/19/23/23/1089192323.db2.gz WGMVWULKVWAKQN-WMLDXEAASA-N 1 3 346.450 2.166 10 30 EEEEHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccc(F)c(C#N)c1 ZINC001437169996 1089192326 /nfs/dbraw/zinc/19/23/26/1089192326.db2.gz WGMVWULKVWAKQN-WMLDXEAASA-N 1 3 346.450 2.166 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001495496491 1101206769 /nfs/dbraw/zinc/20/67/69/1101206769.db2.gz WULBCUPHJMXJED-KRWDZBQOSA-N 1 3 327.472 2.290 10 30 EEEEHO C[NH+](C)CCCC(=O)NCC1(NCc2ccc(C#N)c(F)c2)CCC1 ZINC001447231761 1102248819 /nfs/dbraw/zinc/24/88/19/1102248819.db2.gz STEQJLDAPJUAMW-UHFFFAOYSA-N 1 3 346.450 2.168 10 30 EEEEHO C#CCC[N@H+]1CC[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001494081732 1103493000 /nfs/dbraw/zinc/49/30/00/1103493000.db2.gz BWQHUBCQZFWXDS-QGZVFWFLSA-N 1 3 327.472 2.213 10 30 EEEEHO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(CN(C)C)c2)C1 ZINC001494081732 1103493002 /nfs/dbraw/zinc/49/30/02/1103493002.db2.gz BWQHUBCQZFWXDS-QGZVFWFLSA-N 1 3 327.472 2.213 10 30 EEEEHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001480769847 1107080838 /nfs/dbraw/zinc/08/08/38/1107080838.db2.gz FPUQCBMGFBMIOT-MRXNPFEDSA-N 1 3 345.462 2.146 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC001480813960 1107166028 /nfs/dbraw/zinc/16/60/28/1107166028.db2.gz PRUKLLVOABIEOY-MRXNPFEDSA-N 1 3 345.462 2.155 10 30 EEEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001499066433 1108528793 /nfs/dbraw/zinc/52/87/93/1108528793.db2.gz IDAULUDBRGRFIS-MAUKXSAKSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCCCN1CC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001499066433 1108528803 /nfs/dbraw/zinc/52/88/03/1108528803.db2.gz IDAULUDBRGRFIS-MAUKXSAKSA-N 1 3 325.472 2.356 10 30 EEEEHO C#CCC[C@H](O)C[NH2+]Cc1ccccc1N1CCN(CCC)CC1 ZINC001461729520 1110347080 /nfs/dbraw/zinc/34/70/80/1110347080.db2.gz MXQAZTSHPLVWJP-IBGZPJMESA-N 1 3 329.488 2.083 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCCCC=C)CC1 ZINC001567866634 1124148450 /nfs/dbraw/zinc/14/84/50/1124148450.db2.gz TVRSUWWYGWRVJK-PMACEKPBSA-N 1 3 343.515 2.363 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCCCC=C)CC1 ZINC001567866634 1124148455 /nfs/dbraw/zinc/14/84/55/1124148455.db2.gz TVRSUWWYGWRVJK-PMACEKPBSA-N 1 3 343.515 2.363 10 30 EEEEHO CN1CCC(O)(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352811485 277032309 /nfs/dbraw/zinc/03/23/09/277032309.db2.gz SHVKHRRPLIDIQE-UHFFFAOYSA-N 1 3 327.350 2.123 10 30 EEEEHO C=CCN(CC=C)[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)C(C)C ZINC000417058328 466767742 /nfs/dbraw/zinc/76/77/42/466767742.db2.gz FJRLHUQHDCGTNB-MSOLQXFVSA-N 1 3 334.508 2.221 10 30 EEEEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H](N)CCCCC#N ZINC000602583715 469371766 /nfs/dbraw/zinc/37/17/66/469371766.db2.gz RVFRMFXVNNFQMM-BHIYHBOVSA-N 1 3 342.487 2.282 10 30 EEEEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H](N)CCCCC#N ZINC000602583715 469371771 /nfs/dbraw/zinc/37/17/71/469371771.db2.gz RVFRMFXVNNFQMM-BHIYHBOVSA-N 1 3 342.487 2.282 10 30 EEEEHO C=CC[C@@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000623564671 469695423 /nfs/dbraw/zinc/69/54/23/469695423.db2.gz MYOFSWHIZMKWLT-MRXNPFEDSA-N 1 3 334.508 2.153 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659450831 471634203 /nfs/dbraw/zinc/63/42/03/471634203.db2.gz YLEFXYVWRGRJHN-GOSISDBHSA-N 1 3 348.535 2.448 10 30 EEEEHO C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261980230 676885612 /nfs/dbraw/zinc/88/56/12/676885612.db2.gz OSRANVZDJDOLGY-YLLORCDKSA-N 1 3 340.515 2.466 10 30 EEEEHO C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261997695 682763296 /nfs/dbraw/zinc/76/32/96/682763296.db2.gz SWJFDTAYBLBNOY-WOSRLPQWSA-N 1 3 335.496 2.289 10 30 EEEEHO C[NH+]=C(NCc1ccn(C2CCCC2)n1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000262015853 682848554 /nfs/dbraw/zinc/84/85/54/682848554.db2.gz XSSXMAWYYUEDLW-CRAIPNDOSA-N 1 3 346.523 2.392 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)CCC[NH2+]Cc2ccccc2)CC1 ZINC001485752434 1191922404 /nfs/dbraw/zinc/92/24/04/1191922404.db2.gz VTWYUNJMGGFACL-SFHVURJKSA-N 1 3 341.499 2.406 10 30 EEEEHO CC[N@H+](C)CCC(=O)NC[C@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC001266436449 1176532566 /nfs/dbraw/zinc/53/25/66/1176532566.db2.gz DPBQQBFRHBNLDV-IBGZPJMESA-N 1 3 345.462 2.003 10 30 EEEEHO CC[N@@H+](C)CCC(=O)NC[C@H](NCC#Cc1ccc(F)cc1)C1CC1 ZINC001266436449 1176532574 /nfs/dbraw/zinc/53/25/74/1176532574.db2.gz DPBQQBFRHBNLDV-IBGZPJMESA-N 1 3 345.462 2.003 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@](C)(C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC001481952745 1183023585 /nfs/dbraw/zinc/02/35/85/1183023585.db2.gz TWZXVFADHAHLEX-GOSISDBHSA-N 1 3 348.516 2.334 10 30 EEEEHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC#Cc1ccc(F)cc1 ZINC001269460540 1184282791 /nfs/dbraw/zinc/28/27/91/1184282791.db2.gz JINQTIHLOJTKST-SFHVURJKSA-N 1 3 345.462 2.003 10 30 EEEEHO C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)CN(C)C2CCC2)cc1 ZINC001484558596 1191414676 /nfs/dbraw/zinc/41/46/76/1191414676.db2.gz JOYAHNJBKCOYRG-INIZCTEOSA-N 1 3 327.472 2.461 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC/C=C\CC)CCC2)CC1 ZINC001273202789 1197504803 /nfs/dbraw/zinc/50/48/03/1197504803.db2.gz VXGWAFURHDOMDU-WAYWQWQTSA-N 1 3 331.504 2.316 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCC2CC2)CC1 ZINC001275816747 1205548112 /nfs/dbraw/zinc/54/81/12/1205548112.db2.gz MTCWLGFEEHHXHU-UXHICEINSA-N 1 3 345.531 2.396 10 30 EEEEHO Cc1c(C[C@@H](C[NH3+])CNC(C)(C)c2cccc(C#N)c2)cnn1C ZINC000903932503 1242556272 /nfs/dbraw/zinc/55/62/72/1242556272.db2.gz CPXYVNOAHGWMKY-INIZCTEOSA-N 1 3 325.460 2.243 10 30 EEEEHO Cc1ccc([C@@H](CNC(=O)C#CC2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000852863934 1292219327 /nfs/dbraw/zinc/21/93/27/1292219327.db2.gz UGPWTYOXHDCYLD-HXUWFJFHSA-N 1 3 339.483 2.251 10 30 EEEEHO C#CCN1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001265526360 1323205040 /nfs/dbraw/zinc/20/50/40/1323205040.db2.gz YVMCAWQTLRLRIK-MOPGFXCFSA-N 1 3 331.504 2.199 10 30 EEEEHO C=CCC[C@@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001282773595 1325782326 /nfs/dbraw/zinc/78/23/26/1325782326.db2.gz STEVFMXTBZNCCX-YLJYHZDGSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCC[C@@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001282773595 1325782327 /nfs/dbraw/zinc/78/23/27/1325782327.db2.gz STEVFMXTBZNCCX-YLJYHZDGSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001317157492 1332104207 /nfs/dbraw/zinc/10/42/07/1332104207.db2.gz JBXHWSGPKIFJDH-CRAIPNDOSA-N 1 3 325.472 2.213 10 30 EEEEHO CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001324812959 1333765677 /nfs/dbraw/zinc/76/56/77/1333765677.db2.gz KCQPRRLPEKWSND-PZJWPPBQSA-N 1 3 341.499 2.207 10 30 EEEEHO CC#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001324974952 1333800466 /nfs/dbraw/zinc/80/04/66/1333800466.db2.gz CQXXVCDXMDCYMJ-QUCCMNQESA-N 1 3 333.520 2.348 10 30 EEEEHO CC#CCN[C@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001326488920 1334103151 /nfs/dbraw/zinc/10/31/51/1334103151.db2.gz CIYDAUOODJITET-MRXNPFEDSA-N 1 3 325.456 2.073 10 30 EEEEHO C=C(Br)CNC1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001677441258 1357331758 /nfs/dbraw/zinc/33/17/58/1357331758.db2.gz IOYJGZMPBLNRKI-UHFFFAOYSA-N 1 3 346.313 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2cccc(F)c2)CC1 ZINC001667059563 1355641138 /nfs/dbraw/zinc/64/11/38/1355641138.db2.gz RWIMNTVKRKOIFY-INIZCTEOSA-N 1 3 345.462 2.107 10 30 EEEEHO C[C@@H](CNCC#Cc1cccc(Cl)c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001669664095 1356191473 /nfs/dbraw/zinc/19/14/73/1356191473.db2.gz CKKDTGDHUWQBQV-HOTGVXAUSA-N 1 3 347.890 2.128 10 30 EEEEHO C[C@@H](CNCC#Cc1cccc(Cl)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001669664095 1356191478 /nfs/dbraw/zinc/19/14/78/1356191478.db2.gz CKKDTGDHUWQBQV-HOTGVXAUSA-N 1 3 347.890 2.128 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001566131342 1125583961 /nfs/dbraw/zinc/58/39/61/1125583961.db2.gz KPQZEEKFCSGRKI-QGZVFWFLSA-N 1 3 339.524 2.136 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)CC(C)(C)C1 ZINC001566131342 1125583966 /nfs/dbraw/zinc/58/39/66/1125583966.db2.gz KPQZEEKFCSGRKI-QGZVFWFLSA-N 1 3 339.524 2.136 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccc(C#N)c(F)c2)CC[N@@H+]1C ZINC001439243008 1091892984 /nfs/dbraw/zinc/89/29/84/1091892984.db2.gz SEWIBCROMGAMHD-QANKJYHBSA-N 1 3 346.450 2.022 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC001439243008 1091892991 /nfs/dbraw/zinc/89/29/91/1091892991.db2.gz SEWIBCROMGAMHD-QANKJYHBSA-N 1 3 346.450 2.022 10 30 EEEEHO CC(C)N(C)CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CCC1 ZINC001440359255 1093518606 /nfs/dbraw/zinc/51/86/06/1093518606.db2.gz YCYBMLGFHQQIPS-UHFFFAOYSA-N 1 3 334.489 2.088 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001440362920 1093527186 /nfs/dbraw/zinc/52/71/86/1093527186.db2.gz PLAXCHRXZFTOAK-JCNLHEQBSA-N 1 3 346.450 2.022 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCC(C)C)CCCC2)CC1 ZINC001495963052 1101840941 /nfs/dbraw/zinc/84/09/41/1101840941.db2.gz BPKKKZOIXQOVTG-UHFFFAOYSA-N 1 3 333.520 2.396 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001498659490 1107913438 /nfs/dbraw/zinc/91/34/38/1107913438.db2.gz YJHPUELCQPTEAF-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO C#CCC[NH2+][C@H](CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001506989180 1115035094 /nfs/dbraw/zinc/03/50/94/1115035094.db2.gz BHROQQVHNZJHOD-APWZRJJASA-N 1 3 339.499 2.343 10 30 EEEEHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)NCC#Cc1ccc(Cl)cc1 ZINC001507113792 1115115153 /nfs/dbraw/zinc/11/51/53/1115115153.db2.gz DFXQZLOVCXHKCV-MRXNPFEDSA-N 1 3 349.906 2.470 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001568713985 1124731522 /nfs/dbraw/zinc/73/15/22/1124731522.db2.gz MLUVNMFAQATSOG-ICSRJNTNSA-N 1 3 341.499 2.397 10 30 EEEEHO CC[NH+]=C(NCc1noc(C)n1)N[C@@H]1CCCN(C2CCCCC2)C1 ZINC000088959809 462650162 /nfs/dbraw/zinc/65/01/62/462650162.db2.gz PCSKDFGSYZIIMN-OAHLLOKOSA-N 1 3 348.495 2.230 10 30 EEEEHO CN(C)C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(Cl)cc1 ZINC000594438991 468587432 /nfs/dbraw/zinc/58/74/32/468587432.db2.gz XZYSTHVJNNIKOY-CVEARBPZSA-N 1 3 336.867 2.470 10 30 EEEEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(C#N)CCCC1 ZINC000593427887 468974289 /nfs/dbraw/zinc/97/42/89/468974289.db2.gz VJNPXYVUVUEJDY-QGZVFWFLSA-N 1 3 349.523 2.128 10 30 EEEEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCC1(C#N)CCCC1 ZINC000593427887 468974293 /nfs/dbraw/zinc/97/42/93/468974293.db2.gz VJNPXYVUVUEJDY-QGZVFWFLSA-N 1 3 349.523 2.128 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1ccc(F)cc1C#N ZINC000596783665 469358139 /nfs/dbraw/zinc/35/81/39/469358139.db2.gz OHODGWLJGWMCCT-ZDUSSCGKSA-N 1 3 335.427 2.091 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1ccc(F)cc1C#N ZINC000596783665 469358142 /nfs/dbraw/zinc/35/81/42/469358142.db2.gz OHODGWLJGWMCCT-ZDUSSCGKSA-N 1 3 335.427 2.091 10 30 EEEEHO C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000626937848 469762864 /nfs/dbraw/zinc/76/28/64/469762864.db2.gz WJKNSKNYWPJSNE-IRXDYDNUSA-N 1 3 334.508 2.269 10 30 EEEEHO C=CC[NH+](CC=C)[C@H](CNC(=O)N(CC)[C@@H]1CCN(C)C1)C(C)C ZINC000663669285 471466810 /nfs/dbraw/zinc/46/68/10/471466810.db2.gz WFFLKXBIBFNMEC-QZTJIDSGSA-N 1 3 336.524 2.421 10 30 EEEEHO CCC[NH+]1CCN(c2ccccc2C=NNC2CCOCC2)CC1 ZINC000757590123 577860771 /nfs/dbraw/zinc/86/07/71/577860771.db2.gz JYUXHFWHRKDWNV-UHFFFAOYSA-N 1 3 330.476 2.321 10 30 EEEEHO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001485652825 1191871372 /nfs/dbraw/zinc/87/13/72/1191871372.db2.gz GHFZFLXIMNHYBH-HRCADAONSA-N 1 3 339.911 2.440 10 30 EEEEHO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)C3CCC3)C[C@H]2C1 ZINC001485652825 1191871373 /nfs/dbraw/zinc/87/13/73/1191871373.db2.gz GHFZFLXIMNHYBH-HRCADAONSA-N 1 3 339.911 2.440 10 30 EEEEHO C=CCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CN1CCCC1)CC2 ZINC001485674104 1191893132 /nfs/dbraw/zinc/89/31/32/1191893132.db2.gz XOTKEFYFKGGPEA-GOSISDBHSA-N 1 3 349.519 2.036 10 30 EEEEHO C#CC[NH2+]CCC[C@H](NC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001485780016 1191949078 /nfs/dbraw/zinc/94/90/78/1191949078.db2.gz PYKLSVJTIZKGDU-HKUYNNGSSA-N 1 3 327.472 2.189 10 30 EEEEHO C[NH+](C)CCCCC(=O)NC[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001266544639 1176802794 /nfs/dbraw/zinc/80/27/94/1176802794.db2.gz FKOZYQASUROXOM-IBGZPJMESA-N 1 3 342.487 2.228 10 30 EEEEHO C#CCC[N@H+](CCC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001481147859 1179919517 /nfs/dbraw/zinc/91/95/17/1179919517.db2.gz OOEHUWCJMCIHNM-SFHVURJKSA-N 1 3 325.472 2.050 10 30 EEEEHO C#CCC[N@@H+](CCC)CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001481147859 1179919521 /nfs/dbraw/zinc/91/95/21/1179919521.db2.gz OOEHUWCJMCIHNM-SFHVURJKSA-N 1 3 325.472 2.050 10 30 EEEEHO C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCCN2C(C)C)CCOCC1 ZINC001271072609 1185859188 /nfs/dbraw/zinc/85/91/88/1185859188.db2.gz GCTMWPCMSVNZAD-QGZVFWFLSA-N 1 3 337.508 2.080 10 30 EEEEHO C#CCNC[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485825008 1193464587 /nfs/dbraw/zinc/46/45/87/1193464587.db2.gz WWTRGXXNYCIHEU-RTBURBONSA-N 1 3 331.504 2.243 10 30 EEEEHO C#CCNC[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001485825008 1193464588 /nfs/dbraw/zinc/46/45/88/1193464588.db2.gz WWTRGXXNYCIHEU-RTBURBONSA-N 1 3 331.504 2.243 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001484356291 1191316535 /nfs/dbraw/zinc/31/65/35/1191316535.db2.gz BYMKXGXNWWGGST-UYAOXDASSA-N 1 3 341.499 2.205 10 30 EEEEHO C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCCN2C(C)C)CCOCC1 ZINC001484862900 1191554505 /nfs/dbraw/zinc/55/45/05/1191554505.db2.gz UMADUYNNDQDKIO-KRWDZBQOSA-N 1 3 337.508 2.080 10 30 EEEEHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001485217472 1191689652 /nfs/dbraw/zinc/68/96/52/1191689652.db2.gz SCPAIUALYOQSTN-KBPBESRZSA-N 1 3 334.439 2.022 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000877133513 1199867281 /nfs/dbraw/zinc/86/72/81/1199867281.db2.gz DQXLKRPUNUCFMA-COXVUDFISA-N 1 3 335.879 2.341 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000877133513 1199867283 /nfs/dbraw/zinc/86/72/83/1199867283.db2.gz DQXLKRPUNUCFMA-COXVUDFISA-N 1 3 335.879 2.341 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1 ZINC001274609037 1205095632 /nfs/dbraw/zinc/09/56/32/1205095632.db2.gz HUOJNGLHFUXAOX-PXPVJAHISA-N 1 3 340.471 2.195 10 30 EEEEHO C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCN1C(C)C ZINC001275062499 1205246999 /nfs/dbraw/zinc/24/69/99/1205246999.db2.gz ATBADDXJCNITPG-VAMGGRTRSA-N 1 3 339.483 2.254 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CC2CCCC2)CC1 ZINC001037119463 1213851536 /nfs/dbraw/zinc/85/15/36/1213851536.db2.gz CSQYWLWMDBQHGW-UXHICEINSA-N 1 3 345.531 2.396 10 30 EEEEHO CCN(CC#Cc1ccc(Cl)cc1)CCCNC(=O)CC[NH+](C)C ZINC001490342996 1291158989 /nfs/dbraw/zinc/15/89/89/1291158989.db2.gz LWZSIWXFLKYKLE-UHFFFAOYSA-N 1 3 349.906 2.471 10 30 EEEEHO C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)CN1CC[C@H](C)C1 ZINC001277299338 1302258841 /nfs/dbraw/zinc/25/88/41/1302258841.db2.gz QIHGMOWZKQTIFK-IRXDYDNUSA-N 1 3 342.487 2.275 10 30 EEEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001278200708 1306285334 /nfs/dbraw/zinc/28/53/34/1306285334.db2.gz RPLBYVGBEXCSBZ-INIZCTEOSA-N 1 3 325.472 2.001 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001278451923 1310326645 /nfs/dbraw/zinc/32/66/45/1310326645.db2.gz YYILEXIGMXFTTE-PXNSSMCTSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001278451923 1310326648 /nfs/dbraw/zinc/32/66/48/1310326648.db2.gz YYILEXIGMXFTTE-PXNSSMCTSA-N 1 3 331.504 2.267 10 30 EEEEHO CC#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC[NH+](C)C ZINC001264032033 1322592751 /nfs/dbraw/zinc/59/27/51/1322592751.db2.gz GHJLJXVFJNGRIK-NZSAHSFTSA-N 1 3 333.520 2.347 10 30 EEEEHO CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001265613834 1323268193 /nfs/dbraw/zinc/26/81/93/1323268193.db2.gz XCHSIWDYICPNFO-VQTJNVASSA-N 1 3 341.499 2.207 10 30 EEEEHO CCCN(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266074630 1323630296 /nfs/dbraw/zinc/63/02/96/1323630296.db2.gz CAFKOOBFXZGZNT-WOJBJXKFSA-N 1 3 341.499 2.397 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCCC(C)C)C[C@H]32)CC1 ZINC001282884869 1325821920 /nfs/dbraw/zinc/82/19/20/1325821920.db2.gz GUARGLPMGBOXEH-OWZKRDHZSA-N 1 3 345.531 2.062 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCC(C)C)C[C@H]32)CC1 ZINC001282884869 1325821921 /nfs/dbraw/zinc/82/19/21/1325821921.db2.gz GUARGLPMGBOXEH-OWZKRDHZSA-N 1 3 345.531 2.062 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001320550502 1332908078 /nfs/dbraw/zinc/90/80/78/1332908078.db2.gz XOJFSNFHMOYPES-CABCVRRESA-N 1 3 346.450 2.024 10 30 EEEEHO C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001328129795 1334402293 /nfs/dbraw/zinc/40/22/93/1334402293.db2.gz YDTAXLWVYNLVDZ-IBGZPJMESA-N 1 3 341.499 2.417 10 30 EEEEHO C=CCC[NH2+][C@H](CNC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001566724335 1342614698 /nfs/dbraw/zinc/61/46/98/1342614698.db2.gz HBQNGIXQRMGDCT-QAPCUYQASA-N 1 3 325.472 2.259 10 30 EEEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@@H](C)C1 ZINC001569528759 1342893452 /nfs/dbraw/zinc/89/34/52/1342893452.db2.gz YHPQVXIFQDKJBF-QFBILLFUSA-N 1 3 327.472 2.354 10 30 EEEEHO CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C1)N(C)C ZINC001570002707 1342995530 /nfs/dbraw/zinc/99/55/30/1342995530.db2.gz RVKWQGDGNSGICO-MOPGFXCFSA-N 1 3 342.487 2.227 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001663928623 1355055381 /nfs/dbraw/zinc/05/53/81/1355055381.db2.gz XKSAWXPUMXKIFM-MRXNPFEDSA-N 1 3 334.489 2.041 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001663928623 1355055387 /nfs/dbraw/zinc/05/53/87/1355055387.db2.gz XKSAWXPUMXKIFM-MRXNPFEDSA-N 1 3 334.489 2.041 10 30 EEEEHO C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC001668092237 1355868665 /nfs/dbraw/zinc/86/86/65/1355868665.db2.gz LWVGFWYOINMTLE-QGZVFWFLSA-N 1 3 327.472 2.007 10 30 EEEEHO C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)CC1 ZINC001672170303 1356472588 /nfs/dbraw/zinc/47/25/88/1356472588.db2.gz DQUWZKBKJWFPLS-IBGZPJMESA-N 1 3 333.520 2.301 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC001674142528 1356797261 /nfs/dbraw/zinc/79/72/61/1356797261.db2.gz UEJGWKXHIDZRQE-DLBZAZTESA-N 1 3 337.508 2.033 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)N2CCCC2)C[C@@H]1C ZINC001674142528 1356797263 /nfs/dbraw/zinc/79/72/63/1356797263.db2.gz UEJGWKXHIDZRQE-DLBZAZTESA-N 1 3 337.508 2.033 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC001446171247 1092230869 /nfs/dbraw/zinc/23/08/69/1092230869.db2.gz GXICGNTXMBAWQB-ZWKOTPCHSA-N 1 3 340.471 2.027 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NCC2(NCc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC001446171247 1092230878 /nfs/dbraw/zinc/23/08/78/1092230878.db2.gz GXICGNTXMBAWQB-ZWKOTPCHSA-N 1 3 340.471 2.027 10 30 EEEEHO C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001440756805 1094000053 /nfs/dbraw/zinc/00/00/53/1094000053.db2.gz OBIJBLYSLJLFMM-HWOWSKLDSA-N 1 3 327.900 2.345 10 30 EEEEHO C=C(Cl)CNCC1CC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001440756805 1094000059 /nfs/dbraw/zinc/00/00/59/1094000059.db2.gz OBIJBLYSLJLFMM-HWOWSKLDSA-N 1 3 327.900 2.345 10 30 EEEEHO CCN(CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1ccc(C#N)s1 ZINC001479855187 1099156814 /nfs/dbraw/zinc/15/68/14/1099156814.db2.gz XXWJIPIBPPECFZ-OAHLLOKOSA-N 1 3 348.516 2.290 10 30 EEEEHO CCN(CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1ccc(C#N)s1 ZINC001479855187 1099156820 /nfs/dbraw/zinc/15/68/20/1099156820.db2.gz XXWJIPIBPPECFZ-OAHLLOKOSA-N 1 3 348.516 2.290 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(C)cc2)CC1 ZINC001497331573 1102337418 /nfs/dbraw/zinc/33/74/18/1102337418.db2.gz MGLMOKFMROEBDA-SFHVURJKSA-N 1 3 341.499 2.325 10 30 EEEEHO C=CCN[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001493896894 1103072316 /nfs/dbraw/zinc/07/23/16/1103072316.db2.gz XJUNQKNEUOUFMA-SFHVURJKSA-N 1 3 327.472 2.496 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001497831836 1103164574 /nfs/dbraw/zinc/16/45/74/1103164574.db2.gz VXFBWDZCPQRUOR-MJGOQNOKSA-N 1 3 327.472 2.007 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001497831836 1103164581 /nfs/dbraw/zinc/16/45/81/1103164581.db2.gz VXFBWDZCPQRUOR-MJGOQNOKSA-N 1 3 327.472 2.007 10 30 EEEEHO C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)C ZINC001499929714 1112545026 /nfs/dbraw/zinc/54/50/26/1112545026.db2.gz KPTMHHJWPMCNDY-QZTJIDSGSA-N 1 3 337.508 2.033 10 30 EEEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001507011420 1115053179 /nfs/dbraw/zinc/05/31/79/1115053179.db2.gz DDYZEGCTCHYQPB-JKSUJKDBSA-N 1 3 327.900 2.438 10 30 EEEEHO C=C(Cl)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001507011420 1115053180 /nfs/dbraw/zinc/05/31/80/1115053180.db2.gz DDYZEGCTCHYQPB-JKSUJKDBSA-N 1 3 327.900 2.438 10 30 EEEEHO CC[C@H](CNC(=O)CC[NH+]1CCCCC1)NCC#Cc1ccccc1 ZINC001567990204 1124219342 /nfs/dbraw/zinc/21/93/42/1124219342.db2.gz CCBXBKBIGDFVDL-HXUWFJFHSA-N 1 3 341.499 2.399 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594439147 468587746 /nfs/dbraw/zinc/58/77/46/468587746.db2.gz SUPOOBAHHYEGCI-MOPGFXCFSA-N 1 3 342.487 2.078 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000594439147 468587753 /nfs/dbraw/zinc/58/77/53/468587753.db2.gz SUPOOBAHHYEGCI-MOPGFXCFSA-N 1 3 342.487 2.078 10 30 EEEEHO CC(C)(C#N)c1ccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000594497509 468609036 /nfs/dbraw/zinc/60/90/36/468609036.db2.gz CRUPDUANVVSYCZ-KRWDZBQOSA-N 1 3 342.487 2.165 10 30 EEEEHO C#CC[NH2+]CCC[C@@H](NC(=O)CN1CC[C@@H](C)C1)c1ccccc1 ZINC001485780017 1191949175 /nfs/dbraw/zinc/94/91/75/1191949175.db2.gz PYKLSVJTIZKGDU-IEBWSBKVSA-N 1 3 327.472 2.189 10 30 EEEEHO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001266735168 1177324115 /nfs/dbraw/zinc/32/41/15/1177324115.db2.gz IKZMXFONMKUWOT-BGYRXZFFSA-N 1 3 339.483 2.151 10 30 EEEEHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001267109128 1178264336 /nfs/dbraw/zinc/26/43/36/1178264336.db2.gz BZPLSWSZMHMXBW-OKILXGFUSA-N 1 3 334.489 2.041 10 30 EEEEHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001267109128 1178264339 /nfs/dbraw/zinc/26/43/39/1178264339.db2.gz BZPLSWSZMHMXBW-OKILXGFUSA-N 1 3 334.489 2.041 10 30 EEEEHO C#CCCN1CC[C@@H](N(CC)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267791706 1180540593 /nfs/dbraw/zinc/54/05/93/1180540593.db2.gz WNLLXFHNDSZHLV-APWZRJJASA-N 1 3 337.483 2.145 10 30 EEEEHO C#CCCN1CC[C@@H](N(CC)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267791706 1180540597 /nfs/dbraw/zinc/54/05/97/1180540597.db2.gz WNLLXFHNDSZHLV-APWZRJJASA-N 1 3 337.483 2.145 10 30 EEEEHO C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)CN(C)C(C)C)CC1 ZINC001482028084 1183158517 /nfs/dbraw/zinc/15/85/17/1183158517.db2.gz ZUQTZZAQGNZYFK-HDJSIYSDSA-N 1 3 346.313 2.252 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001268543573 1183216243 /nfs/dbraw/zinc/21/62/43/1183216243.db2.gz WLBZANQXEWJARH-LLHWWHOWSA-N 1 3 340.471 2.193 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001268543573 1183216248 /nfs/dbraw/zinc/21/62/48/1183216248.db2.gz WLBZANQXEWJARH-LLHWWHOWSA-N 1 3 340.471 2.193 10 30 EEEEHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001482161082 1183484521 /nfs/dbraw/zinc/48/45/21/1183484521.db2.gz BVMFZTMXJKDGLY-INIZCTEOSA-N 1 3 349.906 2.375 10 30 EEEEHO C=C(C)CC[NH+]1CC(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001268878686 1183787278 /nfs/dbraw/zinc/78/72/78/1183787278.db2.gz BOQZXHLOOTXOFK-SFHVURJKSA-N 1 3 325.472 2.213 10 30 EEEEHO C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001409265275 1188283161 /nfs/dbraw/zinc/28/31/61/1188283161.db2.gz CSFUMWGSUZFLQC-GPANFISMSA-N 1 3 327.900 2.486 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001272465859 1190836592 /nfs/dbraw/zinc/83/65/92/1190836592.db2.gz MBHXOVRIDQYFJQ-HOTGVXAUSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001272465859 1190836588 /nfs/dbraw/zinc/83/65/88/1190836588.db2.gz MBHXOVRIDQYFJQ-HOTGVXAUSA-N 1 3 327.900 2.442 10 30 EEEEHO C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)CN1CCC(C)CC1 ZINC001273090114 1194377554 /nfs/dbraw/zinc/37/75/54/1194377554.db2.gz IAOLLDKCTGLWOM-QGZVFWFLSA-N 1 3 342.487 2.275 10 30 EEEEHO C=C(C)C[NH2+][C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001279180473 1198405276 /nfs/dbraw/zinc/40/52/76/1198405276.db2.gz DVILDYUTCMYQRP-KGLIPLIRSA-N 1 3 335.414 2.273 10 30 EEEEHO C(#CC[N@@H+]1CC[C@@H]2CSC[C@H]2C1)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565850 1201144865 /nfs/dbraw/zinc/14/48/65/1201144865.db2.gz QWIDZIWXPZWQPP-TVFCKZIOSA-N 1 3 336.570 2.360 10 30 EEEEHO C(#CC[N@H+]1CC[C@@H]2CSC[C@H]2C1)CN1CC[C@@H]2CSC[C@@H]2C1 ZINC000879565850 1201144869 /nfs/dbraw/zinc/14/48/69/1201144869.db2.gz QWIDZIWXPZWQPP-TVFCKZIOSA-N 1 3 336.570 2.360 10 30 EEEEHO C(#CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879565850 1201144871 /nfs/dbraw/zinc/14/48/71/1201144871.db2.gz QWIDZIWXPZWQPP-TVFCKZIOSA-N 1 3 336.570 2.360 10 30 EEEEHO C(#CC[N@H+]1CC[C@@H]2CSC[C@@H]2C1)CN1CC[C@@H]2CSC[C@H]2C1 ZINC000879565850 1201144873 /nfs/dbraw/zinc/14/48/73/1201144873.db2.gz QWIDZIWXPZWQPP-TVFCKZIOSA-N 1 3 336.570 2.360 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001274840538 1205181927 /nfs/dbraw/zinc/18/19/27/1205181927.db2.gz ICZNPFXCZWTFFB-AZUAARDMSA-N 1 3 341.499 2.397 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCc2ccccc2)CC1 ZINC001275570278 1205421142 /nfs/dbraw/zinc/42/11/42/1205421142.db2.gz FAMTYTWSQFZCTD-ROUUACIJSA-N 1 3 341.499 2.057 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCC2CC2)CC1 ZINC001275816749 1205547989 /nfs/dbraw/zinc/54/79/89/1205547989.db2.gz MTCWLGFEEHHXHU-WOJBJXKFSA-N 1 3 345.531 2.396 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC(C)(C)C1 ZINC001489347543 1290530314 /nfs/dbraw/zinc/53/03/14/1290530314.db2.gz AJOIFTRYFHXSQK-IRXDYDNUSA-N 1 3 339.524 2.136 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)N(C)C)CC(C)(C)C1 ZINC001489347543 1290530319 /nfs/dbraw/zinc/53/03/19/1290530319.db2.gz AJOIFTRYFHXSQK-IRXDYDNUSA-N 1 3 339.524 2.136 10 30 EEEEHO C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001281086485 1322815984 /nfs/dbraw/zinc/81/59/84/1322815984.db2.gz DIBGYJZWJSVIHM-HXUWFJFHSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CN(C)CC(C)(C)C)C2 ZINC001281086485 1322815990 /nfs/dbraw/zinc/81/59/90/1322815990.db2.gz DIBGYJZWJSVIHM-HXUWFJFHSA-N 1 3 333.520 2.302 10 30 EEEEHO C=CCOCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001265283530 1323035053 /nfs/dbraw/zinc/03/50/53/1323035053.db2.gz GAXKJFLIBZZVGO-QZTJIDSGSA-N 1 3 349.519 2.034 10 30 EEEEHO C=CCOCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001265283530 1323035059 /nfs/dbraw/zinc/03/50/59/1323035059.db2.gz GAXKJFLIBZZVGO-QZTJIDSGSA-N 1 3 349.519 2.034 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001282242145 1325666352 /nfs/dbraw/zinc/66/63/52/1325666352.db2.gz QKWULIGGDLVQLJ-CVEARBPZSA-N 1 3 333.520 2.251 10 30 EEEEHO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1cc(N)ccn1)C(C)C ZINC001331368123 1335003231 /nfs/dbraw/zinc/00/32/31/1335003231.db2.gz JQMPKTSIAJXSFI-KRWDZBQOSA-N 1 3 331.464 2.162 10 30 EEEEHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C(C)C)N(C)C ZINC001667508690 1355751649 /nfs/dbraw/zinc/75/16/49/1355751649.db2.gz MTEUNFALEWUQFZ-MOPGFXCFSA-N 1 3 329.488 2.109 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CC=C(C)C)CC1 ZINC001674499407 1356847905 /nfs/dbraw/zinc/84/79/05/1356847905.db2.gz IBRDKJJMZFMYHO-LJQANCHMSA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC=C(C)C)CC1 ZINC001674499407 1356847906 /nfs/dbraw/zinc/84/79/06/1356847906.db2.gz IBRDKJJMZFMYHO-LJQANCHMSA-N 1 3 331.504 2.221 10 30 EEEEHO C[NH+](C)CCC(=O)NC1(CNCC#Cc2ccccc2)CCCCC1 ZINC001675201483 1356944399 /nfs/dbraw/zinc/94/43/99/1356944399.db2.gz LQPPWXCVJUPGOT-UHFFFAOYSA-N 1 3 341.499 2.399 10 30 EEEEHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccc(C#N)s1 ZINC001438310183 1090787609 /nfs/dbraw/zinc/78/76/09/1090787609.db2.gz JELNBVGICPDOEA-CABCVRRESA-N 1 3 348.516 2.479 10 30 EEEEHO CC[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccc(C#N)s1 ZINC001438310183 1090787613 /nfs/dbraw/zinc/78/76/13/1090787613.db2.gz JELNBVGICPDOEA-CABCVRRESA-N 1 3 348.516 2.479 10 30 EEEEHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccc(C#N)c(F)c1 ZINC001442110271 1096335473 /nfs/dbraw/zinc/33/54/73/1096335473.db2.gz GWULQCYEBFCIHL-HNNXBMFYSA-N 1 3 346.450 2.168 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(F)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001498132921 1106967449 /nfs/dbraw/zinc/96/74/49/1106967449.db2.gz SWFWKHKFFKDQIQ-INIZCTEOSA-N 1 3 345.462 2.003 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001480813528 1107164389 /nfs/dbraw/zinc/16/43/89/1107164389.db2.gz ICZNPFXCZWTFFB-UYAOXDASSA-N 1 3 341.499 2.397 10 30 EEEEHO C#CCN(C(=O)CN(C)CCC)C1CC[NH+](CC2CCCC2)CC1 ZINC001500054298 1112595044 /nfs/dbraw/zinc/59/50/44/1112595044.db2.gz LLJBDGIZVDSQKN-UHFFFAOYSA-N 1 3 333.520 2.445 10 30 EEEEHO C=CCN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)c1ccccc1CC ZINC001501021468 1113170638 /nfs/dbraw/zinc/17/06/38/1113170638.db2.gz GWBIBIPRCAEYJE-SFHVURJKSA-N 1 3 327.472 2.278 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC001505760016 1114174244 /nfs/dbraw/zinc/17/42/44/1114174244.db2.gz FFZZXKXDQRCOAK-HZPDHXFCSA-N 1 3 345.462 2.154 10 30 EEEEHO C=CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCCCN2CC)CC1 ZINC001506486204 1114643446 /nfs/dbraw/zinc/64/34/46/1114643446.db2.gz BJNLOZNEZVYWBR-GOSISDBHSA-N 1 3 337.508 2.034 10 30 EEEEHO C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001506938238 1114987634 /nfs/dbraw/zinc/98/76/34/1114987634.db2.gz NXVDMPLGIDNUHV-MOPGFXCFSA-N 1 3 341.499 2.254 10 30 EEEEHO CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001507426054 1115262672 /nfs/dbraw/zinc/26/26/72/1115262672.db2.gz DZHJFPZPYZLMPA-LPHOPBHVSA-N 1 3 327.472 2.260 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568279103 1124400910 /nfs/dbraw/zinc/40/09/10/1124400910.db2.gz IWGIIWASYBKMDE-UYAOXDASSA-N 1 3 341.499 2.349 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001568279103 1124400912 /nfs/dbraw/zinc/40/09/12/1124400912.db2.gz IWGIIWASYBKMDE-UYAOXDASSA-N 1 3 341.499 2.349 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001569152541 1125131415 /nfs/dbraw/zinc/13/14/15/1125131415.db2.gz CTMINIAMJYNZDD-KRWDZBQOSA-N 1 3 345.531 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001569152541 1125131418 /nfs/dbraw/zinc/13/14/18/1125131418.db2.gz CTMINIAMJYNZDD-KRWDZBQOSA-N 1 3 345.531 2.348 10 30 EEEEHO CC(C)(C(=O)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001266610437 1176969117 /nfs/dbraw/zinc/96/91/17/1176969117.db2.gz VBTDAWQLTIBHFU-WGSAOQKQSA-N 1 3 339.483 2.149 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CCC2CCCC2)C2CC2)CC1 ZINC001267337619 1178783335 /nfs/dbraw/zinc/78/33/35/1178783335.db2.gz CETLTVIDSKHRQR-UHFFFAOYSA-N 1 3 345.531 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CCC2CCCC2)C2CC2)CC1 ZINC001267337619 1178783339 /nfs/dbraw/zinc/78/33/39/1178783339.db2.gz CETLTVIDSKHRQR-UHFFFAOYSA-N 1 3 345.531 2.493 10 30 EEEEHO C#CCN(C(=O)CN(C)C1CCC1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001483985003 1191142498 /nfs/dbraw/zinc/14/24/98/1191142498.db2.gz HQTMOMARXJZNEJ-KRWDZBQOSA-N 1 3 333.520 2.443 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC#Cc2ccccc2)C1 ZINC001484356290 1191316451 /nfs/dbraw/zinc/31/64/51/1191316451.db2.gz BYMKXGXNWWGGST-QUCCMNQESA-N 1 3 341.499 2.205 10 30 EEEEHO C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)CN(C)CC(C)(C)C ZINC001273018878 1194324918 /nfs/dbraw/zinc/32/49/18/1194324918.db2.gz PSRSKLSKAZDVNB-CYBMUJFWSA-N 1 3 348.329 2.357 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000876877385 1199803389 /nfs/dbraw/zinc/80/33/89/1199803389.db2.gz UMGRWKDNJCQVFV-HNNXBMFYSA-N 1 3 327.831 2.186 10 30 EEEEHO C#CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCN(C)CC1 ZINC000886579602 1202526746 /nfs/dbraw/zinc/52/67/46/1202526746.db2.gz AIMXPMILBDRKCY-KRWDZBQOSA-N 1 3 331.504 2.197 10 30 EEEEHO C#CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CCN(C)CC1 ZINC000886579602 1202526747 /nfs/dbraw/zinc/52/67/47/1202526747.db2.gz AIMXPMILBDRKCY-KRWDZBQOSA-N 1 3 331.504 2.197 10 30 EEEEHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001274822915 1205177047 /nfs/dbraw/zinc/17/70/47/1205177047.db2.gz WXZQDORHJQRMDW-LPHOPBHVSA-N 1 3 347.478 2.248 10 30 EEEEHO C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001276821266 1298784640 /nfs/dbraw/zinc/78/46/40/1298784640.db2.gz SGLKTQKEALLJME-QFBILLFUSA-N 1 3 345.487 2.143 10 30 EEEEHO C#CCN1CCC([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001279089651 1319228855 /nfs/dbraw/zinc/22/88/55/1319228855.db2.gz KETRFMLMPHPNTQ-QGZVFWFLSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN1CCC([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001279089651 1319228863 /nfs/dbraw/zinc/22/88/63/1319228863.db2.gz KETRFMLMPHPNTQ-QGZVFWFLSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN1CCC([C@@H](C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001279097981 1319255814 /nfs/dbraw/zinc/25/58/14/1319255814.db2.gz YJWBPWPORJYYRA-DNVCBOLYSA-N 1 3 337.483 2.049 10 30 EEEEHO C#CCN1CCC([C@@H](C)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001279097981 1319255821 /nfs/dbraw/zinc/25/58/21/1319255821.db2.gz YJWBPWPORJYYRA-DNVCBOLYSA-N 1 3 337.483 2.049 10 30 EEEEHO C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001279097981 1319255829 /nfs/dbraw/zinc/25/58/29/1319255829.db2.gz YJWBPWPORJYYRA-DNVCBOLYSA-N 1 3 337.483 2.049 10 30 EEEEHO C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001265407134 1323135590 /nfs/dbraw/zinc/13/55/90/1323135590.db2.gz RDEIBAFQOZYJRT-GDAAHCPNSA-N 1 3 331.504 2.358 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2csc(C)c2)CC1 ZINC001282244194 1325667378 /nfs/dbraw/zinc/66/73/78/1325667378.db2.gz ZEGZXTQEHYGTAC-HOTGVXAUSA-N 1 3 347.528 2.385 10 30 EEEEHO C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001319789430 1332768305 /nfs/dbraw/zinc/76/83/05/1332768305.db2.gz AOJMFMVHOKIAJM-IBGZPJMESA-N 1 3 327.472 2.356 10 30 EEEEHO CN(CCC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@@H]1CCCCN1C ZINC001322569445 1333285429 /nfs/dbraw/zinc/28/54/29/1333285429.db2.gz KTWHEMTXUQGILS-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001324812958 1333765428 /nfs/dbraw/zinc/76/54/28/1333765428.db2.gz KCQPRRLPEKWSND-FPOVZHCZSA-N 1 3 341.499 2.207 10 30 EEEEHO C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001326488859 1334103308 /nfs/dbraw/zinc/10/33/08/1334103308.db2.gz APNPWXSNTACRAU-QFBILLFUSA-N 1 3 327.472 2.461 10 30 EEEEHO C=C(C)CN[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C(F)(F)F ZINC001333021377 1335949228 /nfs/dbraw/zinc/94/92/28/1335949228.db2.gz OMDXSOJCHQDBAN-KBPBESRZSA-N 1 3 347.425 2.273 10 30 EEEEHO C=CCN1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)CC1 ZINC001357158639 1338967916 /nfs/dbraw/zinc/96/79/16/1338967916.db2.gz CGBYMGAMFUODNP-LZLYRXPVSA-N 1 3 334.508 2.009 10 30 EEEEHO CC[C@@H](C(=O)NC[C@@H](C)NCC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001567052568 1342686815 /nfs/dbraw/zinc/68/68/15/1342686815.db2.gz GIBKGOFNAUWRGC-APWZRJJASA-N 1 3 347.478 2.392 10 30 EEEEHO C#CCN1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](CC(=C)C)C2)CC1 ZINC001664687862 1355212282 /nfs/dbraw/zinc/21/22/82/1355212282.db2.gz YEBWNQILLLBBGJ-LJQANCHMSA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](CC(=C)C)C2)CC1 ZINC001664687862 1355212287 /nfs/dbraw/zinc/21/22/87/1355212287.db2.gz YEBWNQILLLBBGJ-LJQANCHMSA-N 1 3 331.504 2.221 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001666897612 1355611090 /nfs/dbraw/zinc/61/10/90/1355611090.db2.gz HBUHPIYIRYIPQO-QUCCMNQESA-N 1 3 341.499 2.347 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNCC#Cc1ccccc1 ZINC001666897612 1355611094 /nfs/dbraw/zinc/61/10/94/1355611094.db2.gz HBUHPIYIRYIPQO-QUCCMNQESA-N 1 3 341.499 2.347 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000909203092 786092323 /nfs/dbraw/zinc/09/23/23/786092323.db2.gz CTPDGXKNRCSBKG-KRWDZBQOSA-N 1 3 329.488 2.475 10 30 EEEEHO C[C@@H](CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC001441657035 1095622245 /nfs/dbraw/zinc/62/22/45/1095622245.db2.gz HZYXWFZNMGAOJP-INIZCTEOSA-N 1 3 330.476 2.036 10 30 EEEEHO CC(C)N(C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC001507037788 1115074509 /nfs/dbraw/zinc/07/45/09/1115074509.db2.gz YLBYSZLCVZPSQQ-LJQANCHMSA-N 1 3 342.487 2.225 10 30 EEEEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437210 468587022 /nfs/dbraw/zinc/58/70/22/468587022.db2.gz JFRXRYCHTFTACX-BPQIPLTHSA-N 1 3 328.460 2.349 10 30 EEEEHO Cc1ccc2ncc(C#N)c(NCC[N@@H+](C)CCCN(C)C)c2c1 ZINC000596425643 469262475 /nfs/dbraw/zinc/26/24/75/469262475.db2.gz SYOGVFHPJRUOAC-UHFFFAOYSA-N 1 3 325.460 2.132 10 30 EEEEHO Cc1ccc2ncc(C#N)c(NCC[N@H+](C)CCCN(C)C)c2c1 ZINC000596425643 469262478 /nfs/dbraw/zinc/26/24/78/469262478.db2.gz SYOGVFHPJRUOAC-UHFFFAOYSA-N 1 3 325.460 2.132 10 30 EEEEHO [NH2+]=C(NCC1CCC1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000262488182 686348421 /nfs/dbraw/zinc/34/84/21/686348421.db2.gz TZGVSROLTSJOAV-UHFFFAOYSA-N 1 3 332.414 2.496 10 30 EEEEHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691402255 1178011559 /nfs/dbraw/zinc/01/15/59/1178011559.db2.gz ITMXBKFKZIFQFB-MAUKXSAKSA-N 1 3 325.472 2.308 10 30 EEEEHO C=CCCN1CC[C@H]1CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691402255 1178011567 /nfs/dbraw/zinc/01/15/67/1178011567.db2.gz ITMXBKFKZIFQFB-MAUKXSAKSA-N 1 3 325.472 2.308 10 30 EEEEHO CC#CC[N@@H+](CCNC(=O)[C@@H](c1ccccc1)N(C)CC)C1CC1 ZINC001267336303 1178780529 /nfs/dbraw/zinc/78/05/29/1178780529.db2.gz LXVAXPRJQBDMNK-LJQANCHMSA-N 1 3 327.472 2.283 10 30 EEEEHO CC#CC[N@H+](CCNC(=O)[C@@H](c1ccccc1)N(C)CC)C1CC1 ZINC001267336303 1178780535 /nfs/dbraw/zinc/78/05/35/1178780535.db2.gz LXVAXPRJQBDMNK-LJQANCHMSA-N 1 3 327.472 2.283 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001267390907 1178956625 /nfs/dbraw/zinc/95/66/25/1178956625.db2.gz XDCQEZSFIOIORO-PBHICJAKSA-N 1 3 346.500 2.185 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001267390907 1178956627 /nfs/dbraw/zinc/95/66/27/1178956627.db2.gz XDCQEZSFIOIORO-PBHICJAKSA-N 1 3 346.500 2.185 10 30 EEEEHO C#CCCN[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001481365951 1181134207 /nfs/dbraw/zinc/13/42/07/1181134207.db2.gz UUDJXDHONXATTE-MOPGFXCFSA-N 1 3 327.472 2.331 10 30 EEEEHO C#CCCN[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001481365951 1181134214 /nfs/dbraw/zinc/13/42/14/1181134214.db2.gz UUDJXDHONXATTE-MOPGFXCFSA-N 1 3 327.472 2.331 10 30 EEEEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001481461423 1181450920 /nfs/dbraw/zinc/45/09/20/1181450920.db2.gz CDXUWIXLHGFKCA-FQEVSTJZSA-N 1 3 341.499 2.207 10 30 EEEEHO CC(C)N(C)CC(=O)NCC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001481461423 1181450923 /nfs/dbraw/zinc/45/09/23/1181450923.db2.gz CDXUWIXLHGFKCA-FQEVSTJZSA-N 1 3 341.499 2.207 10 30 EEEEHO C#CCN(C(=O)CN1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCC=C)CC1 ZINC001270364429 1185048935 /nfs/dbraw/zinc/04/89/35/1185048935.db2.gz PAQHLNKOWXDZNI-ROUUACIJSA-N 1 3 331.504 2.362 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC#CC)C2CCCCC2)CC1 ZINC001482412200 1185643528 /nfs/dbraw/zinc/64/35/28/1185643528.db2.gz DPENAKPUZAUGBE-HXUWFJFHSA-N 1 3 343.515 2.010 10 30 EEEEHO CC#CCNC[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001485836511 1193596194 /nfs/dbraw/zinc/59/61/94/1193596194.db2.gz CIKHJBBFRKPKGN-MOPGFXCFSA-N 1 3 333.520 2.347 10 30 EEEEHO C=C(Br)CNCC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001409787342 1190617153 /nfs/dbraw/zinc/61/71/53/1190617153.db2.gz SDNAAPAXNBMWRO-UHFFFAOYSA-N 1 3 346.313 2.255 10 30 EEEEHO C=CCCC[NH2+]C1(CNC(=O)C(C)(C)N2CCCC2)CCOCC1 ZINC001484186484 1191264387 /nfs/dbraw/zinc/26/43/87/1191264387.db2.gz ZXGYDNDMUXKIIJ-UHFFFAOYSA-N 1 3 337.508 2.082 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001484519820 1191394240 /nfs/dbraw/zinc/39/42/40/1191394240.db2.gz BFZPBIRVWOKMQW-HZPDHXFCSA-N 1 3 327.900 2.440 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484519820 1191394242 /nfs/dbraw/zinc/39/42/42/1191394242.db2.gz BFZPBIRVWOKMQW-HZPDHXFCSA-N 1 3 327.900 2.440 10 30 EEEEHO C=C(C)C[NH2+]CC1CC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001485102948 1191652435 /nfs/dbraw/zinc/65/24/35/1191652435.db2.gz YCJDBNSJUKCYLY-JTTJXQCZSA-N 1 3 325.472 2.259 10 30 EEEEHO C[C@@H](NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C#N)c(F)c1 ZINC000925852528 1206160961 /nfs/dbraw/zinc/16/09/61/1206160961.db2.gz CLZVCTOMLQJMIS-IUODEOHRSA-N 1 3 331.391 2.033 10 30 EEEEHO C#CCCN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1 ZINC001691782473 1214569089 /nfs/dbraw/zinc/56/90/89/1214569089.db2.gz OMXXYUXUIMHTDI-GBESFXJTSA-N 1 3 327.472 2.187 10 30 EEEEHO C#CCCN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC001691782473 1214569094 /nfs/dbraw/zinc/56/90/94/1214569094.db2.gz OMXXYUXUIMHTDI-GBESFXJTSA-N 1 3 327.472 2.187 10 30 EEEEHO C=C(Br)CN[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001490902670 1254315589 /nfs/dbraw/zinc/31/55/89/1254315589.db2.gz PJOICCFRGJYTJI-MGPQQGTHSA-N 1 3 344.297 2.006 10 30 EEEEHO C=C(Br)CN[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001490902670 1254315594 /nfs/dbraw/zinc/31/55/94/1254315594.db2.gz PJOICCFRGJYTJI-MGPQQGTHSA-N 1 3 344.297 2.006 10 30 EEEEHO C=C(Cl)CN[C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001490302432 1291137281 /nfs/dbraw/zinc/13/72/81/1291137281.db2.gz ICHYTPVWJLGKCC-HUUCEWRRSA-N 1 3 325.884 2.194 10 30 EEEEHO C=C(Cl)C[N@H+](CC)CCCNC(=O)c1ccn(-c2ccncc2)n1 ZINC001490337438 1291234126 /nfs/dbraw/zinc/23/41/26/1291234126.db2.gz XVCKFECEPOIFJK-UHFFFAOYSA-N 1 3 347.850 2.462 10 30 EEEEHO C=C(Cl)C[N@@H+](CC)CCCNC(=O)c1ccn(-c2ccncc2)n1 ZINC001490337438 1291234135 /nfs/dbraw/zinc/23/41/35/1291234135.db2.gz XVCKFECEPOIFJK-UHFFFAOYSA-N 1 3 347.850 2.462 10 30 EEEEHO CN1CCC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000852869642 1292221595 /nfs/dbraw/zinc/22/15/95/1292221595.db2.gz DBTWSEBKGXNRMN-APWZRJJASA-N 1 3 345.512 2.250 10 30 EEEEHO CC#CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001277393980 1302824281 /nfs/dbraw/zinc/82/42/81/1302824281.db2.gz VZKOWKNHIIZOQQ-QGZVFWFLSA-N 1 3 331.504 2.055 10 30 EEEEHO CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001277393980 1302824295 /nfs/dbraw/zinc/82/42/95/1302824295.db2.gz VZKOWKNHIIZOQQ-QGZVFWFLSA-N 1 3 331.504 2.055 10 30 EEEEHO C#CCN(C(=O)[C@@H]1CCCN1C(C)C)C1CC[NH+](CCC=C)CC1 ZINC001278151765 1306113385 /nfs/dbraw/zinc/11/33/85/1306113385.db2.gz WYQHJESYGDPJNL-IBGZPJMESA-N 1 3 331.504 2.362 10 30 EEEEHO C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278550775 1317216963 /nfs/dbraw/zinc/21/69/63/1317216963.db2.gz ZBQIUOOONIKKCY-ZWKOTPCHSA-N 1 3 325.472 2.213 10 30 EEEEHO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001265682213 1323318317 /nfs/dbraw/zinc/31/83/17/1323318317.db2.gz NGKBLAQLVDGPOS-MAUKXSAKSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCC[NH2+]CC1(NC(=O)[C@H](C)N2CCCCCC2)CCOCC1 ZINC001281266018 1324923791 /nfs/dbraw/zinc/92/37/91/1324923791.db2.gz JNKYKFLXGAUOJU-KRWDZBQOSA-N 1 3 337.508 2.082 10 30 EEEEHO O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001317092800 1332075866 /nfs/dbraw/zinc/07/58/66/1332075866.db2.gz IKZMXFONMKUWOT-MXVIHJGJSA-N 1 3 339.483 2.151 10 30 EEEEHO C#CCN1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001324869166 1333777671 /nfs/dbraw/zinc/77/76/71/1333777671.db2.gz OFYSXXCEGZTHGP-SFHVURJKSA-N 1 3 331.504 2.245 10 30 EEEEHO C#CCN1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001324869166 1333777676 /nfs/dbraw/zinc/77/76/76/1333777676.db2.gz OFYSXXCEGZTHGP-SFHVURJKSA-N 1 3 331.504 2.245 10 30 EEEEHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001326225215 1334048074 /nfs/dbraw/zinc/04/80/74/1334048074.db2.gz SQSGAHXFUGVQMI-YOEHRIQHSA-N 1 3 346.500 2.042 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC2CCC2)C2CCCC2)CC1 ZINC001569613161 1342908551 /nfs/dbraw/zinc/90/85/51/1342908551.db2.gz BLCBVRTVWVOAIZ-HXUWFJFHSA-N 1 3 345.531 2.396 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001676976296 1357253651 /nfs/dbraw/zinc/25/36/51/1357253651.db2.gz VNBQSSFJQADFPW-HKUYNNGSSA-N 1 3 331.504 2.006 10 30 EEEEHO C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001656571860 1354249011 /nfs/dbraw/zinc/24/90/11/1354249011.db2.gz VZEWMYYCZDEPHA-JTDSTZFVSA-N 1 3 337.483 2.049 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CC2=CCCCC2)CC1 ZINC001660408918 1354460224 /nfs/dbraw/zinc/46/02/24/1354460224.db2.gz REYHKIINCJIION-UHFFFAOYSA-N 1 3 331.504 2.270 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CC2=CCCCC2)CC1 ZINC001660408918 1354460226 /nfs/dbraw/zinc/46/02/26/1354460226.db2.gz REYHKIINCJIION-UHFFFAOYSA-N 1 3 331.504 2.270 10 30 EEEEHO C[C@H](CNCC#Cc1cccc(Cl)c1)N(C)C(=O)CC[NH+](C)C ZINC001666982788 1355626974 /nfs/dbraw/zinc/62/69/74/1355626974.db2.gz MLGNJJJKBLGRKQ-OAHLLOKOSA-N 1 3 335.879 2.080 10 30 EEEEHO C#CCN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)C1CCN(C)CC1 ZINC000914099805 794874253 /nfs/dbraw/zinc/87/42/53/794874253.db2.gz KLKPJRGXZJBZAM-GOSISDBHSA-N 1 3 348.535 2.380 10 30 EEEEHO C#CCN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C1CCN(C)CC1 ZINC000914099805 794874259 /nfs/dbraw/zinc/87/42/59/794874259.db2.gz KLKPJRGXZJBZAM-GOSISDBHSA-N 1 3 348.535 2.380 10 30 EEEEHO Cc1cc(C#N)cc(C)c1CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000921716662 795600672 /nfs/dbraw/zinc/60/06/72/795600672.db2.gz ODGUTMSHKVANIE-UHFFFAOYSA-N 1 3 342.487 2.207 10 30 EEEEHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC001449405752 1094387045 /nfs/dbraw/zinc/38/70/45/1094387045.db2.gz SBURMUUBQDPXNP-UHFFFAOYSA-N 1 3 334.489 2.039 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001480238787 1099870702 /nfs/dbraw/zinc/87/07/02/1099870702.db2.gz XFQFQFKPDBKTKS-YTQUADARSA-N 1 3 333.520 2.251 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001497843820 1103181588 /nfs/dbraw/zinc/18/15/88/1103181588.db2.gz ZQQSOQHDEIIGES-QUCCMNQESA-N 1 3 341.499 2.253 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001497843820 1103181595 /nfs/dbraw/zinc/18/15/95/1103181595.db2.gz ZQQSOQHDEIIGES-QUCCMNQESA-N 1 3 341.499 2.253 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001500106576 1112620015 /nfs/dbraw/zinc/62/00/15/1112620015.db2.gz HQBCUTIEOSWBPG-FQEVSTJZSA-N 1 3 341.499 2.254 10 30 EEEEHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC001505677245 1114125707 /nfs/dbraw/zinc/12/57/07/1114125707.db2.gz FWOUDOYGOCSSBT-UONOGXRCSA-N 1 3 334.439 2.022 10 30 EEEEHO C=CCC[C@@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001506722358 1114831959 /nfs/dbraw/zinc/83/19/59/1114831959.db2.gz OSKMABXKKVXTBI-IEBWSBKVSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCC[C@@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)C3(N(C)C)CCC3)C2)C1 ZINC001506722358 1114831963 /nfs/dbraw/zinc/83/19/63/1114831963.db2.gz OSKMABXKKVXTBI-IEBWSBKVSA-N 1 3 349.519 2.129 10 30 EEEEHO C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)CN1CCC(C)CC1 ZINC001506970988 1115021368 /nfs/dbraw/zinc/02/13/68/1115021368.db2.gz DOKDIIAWQXEYCJ-UHFFFAOYSA-N 1 3 341.499 2.360 10 30 EEEEHO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000600721951 468634857 /nfs/dbraw/zinc/63/48/57/468634857.db2.gz OCFKAVIFAYIATB-OALUTQOASA-N 1 3 327.472 2.195 10 30 EEEEHO N#CC1(C[C@H](O)CNC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000600721951 468634860 /nfs/dbraw/zinc/63/48/60/468634860.db2.gz OCFKAVIFAYIATB-OALUTQOASA-N 1 3 327.472 2.195 10 30 EEEEHO N#CC1(C[C@H](O)CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000600721951 468634869 /nfs/dbraw/zinc/63/48/69/468634869.db2.gz OCFKAVIFAYIATB-OALUTQOASA-N 1 3 327.472 2.195 10 30 EEEEHO C[NH+](C)CCC[C@H]1CN(C(=O)C(C#N)CCc2ccccc2)CCO1 ZINC000598540315 468906425 /nfs/dbraw/zinc/90/64/25/468906425.db2.gz NXFQNFVNMLZYAZ-OALUTQOASA-N 1 3 343.471 2.328 10 30 EEEEHO C=CC[C@]1(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CCC[NH2+]1 ZINC000662799937 472257807 /nfs/dbraw/zinc/25/78/07/472257807.db2.gz AXHJGHYWJMSOGW-OXQOHEQNSA-N 1 3 342.487 2.422 10 30 EEEEHO C=C(CN(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000764507989 577737825 /nfs/dbraw/zinc/73/78/25/577737825.db2.gz LDBPQKJLNSFRRA-YQQQUEKLSA-N 1 3 327.472 2.416 10 30 EEEEHO C=C(CN(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000764507989 577737826 /nfs/dbraw/zinc/73/78/26/577737826.db2.gz LDBPQKJLNSFRRA-YQQQUEKLSA-N 1 3 327.472 2.416 10 30 EEEEHO C#CCN(C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)C1CCN(C)CC1 ZINC000914314349 683480926 /nfs/dbraw/zinc/48/09/26/683480926.db2.gz RZFKDXHTHCANNP-FXAWDEMLSA-N 1 3 348.535 2.236 10 30 EEEEHO C=CCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000896208597 684903325 /nfs/dbraw/zinc/90/33/25/684903325.db2.gz JPMKEDMOCJSLNS-OALUTQOASA-N 1 3 327.472 2.446 10 30 EEEEHO C=CCN1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000896208597 684903329 /nfs/dbraw/zinc/90/33/29/684903329.db2.gz JPMKEDMOCJSLNS-OALUTQOASA-N 1 3 327.472 2.446 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267092644 1178222059 /nfs/dbraw/zinc/22/20/59/1178222059.db2.gz DTIUOZJXCJMHAQ-PMACEKPBSA-N 1 3 341.499 2.395 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1 ZINC001482031682 1183170969 /nfs/dbraw/zinc/17/09/69/1183170969.db2.gz WSTKUCOBDWIAJN-HXUWFJFHSA-N 1 3 339.483 2.433 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC001482031682 1183170973 /nfs/dbraw/zinc/17/09/73/1183170973.db2.gz WSTKUCOBDWIAJN-HXUWFJFHSA-N 1 3 339.483 2.433 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(C)cc2)CC1 ZINC001482172861 1183499650 /nfs/dbraw/zinc/49/96/50/1183499650.db2.gz ZPXREHOZJIZMPG-SFHVURJKSA-N 1 3 341.499 2.182 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001268716747 1183634934 /nfs/dbraw/zinc/63/49/34/1183634934.db2.gz KLWCPIZTOMIJCK-JXFKEZNVSA-N 1 3 339.483 2.113 10 30 EEEEHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001284738121 1184753070 /nfs/dbraw/zinc/75/30/70/1184753070.db2.gz SPRYUTNQQQZFSJ-KGLIPLIRSA-N 1 3 335.414 2.272 10 30 EEEEHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001270419613 1185090144 /nfs/dbraw/zinc/09/01/44/1185090144.db2.gz LFPGWIJDOIVRDH-MRXNPFEDSA-N 1 3 345.462 2.003 10 30 EEEEHO CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)C)N(C)C ZINC001482564390 1186845497 /nfs/dbraw/zinc/84/54/97/1186845497.db2.gz BZHSERKJGLRRFV-QZTJIDSGSA-N 1 3 348.466 2.268 10 30 EEEEHO C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001409406283 1189633965 /nfs/dbraw/zinc/63/39/65/1189633965.db2.gz LRKHWCBNJFMHMW-KBPBESRZSA-N 1 3 346.450 2.022 10 30 EEEEHO CC#CCNCCN(Cc1ccccc1)C(=O)C12CCC[NH+]1CCC2 ZINC001484398986 1191331478 /nfs/dbraw/zinc/33/14/78/1191331478.db2.gz RWBCPOTVUXVOTG-UHFFFAOYSA-N 1 3 339.483 2.257 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](CNCc2cc(F)ccc2C#N)C1 ZINC001486211062 1193751547 /nfs/dbraw/zinc/75/15/47/1193751547.db2.gz SJVGEUPWMSHJOH-KDOFPFPSSA-N 1 3 346.450 2.024 10 30 EEEEHO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000876725473 1199741199 /nfs/dbraw/zinc/74/11/99/1199741199.db2.gz JWFBEIWLKFNTSH-INIZCTEOSA-N 1 3 337.851 2.052 10 30 EEEEHO C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001275542127 1205403494 /nfs/dbraw/zinc/40/34/94/1205403494.db2.gz RUKWEJJBWATNSE-DLBZAZTESA-N 1 3 347.478 2.392 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@H](C)CCC=C)C2)CC1 ZINC001265235977 1323002506 /nfs/dbraw/zinc/00/25/06/1323002506.db2.gz ZTTDTZWTDQHVPY-IEBWSBKVSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001265235977 1323002514 /nfs/dbraw/zinc/00/25/14/1323002514.db2.gz ZTTDTZWTDQHVPY-IEBWSBKVSA-N 1 3 331.504 2.267 10 30 EEEEHO CC#CC[N@H+](C)CCN(C(=O)c1ccn(-c2ccncc2)n1)C(C)C ZINC001284545034 1326605763 /nfs/dbraw/zinc/60/57/63/1326605763.db2.gz VXPOCTDOHWKVGT-UHFFFAOYSA-N 1 3 339.443 2.073 10 30 EEEEHO CC#CC[N@@H+](C)CCN(C(=O)c1ccn(-c2ccncc2)n1)C(C)C ZINC001284545034 1326605765 /nfs/dbraw/zinc/60/57/65/1326605765.db2.gz VXPOCTDOHWKVGT-UHFFFAOYSA-N 1 3 339.443 2.073 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@@H+](C[C@H](C)CC)C2)CC1 ZINC001317811908 1332417435 /nfs/dbraw/zinc/41/74/35/1332417435.db2.gz SEGGNMRYPZYOSW-QZTJIDSGSA-N 1 3 333.520 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001317811908 1332417438 /nfs/dbraw/zinc/41/74/38/1332417438.db2.gz SEGGNMRYPZYOSW-QZTJIDSGSA-N 1 3 333.520 2.206 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001323098427 1333385344 /nfs/dbraw/zinc/38/53/44/1333385344.db2.gz CKYVLMUBUDZVIA-PMACEKPBSA-N 1 3 341.499 2.109 10 30 EEEEHO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001325901865 1333991116 /nfs/dbraw/zinc/99/11/16/1333991116.db2.gz ZIONYXGGSQCVKK-RBUKOAKNSA-N 1 3 331.504 2.340 10 30 EEEEHO C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001325901865 1333991118 /nfs/dbraw/zinc/99/11/18/1333991118.db2.gz ZIONYXGGSQCVKK-RBUKOAKNSA-N 1 3 331.504 2.340 10 30 EEEEHO C#CC[NH+]1CCC(CCCCCNC(=O)C2(N(C)C)CCC2)CC1 ZINC001327501090 1334302987 /nfs/dbraw/zinc/30/29/87/1334302987.db2.gz VYPBLSULCIPTGL-UHFFFAOYSA-N 1 3 333.520 2.493 10 30 EEEEHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC#Cc1ccccc1)C(C)C)N(C)C ZINC001667508691 1355752061 /nfs/dbraw/zinc/75/20/61/1355752061.db2.gz MTEUNFALEWUQFZ-OALUTQOASA-N 1 3 329.488 2.109 10 30 EEEEHO C=C(Br)CNCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001668066169 1355861391 /nfs/dbraw/zinc/86/13/91/1355861391.db2.gz VLCTUNQFSYMGSZ-HZSPNIEDSA-N 1 3 346.313 2.110 10 30 EEEEHO C=C(Br)CNCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001668066169 1355861393 /nfs/dbraw/zinc/86/13/93/1355861393.db2.gz VLCTUNQFSYMGSZ-HZSPNIEDSA-N 1 3 346.313 2.110 10 30 EEEEHO CN(CCC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCN1C ZINC001670041836 1356266116 /nfs/dbraw/zinc/26/61/16/1356266116.db2.gz JZUVQLUAKAFUAN-SFHVURJKSA-N 1 3 347.890 2.224 10 30 EEEEHO C#CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CCN(CC(=C)C)CC1 ZINC001671477026 1356346035 /nfs/dbraw/zinc/34/60/35/1356346035.db2.gz FXZQRPZZEHHLQF-RBUKOAKNSA-N 1 3 331.504 2.219 10 30 EEEEHO C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCN(CC(=C)C)CC1 ZINC001671477026 1356346041 /nfs/dbraw/zinc/34/60/41/1356346041.db2.gz FXZQRPZZEHHLQF-RBUKOAKNSA-N 1 3 331.504 2.219 10 30 EEEEHO C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCCN2CC)C1 ZINC001672916208 1356613958 /nfs/dbraw/zinc/61/39/58/1356613958.db2.gz OJFYSDBUQLFHDW-CVEARBPZSA-N 1 3 327.900 2.442 10 30 EEEEHO C#CCC[N@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001699689976 1405444050 /nfs/dbraw/zinc/44/40/50/1405444050.db2.gz YDXWHIBQRKCSRQ-QGZVFWFLSA-N 1 3 331.504 2.055 10 30 EEEEHO C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001699689976 1405444055 /nfs/dbraw/zinc/44/40/55/1405444055.db2.gz YDXWHIBQRKCSRQ-QGZVFWFLSA-N 1 3 331.504 2.055 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941139107 779950272 /nfs/dbraw/zinc/95/02/72/779950272.db2.gz QAHXOOXDJKVSHK-GOSISDBHSA-N 1 3 333.520 2.347 10 30 EEEEHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccc(F)c(C#N)c1 ZINC001480527934 1100357814 /nfs/dbraw/zinc/35/78/14/1100357814.db2.gz YFBJAFMKFMIYLW-YCPHGPKFSA-N 1 3 346.450 2.022 10 30 EEEEHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccc(F)c(C#N)c1 ZINC001480527934 1100357824 /nfs/dbraw/zinc/35/78/24/1100357824.db2.gz YFBJAFMKFMIYLW-YCPHGPKFSA-N 1 3 346.450 2.022 10 30 EEEEHO CN(CCC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCCCN1C ZINC001498568040 1107735118 /nfs/dbraw/zinc/73/51/18/1107735118.db2.gz NXTLAVDJVVHLIR-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@@H](CNCc2ccccc2C#N)C1 ZINC001501145873 1113214554 /nfs/dbraw/zinc/21/45/54/1113214554.db2.gz GWDRSZZSZDFJRQ-LPHOPBHVSA-N 1 3 342.487 2.084 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@H](CNCc2ccccc2C#N)C1 ZINC001501145873 1113214558 /nfs/dbraw/zinc/21/45/58/1113214558.db2.gz GWDRSZZSZDFJRQ-LPHOPBHVSA-N 1 3 342.487 2.084 10 30 EEEEHO CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001507426053 1115262752 /nfs/dbraw/zinc/26/27/52/1115262752.db2.gz DZHJFPZPYZLMPA-APWZRJJASA-N 1 3 327.472 2.260 10 30 EEEEHO C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001568407688 1124477507 /nfs/dbraw/zinc/47/75/07/1124477507.db2.gz TUDDXZNWUVSRMA-QZTJIDSGSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001569039140 1125059504 /nfs/dbraw/zinc/05/95/04/1125059504.db2.gz YEIHGPJVAPBPED-GOSISDBHSA-N 1 3 341.499 2.243 10 30 EEEEHO C[C@@H](c1ccncc1)N1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594443885 468590217 /nfs/dbraw/zinc/59/02/17/468590217.db2.gz WNHLGFQDUKTHJB-YJBOKZPZSA-N 1 3 343.475 2.134 10 30 EEEEHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715775 468630802 /nfs/dbraw/zinc/63/08/02/468630802.db2.gz ILHCJBGXIWKZPK-KURKYZTESA-N 1 3 337.508 2.015 10 30 EEEEHO C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600715775 468630804 /nfs/dbraw/zinc/63/08/04/468630804.db2.gz ILHCJBGXIWKZPK-KURKYZTESA-N 1 3 337.508 2.015 10 30 EEEEHO CC[NH+]=C(NCC1CCSCC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261978916 691217061 /nfs/dbraw/zinc/21/70/61/691217061.db2.gz OKKZONBBSKKTLM-GOEBONIOSA-N 1 3 326.554 2.413 10 30 EEEEHO CC#CCN[C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001272701140 1191960334 /nfs/dbraw/zinc/96/03/34/1191960334.db2.gz UBCJVYDTEFFJLP-INIZCTEOSA-N 1 3 327.472 2.319 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC#CC)C2CCCCC2)CC1 ZINC001482412199 1185643421 /nfs/dbraw/zinc/64/34/21/1185643421.db2.gz DPENAKPUZAUGBE-FQEVSTJZSA-N 1 3 343.515 2.010 10 30 EEEEHO C#CCN(C(=O)CN(C)CC(C)(C)C)C1CC[NH+](CCC=C)CC1 ZINC001483987217 1191143446 /nfs/dbraw/zinc/14/34/46/1191143446.db2.gz ICBMVFHRSAZHCK-UHFFFAOYSA-N 1 3 333.520 2.467 10 30 EEEEHO C#CCCN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1CC ZINC001484322603 1191304348 /nfs/dbraw/zinc/30/43/48/1191304348.db2.gz APKVOVKUSUWOEL-POAQFYNOSA-N 1 3 341.499 2.359 10 30 EEEEHO C#CCCN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1CC ZINC001484322603 1191304350 /nfs/dbraw/zinc/30/43/50/1191304350.db2.gz APKVOVKUSUWOEL-POAQFYNOSA-N 1 3 341.499 2.359 10 30 EEEEHO C[NH+](C)CCCCC(=O)N[C@H]1C[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001490947901 1258501477 /nfs/dbraw/zinc/50/14/77/1258501477.db2.gz CJNHLMCIRJDEAD-QAQDUYKDSA-N 1 3 346.450 2.166 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001264194520 1322661354 /nfs/dbraw/zinc/66/13/54/1322661354.db2.gz AJOIFTRYFHXSQK-DLBZAZTESA-N 1 3 339.524 2.136 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001264194520 1322661358 /nfs/dbraw/zinc/66/13/58/1322661358.db2.gz AJOIFTRYFHXSQK-DLBZAZTESA-N 1 3 339.524 2.136 10 30 EEEEHO C#CCCN1CCc2c(CNC(=O)CC[N@@H+](C)CC)cccc2C1 ZINC001280427146 1324219291 /nfs/dbraw/zinc/21/92/91/1324219291.db2.gz UHXKVJSTPCSTSE-UHFFFAOYSA-N 1 3 327.472 2.026 10 30 EEEEHO C#CCCN1CCc2c(CNC(=O)CC[N@H+](C)CC)cccc2C1 ZINC001280427146 1324219296 /nfs/dbraw/zinc/21/92/96/1324219296.db2.gz UHXKVJSTPCSTSE-UHFFFAOYSA-N 1 3 327.472 2.026 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001282242147 1325666309 /nfs/dbraw/zinc/66/63/09/1325666309.db2.gz QKWULIGGDLVQLJ-HZPDHXFCSA-N 1 3 333.520 2.251 10 30 EEEEHO C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001491834643 1330268484 /nfs/dbraw/zinc/26/84/84/1330268484.db2.gz KUFGEQGULBNJJF-MAUKXSAKSA-N 1 3 325.472 2.213 10 30 EEEEHO C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001317157495 1332104222 /nfs/dbraw/zinc/10/42/22/1332104222.db2.gz JBXHWSGPKIFJDH-YJBOKZPZSA-N 1 3 325.472 2.213 10 30 EEEEHO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001319789431 1332768409 /nfs/dbraw/zinc/76/84/09/1332768409.db2.gz AOJMFMVHOKIAJM-LJQANCHMSA-N 1 3 327.472 2.356 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)CCC[NH2+]CCC(F)(F)F)CC1 ZINC001330988409 1334941750 /nfs/dbraw/zinc/94/17/50/1334941750.db2.gz OAVOHMOOPWRLQK-AWEZNQCLSA-N 1 3 347.425 2.159 10 30 EEEEHO C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCO1 ZINC001570973077 1343144644 /nfs/dbraw/zinc/14/46/44/1343144644.db2.gz KQVGQTXFYXIJRL-IAGOWNOFSA-N 1 3 337.508 2.033 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC3CC3)C2)CC1 ZINC001676976301 1357253773 /nfs/dbraw/zinc/25/37/73/1357253773.db2.gz VNBQSSFJQADFPW-MJGOQNOKSA-N 1 3 331.504 2.006 10 30 EEEEHO C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001664835763 1355239381 /nfs/dbraw/zinc/23/93/81/1355239381.db2.gz LZMMSSFKWMFNQY-APWZRJJASA-N 1 3 337.483 2.003 10 30 EEEEHO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001664835763 1355239386 /nfs/dbraw/zinc/23/93/86/1355239386.db2.gz LZMMSSFKWMFNQY-APWZRJJASA-N 1 3 337.483 2.003 10 30 EEEEHO C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001664835766 1355239642 /nfs/dbraw/zinc/23/96/42/1355239642.db2.gz LZMMSSFKWMFNQY-VQIMIIECSA-N 1 3 337.483 2.003 10 30 EEEEHO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001664835766 1355239648 /nfs/dbraw/zinc/23/96/48/1355239648.db2.gz LZMMSSFKWMFNQY-VQIMIIECSA-N 1 3 337.483 2.003 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001669572068 1356176620 /nfs/dbraw/zinc/17/66/20/1356176620.db2.gz MBRWNGTVHNPXNF-PKOBYXMFSA-N 1 3 327.472 2.007 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC#Cc1ccccc1 ZINC001669572068 1356176621 /nfs/dbraw/zinc/17/66/21/1356176621.db2.gz MBRWNGTVHNPXNF-PKOBYXMFSA-N 1 3 327.472 2.007 10 30 EEEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001671491922 1356348848 /nfs/dbraw/zinc/34/88/48/1356348848.db2.gz KYEUJGICSQBZQJ-FQEVSTJZSA-N 1 3 341.499 2.453 10 30 EEEEHO CC#CCN1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001673650093 1356727040 /nfs/dbraw/zinc/72/70/40/1356727040.db2.gz DRXFCPFGGNFBLD-FQEVSTJZSA-N 1 3 331.504 2.200 10 30 EEEEHO C[C@@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001675916007 1357068793 /nfs/dbraw/zinc/06/87/93/1357068793.db2.gz RHWTUGMEXSCARJ-INIZCTEOSA-N 1 3 342.487 2.417 10 30 EEEEHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001698772113 1405052887 /nfs/dbraw/zinc/05/28/87/1405052887.db2.gz LQCPESJCTIBXHY-MRXNPFEDSA-N 1 3 349.906 2.375 10 30 EEEEHO C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)NCc1ccc(C#N)s1 ZINC001437212967 1089291474 /nfs/dbraw/zinc/29/14/74/1089291474.db2.gz IAUAAKBDSWXACN-CABCVRRESA-N 1 3 348.516 2.479 10 30 EEEEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001445615004 1091409489 /nfs/dbraw/zinc/40/94/89/1091409489.db2.gz VVIKWMKILSYNJZ-LPHOPBHVSA-N 1 3 342.487 2.415 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001441849675 1095935368 /nfs/dbraw/zinc/93/53/68/1095935368.db2.gz MYJHQASNUFWBCQ-CZUORRHYSA-N 1 3 334.489 2.087 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001441849675 1095935374 /nfs/dbraw/zinc/93/53/74/1095935374.db2.gz MYJHQASNUFWBCQ-CZUORRHYSA-N 1 3 334.489 2.087 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001495496492 1101206594 /nfs/dbraw/zinc/20/65/94/1101206594.db2.gz WULBCUPHJMXJED-QGZVFWFLSA-N 1 3 327.472 2.290 10 30 EEEEHO C#CCCN[C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001493900292 1103077880 /nfs/dbraw/zinc/07/78/80/1103077880.db2.gz WEEYRENNCMYWJH-IBGZPJMESA-N 1 3 327.472 2.189 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]CC=C(Cl)Cl)CC1 ZINC001480814291 1107166256 /nfs/dbraw/zinc/16/62/56/1107166256.db2.gz WMUUOQRGDYHHON-CYBMUJFWSA-N 1 3 346.302 2.135 10 30 EEEEHO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001493240733 1107753338 /nfs/dbraw/zinc/75/33/38/1107753338.db2.gz UJLVUHGRKNRIQF-YJBOKZPZSA-N 1 3 325.472 2.213 10 30 EEEEHO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001493240733 1107753344 /nfs/dbraw/zinc/75/33/44/1107753344.db2.gz UJLVUHGRKNRIQF-YJBOKZPZSA-N 1 3 325.472 2.213 10 30 EEEEHO C=C(C)CN(C)Cc1ccccc1CNC(=O)C12CC[NH+](CC1)C2 ZINC001501669045 1113425436 /nfs/dbraw/zinc/42/54/36/1113425436.db2.gz YLRRQLOSBSIBIZ-UHFFFAOYSA-N 1 3 327.472 2.407 10 30 EEEEHO C[C@@H]1[C@H](NCc2ccc(C#N)c(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001507291378 1115176746 /nfs/dbraw/zinc/17/67/46/1115176746.db2.gz VLNXLIRWCJFCKL-RDTXWAMCSA-N 1 3 346.450 2.118 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@](C)(C[NH2+]CC2CC(C)C2)C2CC2)CC1 ZINC001568034876 1124241826 /nfs/dbraw/zinc/24/18/26/1124241826.db2.gz YGVYRPXRZUXGKP-MYKUNDNFSA-N 1 3 345.531 2.252 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000246564399 464600818 /nfs/dbraw/zinc/60/08/18/464600818.db2.gz YFFYZKGRPRTADA-FUHWJXTLSA-N 1 3 336.524 2.399 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000246564399 464600826 /nfs/dbraw/zinc/60/08/26/464600826.db2.gz YFFYZKGRPRTADA-FUHWJXTLSA-N 1 3 336.524 2.399 10 30 EEEEHO CC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)N1CCc2ccccc2C1 ZINC000594440267 468589166 /nfs/dbraw/zinc/58/91/66/468589166.db2.gz BFTHMMOPJGLPLX-RBUKOAKNSA-N 1 3 342.487 2.351 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)C(C)C ZINC000626937847 469762622 /nfs/dbraw/zinc/76/26/22/469762622.db2.gz WJKNSKNYWPJSNE-IAGOWNOFSA-N 1 3 334.508 2.269 10 30 EEEEHO C=CC[C@]1(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662744995 472231257 /nfs/dbraw/zinc/23/12/57/472231257.db2.gz CJECCBZAZSCHTD-UYAOXDASSA-N 1 3 327.472 2.418 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCNCc2ccc(C#N)s2)C1 ZINC001266813087 1177472270 /nfs/dbraw/zinc/47/22/70/1177472270.db2.gz DFUBZAQAFCAYLS-OAHLLOKOSA-N 1 3 348.516 2.290 10 30 EEEEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCNCc2ccc(C#N)s2)C1 ZINC001266813087 1177472274 /nfs/dbraw/zinc/47/22/74/1177472274.db2.gz DFUBZAQAFCAYLS-OAHLLOKOSA-N 1 3 348.516 2.290 10 30 EEEEHO C#CCCN1CCCC[C@H]1CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266855996 1177582029 /nfs/dbraw/zinc/58/20/29/1177582029.db2.gz IUMABILXJORZTP-LPHOPBHVSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCCN1CCCC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266855996 1177582032 /nfs/dbraw/zinc/58/20/32/1177582032.db2.gz IUMABILXJORZTP-LPHOPBHVSA-N 1 3 337.483 2.193 10 30 EEEEHO CC(C)[C@@H](C(=O)N(C)CCNCc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001267473125 1179105376 /nfs/dbraw/zinc/10/53/76/1179105376.db2.gz AZKGQJCOPNCALY-KRWDZBQOSA-N 1 3 348.516 2.288 10 30 EEEEHO CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCc1ccc(C#N)c(F)c1 ZINC001481845934 1182789909 /nfs/dbraw/zinc/78/99/09/1182789909.db2.gz PGQAKMUUUMFWNY-INIZCTEOSA-N 1 3 346.450 2.024 10 30 EEEEHO C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001482015834 1183133988 /nfs/dbraw/zinc/13/39/88/1183133988.db2.gz JUSUILBYGFYOTC-KZNAEPCWSA-N 1 3 337.508 2.079 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268686483 1183608887 /nfs/dbraw/zinc/60/88/87/1183608887.db2.gz CZKVYLGUFXXGLA-HDMKZQKVSA-N 1 3 347.890 2.126 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268686483 1183608890 /nfs/dbraw/zinc/60/88/90/1183608890.db2.gz CZKVYLGUFXXGLA-HDMKZQKVSA-N 1 3 347.890 2.126 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC2CC(C)(C)C2)C2CC2)CC1 ZINC001269149654 1184003537 /nfs/dbraw/zinc/00/35/37/1184003537.db2.gz SZXPORRFFBBBSD-LJQANCHMSA-N 1 3 345.531 2.252 10 30 EEEEHO CC[C@H](C(=O)NCC1([NH2+]CC#Cc2ccccc2)CCCC1)N(C)C ZINC001482235353 1184460959 /nfs/dbraw/zinc/46/09/59/1184460959.db2.gz BSORWKJYYBCXKT-LJQANCHMSA-N 1 3 341.499 2.397 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270346083 1185035225 /nfs/dbraw/zinc/03/52/25/1185035225.db2.gz YMQPGDRGXCEIPT-VIQWUECVSA-N 1 3 345.531 2.301 10 30 EEEEHO CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001482509372 1186426831 /nfs/dbraw/zinc/42/68/31/1186426831.db2.gz VCRHDKUOQSZETL-IBGZPJMESA-N 1 3 333.520 2.445 10 30 EEEEHO CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCCN2CC)CC1 ZINC001482509372 1186426834 /nfs/dbraw/zinc/42/68/34/1186426834.db2.gz VCRHDKUOQSZETL-IBGZPJMESA-N 1 3 333.520 2.445 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[N@H+](C)Cc2cccc(C)c2)CC1 ZINC001272178620 1187987216 /nfs/dbraw/zinc/98/72/16/1187987216.db2.gz NCYLWSAMPNOQRX-UHFFFAOYSA-N 1 3 341.499 2.230 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[N@@H+](C)Cc2cccc(C)c2)CC1 ZINC001272178620 1187987218 /nfs/dbraw/zinc/98/72/18/1187987218.db2.gz NCYLWSAMPNOQRX-UHFFFAOYSA-N 1 3 341.499 2.230 10 30 EEEEHO C#CCN1CCC([C@H](C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001279156795 1193551822 /nfs/dbraw/zinc/55/18/22/1193551822.db2.gz YJWBPWPORJYYRA-HNAYVOBHSA-N 1 3 337.483 2.049 10 30 EEEEHO C#CCN1CCC([C@H](C)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001279156795 1193551825 /nfs/dbraw/zinc/55/18/25/1193551825.db2.gz YJWBPWPORJYYRA-HNAYVOBHSA-N 1 3 337.483 2.049 10 30 EEEEHO C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001279156795 1193551827 /nfs/dbraw/zinc/55/18/27/1193551827.db2.gz YJWBPWPORJYYRA-HNAYVOBHSA-N 1 3 337.483 2.049 10 30 EEEEHO C#CCN1CCC(C(=O)NC2(C)CC[NH+](CCCC=C)CC2)CC1 ZINC001483977047 1191138660 /nfs/dbraw/zinc/13/86/60/1191138660.db2.gz SDOXLOCLBWZHSO-UHFFFAOYSA-N 1 3 331.504 2.269 10 30 EEEEHO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000876709045 1199732864 /nfs/dbraw/zinc/73/28/64/1199732864.db2.gz HSXYSEOYOZLWJJ-STQMWFEESA-N 1 3 327.881 2.471 10 30 EEEEHO C#CCCN[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccccc1 ZINC001691782474 1214694381 /nfs/dbraw/zinc/69/43/81/1214694381.db2.gz OMXXYUXUIMHTDI-IPMKNSEASA-N 1 3 327.472 2.187 10 30 EEEEHO C#CCCN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC001691782474 1214694386 /nfs/dbraw/zinc/69/43/86/1214694386.db2.gz OMXXYUXUIMHTDI-IPMKNSEASA-N 1 3 327.472 2.187 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000900415732 1234333623 /nfs/dbraw/zinc/33/36/23/1234333623.db2.gz WBBGYUAIVINTSV-UHFFFAOYSA-N 1 3 339.430 2.363 10 30 EEEEHO C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001491263109 1258862021 /nfs/dbraw/zinc/86/20/21/1258862021.db2.gz DKQVOSRSLQDFPO-APWZRJJASA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CC2)CC1 ZINC001277260146 1302049839 /nfs/dbraw/zinc/04/98/39/1302049839.db2.gz XGFWIOYKSQKKGL-UHFFFAOYSA-N 1 3 331.504 2.006 10 30 EEEEHO C#CCN(C(=O)CC[N@@H+](C)CC)C1CCN(Cc2ccccc2)CC1 ZINC001278194957 1306246253 /nfs/dbraw/zinc/24/62/53/1306246253.db2.gz YGBKFHCEMKXEIX-UHFFFAOYSA-N 1 3 341.499 2.455 10 30 EEEEHO C#CCN(C(=O)CC[N@H+](C)CC)C1CCN(Cc2ccccc2)CC1 ZINC001278194957 1306246266 /nfs/dbraw/zinc/24/62/66/1306246266.db2.gz YGBKFHCEMKXEIX-UHFFFAOYSA-N 1 3 341.499 2.455 10 30 EEEEHO C[C@@H]1[C@H](NCC#Cc2ccc(F)cc2)CCN1C(=O)CCC[NH+](C)C ZINC001278294032 1309085210 /nfs/dbraw/zinc/08/52/10/1309085210.db2.gz QQGVVBIVJXSQDU-VQIMIIECSA-N 1 3 345.462 2.098 10 30 EEEEHO CC#CC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001279002890 1318969733 /nfs/dbraw/zinc/96/97/33/1318969733.db2.gz QVIMCUMMBSXGOV-DNVCBOLYSA-N 1 3 339.499 2.343 10 30 EEEEHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001263186428 1322441838 /nfs/dbraw/zinc/44/18/38/1322441838.db2.gz BVCMHRDMDVZPTJ-DLBZAZTESA-N 1 3 343.471 2.432 10 30 EEEEHO CC#CCN1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001264032031 1322592366 /nfs/dbraw/zinc/59/23/66/1322592366.db2.gz GHJLJXVFJNGRIK-BHIYHBOVSA-N 1 3 333.520 2.347 10 30 EEEEHO CC[C@@H](C(=O)NC1CCC([NH2+]CC#Cc2ccccc2)CC1)N(C)C ZINC001265739151 1323358601 /nfs/dbraw/zinc/35/86/01/1323358601.db2.gz AJCWVPBWXVFWHQ-MHJFOBGBSA-N 1 3 341.499 2.395 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC=C(C)C)C2)CC1 ZINC001266120095 1323689978 /nfs/dbraw/zinc/68/99/78/1323689978.db2.gz SVNDSNAADDUOBD-LJQANCHMSA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC=C(C)C)C2)CC1 ZINC001266120095 1323689980 /nfs/dbraw/zinc/68/99/80/1323689980.db2.gz SVNDSNAADDUOBD-LJQANCHMSA-N 1 3 331.504 2.221 10 30 EEEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266241901 1323831377 /nfs/dbraw/zinc/83/13/77/1323831377.db2.gz VVDDNSDPVZIRGL-JKSUJKDBSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266241901 1323831383 /nfs/dbraw/zinc/83/13/83/1323831383.db2.gz VVDDNSDPVZIRGL-JKSUJKDBSA-N 1 3 327.900 2.442 10 30 EEEEHO CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)CN1CC[C@H](C)C1 ZINC001283350203 1326023986 /nfs/dbraw/zinc/02/39/86/1326023986.db2.gz GRPYEJACIBSJRB-IBGZPJMESA-N 1 3 341.499 2.360 10 30 EEEEHO C=CC[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C(F)(F)F ZINC001316726573 1331842509 /nfs/dbraw/zinc/84/25/09/1331842509.db2.gz GQUQJDFMZKSSHB-ZIAGYGMSSA-N 1 3 347.425 2.273 10 30 EEEEHO C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001324645198 1333730204 /nfs/dbraw/zinc/73/02/04/1333730204.db2.gz BPKZVWFRSDLISX-ZWKOTPCHSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001324645198 1333730205 /nfs/dbraw/zinc/73/02/05/1333730205.db2.gz BPKZVWFRSDLISX-ZWKOTPCHSA-N 1 3 325.472 2.356 10 30 EEEEHO C#CCN1CCC[C@](C)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001324974983 1333800561 /nfs/dbraw/zinc/80/05/61/1333800561.db2.gz DPOMTEPVMIFYFH-HXUWFJFHSA-N 1 3 327.472 2.213 10 30 EEEEHO C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001330916770 1334926444 /nfs/dbraw/zinc/92/64/44/1334926444.db2.gz OHPDSXBNOWROJW-MAUKXSAKSA-N 1 3 325.472 2.097 10 30 EEEEHO C=CCN1CCC(NC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)CC1 ZINC001357158634 1338967873 /nfs/dbraw/zinc/96/78/73/1338967873.db2.gz CGBYMGAMFUODNP-BQFCYCMXSA-N 1 3 334.508 2.009 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001567021582 1342680750 /nfs/dbraw/zinc/68/07/50/1342680750.db2.gz MDDYUZSDKHWIOX-MJGOQNOKSA-N 1 3 327.472 2.007 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001567021582 1342680756 /nfs/dbraw/zinc/68/07/56/1342680756.db2.gz MDDYUZSDKHWIOX-MJGOQNOKSA-N 1 3 327.472 2.007 10 30 EEEEHO CC#CCN1CCC(C2(NC(=O)[C@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001677468201 1357336449 /nfs/dbraw/zinc/33/64/49/1357336449.db2.gz ZHXFDYBBAWVAGZ-SFHVURJKSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H](C)CCC=C)C2)CC1 ZINC001691758115 1357587789 /nfs/dbraw/zinc/58/77/89/1357587789.db2.gz SKGVRTVZPMXUNU-LMMKCTJWSA-N 1 3 331.504 2.171 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC/C=C/CC)CC1 ZINC001656109128 1354202849 /nfs/dbraw/zinc/20/28/49/1354202849.db2.gz FRGXEPQRCZVMLX-OVKVCFKUSA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC/C=C/CC)CC1 ZINC001656109128 1354202851 /nfs/dbraw/zinc/20/28/51/1354202851.db2.gz FRGXEPQRCZVMLX-OVKVCFKUSA-N 1 3 331.504 2.221 10 30 EEEEHO C=C(C)CC[NH2+]C1(CNC(=O)CN2[C@H](C)CC[C@H]2C)CCOCC1 ZINC001671957832 1356443664 /nfs/dbraw/zinc/44/36/64/1356443664.db2.gz RHIKCXVOHHEATR-IAGOWNOFSA-N 1 3 337.508 2.080 10 30 EEEEHO C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001673376758 1356679956 /nfs/dbraw/zinc/67/99/56/1356679956.db2.gz UWMOZSABUCNKFQ-QZTJIDSGSA-N 1 3 337.508 2.033 10 30 EEEEHO C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2C(C)C)CC1 ZINC001673376758 1356679959 /nfs/dbraw/zinc/67/99/59/1356679959.db2.gz UWMOZSABUCNKFQ-QZTJIDSGSA-N 1 3 337.508 2.033 10 30 EEEEHO C#CCN1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001673646600 1356725557 /nfs/dbraw/zinc/72/55/57/1356725557.db2.gz YQDQWWNZDABAET-FQEVSTJZSA-N 1 3 345.531 2.446 10 30 EEEEHO C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CN(C)C1CCC1 ZINC001699104284 1405258194 /nfs/dbraw/zinc/25/81/94/1405258194.db2.gz GXUNAEWRAXJDDO-CQSZACIVSA-N 1 3 346.450 2.166 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2ccccc2C)CC1 ZINC001498197900 1107066581 /nfs/dbraw/zinc/06/65/81/1107066581.db2.gz ZRUYKASBOJUCED-ROUUACIJSA-N 1 3 341.499 2.496 10 30 EEEEHO CCN(CCNCc1ccc(C#N)s1)C(=O)C12CCC[NH+]1CCC2 ZINC001568756811 1124771297 /nfs/dbraw/zinc/77/12/97/1124771297.db2.gz VWCHBOMINNVCHA-UHFFFAOYSA-N 1 3 346.500 2.186 10 30 EEEEHO CC[NH+]1CCC(CCNC(=O)C(C#N)Cc2ccc(C#N)cc2)CC1 ZINC000280289066 270016843 /nfs/dbraw/zinc/01/68/43/270016843.db2.gz GLRXMHPNGKRHKH-IBGZPJMESA-N 1 3 338.455 2.479 10 30 EEEEHO N#Cc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000594974183 468736292 /nfs/dbraw/zinc/73/62/92/468736292.db2.gz HGGCZBFUQDZUKP-INIZCTEOSA-N 1 3 327.453 2.476 10 30 EEEEHO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC000602583716 469372200 /nfs/dbraw/zinc/37/22/00/469372200.db2.gz RVFRMFXVNNFQMM-NEWSRXKRSA-N 1 3 342.487 2.282 10 30 EEEEHO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](N)CCCCC#N ZINC000602583716 469372208 /nfs/dbraw/zinc/37/22/08/469372208.db2.gz RVFRMFXVNNFQMM-NEWSRXKRSA-N 1 3 342.487 2.282 10 30 EEEEHO C#CCN1CCC2(C[C@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001266374490 1176443468 /nfs/dbraw/zinc/44/34/68/1176443468.db2.gz ZRYQYPSQBSWOLJ-QGZVFWFLSA-N 1 3 331.504 2.102 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)C[NH2+]CCC2CCCC2)CC1 ZINC001268015871 1180978764 /nfs/dbraw/zinc/97/87/64/1180978764.db2.gz VCIFGJZCWXFWFQ-QGZVFWFLSA-N 1 3 333.520 2.254 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001482034151 1183181722 /nfs/dbraw/zinc/18/17/22/1183181722.db2.gz VTOFXRHIJRXQGT-LJQANCHMSA-N 1 3 327.472 2.289 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001482034151 1183181725 /nfs/dbraw/zinc/18/17/25/1183181725.db2.gz VTOFXRHIJRXQGT-LJQANCHMSA-N 1 3 327.472 2.289 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001270346007 1185035066 /nfs/dbraw/zinc/03/50/66/1185035066.db2.gz WGHGAYVBCIWUFH-ZWKOTPCHSA-N 1 3 333.520 2.301 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1Cl)NC(=O)C1CC[NH+](C)CC1 ZINC001483163057 1188987713 /nfs/dbraw/zinc/98/77/13/1188987713.db2.gz WPTJENHFOQBBCP-OAHLLOKOSA-N 1 3 347.890 2.128 10 30 EEEEHO C=C(Cl)CN1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001483799020 1191036677 /nfs/dbraw/zinc/03/66/77/1191036677.db2.gz LVSPRDLSFXCKRP-INIZCTEOSA-N 1 3 327.900 2.251 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001484992634 1191609527 /nfs/dbraw/zinc/60/95/27/1191609527.db2.gz KGLAQWPTUZNYCR-QFBILLFUSA-N 1 3 342.487 2.415 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)NCc1ccccc1C#N ZINC001484992634 1191609528 /nfs/dbraw/zinc/60/95/28/1191609528.db2.gz KGLAQWPTUZNYCR-QFBILLFUSA-N 1 3 342.487 2.415 10 30 EEEEHO C#CCN1CCC(C(=O)NC2CC(C[NH2+]C[C@@H](C)CC(C)C)C2)CC1 ZINC001485110355 1191657454 /nfs/dbraw/zinc/65/74/54/1191657454.db2.gz GAVHIXJAIWATRK-ZJRDLVKKSA-N 1 3 347.547 2.498 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001274840539 1205182001 /nfs/dbraw/zinc/18/20/01/1205182001.db2.gz ICZNPFXCZWTFFB-ICSRJNTNSA-N 1 3 341.499 2.397 10 30 EEEEHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC001275479938 1205378468 /nfs/dbraw/zinc/37/84/68/1205378468.db2.gz DONLAYPRUSGINX-LSDHHAIUSA-N 1 3 335.879 2.126 10 30 EEEEHO C#CCN1CCC(C(=O)N(CC)CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC001273764507 1285089309 /nfs/dbraw/zinc/08/93/09/1285089309.db2.gz GNQQOKRMTIALLF-UHFFFAOYSA-N 1 3 345.462 2.109 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H](C)CCC=C)C2)CC1 ZINC001263880569 1322546242 /nfs/dbraw/zinc/54/62/42/1322546242.db2.gz SKGVRTVZPMXUNU-LNLFQRSKSA-N 1 3 331.504 2.171 10 30 EEEEHO CC#CC[N@H+](CC)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001266083135 1323639949 /nfs/dbraw/zinc/63/99/49/1323639949.db2.gz VAMWVGVFNYIHMH-SFHVURJKSA-N 1 3 325.472 2.050 10 30 EEEEHO CC#CC[N@@H+](CC)CCCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001266083135 1323639954 /nfs/dbraw/zinc/63/99/54/1323639954.db2.gz VAMWVGVFNYIHMH-SFHVURJKSA-N 1 3 325.472 2.050 10 30 EEEEHO C=C(Br)CNCC[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001280252450 1324129856 /nfs/dbraw/zinc/12/98/56/1324129856.db2.gz SQEPVOHRVANCTH-AWEZNQCLSA-N 1 3 346.313 2.065 10 30 EEEEHO C=C(Br)CNCC[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001280252450 1324129860 /nfs/dbraw/zinc/12/98/60/1324129860.db2.gz SQEPVOHRVANCTH-AWEZNQCLSA-N 1 3 346.313 2.065 10 30 EEEEHO C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC001282991990 1325870711 /nfs/dbraw/zinc/87/07/11/1325870711.db2.gz DJFBZVORJIJDNP-LZQZEXGQSA-N 1 3 330.476 2.477 10 30 EEEEHO C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH]cn3)C[C@@]2(C)C1 ZINC001282991990 1325870715 /nfs/dbraw/zinc/87/07/15/1325870715.db2.gz DJFBZVORJIJDNP-LZQZEXGQSA-N 1 3 330.476 2.477 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC[C@H](C)F)C(C)(C)C)CC1 ZINC001284653695 1326647714 /nfs/dbraw/zinc/64/77/14/1326647714.db2.gz VBSWSRAJTVSLSU-RDJZCZTQSA-N 1 3 339.499 2.200 10 30 EEEEHO CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)N(C)C ZINC001317810145 1332416853 /nfs/dbraw/zinc/41/68/53/1332416853.db2.gz YKBZICGTCPZMHV-VQTJNVASSA-N 1 3 341.499 2.207 10 30 EEEEHO CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)N(C)C ZINC001317810145 1332416856 /nfs/dbraw/zinc/41/68/56/1332416856.db2.gz YKBZICGTCPZMHV-VQTJNVASSA-N 1 3 341.499 2.207 10 30 EEEEHO CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001319271379 1332673890 /nfs/dbraw/zinc/67/38/90/1332673890.db2.gz ZUIVVKLPAMZYFF-LPHOPBHVSA-N 1 3 347.478 2.105 10 30 EEEEHO CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@H]21 ZINC001332138586 1335739554 /nfs/dbraw/zinc/73/95/54/1335739554.db2.gz ATQNUMDOFLKIMI-IPMKNSEASA-N 1 3 345.531 2.491 10 30 EEEEHO C=C(C)CN[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001333023138 1335949595 /nfs/dbraw/zinc/94/95/95/1335949595.db2.gz YFJYKZKHSBVCBR-KGLIPLIRSA-N 1 3 335.414 2.273 10 30 EEEEHO C=C(C)CN[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C(F)(F)F ZINC001333023138 1335949596 /nfs/dbraw/zinc/94/95/96/1335949596.db2.gz YFJYKZKHSBVCBR-KGLIPLIRSA-N 1 3 335.414 2.273 10 30 EEEEHO C#CCC[N@H+]1CCc2c(CNC(=O)CN(C)CCC)cccc2C1 ZINC001570079055 1343009743 /nfs/dbraw/zinc/00/97/43/1343009743.db2.gz JLNLYTGFWYZKHC-UHFFFAOYSA-N 1 3 327.472 2.026 10 30 EEEEHO C#CCC[N@@H+]1CCc2c(CNC(=O)CN(C)CCC)cccc2C1 ZINC001570079055 1343009748 /nfs/dbraw/zinc/00/97/48/1343009748.db2.gz JLNLYTGFWYZKHC-UHFFFAOYSA-N 1 3 327.472 2.026 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[NH2+]Cc2ccc(C)cc2C)CC1 ZINC001664392215 1355153190 /nfs/dbraw/zinc/15/31/90/1355153190.db2.gz ZVKZNXHGYJMYQS-UHFFFAOYSA-N 1 3 341.499 2.197 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]Cc2cccc(F)c2)CC1 ZINC001665887964 1355405577 /nfs/dbraw/zinc/40/55/77/1355405577.db2.gz KPMCEDPTNYUXTA-LJQANCHMSA-N 1 3 345.462 2.155 10 30 EEEEHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001674674433 1356872933 /nfs/dbraw/zinc/87/29/33/1356872933.db2.gz RUPDNFUHFDGAJH-HOTGVXAUSA-N 1 3 345.462 2.144 10 30 EEEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1cn(C)c2cc(C)ccc12 ZINC000187144722 789402038 /nfs/dbraw/zinc/40/20/38/789402038.db2.gz CIKSDQAXINZMDC-KRWDZBQOSA-N 1 3 341.503 2.418 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@@H+](C)CCc2ccccc2)CC1 ZINC001566520316 1125692275 /nfs/dbraw/zinc/69/22/75/1125692275.db2.gz XATOXTLCVAMTNM-UHFFFAOYSA-N 1 3 341.499 2.012 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[N@H+](C)CCc2ccccc2)CC1 ZINC001566520316 1125692277 /nfs/dbraw/zinc/69/22/77/1125692277.db2.gz XATOXTLCVAMTNM-UHFFFAOYSA-N 1 3 341.499 2.012 10 30 EEEEHO C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1 ZINC001436933723 1088606399 /nfs/dbraw/zinc/60/63/99/1088606399.db2.gz YEHLJMJUVLMLHO-YQQQUEKLSA-N 1 3 340.471 2.122 10 30 EEEEHO C[N@@H+]1CCC[C@H]1CCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001439619495 1092526821 /nfs/dbraw/zinc/52/68/21/1092526821.db2.gz FFVCALGYDKHNTQ-SFHVURJKSA-N 1 3 340.471 2.171 10 30 EEEEHO C[N@H+]1CCC[C@H]1CCC(=O)NCC1(NCc2cccc(C#N)c2)CC1 ZINC001439619495 1092526838 /nfs/dbraw/zinc/52/68/38/1092526838.db2.gz FFVCALGYDKHNTQ-SFHVURJKSA-N 1 3 340.471 2.171 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)CC1(C)C ZINC001440620159 1093888455 /nfs/dbraw/zinc/88/84/55/1093888455.db2.gz KYKYTIPJOUGVGV-GOSISDBHSA-N 1 3 342.487 2.227 10 30 EEEEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001440796690 1094039385 /nfs/dbraw/zinc/03/93/85/1094039385.db2.gz KZCPZVOOYMYEPA-QWHCGFSZSA-N 1 3 334.489 2.087 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)NCc2ccccc2C#N)CC[N@@H+]1C ZINC001442263242 1096567443 /nfs/dbraw/zinc/56/74/43/1096567443.db2.gz YJNPDDUHHIICMK-AYOQOUSVSA-N 1 3 342.487 2.273 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)NCc2ccccc2C#N)CC[N@H+]1C ZINC001442263242 1096567446 /nfs/dbraw/zinc/56/74/46/1096567446.db2.gz YJNPDDUHHIICMK-AYOQOUSVSA-N 1 3 342.487 2.273 10 30 EEEEHO C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C(F)(F)F ZINC001479626011 1098650475 /nfs/dbraw/zinc/65/04/75/1098650475.db2.gz SMFPXOUSKLESJS-TZMCWYRMSA-N 1 3 344.381 2.145 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)C1 ZINC001444797766 1099712586 /nfs/dbraw/zinc/71/25/86/1099712586.db2.gz WQXPRVXQZBLNMU-QFBILLFUSA-N 1 3 342.487 2.225 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)CC(C)C)C2)CC1 ZINC001480238786 1099871444 /nfs/dbraw/zinc/87/14/44/1099871444.db2.gz XFQFQFKPDBKTKS-QRQLOZEOSA-N 1 3 333.520 2.251 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCCCC)CC1 ZINC001496920829 1101722231 /nfs/dbraw/zinc/72/22/31/1101722231.db2.gz ZZYALBGGBATTFC-RTBURBONSA-N 1 3 333.520 2.396 10 30 EEEEHO CN(CCCNCc1ccccc1C#N)C(=O)CC1CC[NH+](C)CC1 ZINC001498620713 1107825242 /nfs/dbraw/zinc/82/52/42/1107825242.db2.gz HKDFKGUUSBVNIF-UHFFFAOYSA-N 1 3 342.487 2.228 10 30 EEEEHO C=C(Br)CNCC[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001568068282 1124273367 /nfs/dbraw/zinc/27/33/67/1124273367.db2.gz TYDJDXCVKQVSBG-AWEZNQCLSA-N 1 3 346.313 2.065 10 30 EEEEHO CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H](C(C)C)N(C)C ZINC001568793598 1124805663 /nfs/dbraw/zinc/80/56/63/1124805663.db2.gz QWIYQCDVYURMOJ-GOSISDBHSA-N 1 3 330.476 2.083 10 30 EEEEHO C[C@H](CNCC#Cc1ccc(F)cc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001569022645 1125048057 /nfs/dbraw/zinc/04/80/57/1125048057.db2.gz SWFWKHKFFKDQIQ-MRXNPFEDSA-N 1 3 345.462 2.003 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(CC)cc2)CC1 ZINC001569099042 1125097135 /nfs/dbraw/zinc/09/71/35/1125097135.db2.gz OLVDGKKVAALCST-KRWDZBQOSA-N 1 3 341.499 2.189 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)CCCC2CCC2)CC1 ZINC001569152517 1125131565 /nfs/dbraw/zinc/13/15/65/1125131565.db2.gz CLKXUIGKLGEJOH-KRWDZBQOSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCC2CCC2)CC1 ZINC001569152517 1125131567 /nfs/dbraw/zinc/13/15/67/1125131567.db2.gz CLKXUIGKLGEJOH-KRWDZBQOSA-N 1 3 333.520 2.348 10 30 EEEEHO C=C(Br)CNCCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001569246512 1125187848 /nfs/dbraw/zinc/18/78/48/1125187848.db2.gz FLOAPYCYUKTPPO-UHFFFAOYSA-N 1 3 346.313 2.065 10 30 EEEEHO C=CC[C@@]1(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)CCC[NH2+]1 ZINC000662682157 472204172 /nfs/dbraw/zinc/20/41/72/472204172.db2.gz HBGDSKHNFCISCG-FQEVSTJZSA-N 1 3 343.471 2.280 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000106341126 526585380 /nfs/dbraw/zinc/58/53/80/526585380.db2.gz LPLAMJIXRKDTPP-UHFFFAOYSA-N 1 3 334.508 2.297 10 30 EEEEHO C[NH+](C)C1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000749513932 577977482 /nfs/dbraw/zinc/97/74/82/577977482.db2.gz HCDMFONKPCTDPC-CQSZACIVSA-N 1 3 342.468 2.499 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCCCCF)CC1 ZINC001691112513 1177602235 /nfs/dbraw/zinc/60/22/35/1177602235.db2.gz HJAJIXXDNTVNFY-SFHVURJKSA-N 1 3 337.483 2.052 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCCCF)CC1 ZINC001691112513 1177602239 /nfs/dbraw/zinc/60/22/39/1177602239.db2.gz HJAJIXXDNTVNFY-SFHVURJKSA-N 1 3 337.483 2.052 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266939297 1177853284 /nfs/dbraw/zinc/85/32/84/1177853284.db2.gz FBMJXBLIUBKXPD-IEBWSBKVSA-N 1 3 327.472 2.005 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266939297 1177853290 /nfs/dbraw/zinc/85/32/90/1177853290.db2.gz FBMJXBLIUBKXPD-IEBWSBKVSA-N 1 3 327.472 2.005 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001266994347 1178052538 /nfs/dbraw/zinc/05/25/38/1178052538.db2.gz LPJIBXPOHPOVHB-ROUUACIJSA-N 1 3 341.499 2.496 10 30 EEEEHO C#CCCN1CC[C@H](N(CC)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267791713 1180540745 /nfs/dbraw/zinc/54/07/45/1180540745.db2.gz WNLLXFHNDSZHLV-QFBILLFUSA-N 1 3 337.483 2.145 10 30 EEEEHO C#CCCN1CC[C@H](N(CC)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267791713 1180540747 /nfs/dbraw/zinc/54/07/47/1180540747.db2.gz WNLLXFHNDSZHLV-QFBILLFUSA-N 1 3 337.483 2.145 10 30 EEEEHO CC[C@H](C(=O)NC[C@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)C)N(C)C ZINC001482564394 1186845592 /nfs/dbraw/zinc/84/55/92/1186845592.db2.gz BZHSERKJGLRRFV-ZWKOTPCHSA-N 1 3 348.466 2.268 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@H]1CC[C@H](CNCc2cc(F)ccc2C#N)C1 ZINC001486211064 1193751424 /nfs/dbraw/zinc/75/14/24/1193751424.db2.gz SJVGEUPWMSHJOH-KSSFIOAISA-N 1 3 346.450 2.024 10 30 EEEEHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001274786745 1205164801 /nfs/dbraw/zinc/16/48/01/1205164801.db2.gz WXZQDORHJQRMDW-QFBILLFUSA-N 1 3 347.478 2.248 10 30 EEEEHO C[C@H](NCC#Cc1ccc(Cl)cc1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001275479936 1205378500 /nfs/dbraw/zinc/37/85/00/1205378500.db2.gz DONLAYPRUSGINX-GJZGRUSLSA-N 1 3 335.879 2.126 10 30 EEEEHO CC#CCN1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001490985415 1258542565 /nfs/dbraw/zinc/54/25/65/1258542565.db2.gz YTVSDDJZDAFFRP-OALUTQOASA-N 1 3 331.504 2.199 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001491080494 1258646088 /nfs/dbraw/zinc/64/60/88/1258646088.db2.gz OMHSIHCZCZLWOL-HSALFYBXSA-N 1 3 339.483 2.149 10 30 EEEEHO CC[C@H](C(=O)NC1CCC([NH2+]Cc2ccc(C#N)s2)CC1)N(C)C ZINC001491356676 1258990989 /nfs/dbraw/zinc/99/09/89/1258990989.db2.gz QTXZNHHFTTYUJY-MQBCKMQZSA-N 1 3 348.516 2.477 10 30 EEEEHO CCN(CC#Cc1ccccc1)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001316901061 1331966902 /nfs/dbraw/zinc/96/69/02/1331966902.db2.gz XGYOGMQIVQGVHZ-HXUWFJFHSA-N 1 3 343.515 2.453 10 30 EEEEHO CC#CCN1CCC[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317139555 1332096011 /nfs/dbraw/zinc/09/60/11/1332096011.db2.gz JXVOSNZSPUCFSD-LPHOPBHVSA-N 1 3 337.483 2.050 10 30 EEEEHO CC#CCN1CCC[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317139555 1332096014 /nfs/dbraw/zinc/09/60/14/1332096014.db2.gz JXVOSNZSPUCFSD-LPHOPBHVSA-N 1 3 337.483 2.050 10 30 EEEEHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)N(C)C ZINC001317810144 1332416374 /nfs/dbraw/zinc/41/63/74/1332416374.db2.gz YKBZICGTCPZMHV-UXHICEINSA-N 1 3 341.499 2.207 10 30 EEEEHO CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)N(C)C ZINC001317810144 1332416375 /nfs/dbraw/zinc/41/63/75/1332416375.db2.gz YKBZICGTCPZMHV-UXHICEINSA-N 1 3 341.499 2.207 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001321712670 1333147509 /nfs/dbraw/zinc/14/75/09/1333147509.db2.gz IXPCXWAMQHJMQV-MRXNPFEDSA-N 1 3 333.451 2.003 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001321712670 1333147511 /nfs/dbraw/zinc/14/75/11/1333147511.db2.gz IXPCXWAMQHJMQV-MRXNPFEDSA-N 1 3 333.451 2.003 10 30 EEEEHO CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001324812960 1333765459 /nfs/dbraw/zinc/76/54/59/1333765459.db2.gz KCQPRRLPEKWSND-TZIWHRDSSA-N 1 3 341.499 2.207 10 30 EEEEHO C#CCN1CCC([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001325363432 1333872535 /nfs/dbraw/zinc/87/25/35/1333872535.db2.gz SDKACHGHUMEZIL-FQEVSTJZSA-N 1 3 345.531 2.446 10 30 EEEEHO CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)CN1CCC(C)CC1 ZINC001668597313 1355970069 /nfs/dbraw/zinc/97/00/69/1355970069.db2.gz ZOTUEFPSELAYBM-UHFFFAOYSA-N 1 3 348.516 2.290 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C2C[NH+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001506678562 1342311409 /nfs/dbraw/zinc/31/14/09/1342311409.db2.gz JPTOGBQZJCYFEW-ZWKOTPCHSA-N 1 3 347.547 2.450 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)CCC[NH2+]CC2CCCC2)CC1 ZINC001676024930 1357091534 /nfs/dbraw/zinc/09/15/34/1357091534.db2.gz ZZXWIXNZZAFOQN-QGZVFWFLSA-N 1 3 333.520 2.396 10 30 EEEEHO CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCCN1CC ZINC001569442723 1342870947 /nfs/dbraw/zinc/87/09/47/1342870947.db2.gz GLBJEPCYJZOPIH-XVLXNVKGSA-N 1 3 331.504 2.386 10 30 EEEEHO C[C@@H](CCC[NH2+]Cc1ccc(C#N)s1)NC(=O)CN1CC[C@H](C)C1 ZINC001571307479 1343177269 /nfs/dbraw/zinc/17/72/69/1343177269.db2.gz DBCUOWWCRBXSBL-GJZGRUSLSA-N 1 3 348.516 2.336 10 30 EEEEHO CC#CCN1CCC(C2(NC(=O)[C@@H](CC)[NH+](CC)CC)CC2)CC1 ZINC001677468200 1357336597 /nfs/dbraw/zinc/33/65/97/1357336597.db2.gz ZHXFDYBBAWVAGZ-GOSISDBHSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001663461118 1354964738 /nfs/dbraw/zinc/96/47/38/1354964738.db2.gz HRZAOOKRDRCUML-YZGWKJHDSA-N 1 3 345.531 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001663461118 1354964739 /nfs/dbraw/zinc/96/47/39/1354964739.db2.gz HRZAOOKRDRCUML-YZGWKJHDSA-N 1 3 345.531 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CCC3CC3)CCCC2)CC1 ZINC001665968500 1355417303 /nfs/dbraw/zinc/41/73/03/1355417303.db2.gz HQJFCMVLUAHOQI-UHFFFAOYSA-N 1 3 331.504 2.150 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)CC[NH2+]Cc2ccccc2F)CC1 ZINC001668319847 1355922602 /nfs/dbraw/zinc/92/26/02/1355922602.db2.gz LRWVSWPYZWEVBO-MRXNPFEDSA-N 1 3 345.462 2.155 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000941157414 779998691 /nfs/dbraw/zinc/99/86/91/779998691.db2.gz BZFWIJZOZWVPEZ-LJQANCHMSA-N 1 3 345.531 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCC)CC2(C)C)CC1 ZINC000941239627 780230413 /nfs/dbraw/zinc/23/04/13/780230413.db2.gz QUUYTNRCQSTIBI-GOSISDBHSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC)CC2(C)C)CC1 ZINC000941239627 780230422 /nfs/dbraw/zinc/23/04/22/780230422.db2.gz QUUYTNRCQSTIBI-GOSISDBHSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCCCCC)[C@@H]2C)CC1 ZINC001566116103 1125565610 /nfs/dbraw/zinc/56/56/10/1125565610.db2.gz XQPBZEWJTIULPR-MJGOQNOKSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCC)[C@@H]2C)CC1 ZINC001566116103 1125565613 /nfs/dbraw/zinc/56/56/13/1125565613.db2.gz XQPBZEWJTIULPR-MJGOQNOKSA-N 1 3 333.520 2.491 10 30 EEEEHO CN(Cc1ccc(C#N)s1)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001436846769 1088486342 /nfs/dbraw/zinc/48/63/42/1088486342.db2.gz VSSFUTRQLDLHJX-HNNXBMFYSA-N 1 3 348.516 2.242 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001479494689 1098564081 /nfs/dbraw/zinc/56/40/81/1098564081.db2.gz KTHRJMZSCQREEB-RBUKOAKNSA-N 1 3 342.487 2.273 10 30 EEEEHO C#CCC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001479615922 1098640432 /nfs/dbraw/zinc/64/04/32/1098640432.db2.gz YXGHFUPOYFWZSK-NEWSRXKRSA-N 1 3 331.504 2.099 10 30 EEEEHO C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001479615922 1098640436 /nfs/dbraw/zinc/64/04/36/1098640436.db2.gz YXGHFUPOYFWZSK-NEWSRXKRSA-N 1 3 331.504 2.099 10 30 EEEEHO CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001495389103 1101108670 /nfs/dbraw/zinc/10/86/70/1101108670.db2.gz BVBXYWDWJZNXLZ-OALUTQOASA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC2CC[NH+](CC3CCC3)CC2)CC1 ZINC001495539312 1101255071 /nfs/dbraw/zinc/25/50/71/1101255071.db2.gz CKPHUPXZXFEZAT-UHFFFAOYSA-N 1 3 345.531 2.350 10 30 EEEEHO C=CCN[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001493896892 1103071029 /nfs/dbraw/zinc/07/10/29/1103071029.db2.gz XJUNQKNEUOUFMA-GOSISDBHSA-N 1 3 327.472 2.496 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001497831833 1103164209 /nfs/dbraw/zinc/16/42/09/1103164209.db2.gz VXFBWDZCPQRUOR-IEBWSBKVSA-N 1 3 327.472 2.007 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001497831833 1103164214 /nfs/dbraw/zinc/16/42/14/1103164214.db2.gz VXFBWDZCPQRUOR-IEBWSBKVSA-N 1 3 327.472 2.007 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001494792131 1104373942 /nfs/dbraw/zinc/37/39/42/1104373942.db2.gz IIVQGDOTCDGSKS-PKOBYXMFSA-N 1 3 333.520 2.204 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001494792131 1104373954 /nfs/dbraw/zinc/37/39/54/1104373954.db2.gz IIVQGDOTCDGSKS-PKOBYXMFSA-N 1 3 333.520 2.204 10 30 EEEEHO CN(Cc1ccc(F)c(C#N)c1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480735586 1107007338 /nfs/dbraw/zinc/00/73/38/1107007338.db2.gz VWANUSSCJAKENO-KRWDZBQOSA-N 1 3 346.450 2.072 10 30 EEEEHO C#CCCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001565885036 1125448891 /nfs/dbraw/zinc/44/88/91/1125448891.db2.gz KLLGLLKPLHFKKB-ZCNNSNEGSA-N 1 3 341.499 2.180 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC(C)C)C2)CC1 ZINC001565920554 1125456751 /nfs/dbraw/zinc/45/67/51/1125456751.db2.gz WQHWLVYARQVGJE-PKOBYXMFSA-N 1 3 333.520 2.252 10 30 EEEEHO COc1ccc(C#N)cc1CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000159936790 533267818 /nfs/dbraw/zinc/26/78/18/533267818.db2.gz DNRXGMLYOYUUHO-OAHLLOKOSA-N 1 3 331.460 2.091 10 30 EEEEHO CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](N)CCCCC#N)C2)CC1 ZINC000594436302 468585422 /nfs/dbraw/zinc/58/54/22/468585422.db2.gz CXDZOKKWAMFEPI-MSOLQXFVSA-N 1 3 334.508 2.368 10 30 EEEEHO CN1CCC(N2CC[C@H]([NH2+]Cc3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000594925222 468724348 /nfs/dbraw/zinc/72/43/48/468724348.db2.gz QMUKRCGOFWXIGL-IBGZPJMESA-N 1 3 338.499 2.500 10 30 EEEEHO C[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1CCN(C2CCCC2)C1 ZINC000086897845 526366739 /nfs/dbraw/zinc/36/67/39/526366739.db2.gz YLWIMFPBMYAZOT-OAHLLOKOSA-N 1 3 349.548 2.484 10 30 EEEEHO C#CCN1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001485582882 1191849020 /nfs/dbraw/zinc/84/90/20/1191849020.db2.gz VMQJWOYCAXBXOD-QZTJIDSGSA-N 1 3 327.472 2.139 10 30 EEEEHO C#CCN1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001485582882 1191849021 /nfs/dbraw/zinc/84/90/21/1191849021.db2.gz VMQJWOYCAXBXOD-QZTJIDSGSA-N 1 3 327.472 2.139 10 30 EEEEHO C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001485652828 1191871818 /nfs/dbraw/zinc/87/18/18/1191871818.db2.gz GHFZFLXIMNHYBH-XHSDSOJGSA-N 1 3 339.911 2.440 10 30 EEEEHO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CN(C)C3CCC3)C[C@@H]2C1 ZINC001485652828 1191871820 /nfs/dbraw/zinc/87/18/20/1191871820.db2.gz GHFZFLXIMNHYBH-XHSDSOJGSA-N 1 3 339.911 2.440 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266891385 1177725337 /nfs/dbraw/zinc/72/53/37/1177725337.db2.gz OWWUOUWPVYHQOV-MSOLQXFVSA-N 1 3 333.520 2.491 10 30 EEEEHO CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)N2CCCCC2)C1 ZINC001266891385 1177725343 /nfs/dbraw/zinc/72/53/43/1177725343.db2.gz OWWUOUWPVYHQOV-MSOLQXFVSA-N 1 3 333.520 2.491 10 30 EEEEHO C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001267466847 1179077286 /nfs/dbraw/zinc/07/72/86/1179077286.db2.gz SBULGQBPLQWZNQ-QGZVFWFLSA-N 1 3 339.443 2.380 10 30 EEEEHO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001267466847 1179077295 /nfs/dbraw/zinc/07/72/95/1179077295.db2.gz SBULGQBPLQWZNQ-QGZVFWFLSA-N 1 3 339.443 2.380 10 30 EEEEHO CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/CNCc1ccc(C#N)s1 ZINC001268629946 1183554442 /nfs/dbraw/zinc/55/44/42/1183554442.db2.gz BDXOPANWKHXBFU-BDUNBXCCSA-N 1 3 346.500 2.256 10 30 EEEEHO CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/CNCc1ccc(C#N)s1 ZINC001268629946 1183554443 /nfs/dbraw/zinc/55/44/43/1183554443.db2.gz BDXOPANWKHXBFU-BDUNBXCCSA-N 1 3 346.500 2.256 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@H](C)CNCC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001483164076 1188993649 /nfs/dbraw/zinc/99/36/49/1188993649.db2.gz SNOXZUUIRYFYIL-CRAIPNDOSA-N 1 3 349.906 2.372 10 30 EEEEHO CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC#Cc2ccccc2)C1)N(C)C ZINC001485101591 1191652388 /nfs/dbraw/zinc/65/23/88/1191652388.db2.gz VSEGLNHFZALALN-SOAGJPPSSA-N 1 3 341.499 2.109 10 30 EEEEHO C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001273018788 1194324971 /nfs/dbraw/zinc/32/49/71/1194324971.db2.gz OSBGXQBEWLUUAA-HUUCEWRRSA-N 1 3 346.450 2.024 10 30 EEEEHO C=C(C)C[NH2+][C@@H]1CN(C(=O)CN(C)CCC)CC[C@@H]1C(F)(F)F ZINC001279180484 1198405145 /nfs/dbraw/zinc/40/51/45/1198405145.db2.gz DVILDYUTCMYQRP-UONOGXRCSA-N 1 3 335.414 2.273 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000876967732 1199832624 /nfs/dbraw/zinc/83/26/24/1199832624.db2.gz MCPFGLJSDLQSOX-IAGOWNOFSA-N 1 3 335.879 2.232 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000876967732 1199832627 /nfs/dbraw/zinc/83/26/27/1199832627.db2.gz MCPFGLJSDLQSOX-IAGOWNOFSA-N 1 3 335.879 2.232 10 30 EEEEHO C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001274106046 1204373047 /nfs/dbraw/zinc/37/30/47/1204373047.db2.gz UWWDWELLIVNJBV-AXMVSILFSA-N 1 3 340.471 2.195 10 30 EEEEHO C[N@H+]1CCC[C@H]1CCC(=O)NC/C=C\CNCc1cccc(C#N)c1 ZINC001274106046 1204373050 /nfs/dbraw/zinc/37/30/50/1204373050.db2.gz UWWDWELLIVNJBV-AXMVSILFSA-N 1 3 340.471 2.195 10 30 EEEEHO CCN(CC)[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)c1ccsc1 ZINC000852858965 1292217843 /nfs/dbraw/zinc/21/78/43/1292217843.db2.gz NITQMPXDPQARBR-KRWDZBQOSA-N 1 3 333.501 2.250 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@H](C)CCC=C)C2)CC1 ZINC001282740975 1325777213 /nfs/dbraw/zinc/77/72/13/1325777213.db2.gz PTCZSLVQBROKFM-SJORKVTESA-N 1 3 331.504 2.123 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCCC(C)C)C2)CC1 ZINC001283112015 1325922573 /nfs/dbraw/zinc/92/25/73/1325922573.db2.gz ZCYGIKRXXSMPTL-UAPYVXQJSA-N 1 3 333.520 2.252 10 30 EEEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001491834644 1330268432 /nfs/dbraw/zinc/26/84/32/1330268432.db2.gz KUFGEQGULBNJJF-QAPCUYQASA-N 1 3 325.472 2.213 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC/C=C\CC)CC1 ZINC001317514108 1332276109 /nfs/dbraw/zinc/27/61/09/1332276109.db2.gz UCMSHMFOBPZYBU-SFFCAUCYSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC/C=C\CC)CC1 ZINC001317514108 1332276112 /nfs/dbraw/zinc/27/61/12/1332276112.db2.gz UCMSHMFOBPZYBU-SFFCAUCYSA-N 1 3 331.504 2.269 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CN(C)C1CCC1 ZINC001320444980 1332884909 /nfs/dbraw/zinc/88/49/09/1332884909.db2.gz DJBCIWBERRMCJE-AWEZNQCLSA-N 1 3 346.450 2.166 10 30 EEEEHO C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCCN1CC ZINC001325707941 1333944693 /nfs/dbraw/zinc/94/46/93/1333944693.db2.gz HMZIAIQRVYOXKD-IBGZPJMESA-N 1 3 327.472 2.112 10 30 EEEEHO CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566905159 1342649717 /nfs/dbraw/zinc/64/97/17/1342649717.db2.gz NQGCXTIFFQKWKT-VQIMIIECSA-N 1 3 337.483 2.050 10 30 EEEEHO C=CCOCC[NH+]1CCC(C)(NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001569578049 1342900729 /nfs/dbraw/zinc/90/07/29/1342900729.db2.gz CVTJRWKCFGIEQH-IAGOWNOFSA-N 1 3 337.508 2.033 10 30 EEEEHO C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCO1 ZINC001570973078 1343144286 /nfs/dbraw/zinc/14/42/86/1343144286.db2.gz KQVGQTXFYXIJRL-IRXDYDNUSA-N 1 3 337.508 2.033 10 30 EEEEHO CC[C@@H](CNC(=O)CCC[NH+](C)C)NCC#Cc1ccc(F)cc1 ZINC001665834259 1355397414 /nfs/dbraw/zinc/39/74/14/1355397414.db2.gz OPXRZBRAQDNCGG-SFHVURJKSA-N 1 3 333.451 2.003 10 30 EEEEHO C#CCC[NH+]1CCC(CCNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001666364063 1355517298 /nfs/dbraw/zinc/51/72/98/1355517298.db2.gz DWCGHJGZOOWIBV-UHFFFAOYSA-N 1 3 333.520 2.493 10 30 EEEEHO C[C@@H](NCC#Cc1ccc(F)cc1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001674720826 1356883259 /nfs/dbraw/zinc/88/32/59/1356883259.db2.gz DCABMVFRCDFYJX-CVEARBPZSA-N 1 3 345.462 2.002 10 30 EEEEHO C[C@H](NCC#Cc1ccc(F)cc1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001674720828 1356883351 /nfs/dbraw/zinc/88/33/51/1356883351.db2.gz DCABMVFRCDFYJX-HOTGVXAUSA-N 1 3 345.462 2.002 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857935 779445769 /nfs/dbraw/zinc/44/57/69/779445769.db2.gz HGNCYDLFPNYMKF-MSOLQXFVSA-N 1 3 333.520 2.347 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857935 779445772 /nfs/dbraw/zinc/44/57/72/779445772.db2.gz HGNCYDLFPNYMKF-MSOLQXFVSA-N 1 3 333.520 2.347 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941139108 779950091 /nfs/dbraw/zinc/95/00/91/779950091.db2.gz QAHXOOXDJKVSHK-SFHVURJKSA-N 1 3 333.520 2.347 10 30 EEEEHO C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCN2CCC)CC1 ZINC001479979825 1099433545 /nfs/dbraw/zinc/43/35/45/1099433545.db2.gz AXZBYIWMGNTYMR-QZTJIDSGSA-N 1 3 349.519 2.034 10 30 EEEEHO C[NH+](C)CCCCC(=O)N1CC[C@H](NCc2ccc(F)c(C#N)c2)C1 ZINC001480120073 1099684893 /nfs/dbraw/zinc/68/48/93/1099684893.db2.gz DEBGAULQJNCRQU-KRWDZBQOSA-N 1 3 346.450 2.120 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001498197207 1107064453 /nfs/dbraw/zinc/06/44/53/1107064453.db2.gz GNDXJWCUFXKXRE-IRXDYDNUSA-N 1 3 327.472 2.187 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]CC=C(Cl)Cl)CC1 ZINC001568714845 1124733225 /nfs/dbraw/zinc/73/32/25/1124733225.db2.gz ZYTIHHXLKVFWCF-ZDUSSCGKSA-N 1 3 346.302 2.135 10 30 EEEEHO COC[C@H]1CCCCN(CC#CC[N@@H+]2CCCC[C@H](COC)C2)C1 ZINC000366959276 466041003 /nfs/dbraw/zinc/04/10/03/466041003.db2.gz DGQLZFSVNOWGHS-PMACEKPBSA-N 1 3 336.520 2.487 10 30 EEEEHO COC[C@H]1CCCCN(CC#CC[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000366959276 466041008 /nfs/dbraw/zinc/04/10/08/466041008.db2.gz DGQLZFSVNOWGHS-PMACEKPBSA-N 1 3 336.520 2.487 10 30 EEEEHO C=CCOc1ccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415123833 467496265 /nfs/dbraw/zinc/49/62/65/467496265.db2.gz JTFNTMUGPKWCAZ-KRWDZBQOSA-N 1 3 327.432 2.139 10 30 EEEEHO C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C(C)C ZINC000669385706 471471949 /nfs/dbraw/zinc/47/19/49/471471949.db2.gz PEJSJRSXALMHOL-AZUAARDMSA-N 1 3 348.535 2.470 10 30 EEEEHO C=CC[C@]1(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662738685 472229348 /nfs/dbraw/zinc/22/93/48/472229348.db2.gz YPVGALISAWRUDG-AZUAARDMSA-N 1 3 327.472 2.466 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H](C)[NH2+]Cc2ccsc2)CC1 ZINC001267155369 1178339902 /nfs/dbraw/zinc/33/99/02/1178339902.db2.gz QUQJVQFZHLJESV-OAHLLOKOSA-N 1 3 333.501 2.078 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001268399094 1182483433 /nfs/dbraw/zinc/48/34/33/1182483433.db2.gz SUTPWKRCQYZUEZ-QFBILLFUSA-N 1 3 347.478 2.248 10 30 EEEEHO CC#CC[NH2+]CC1(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CCCC1 ZINC001481904184 1182917346 /nfs/dbraw/zinc/91/73/46/1182917346.db2.gz NOFGYGWNNJVHKR-LJQANCHMSA-N 1 3 337.483 2.241 10 30 EEEEHO C#CCC[NH2+]C[C@](C)(NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001481941599 1183000403 /nfs/dbraw/zinc/00/04/03/1183000403.db2.gz VBFPICLTNOXGJG-RBUKOAKNSA-N 1 3 337.483 2.097 10 30 EEEEHO C=CCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)CC[C@H]1C(F)(F)F ZINC001284738123 1184752683 /nfs/dbraw/zinc/75/26/83/1184752683.db2.gz SPRYUTNQQQZFSJ-ZIAGYGMSSA-N 1 3 335.414 2.272 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001482649299 1187479861 /nfs/dbraw/zinc/47/98/61/1187479861.db2.gz CEECXKKQAWIXPT-SFHVURJKSA-N 1 3 341.499 2.483 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001482649299 1187479863 /nfs/dbraw/zinc/47/98/63/1187479863.db2.gz CEECXKKQAWIXPT-SFHVURJKSA-N 1 3 341.499 2.483 10 30 EEEEHO C=C(Br)C[NH2+]CC[C@@H]1CCN(C(=O)CN(C)CCC)C1 ZINC001484550104 1191409823 /nfs/dbraw/zinc/40/98/23/1191409823.db2.gz PPFKJLQOOPJZOR-CQSZACIVSA-N 1 3 346.313 2.065 10 30 EEEEHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001485156294 1191668441 /nfs/dbraw/zinc/66/84/41/1191668441.db2.gz GITVHTGCXKKYQF-ZIAGYGMSSA-N 1 3 346.450 2.164 10 30 EEEEHO CCN(CC#Cc1ccccc1)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001490343040 1291158312 /nfs/dbraw/zinc/15/83/12/1291158312.db2.gz MKLRVDXCZZFBPY-UHFFFAOYSA-N 1 3 341.499 2.208 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CC2CCCCC2)C2CC2)CC1 ZINC001490742815 1291657528 /nfs/dbraw/zinc/65/75/28/1291657528.db2.gz UXALNOWAFAGAFV-FQEVSTJZSA-N 1 3 345.531 2.396 10 30 EEEEHO C#CCC1(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCC1 ZINC000886797839 1296742614 /nfs/dbraw/zinc/74/26/14/1296742614.db2.gz CNTNCMJQKYZUKZ-UHFFFAOYSA-N 1 3 331.504 2.245 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001266192544 1323755518 /nfs/dbraw/zinc/75/55/18/1323755518.db2.gz YAXBFSYIIKMXRN-KRWDZBQOSA-N 1 3 333.520 2.396 10 30 EEEEHO C#CCN1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001324869163 1333777347 /nfs/dbraw/zinc/77/73/47/1333777347.db2.gz OFYSXXCEGZTHGP-GOSISDBHSA-N 1 3 331.504 2.245 10 30 EEEEHO C#CCN1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001324869163 1333777348 /nfs/dbraw/zinc/77/73/48/1333777348.db2.gz OFYSXXCEGZTHGP-GOSISDBHSA-N 1 3 331.504 2.245 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001339721441 1337060528 /nfs/dbraw/zinc/06/05/28/1337060528.db2.gz YAOXBBDKJBTNRF-MRXNPFEDSA-N 1 3 346.523 2.194 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001339721441 1337060531 /nfs/dbraw/zinc/06/05/31/1337060531.db2.gz YAOXBBDKJBTNRF-MRXNPFEDSA-N 1 3 346.523 2.194 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001351862216 1337857757 /nfs/dbraw/zinc/85/77/57/1337857757.db2.gz UIUXWIWHSSVQFF-YESZJQIVSA-N 1 3 346.523 2.192 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001351862216 1337857760 /nfs/dbraw/zinc/85/77/60/1337857760.db2.gz UIUXWIWHSSVQFF-YESZJQIVSA-N 1 3 346.523 2.192 10 30 EEEEHO C=CCC[NH2+][C@@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001566724334 1342614907 /nfs/dbraw/zinc/61/49/07/1342614907.db2.gz HBQNGIXQRMGDCT-MAUKXSAKSA-N 1 3 325.472 2.259 10 30 EEEEHO CC#CCN1CCC[C@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001569725550 1342934332 /nfs/dbraw/zinc/93/43/32/1342934332.db2.gz AXSAGADVDQBSHQ-HXUWFJFHSA-N 1 3 333.520 2.494 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cc(C)cc(C)c2)CC1 ZINC001669481891 1356164398 /nfs/dbraw/zinc/16/43/98/1356164398.db2.gz AJOMAAKHTDGNTM-GOSISDBHSA-N 1 3 341.499 2.243 10 30 EEEEHO CC[C@@H](C(=O)N[C@@H](C)CNCC#Cc1ccc(F)cc1)[NH+](CC)CC ZINC001669661303 1356190953 /nfs/dbraw/zinc/19/09/53/1356190953.db2.gz AJGVXCADTDVSEE-LPHOPBHVSA-N 1 3 347.478 2.392 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@@H](C)CCNCc1cc(F)ccc1C#N)[NH+](C)C ZINC001699109342 1405265752 /nfs/dbraw/zinc/26/57/52/1405265752.db2.gz IHWOMDXPOZWRCV-KSSFIOAISA-N 1 3 348.466 2.268 10 30 EEEEHO C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001438663349 1091152372 /nfs/dbraw/zinc/15/23/72/1091152372.db2.gz JLSYZABCNLBFCT-CABCVRRESA-N 1 3 348.516 2.431 10 30 EEEEHO C[C@H](CNCc1ccc(C#N)s1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001438663349 1091152375 /nfs/dbraw/zinc/15/23/75/1091152375.db2.gz JLSYZABCNLBFCT-CABCVRRESA-N 1 3 348.516 2.431 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC(C)C)C2)CC1 ZINC001479915175 1099318472 /nfs/dbraw/zinc/31/84/72/1099318472.db2.gz LGAAXENEZILIFG-LJQANCHMSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC(C)C)C2)CC1 ZINC001479915175 1099318482 /nfs/dbraw/zinc/31/84/82/1099318482.db2.gz LGAAXENEZILIFG-LJQANCHMSA-N 1 3 333.520 2.348 10 30 EEEEHO CC(C)[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001496603452 1101204047 /nfs/dbraw/zinc/20/40/47/1101204047.db2.gz ROVQIEJUELNTTR-VQIMIIECSA-N 1 3 342.487 2.130 10 30 EEEEHO CN(CCCNCc1ccccc1C#N)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001498560384 1107723207 /nfs/dbraw/zinc/72/32/07/1107723207.db2.gz QLBLFMLXWVWJAE-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO CN(CCCNCc1ccccc1C#N)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001498560384 1107723220 /nfs/dbraw/zinc/72/32/20/1107723220.db2.gz QLBLFMLXWVWJAE-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO CC#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001502406771 1113671531 /nfs/dbraw/zinc/67/15/31/1113671531.db2.gz SDYRJVAGMCFMMW-RBUKOAKNSA-N 1 3 333.520 2.445 10 30 EEEEHO C=CCCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@@H]1CCCN1C)CC2 ZINC001506871621 1114942137 /nfs/dbraw/zinc/94/21/37/1114942137.db2.gz AHZVOMJBWNOROJ-ROUUACIJSA-N 1 3 349.519 2.034 10 30 EEEEHO CN(CCC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C ZINC001569229866 1125181148 /nfs/dbraw/zinc/18/11/48/1125181148.db2.gz JZUVQLUAKAFUAN-GOSISDBHSA-N 1 3 347.890 2.224 10 30 EEEEHO CC(C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000356786898 465540578 /nfs/dbraw/zinc/54/05/78/465540578.db2.gz WBAAAZXZQMXEQP-SJLPKXTDSA-N 1 3 341.455 2.191 10 30 EEEEHO CC(C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000356786898 465540582 /nfs/dbraw/zinc/54/05/82/465540582.db2.gz WBAAAZXZQMXEQP-SJLPKXTDSA-N 1 3 341.455 2.191 10 30 EEEEHO CCN1CCN(CCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594920888 468722532 /nfs/dbraw/zinc/72/25/32/468722532.db2.gz BLDNPUFFVGEJHD-UHFFFAOYSA-N 1 3 326.488 2.359 10 30 EEEEHO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCCN(C2CCC2)C1 ZINC000599358552 469224676 /nfs/dbraw/zinc/22/46/76/469224676.db2.gz FBWWKGKVMRLZKM-JENIJYKNSA-N 1 3 349.519 2.300 10 30 EEEEHO C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599358552 469224680 /nfs/dbraw/zinc/22/46/80/469224680.db2.gz FBWWKGKVMRLZKM-JENIJYKNSA-N 1 3 349.519 2.300 10 30 EEEEHO C[C@H](NC[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000599358552 469224685 /nfs/dbraw/zinc/22/46/85/469224685.db2.gz FBWWKGKVMRLZKM-JENIJYKNSA-N 1 3 349.519 2.300 10 30 EEEEHO Cc1c(C#N)cccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596802921 469364175 /nfs/dbraw/zinc/36/41/75/469364175.db2.gz HXVJWUIFFZMVHB-AWEZNQCLSA-N 1 3 331.464 2.260 10 30 EEEEHO Cc1c(C#N)cccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596802921 469364183 /nfs/dbraw/zinc/36/41/83/469364183.db2.gz HXVJWUIFFZMVHB-AWEZNQCLSA-N 1 3 331.464 2.260 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)Cc2ccc(CC)cc2)CC1 ZINC001267233432 1178560669 /nfs/dbraw/zinc/56/06/69/1178560669.db2.gz UKWNGNMUKLMFQZ-UHFFFAOYSA-N 1 3 341.499 2.142 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)Cc2ccc(CC)cc2)CC1 ZINC001267233432 1178560674 /nfs/dbraw/zinc/56/06/74/1178560674.db2.gz UKWNGNMUKLMFQZ-UHFFFAOYSA-N 1 3 341.499 2.142 10 30 EEEEHO CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(CN(C)C)c1 ZINC001268295232 1182185981 /nfs/dbraw/zinc/18/59/81/1182185981.db2.gz QVGJQKCJRQLTAC-OALUTQOASA-N 1 3 327.472 2.260 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)C1(N(C)C)CCC1 ZINC001268369078 1182355294 /nfs/dbraw/zinc/35/52/94/1182355294.db2.gz QTQQNGNFBMQNRP-HNNXBMFYSA-N 1 3 328.460 2.027 10 30 EEEEHO C#CCCN1CC2(C1)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)CC2 ZINC001482243357 1184623534 /nfs/dbraw/zinc/62/35/34/1184623534.db2.gz RSGQWCPONKMGDG-UHFFFAOYSA-N 1 3 345.531 2.446 10 30 EEEEHO C=C(Cl)C[NH2+]CCC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001269908243 1184708883 /nfs/dbraw/zinc/70/88/83/1184708883.db2.gz LROHTSLDLPPHDL-AWEZNQCLSA-N 1 3 327.900 2.299 10 30 EEEEHO CC(C)[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC#Cc1ccccc1 ZINC001482532910 1186536838 /nfs/dbraw/zinc/53/68/38/1186536838.db2.gz IXQUKSARHZYLBC-FQEVSTJZSA-N 1 3 341.499 2.253 10 30 EEEEHO C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CCCCN2C(C)C)C1 ZINC001409265279 1188283330 /nfs/dbraw/zinc/28/33/30/1188283330.db2.gz CSFUMWGSUZFLQC-UYSNPLJNSA-N 1 3 327.900 2.486 10 30 EEEEHO C=CCN1CCc2c(CNC(=O)C[N@H+]3CC[C@H](C)C3)cccc2C1 ZINC001272916545 1193602832 /nfs/dbraw/zinc/60/28/32/1193602832.db2.gz BBSGZOGUQBLVEI-INIZCTEOSA-N 1 3 327.472 2.189 10 30 EEEEHO C=CCN1CCc2c(CNC(=O)C[N@@H+]3CC[C@H](C)C3)cccc2C1 ZINC001272916545 1193602834 /nfs/dbraw/zinc/60/28/34/1193602834.db2.gz BBSGZOGUQBLVEI-INIZCTEOSA-N 1 3 327.472 2.189 10 30 EEEEHO CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001485084677 1191647550 /nfs/dbraw/zinc/64/75/50/1191647550.db2.gz PNJCARDHAUIOIW-LJQANCHMSA-N 1 3 333.520 2.302 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CN(C)CCC)CC2)C1 ZINC001485084677 1191647551 /nfs/dbraw/zinc/64/75/51/1191647551.db2.gz PNJCARDHAUIOIW-LJQANCHMSA-N 1 3 333.520 2.302 10 30 EEEEHO CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001273018728 1194325151 /nfs/dbraw/zinc/32/51/51/1194325151.db2.gz NRGHJBNNUPIDEQ-DYVFJYSZSA-N 1 3 334.439 2.022 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC(=C)C)C2)CC1 ZINC001691681074 1197485970 /nfs/dbraw/zinc/48/59/70/1197485970.db2.gz RHZXBZXVMVLPBX-PKOBYXMFSA-N 1 3 331.504 2.172 10 30 EEEEHO C=C(Cl)CNC[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001411215781 1198924740 /nfs/dbraw/zinc/92/47/40/1198924740.db2.gz WRGCEFPGUZWIQM-CABCVRRESA-N 1 3 327.900 2.201 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876901065 1199813392 /nfs/dbraw/zinc/81/33/92/1199813392.db2.gz XWSFBLHALAMHIP-OIISXLGYSA-N 1 3 335.879 2.483 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876901065 1199813394 /nfs/dbraw/zinc/81/33/94/1199813394.db2.gz XWSFBLHALAMHIP-OIISXLGYSA-N 1 3 335.879 2.483 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC2CCCCC2)CC1 ZINC001276013772 1205637058 /nfs/dbraw/zinc/63/70/58/1205637058.db2.gz ZPKXZABTODKGJN-QGZVFWFLSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC2CCCCC2)CC1 ZINC001276013772 1205637059 /nfs/dbraw/zinc/63/70/59/1205637059.db2.gz ZPKXZABTODKGJN-QGZVFWFLSA-N 1 3 333.520 2.348 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1)N(C)C ZINC001276215420 1205841605 /nfs/dbraw/zinc/84/16/05/1205841605.db2.gz WAGBSBIPUXLLOH-GOSISDBHSA-N 1 3 330.476 2.083 10 30 EEEEHO Cc1c(C[C@H](C[NH3+])CNC2(c3ccc(C#N)cc3)CCC2)cnn1C ZINC000903931854 1242551617 /nfs/dbraw/zinc/55/16/17/1242551617.db2.gz JUGNKLGJOQPTMI-QGZVFWFLSA-N 1 3 337.471 2.387 10 30 EEEEHO C=C(Br)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001672896033 1278406174 /nfs/dbraw/zinc/40/61/74/1278406174.db2.gz AFWYQRZEJKPFNO-ZIAGYGMSSA-N 1 3 346.313 2.063 10 30 EEEEHO C#CCN1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001277294273 1302230892 /nfs/dbraw/zinc/23/08/92/1302230892.db2.gz JNZXNRIZIUNGSY-RTBURBONSA-N 1 3 331.504 2.199 10 30 EEEEHO CC(C)[C@@H](C(=O)N1CCC[C@H]1CNCC#Cc1ccccc1)[NH+](C)C ZINC001277981602 1305561800 /nfs/dbraw/zinc/56/18/00/1305561800.db2.gz NSKXWZRAWPEFAD-PMACEKPBSA-N 1 3 341.499 2.205 10 30 EEEEHO C=CC[NH2+]C[C@H]1CN(C(=O)CN(C)CCC)CC[C@H]1C(F)(F)F ZINC001264594117 1322745037 /nfs/dbraw/zinc/74/50/37/1322745037.db2.gz FFKYTFVYUTZCDU-UONOGXRCSA-N 1 3 335.414 2.131 10 30 EEEEHO C=CC[N@@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001265176495 1322968447 /nfs/dbraw/zinc/96/84/47/1322968447.db2.gz ZKLHGVWWOJCQQW-GOSISDBHSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CC[N@H+](CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001265176495 1322968450 /nfs/dbraw/zinc/96/84/50/1322968450.db2.gz ZKLHGVWWOJCQQW-GOSISDBHSA-N 1 3 325.472 2.356 10 30 EEEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001266235154 1323819857 /nfs/dbraw/zinc/81/98/57/1323819857.db2.gz SAEBQZILFZQAJH-GDBMZVCRSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CN1CCC[C@H]1CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001266235154 1323819864 /nfs/dbraw/zinc/81/98/64/1323819864.db2.gz SAEBQZILFZQAJH-GDBMZVCRSA-N 1 3 327.900 2.442 10 30 EEEEHO CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1C ZINC001279195633 1323848824 /nfs/dbraw/zinc/84/88/24/1323848824.db2.gz ZDHRMHCHBMFAQQ-QFBILLFUSA-N 1 3 327.472 2.069 10 30 EEEEHO C[C@H](NCC#Cc1ccccc1)[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001282220028 1325654983 /nfs/dbraw/zinc/65/49/83/1325654983.db2.gz NPEFUNIQMDUJOT-ROUUACIJSA-N 1 3 329.488 2.253 10 30 EEEEHO C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C(F)(F)F ZINC001284738389 1326690073 /nfs/dbraw/zinc/69/00/73/1326690073.db2.gz YHPSSJPMFXFUGG-ZIAGYGMSSA-N 1 3 344.381 2.287 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001492031331 1330456021 /nfs/dbraw/zinc/45/60/21/1330456021.db2.gz KJRFMHZGQXLNNA-APWZRJJASA-N 1 3 342.487 2.417 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001492031331 1330456023 /nfs/dbraw/zinc/45/60/23/1330456023.db2.gz KJRFMHZGQXLNNA-APWZRJJASA-N 1 3 342.487 2.417 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@@H](CNCC#Cc1ccccc1)C1CC1)[NH+](C)C ZINC001323098429 1333385257 /nfs/dbraw/zinc/38/52/57/1333385257.db2.gz CKYVLMUBUDZVIA-VQTJNVASSA-N 1 3 341.499 2.109 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328098613 1334396087 /nfs/dbraw/zinc/39/60/87/1334396087.db2.gz PDBJRPPIDPQCRW-ROUUACIJSA-N 1 3 333.520 2.347 10 30 EEEEHO C=CCC[NH2+]CC1CC(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001328916193 1334547471 /nfs/dbraw/zinc/54/74/71/1334547471.db2.gz WCAVXGCSDMTWNF-JTTJXQCZSA-N 1 3 325.472 2.259 10 30 EEEEHO C=C(C)CCN1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+](C)C ZINC001502532433 1342204187 /nfs/dbraw/zinc/20/41/87/1342204187.db2.gz QKPZDAZQFRKRBF-LJQANCHMSA-N 1 3 329.488 2.447 10 30 EEEEHO C=C(Cl)CNCCC[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001675919317 1357069893 /nfs/dbraw/zinc/06/98/93/1357069893.db2.gz GKWZEPCRTBYUSB-OAHLLOKOSA-N 1 3 327.900 2.489 10 30 EEEEHO CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)[C@H](C)C1 ZINC001569528760 1342893131 /nfs/dbraw/zinc/89/31/31/1342893131.db2.gz YHPQVXIFQDKJBF-VQIMIIECSA-N 1 3 327.472 2.354 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001663461117 1354965122 /nfs/dbraw/zinc/96/51/22/1354965122.db2.gz HRZAOOKRDRCUML-RLLQIKCJSA-N 1 3 345.531 2.206 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001663461117 1354965123 /nfs/dbraw/zinc/96/51/23/1354965123.db2.gz HRZAOOKRDRCUML-RLLQIKCJSA-N 1 3 345.531 2.206 10 30 EEEEHO C=C(Cl)CNCC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001668267778 1355912013 /nfs/dbraw/zinc/91/20/13/1355912013.db2.gz MMRSRKQEILPAHH-CQSZACIVSA-N 1 3 327.900 2.345 10 30 EEEEHO C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCCCCC)C[C@H]2C1 ZINC001675643603 1357027830 /nfs/dbraw/zinc/02/78/30/1357027830.db2.gz UMOLHYOAKYLTIH-GBESFXJTSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CN(C)CCCCCC)C[C@H]2C1 ZINC001675643603 1357027833 /nfs/dbraw/zinc/02/78/33/1357027833.db2.gz UMOLHYOAKYLTIH-GBESFXJTSA-N 1 3 333.520 2.348 10 30 EEEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1cn(C)c2cc(C)ccc12 ZINC000187144703 789400840 /nfs/dbraw/zinc/40/08/40/789400840.db2.gz CIKSDQAXINZMDC-QGZVFWFLSA-N 1 3 341.503 2.418 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001439113776 1091759471 /nfs/dbraw/zinc/75/94/71/1091759471.db2.gz ACQYPQNKEUVWPZ-CZUORRHYSA-N 1 3 334.489 2.088 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccc(C#N)s1 ZINC001439113776 1091759478 /nfs/dbraw/zinc/75/94/78/1091759478.db2.gz ACQYPQNKEUVWPZ-CZUORRHYSA-N 1 3 334.489 2.088 10 30 EEEEHO C#CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C1CCC1 ZINC001479615923 1098639553 /nfs/dbraw/zinc/63/95/53/1098639553.db2.gz YXGHFUPOYFWZSK-NZSAHSFTSA-N 1 3 331.504 2.099 10 30 EEEEHO C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CN(C)C1CCC1 ZINC001479615923 1098639558 /nfs/dbraw/zinc/63/95/58/1098639558.db2.gz YXGHFUPOYFWZSK-NZSAHSFTSA-N 1 3 331.504 2.099 10 30 EEEEHO C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCN2CCC)CC1 ZINC001479979827 1099433633 /nfs/dbraw/zinc/43/36/33/1099433633.db2.gz AXZBYIWMGNTYMR-ZWKOTPCHSA-N 1 3 349.519 2.034 10 30 EEEEHO C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001480187503 1099782143 /nfs/dbraw/zinc/78/21/43/1099782143.db2.gz CURMBPIXQOIKIL-OALUTQOASA-N 1 3 333.520 2.445 10 30 EEEEHO C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CN(C)CCCCCC)C1 ZINC001480187503 1099782148 /nfs/dbraw/zinc/78/21/48/1099782148.db2.gz CURMBPIXQOIKIL-OALUTQOASA-N 1 3 333.520 2.445 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001480472057 1100279594 /nfs/dbraw/zinc/27/95/94/1100279594.db2.gz MRKQNJQTIJIIML-APWZRJJASA-N 1 3 345.462 2.146 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001480472057 1100279603 /nfs/dbraw/zinc/27/96/03/1100279603.db2.gz MRKQNJQTIJIIML-APWZRJJASA-N 1 3 345.462 2.146 10 30 EEEEHO C[NH+](C)CCCC(=O)N[C@@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001495280520 1100978747 /nfs/dbraw/zinc/97/87/47/1100978747.db2.gz PHOALHDXCIXRHG-NRFANRHFSA-N 1 3 341.499 2.254 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001448031950 1103841040 /nfs/dbraw/zinc/84/10/40/1103841040.db2.gz FMYYVQOQAZDGED-VQIMIIECSA-N 1 3 342.487 2.369 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001448031950 1103841050 /nfs/dbraw/zinc/84/10/50/1103841050.db2.gz FMYYVQOQAZDGED-VQIMIIECSA-N 1 3 342.487 2.369 10 30 EEEEHO C[C@@H]1[C@@H](NCc2ccc(C#N)c(F)c2)CCN1C(=O)CCC[NH+](C)C ZINC001507291377 1115176961 /nfs/dbraw/zinc/17/69/61/1115176961.db2.gz VLNXLIRWCJFCKL-KDOFPFPSSA-N 1 3 346.450 2.118 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCC=C)CC1 ZINC001569176201 1125146501 /nfs/dbraw/zinc/14/65/01/1125146501.db2.gz ZHVDEVWQNALRJL-MOPGFXCFSA-N 1 3 331.504 2.172 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000129110018 462689543 /nfs/dbraw/zinc/68/95/43/462689543.db2.gz YFFYZKGRPRTADA-AEFFLSMTSA-N 1 3 336.524 2.399 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000129110018 462689549 /nfs/dbraw/zinc/68/95/49/462689549.db2.gz YFFYZKGRPRTADA-AEFFLSMTSA-N 1 3 336.524 2.399 10 30 EEEEHO CCC[C@]1(CO)CCCN1CC#CC[N@@H+]1CCC[C@@]1(CO)CCC ZINC000515470376 467993981 /nfs/dbraw/zinc/99/39/81/467993981.db2.gz SMNCNQWTMLCCMX-WOJBJXKFSA-N 1 3 336.520 2.244 10 30 EEEEHO CCC[C@]1(CO)CCCN1CC#CC[N@H+]1CCC[C@@]1(CO)CCC ZINC000515470376 467993983 /nfs/dbraw/zinc/99/39/83/467993983.db2.gz SMNCNQWTMLCCMX-WOJBJXKFSA-N 1 3 336.520 2.244 10 30 EEEEHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCCCC#N ZINC000594436342 468585346 /nfs/dbraw/zinc/58/53/46/468585346.db2.gz DFMZMPSYQAEVCQ-MOPGFXCFSA-N 1 3 342.487 2.378 10 30 EEEEHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CCCCC#N ZINC000594436342 468585352 /nfs/dbraw/zinc/58/53/52/468585352.db2.gz DFMZMPSYQAEVCQ-MOPGFXCFSA-N 1 3 342.487 2.378 10 30 EEEEHO CC[NH+]1CCC(N2CCC(C(=O)N(C)[C@H]3CCC[C@@H]3C#N)CC2)CC1 ZINC000601817069 469038779 /nfs/dbraw/zinc/03/87/79/469038779.db2.gz LPCQKKSUZRYGKZ-MJGOQNOKSA-N 1 3 346.519 2.333 10 30 EEEEHO C#CCN1CCC2(C[C@@H]2NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001266374489 1176443172 /nfs/dbraw/zinc/44/31/72/1176443172.db2.gz ZRYQYPSQBSWOLJ-KRWDZBQOSA-N 1 3 331.504 2.102 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001267092647 1178222741 /nfs/dbraw/zinc/22/27/41/1178222741.db2.gz DTIUOZJXCJMHAQ-WOJBJXKFSA-N 1 3 341.499 2.395 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)Cc2cc(C)cc(C)c2)CC1 ZINC001267233404 1178560083 /nfs/dbraw/zinc/56/00/83/1178560083.db2.gz SZFRFZCOWMWCNR-UHFFFAOYSA-N 1 3 341.499 2.197 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)Cc2cc(C)cc(C)c2)CC1 ZINC001267233404 1178560087 /nfs/dbraw/zinc/56/00/87/1178560087.db2.gz SZFRFZCOWMWCNR-UHFFFAOYSA-N 1 3 341.499 2.197 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccc(C#N)s1 ZINC001268549592 1183232167 /nfs/dbraw/zinc/23/21/67/1183232167.db2.gz QSBFCKHUDSQNLP-CWIOURORSA-N 1 3 346.500 2.256 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccc(C#N)s1 ZINC001268549592 1183232169 /nfs/dbraw/zinc/23/21/69/1183232169.db2.gz QSBFCKHUDSQNLP-CWIOURORSA-N 1 3 346.500 2.256 10 30 EEEEHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC#Cc1ccccc1Cl ZINC001269510928 1184332768 /nfs/dbraw/zinc/33/27/68/1184332768.db2.gz SYYKWDMTQIOORF-DLBZAZTESA-N 1 3 347.890 2.128 10 30 EEEEHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC#Cc1ccccc1Cl ZINC001269510928 1184332775 /nfs/dbraw/zinc/33/27/75/1184332775.db2.gz SYYKWDMTQIOORF-DLBZAZTESA-N 1 3 347.890 2.128 10 30 EEEEHO C#CC[NH2+]CCC1CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001269943070 1184732076 /nfs/dbraw/zinc/73/20/76/1184732076.db2.gz HRGPNHPOIBOSQL-UHFFFAOYSA-N 1 3 327.472 2.213 10 30 EEEEHO CC#CCNC[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001485836512 1193596213 /nfs/dbraw/zinc/59/62/13/1193596213.db2.gz CIKHJBBFRKPKGN-OALUTQOASA-N 1 3 333.520 2.347 10 30 EEEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1-n1ccc(C)n1 ZINC000128773249 1201629049 /nfs/dbraw/zinc/62/90/49/1201629049.db2.gz OBHRASORKNQGPJ-QGZVFWFLSA-N 1 3 340.475 2.069 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001274023334 1204329169 /nfs/dbraw/zinc/32/91/69/1204329169.db2.gz CJFQQMLQOSNLMK-LLHWWHOWSA-N 1 3 340.471 2.193 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\CNCc1ccc(C#N)cc1 ZINC001274023334 1204329170 /nfs/dbraw/zinc/32/91/70/1204329170.db2.gz CJFQQMLQOSNLMK-LLHWWHOWSA-N 1 3 340.471 2.193 10 30 EEEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1c[nH]c2cccc(C)c12 ZINC000303971858 1213934024 /nfs/dbraw/zinc/93/40/24/1213934024.db2.gz FFINMEQGPKXEAD-MRXNPFEDSA-N 1 3 327.476 2.407 10 30 EEEEHO C=CCOCCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001276388530 1297158622 /nfs/dbraw/zinc/15/86/22/1297158622.db2.gz ISANWCWYPUNTQU-LPHOPBHVSA-N 1 3 349.519 2.033 10 30 EEEEHO C=CCOCCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001276388530 1297158630 /nfs/dbraw/zinc/15/86/30/1297158630.db2.gz ISANWCWYPUNTQU-LPHOPBHVSA-N 1 3 349.519 2.033 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001277473680 1303560817 /nfs/dbraw/zinc/56/08/17/1303560817.db2.gz HUHXARNXUQMFCN-FQEVSTJZSA-N 1 3 333.520 2.302 10 30 EEEEHO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CN(C)CC(C)(C)C)C2)C1 ZINC001277473680 1303560823 /nfs/dbraw/zinc/56/08/23/1303560823.db2.gz HUHXARNXUQMFCN-FQEVSTJZSA-N 1 3 333.520 2.302 10 30 EEEEHO C=C(C)C[NH+]1CCC2(CO[C@@H](CNC(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001278101936 1305947586 /nfs/dbraw/zinc/94/75/86/1305947586.db2.gz LLJHRLCSVLNCGK-QGZVFWFLSA-N 1 3 349.519 2.034 10 30 EEEEHO C=CCC[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1C(F)(F)F ZINC001278702628 1317793574 /nfs/dbraw/zinc/79/35/74/1317793574.db2.gz AUESPYUASVJFAO-KGLIPLIRSA-N 1 3 335.414 2.131 10 30 EEEEHO CC#CCN1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001264648937 1322765718 /nfs/dbraw/zinc/76/57/18/1322765718.db2.gz JHEYHBMWCSOFST-MOPGFXCFSA-N 1 3 345.531 2.445 10 30 EEEEHO CC#CCN1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)C[C@@H]2C1 ZINC001264648937 1322765721 /nfs/dbraw/zinc/76/57/21/1322765721.db2.gz JHEYHBMWCSOFST-MOPGFXCFSA-N 1 3 345.531 2.445 10 30 EEEEHO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265303790 1323055450 /nfs/dbraw/zinc/05/54/50/1323055450.db2.gz PCNXOPWKQDXPHP-QAPCUYQASA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265303790 1323055456 /nfs/dbraw/zinc/05/54/56/1323055456.db2.gz PCNXOPWKQDXPHP-QAPCUYQASA-N 1 3 325.472 2.356 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]CCCC2CCCC2)CC1 ZINC001265869805 1323443653 /nfs/dbraw/zinc/44/36/53/1323443653.db2.gz CFZACOUNOVNMSV-KRWDZBQOSA-N 1 3 333.520 2.396 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C[C@H](C)CC(C)C)CC1 ZINC001318228821 1332493186 /nfs/dbraw/zinc/49/31/86/1332493186.db2.gz SNYZMPIGXXDMSO-HOJAQTOUSA-N 1 3 345.531 2.299 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H](C)CC(C)C)CC1 ZINC001318228821 1332493188 /nfs/dbraw/zinc/49/31/88/1332493188.db2.gz SNYZMPIGXXDMSO-HOJAQTOUSA-N 1 3 345.531 2.299 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001319285044 1332675562 /nfs/dbraw/zinc/67/55/62/1332675562.db2.gz JHUASRGGUNLPBF-KRWDZBQOSA-N 1 3 345.531 2.254 10 30 EEEEHO N#Cc1cccc(CNC/C=C/CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001321416920 1333098418 /nfs/dbraw/zinc/09/84/18/1333098418.db2.gz MDDPMNCUDMPCPE-NSCUHMNNSA-N 1 3 340.471 2.196 10 30 EEEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001326470222 1334099656 /nfs/dbraw/zinc/09/96/56/1334099656.db2.gz ZAUUISKNUNEAED-LPHOPBHVSA-N 1 3 327.472 2.459 10 30 EEEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001326470222 1334099659 /nfs/dbraw/zinc/09/96/59/1334099659.db2.gz ZAUUISKNUNEAED-LPHOPBHVSA-N 1 3 327.472 2.459 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)N2CCC(C(C)(C)C[NH3+])CC2)CC1 ZINC001338518861 1336871841 /nfs/dbraw/zinc/87/18/41/1336871841.db2.gz DQUSZZGNFRNAMO-UHFFFAOYSA-N 1 3 336.524 2.433 10 30 EEEEHO C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567198449 1342710059 /nfs/dbraw/zinc/71/00/59/1342710059.db2.gz IKNKRFYXBQIUOP-QFBILLFUSA-N 1 3 337.483 2.145 10 30 EEEEHO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001567198449 1342710062 /nfs/dbraw/zinc/71/00/62/1342710062.db2.gz IKNKRFYXBQIUOP-QFBILLFUSA-N 1 3 337.483 2.145 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001664241850 1355120477 /nfs/dbraw/zinc/12/04/77/1355120477.db2.gz XCDPWRDIGAXHBV-PBHICJAKSA-N 1 3 346.500 2.185 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001664241850 1355120479 /nfs/dbraw/zinc/12/04/79/1355120479.db2.gz XCDPWRDIGAXHBV-PBHICJAKSA-N 1 3 346.500 2.185 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001672392020 1356513614 /nfs/dbraw/zinc/51/36/14/1356513614.db2.gz HAPGMEVRFUPUEH-PMACEKPBSA-N 1 3 339.483 2.255 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001672392020 1356513618 /nfs/dbraw/zinc/51/36/18/1356513618.db2.gz HAPGMEVRFUPUEH-PMACEKPBSA-N 1 3 339.483 2.255 10 30 EEEEHO C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444619751 1099445591 /nfs/dbraw/zinc/44/55/91/1099445591.db2.gz BNSJCZHWTZVMDV-CQSZACIVSA-N 1 3 346.450 2.118 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496146542 1102134291 /nfs/dbraw/zinc/13/42/91/1102134291.db2.gz YFAGVMTWHSBUSR-NSHGMRRFSA-N 1 3 341.499 2.205 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001496146542 1102134297 /nfs/dbraw/zinc/13/42/97/1102134297.db2.gz YFAGVMTWHSBUSR-NSHGMRRFSA-N 1 3 341.499 2.205 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001497334034 1102341815 /nfs/dbraw/zinc/34/18/15/1102341815.db2.gz WIIVAIDWJVUKBV-AWEZNQCLSA-N 1 3 334.439 2.022 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@H](C)CNCC#Cc1ccccc1Cl)[NH+](C)C ZINC001497968786 1103434382 /nfs/dbraw/zinc/43/43/82/1103434382.db2.gz JMHAODBIEVCJAR-CRAIPNDOSA-N 1 3 349.906 2.372 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001448031918 1103840706 /nfs/dbraw/zinc/84/07/06/1103840706.db2.gz FMYYVQOQAZDGED-APWZRJJASA-N 1 3 342.487 2.369 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC001448031918 1103840715 /nfs/dbraw/zinc/84/07/15/1103840715.db2.gz FMYYVQOQAZDGED-APWZRJJASA-N 1 3 342.487 2.369 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC(=C)C)C2)CC1 ZINC001480711709 1106935906 /nfs/dbraw/zinc/93/59/06/1106935906.db2.gz ZUKYYNWFWWERHI-MOPGFXCFSA-N 1 3 331.504 2.315 10 30 EEEEHO CC(C)(C(=O)NCC1(NCc2cccc(C#N)c2)CC1)[NH+]1CCCC1 ZINC001499311330 1112229066 /nfs/dbraw/zinc/22/90/66/1112229066.db2.gz BGSYUBXDKLVLMV-UHFFFAOYSA-N 1 3 340.471 2.171 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@H](CNCC#Cc1ccccc1)C1CCCC1 ZINC001500106577 1112619816 /nfs/dbraw/zinc/61/98/16/1112619816.db2.gz HQBCUTIEOSWBPG-HXUWFJFHSA-N 1 3 341.499 2.254 10 30 EEEEHO CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001507027748 1115065544 /nfs/dbraw/zinc/06/55/44/1115065544.db2.gz LFCJLYSBWNXAOF-VQIMIIECSA-N 1 3 337.483 2.049 10 30 EEEEHO CC#CCNCc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001568120252 1124314120 /nfs/dbraw/zinc/31/41/20/1124314120.db2.gz QANPSMNWWHKIMJ-UHFFFAOYSA-N 1 3 327.472 2.290 10 30 EEEEHO CN1CCC(CNC(=[NH2+])NC2CCCCC2)(N2CCCCC2)CC1 ZINC000262508120 464031439 /nfs/dbraw/zinc/03/14/39/464031439.db2.gz BWPBSTOBECUEDI-UHFFFAOYSA-N 1 3 335.540 2.174 10 30 EEEEHO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000599358554 469225395 /nfs/dbraw/zinc/22/53/95/469225395.db2.gz FBWWKGKVMRLZKM-SCTDSRPQSA-N 1 3 349.519 2.300 10 30 EEEEHO C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000599358554 469225401 /nfs/dbraw/zinc/22/54/01/469225401.db2.gz FBWWKGKVMRLZKM-SCTDSRPQSA-N 1 3 349.519 2.300 10 30 EEEEHO C[C@H](NC[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000599358554 469225404 /nfs/dbraw/zinc/22/54/04/469225404.db2.gz FBWWKGKVMRLZKM-SCTDSRPQSA-N 1 3 349.519 2.300 10 30 EEEEHO C=CC[C@]1(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000662794804 472254834 /nfs/dbraw/zinc/25/48/34/472254834.db2.gz UBUNEKXWQDHVNN-YVWKXTFCSA-N 1 3 327.472 2.321 10 30 EEEEHO C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261953669 682622932 /nfs/dbraw/zinc/62/29/32/682622932.db2.gz IDWNSMORKDEDNO-ZIAGYGMSSA-N 1 3 335.496 2.366 10 30 EEEEHO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261957296 682636225 /nfs/dbraw/zinc/63/62/25/682636225.db2.gz JEDLSNWHZUIXMG-FIDHJVLJSA-N 1 3 336.524 2.084 10 30 EEEEHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266855997 1177582074 /nfs/dbraw/zinc/58/20/74/1177582074.db2.gz IUMABILXJORZTP-QFBILLFUSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCCN1CCCC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266855997 1177582078 /nfs/dbraw/zinc/58/20/78/1177582078.db2.gz IUMABILXJORZTP-QFBILLFUSA-N 1 3 337.483 2.193 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266949442 1177874173 /nfs/dbraw/zinc/87/41/73/1177874173.db2.gz OTFVNEZNGOKBTF-QUCCMNQESA-N 1 3 341.499 2.253 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266949442 1177874181 /nfs/dbraw/zinc/87/41/81/1177874181.db2.gz OTFVNEZNGOKBTF-QUCCMNQESA-N 1 3 341.499 2.253 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268646022 1183575871 /nfs/dbraw/zinc/57/58/71/1183575871.db2.gz MZVZEMHZBFXFAI-VQIMIIECSA-N 1 3 345.462 2.144 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC#Cc1ccc(F)cc1 ZINC001268646022 1183575874 /nfs/dbraw/zinc/57/58/74/1183575874.db2.gz MZVZEMHZBFXFAI-VQIMIIECSA-N 1 3 345.462 2.144 10 30 EEEEHO CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCC#Cc1ccc(F)cc1 ZINC001269498110 1184320823 /nfs/dbraw/zinc/32/08/23/1184320823.db2.gz NYGDJZQPTIMZMJ-RBUKOAKNSA-N 1 3 347.478 2.248 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001482367422 1185525943 /nfs/dbraw/zinc/52/59/43/1185525943.db2.gz GWVULUIJTDVZQL-LJQANCHMSA-N 1 3 341.499 2.351 10 30 EEEEHO C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001272763855 1193485571 /nfs/dbraw/zinc/48/55/71/1193485571.db2.gz XAFIUNGCVRLWRH-GPMSIDNRSA-N 1 3 337.483 2.097 10 30 EEEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC2CCCC2)CC1 ZINC001483987507 1191143636 /nfs/dbraw/zinc/14/36/36/1191143636.db2.gz SICRKGMFNYZNJN-UHFFFAOYSA-N 1 3 328.460 2.069 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000876757857 1199760177 /nfs/dbraw/zinc/76/01/77/1199760177.db2.gz IBHBNSVFYAWMGW-OAHLLOKOSA-N 1 3 325.840 2.426 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CC2CCC2)CC1 ZINC001037123392 1213912907 /nfs/dbraw/zinc/91/29/07/1213912907.db2.gz UUGSIURQFHXYKA-RBUKOAKNSA-N 1 3 331.504 2.006 10 30 EEEEHO C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)CCO1 ZINC001276821262 1298785047 /nfs/dbraw/zinc/78/50/47/1298785047.db2.gz SGLKTQKEALLJME-APWZRJJASA-N 1 3 345.487 2.143 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCC#Cc1ccc(Cl)cc1 ZINC001277932545 1305159374 /nfs/dbraw/zinc/15/93/74/1305159374.db2.gz ILHIFJSDSWLYOE-GOSISDBHSA-N 1 3 347.890 2.224 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+][C@H](C)CCC=C)C2)CC1 ZINC001263880570 1322546186 /nfs/dbraw/zinc/54/61/86/1322546186.db2.gz SKGVRTVZPMXUNU-ZHALLVOQSA-N 1 3 331.504 2.171 10 30 EEEEHO C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001265396277 1323127116 /nfs/dbraw/zinc/12/71/16/1323127116.db2.gz AEGLTLJRHDTAFW-OALUTQOASA-N 1 3 333.520 2.443 10 30 EEEEHO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001265396277 1323127120 /nfs/dbraw/zinc/12/71/20/1323127120.db2.gz AEGLTLJRHDTAFW-OALUTQOASA-N 1 3 333.520 2.443 10 30 EEEEHO C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001491834642 1330268573 /nfs/dbraw/zinc/26/85/73/1330268573.db2.gz KUFGEQGULBNJJF-CRAIPNDOSA-N 1 3 325.472 2.213 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001322090115 1333207281 /nfs/dbraw/zinc/20/72/81/1333207281.db2.gz ZLNRFZLZONYJGX-INIZCTEOSA-N 1 3 331.504 2.006 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCCC(C)C)C2)CC1 ZINC001324673668 1333736994 /nfs/dbraw/zinc/73/69/94/1333736994.db2.gz NBDVAOBZJMGXJL-FQEVSTJZSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCCC(C)C)C2)CC1 ZINC001324673668 1333736999 /nfs/dbraw/zinc/73/69/99/1333736999.db2.gz NBDVAOBZJMGXJL-FQEVSTJZSA-N 1 3 333.520 2.348 10 30 EEEEHO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C(F)(F)F ZINC001332458536 1335828512 /nfs/dbraw/zinc/82/85/12/1335828512.db2.gz HWSAISIGOAPRMZ-DZGCQCFKSA-N 1 3 347.425 2.273 10 30 EEEEHO C=CCN(C)CCN(CC)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001618813025 1352353730 /nfs/dbraw/zinc/35/37/30/1352353730.db2.gz BULCPZNZVIJYBS-KRWDZBQOSA-N 1 3 339.549 2.170 10 30 EEEEHO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566877893 1342646128 /nfs/dbraw/zinc/64/61/28/1342646128.db2.gz ILAITIKKSKBELH-CRAIPNDOSA-N 1 3 325.472 2.213 10 30 EEEEHO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566877893 1342646131 /nfs/dbraw/zinc/64/61/31/1342646131.db2.gz ILAITIKKSKBELH-CRAIPNDOSA-N 1 3 325.472 2.213 10 30 EEEEHO C=C(C[NH+](C)C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC001628650079 1352539765 /nfs/dbraw/zinc/53/97/65/1352539765.db2.gz AMBZNGAZCKTGOH-UHFFFAOYSA-N 1 3 330.476 2.193 10 30 EEEEHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001656136995 1354207030 /nfs/dbraw/zinc/20/70/30/1354207030.db2.gz GKCBUKDVALCBCH-KDURUIRLSA-N 1 3 339.483 2.007 10 30 EEEEHO CC[N@@H+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@@H]1CCCN1C ZINC001660502736 1354476205 /nfs/dbraw/zinc/47/62/05/1354476205.db2.gz XQIXYZMZXUEGTB-IBGZPJMESA-N 1 3 345.462 2.100 10 30 EEEEHO CC[N@H+](CC#Cc1ccc(F)cc1)CCCNC(=O)[C@@H]1CCCN1C ZINC001660502736 1354476208 /nfs/dbraw/zinc/47/62/08/1354476208.db2.gz XQIXYZMZXUEGTB-IBGZPJMESA-N 1 3 345.462 2.100 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)CC2(C)C)CC1 ZINC000941238528 780226276 /nfs/dbraw/zinc/22/62/76/780226276.db2.gz YOIVNPFFSBJYJG-IBGZPJMESA-N 1 3 345.531 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCC3CC3)CC2(C)C)CC1 ZINC000941238528 780226282 /nfs/dbraw/zinc/22/62/82/780226282.db2.gz YOIVNPFFSBJYJG-IBGZPJMESA-N 1 3 345.531 2.348 10 30 EEEEHO CCN(CC#Cc1ccccc1)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001479847124 1099140939 /nfs/dbraw/zinc/14/09/39/1099140939.db2.gz XGYOGMQIVQGVHZ-FQEVSTJZSA-N 1 3 343.515 2.453 10 30 EEEEHO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001480085532 1099638604 /nfs/dbraw/zinc/63/86/04/1099638604.db2.gz QPZWCKJBNCSLCT-MOPGFXCFSA-N 1 3 333.520 2.443 10 30 EEEEHO CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001480085532 1099638608 /nfs/dbraw/zinc/63/86/08/1099638608.db2.gz QPZWCKJBNCSLCT-MOPGFXCFSA-N 1 3 333.520 2.443 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1)N(C)C ZINC001480209385 1099818249 /nfs/dbraw/zinc/81/82/49/1099818249.db2.gz UEKXUJDPSDIHOF-OTWHNJEPSA-N 1 3 345.462 2.000 10 30 EEEEHO C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001498368696 1107402246 /nfs/dbraw/zinc/40/22/46/1107402246.db2.gz WCCXVNUDBQWEGC-BXWFABGCSA-N 1 3 342.487 2.225 10 30 EEEEHO C[C@@H](CN(C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001498368696 1107402249 /nfs/dbraw/zinc/40/22/49/1107402249.db2.gz WCCXVNUDBQWEGC-BXWFABGCSA-N 1 3 342.487 2.225 10 30 EEEEHO COC[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452110456 467325778 /nfs/dbraw/zinc/32/57/78/467325778.db2.gz ZDGHQABPVXFFAR-WOJBJXKFSA-N 1 3 336.520 2.487 10 30 EEEEHO COC[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452110456 467325781 /nfs/dbraw/zinc/32/57/81/467325781.db2.gz ZDGHQABPVXFFAR-WOJBJXKFSA-N 1 3 336.520 2.487 10 30 EEEEHO Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000596708894 469340563 /nfs/dbraw/zinc/34/05/63/469340563.db2.gz PXHNERPKICZMJS-HNNXBMFYSA-N 1 3 331.464 2.260 10 30 EEEEHO Cc1ccc(C#N)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000596708894 469340567 /nfs/dbraw/zinc/34/05/67/469340567.db2.gz PXHNERPKICZMJS-HNNXBMFYSA-N 1 3 331.464 2.260 10 30 EEEEHO CC[NH+]=C(NC[C@H]1CCCN1CC(C)C)N1CC[C@@]2(CCOC2)C1 ZINC000158084824 678175688 /nfs/dbraw/zinc/17/56/88/678175688.db2.gz LHPGEKQSGMMPGW-IEBWSBKVSA-N 1 3 336.524 2.185 10 30 EEEEHO C#CC[NH2+]CCC[C@@H](NC(=O)CN1CC[C@H](C)C1)c1ccccc1 ZINC001485780019 1191948718 /nfs/dbraw/zinc/94/87/18/1191948718.db2.gz PYKLSVJTIZKGDU-PKOBYXMFSA-N 1 3 327.472 2.189 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@@H](C)CNCC#Cc1ccccc1)[NH+]1CCCC1 ZINC001268716494 1183636293 /nfs/dbraw/zinc/63/62/93/1183636293.db2.gz FDDXAJIDJARSCH-AZUAARDMSA-N 1 3 341.499 2.253 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001268920233 1183817176 /nfs/dbraw/zinc/81/71/76/1183817176.db2.gz LLJOPOBOJXUPGS-GOSISDBHSA-N 1 3 348.466 2.222 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC3CCCCC3)CC2)CC1 ZINC001269544311 1184368360 /nfs/dbraw/zinc/36/83/60/1184368360.db2.gz APGAHJVPHFGJCX-UHFFFAOYSA-N 1 3 331.504 2.150 10 30 EEEEHO C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC001270042491 1184808179 /nfs/dbraw/zinc/80/81/79/1184808179.db2.gz QFGSIRNHCWJICF-BRSBDYLESA-N 1 3 337.508 2.079 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C[C@@H]1C ZINC001483914821 1191114732 /nfs/dbraw/zinc/11/47/32/1191114732.db2.gz RMTCKNHEJVQHDS-LPHOPBHVSA-N 1 3 342.487 2.368 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001484519822 1191394200 /nfs/dbraw/zinc/39/42/00/1191394200.db2.gz BFZPBIRVWOKMQW-JKSUJKDBSA-N 1 3 327.900 2.440 10 30 EEEEHO C=C(Cl)CNCC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484519822 1191394202 /nfs/dbraw/zinc/39/42/02/1191394202.db2.gz BFZPBIRVWOKMQW-JKSUJKDBSA-N 1 3 327.900 2.440 10 30 EEEEHO C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCCN2C(C)C)CCOCC1 ZINC001484862818 1191554595 /nfs/dbraw/zinc/55/45/95/1191554595.db2.gz RNQXIIKLVIIEFK-KRWDZBQOSA-N 1 3 337.508 2.080 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876762246 1199761182 /nfs/dbraw/zinc/76/11/82/1199761182.db2.gz CXZFFRWSPSSOOV-DLBZAZTESA-N 1 3 335.879 2.437 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876762246 1199761186 /nfs/dbraw/zinc/76/11/86/1199761186.db2.gz CXZFFRWSPSSOOV-DLBZAZTESA-N 1 3 335.879 2.437 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000876768194 1199765901 /nfs/dbraw/zinc/76/59/01/1199765901.db2.gz SLXAIROEAIZKCE-ZDUSSCGKSA-N 1 3 325.840 2.344 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877225123 1199883790 /nfs/dbraw/zinc/88/37/90/1199883790.db2.gz RZHMXMUWYJJIMU-MRXNPFEDSA-N 1 3 335.879 2.236 10 30 EEEEHO C[C@@H](CCC[NH2+]Cc1cccc(C#N)c1)NC(=O)CN1CC[C@@H](C)C1 ZINC001277299339 1302259646 /nfs/dbraw/zinc/25/96/46/1302259646.db2.gz QIHGMOWZKQTIFK-SJORKVTESA-N 1 3 342.487 2.275 10 30 EEEEHO C#CCC[NH+]1CCC2(CCN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001277496084 1303680066 /nfs/dbraw/zinc/68/00/66/1303680066.db2.gz MJGIEKRMALVXKW-UHFFFAOYSA-N 1 3 333.520 2.302 10 30 EEEEHO CN(CC(=O)NC1CC(C[NH2+]CC#Cc2ccccc2)C1)C1CCC1 ZINC001282014907 1325571026 /nfs/dbraw/zinc/57/10/26/1325571026.db2.gz ORGAUJLOJHAAQD-UHFFFAOYSA-N 1 3 339.483 2.007 10 30 EEEEHO C#CC[NH2+][C@H](CCN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001282567151 1325742060 /nfs/dbraw/zinc/74/20/60/1325742060.db2.gz GYBNHISTUUTLOE-APWZRJJASA-N 1 3 339.499 2.295 10 30 EEEEHO CC#CC[N@@H+]1C[C@@H](NC(=O)CN(C)CCc2ccccc2)C(C)(C)C1 ZINC001282819761 1325796959 /nfs/dbraw/zinc/79/69/59/1325796959.db2.gz GHQVQJVBPFLKJG-LJQANCHMSA-N 1 3 341.499 2.011 10 30 EEEEHO CC#CC[N@H+]1C[C@@H](NC(=O)CN(C)CCc2ccccc2)C(C)(C)C1 ZINC001282819761 1325796963 /nfs/dbraw/zinc/79/69/63/1325796963.db2.gz GHQVQJVBPFLKJG-LJQANCHMSA-N 1 3 341.499 2.011 10 30 EEEEHO C=CCCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001283002004 1325876177 /nfs/dbraw/zinc/87/61/77/1325876177.db2.gz AHZVOMJBWNOROJ-ZWKOTPCHSA-N 1 3 349.519 2.034 10 30 EEEEHO C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCCN1CC ZINC001317201157 1332129470 /nfs/dbraw/zinc/12/94/70/1332129470.db2.gz ZBIVNCURDDJXGC-QZTJIDSGSA-N 1 3 337.508 2.034 10 30 EEEEHO C=CCC[C@@H](C)[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001328485811 1334466088 /nfs/dbraw/zinc/46/60/88/1334466088.db2.gz NPEAUNAAHOLXNK-QZTJIDSGSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCC[C@@H](C)[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001328485811 1334466091 /nfs/dbraw/zinc/46/60/91/1334466091.db2.gz NPEAUNAAHOLXNK-QZTJIDSGSA-N 1 3 349.519 2.129 10 30 EEEEHO C#CCC[N@@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001331054479 1334954156 /nfs/dbraw/zinc/95/41/56/1334954156.db2.gz RTYURONOHSYEHN-IBGZPJMESA-N 1 3 337.483 2.145 10 30 EEEEHO C#CCC[N@H+](C)C1CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001331054479 1334954159 /nfs/dbraw/zinc/95/41/59/1334954159.db2.gz RTYURONOHSYEHN-IBGZPJMESA-N 1 3 337.483 2.145 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC2CCC2)C2CCCC2)CC1 ZINC001569613159 1342908543 /nfs/dbraw/zinc/90/85/43/1342908543.db2.gz BLCBVRTVWVOAIZ-FQEVSTJZSA-N 1 3 345.531 2.396 10 30 EEEEHO C#CCN1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001569621792 1342910920 /nfs/dbraw/zinc/91/09/20/1342910920.db2.gz ITMBNCDMXMHRQU-ICSRJNTNSA-N 1 3 333.520 2.445 10 30 EEEEHO CC#CCN1CCC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001677364238 1357321188 /nfs/dbraw/zinc/32/11/88/1357321188.db2.gz YAXNAMVDMCXLFD-ROUUACIJSA-N 1 3 333.520 2.491 10 30 EEEEHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001449407152 1094388214 /nfs/dbraw/zinc/38/82/14/1094388214.db2.gz VGTHCDSJEURYDJ-UHFFFAOYSA-N 1 3 346.450 2.117 10 30 EEEEHO C[NH+](C)CCCC(=O)N[C@](C)(CNCC#Cc1ccccc1)C1CC1 ZINC001495280522 1100978008 /nfs/dbraw/zinc/97/80/08/1100978008.db2.gz PHOALHDXCIXRHG-OAQYLSRUSA-N 1 3 341.499 2.254 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001497334037 1102341394 /nfs/dbraw/zinc/34/13/94/1102341394.db2.gz WIIVAIDWJVUKBV-CQSZACIVSA-N 1 3 334.439 2.022 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCC=C)C2)CC1 ZINC001480709755 1106931594 /nfs/dbraw/zinc/93/15/94/1106931594.db2.gz MUORRGFECTVZHE-MOPGFXCFSA-N 1 3 331.504 2.315 10 30 EEEEHO CC#CC[NH2+]CCc1ccc(CNC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001480714324 1106942244 /nfs/dbraw/zinc/94/22/44/1106942244.db2.gz GHAHTRMQKIGWHX-IBGZPJMESA-N 1 3 329.488 2.044 10 30 EEEEHO C#CCN1CC[C@@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001499606651 1112406179 /nfs/dbraw/zinc/40/61/79/1112406179.db2.gz REZSQMROACUKIP-HXUWFJFHSA-N 1 3 331.504 2.199 10 30 EEEEHO C#CCN1CC[C@@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001499606651 1112406180 /nfs/dbraw/zinc/40/61/80/1112406180.db2.gz REZSQMROACUKIP-HXUWFJFHSA-N 1 3 331.504 2.199 10 30 EEEEHO CCCN(C)CC(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccc(F)cc1 ZINC001568700106 1124715289 /nfs/dbraw/zinc/71/52/89/1124715289.db2.gz KNNILYGCSZPVFR-INIZCTEOSA-N 1 3 333.451 2.003 10 30 EEEEHO OCC[C@H]1CCCCCN1CC#CC[N@@H+]1CCCCC[C@@H]1CCO ZINC000342055044 539831358 /nfs/dbraw/zinc/83/13/58/539831358.db2.gz YEPOSCIYXGKHRD-WOJBJXKFSA-N 1 3 336.520 2.244 10 30 EEEEHO OCC[C@H]1CCCCCN1CC#CC[N@H+]1CCCCC[C@@H]1CCO ZINC000342055044 539831360 /nfs/dbraw/zinc/83/13/60/539831360.db2.gz YEPOSCIYXGKHRD-WOJBJXKFSA-N 1 3 336.520 2.244 10 30 EEEEHO C[C@]1(CCCO)CCCN1CC#CC[N@@H+]1CCC[C@]1(C)CCCO ZINC000341908480 465273428 /nfs/dbraw/zinc/27/34/28/465273428.db2.gz DOPLFDNFLZKFQY-WOJBJXKFSA-N 1 3 336.520 2.244 10 30 EEEEHO C[C@]1(CCCO)CCCN1CC#CC[N@H+]1CCC[C@]1(C)CCCO ZINC000341908480 465273433 /nfs/dbraw/zinc/27/34/33/465273433.db2.gz DOPLFDNFLZKFQY-WOJBJXKFSA-N 1 3 336.520 2.244 10 30 EEEEHO C=CCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527768968 467665198 /nfs/dbraw/zinc/66/51/98/467665198.db2.gz URGXEYFDHHDLRA-SFHVURJKSA-N 1 3 334.508 2.343 10 30 EEEEHO C=CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527768968 467665201 /nfs/dbraw/zinc/66/52/01/467665201.db2.gz URGXEYFDHHDLRA-SFHVURJKSA-N 1 3 334.508 2.343 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602574570 469367431 /nfs/dbraw/zinc/36/74/31/469367431.db2.gz BNTQLUAGQDRSEG-QZTJIDSGSA-N 1 3 328.460 2.036 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602574570 469367436 /nfs/dbraw/zinc/36/74/36/469367436.db2.gz BNTQLUAGQDRSEG-QZTJIDSGSA-N 1 3 328.460 2.036 10 30 EEEEHO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(C(C)(C)N)no1)C(C)C ZINC000662682782 472203898 /nfs/dbraw/zinc/20/38/98/472203898.db2.gz VALDIITUJDOHLH-CQSZACIVSA-N 1 3 334.464 2.297 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(CC)cc2)CC1 ZINC001772517040 1176568589 /nfs/dbraw/zinc/56/85/89/1176568589.db2.gz JEUGUZRBCKIGNB-QGZVFWFLSA-N 1 3 341.499 2.189 10 30 EEEEHO CN(CCNCc1ccc(C#N)c(F)c1)C(=O)CC[NH+]1CCCCC1 ZINC001267117354 1178281311 /nfs/dbraw/zinc/28/13/11/1178281311.db2.gz REANMKUOXXUIMO-UHFFFAOYSA-N 1 3 346.450 2.121 10 30 EEEEHO C=CC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001267466846 1179078182 /nfs/dbraw/zinc/07/81/82/1179078182.db2.gz SBULGQBPLQWZNQ-KRWDZBQOSA-N 1 3 339.443 2.380 10 30 EEEEHO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001267466846 1179078187 /nfs/dbraw/zinc/07/81/87/1179078187.db2.gz SBULGQBPLQWZNQ-KRWDZBQOSA-N 1 3 339.443 2.380 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001268543575 1183216167 /nfs/dbraw/zinc/21/61/67/1183216167.db2.gz WLBZANQXEWJARH-RTLBZRNLSA-N 1 3 340.471 2.193 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/CNCc1cccc(C#N)c1 ZINC001268543575 1183216172 /nfs/dbraw/zinc/21/61/72/1183216172.db2.gz WLBZANQXEWJARH-RTLBZRNLSA-N 1 3 340.471 2.193 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001482370220 1185535638 /nfs/dbraw/zinc/53/56/38/1185535638.db2.gz TUANJMPCBPEDLB-LPHOPBHVSA-N 1 3 342.487 2.369 10 30 EEEEHO C=C(C)C[NH2+]CC1CC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001485102947 1191652430 /nfs/dbraw/zinc/65/24/30/1191652430.db2.gz YCJDBNSJUKCYLY-JMLCCBQJSA-N 1 3 325.472 2.259 10 30 EEEEHO C#CCN1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001277294271 1302231462 /nfs/dbraw/zinc/23/14/62/1302231462.db2.gz JNZXNRIZIUNGSY-OALUTQOASA-N 1 3 331.504 2.199 10 30 EEEEHO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001278550772 1317216897 /nfs/dbraw/zinc/21/68/97/1317216897.db2.gz ZBQIUOOONIKKCY-MSOLQXFVSA-N 1 3 325.472 2.213 10 30 EEEEHO C=CCOCCN1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001264164993 1322645987 /nfs/dbraw/zinc/64/59/87/1322645987.db2.gz VHALKQCPWDCEBG-APWZRJJASA-N 1 3 345.487 2.143 10 30 EEEEHO CC[C@@H](C(=O)N[C@H](C)CCC[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001283239848 1325967143 /nfs/dbraw/zinc/96/71/43/1325967143.db2.gz POZCRWPUKCRFBO-APWZRJJASA-N 1 3 347.478 2.392 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC/C=C/CC)[C@@H]2C)CC1 ZINC001316799851 1331899126 /nfs/dbraw/zinc/89/91/26/1331899126.db2.gz KYOGRZUBSLXWNO-JISXSJDESA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC/C=C/CC)[C@@H]2C)CC1 ZINC001316799851 1331899133 /nfs/dbraw/zinc/89/91/33/1331899133.db2.gz KYOGRZUBSLXWNO-JISXSJDESA-N 1 3 331.504 2.267 10 30 EEEEHO C[C@@H](CNC(=O)CCCC[NH+](C)C)NCC#Cc1ccc(F)cc1 ZINC001317284846 1332164666 /nfs/dbraw/zinc/16/46/66/1332164666.db2.gz YJQZNMQPTLGOOO-INIZCTEOSA-N 1 3 333.451 2.003 10 30 EEEEHO C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001328674474 1334497093 /nfs/dbraw/zinc/49/70/93/1334497093.db2.gz WJBRXYFATSKLMH-IBGZPJMESA-N 1 3 327.472 2.356 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]C[C@H](F)CC)C(C)(C)C)CC1 ZINC001332898601 1335926856 /nfs/dbraw/zinc/92/68/56/1335926856.db2.gz KJAHHULMQGRSRO-IAGOWNOFSA-N 1 3 339.499 2.200 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]C/C=C/Cl)CC(C)C)CC1 ZINC001667118398 1355651390 /nfs/dbraw/zinc/65/13/90/1355651390.db2.gz RAGMPCHQXHUEPK-JZLODUJNSA-N 1 3 339.911 2.205 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)CC(C)C)CC1 ZINC001667118397 1355651757 /nfs/dbraw/zinc/65/17/57/1355651757.db2.gz RAGMPCHQXHUEPK-CTEOGUNLSA-N 1 3 339.911 2.205 10 30 EEEEHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001570640422 1343096311 /nfs/dbraw/zinc/09/63/11/1343096311.db2.gz AIYKGXDDQFSMMH-HZPDHXFCSA-N 1 3 333.451 2.002 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC#Cc1ccc(F)cc1 ZINC001570640422 1343096313 /nfs/dbraw/zinc/09/63/13/1343096313.db2.gz AIYKGXDDQFSMMH-HZPDHXFCSA-N 1 3 333.451 2.002 10 30 EEEEHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)NCC#Cc1ccccc1 ZINC001676365136 1357141172 /nfs/dbraw/zinc/14/11/72/1357141172.db2.gz SQOVWZJIFGZXKF-ICSRJNTNSA-N 1 3 341.499 2.349 10 30 EEEEHO C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C)NCC#Cc1ccccc1 ZINC001676365136 1357141176 /nfs/dbraw/zinc/14/11/76/1357141176.db2.gz SQOVWZJIFGZXKF-ICSRJNTNSA-N 1 3 341.499 2.349 10 30 EEEEHO C=C(C[NH+](C)C)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC001623918127 1352408612 /nfs/dbraw/zinc/40/86/12/1352408612.db2.gz LUUBNTZTZFNZPO-GOSISDBHSA-N 1 3 331.460 2.066 10 30 EEEEHO CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001649462173 1353518845 /nfs/dbraw/zinc/51/88/45/1353518845.db2.gz JDGPXMHPRVOWER-RBUKOAKNSA-N 1 3 333.520 2.302 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CN(C)CCC)C2)C1 ZINC001649462173 1353518848 /nfs/dbraw/zinc/51/88/48/1353518848.db2.gz JDGPXMHPRVOWER-RBUKOAKNSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CC[N@@H+](C)CCCNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC001662547468 1354805102 /nfs/dbraw/zinc/80/51/02/1354805102.db2.gz FCFIIQDYYHLLDT-UHFFFAOYSA-N 1 3 348.922 2.137 10 30 EEEEHO C#CC[N@H+](C)CCCNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC001662547468 1354805108 /nfs/dbraw/zinc/80/51/08/1354805108.db2.gz FCFIIQDYYHLLDT-UHFFFAOYSA-N 1 3 348.922 2.137 10 30 EEEEHO CC[C@H](CNC(=O)CC[NH+](C)C)NCC#Cc1ccccc1Cl ZINC001665839354 1355398166 /nfs/dbraw/zinc/39/81/66/1355398166.db2.gz NUYCKRIFAZLECQ-MRXNPFEDSA-N 1 3 335.879 2.128 10 30 EEEEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001674674435 1356873201 /nfs/dbraw/zinc/87/32/01/1356873201.db2.gz RUPDNFUHFDGAJH-JKSUJKDBSA-N 1 3 345.462 2.144 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]C[C@H](F)CC)CCCC2)CC1 ZINC001698804358 1405077871 /nfs/dbraw/zinc/07/78/71/1405077871.db2.gz UKXIIDNQJOHVPR-QGZVFWFLSA-N 1 3 337.483 2.098 10 30 EEEEHO C#CCN1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001479747862 1098887364 /nfs/dbraw/zinc/88/73/64/1098887364.db2.gz HRMGHIIORHJACS-SFHVURJKSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001479747861 1098888149 /nfs/dbraw/zinc/88/81/49/1098888149.db2.gz HRMGHIIORHJACS-GOSISDBHSA-N 1 3 333.520 2.493 10 30 EEEEHO CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1)N(C)C ZINC001479777091 1098957679 /nfs/dbraw/zinc/95/76/79/1098957679.db2.gz CAWASSXLDRUKQM-SFHVURJKSA-N 1 3 330.476 2.083 10 30 EEEEHO CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1)N(C)C ZINC001479777091 1098957684 /nfs/dbraw/zinc/95/76/84/1098957684.db2.gz CAWASSXLDRUKQM-SFHVURJKSA-N 1 3 330.476 2.083 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@](C)(C[NH2+]CC2CCC2)C2CC2)CC1 ZINC001495303682 1101004896 /nfs/dbraw/zinc/00/48/96/1101004896.db2.gz QUCPMALECBKLTJ-FQEVSTJZSA-N 1 3 331.504 2.006 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)CCC=C)CC1 ZINC001493160608 1107615591 /nfs/dbraw/zinc/61/55/91/1107615591.db2.gz IUMZSSPSTWWCJM-HKUYNNGSSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)CCC=C)CC1 ZINC001493160608 1107615596 /nfs/dbraw/zinc/61/55/96/1107615596.db2.gz IUMZSSPSTWWCJM-HKUYNNGSSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CC[C@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001499606650 1112406117 /nfs/dbraw/zinc/40/61/17/1112406117.db2.gz REZSQMROACUKIP-FQEVSTJZSA-N 1 3 331.504 2.199 10 30 EEEEHO C#CCN1CC[C@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001499606650 1112406118 /nfs/dbraw/zinc/40/61/18/1112406118.db2.gz REZSQMROACUKIP-FQEVSTJZSA-N 1 3 331.504 2.199 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@](C)(C[NH2+]CCC2CC2)C2CC2)CC1 ZINC001568033854 1124241269 /nfs/dbraw/zinc/24/12/69/1124241269.db2.gz KFQZVSFISVFITN-FQEVSTJZSA-N 1 3 331.504 2.006 10 30 EEEEHO C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568393375 1124464007 /nfs/dbraw/zinc/46/40/07/1124464007.db2.gz KRIMVNWVLVYSBU-QFBILLFUSA-N 1 3 337.483 2.193 10 30 EEEEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C#N)cc1C ZINC000118952023 279329497 /nfs/dbraw/zinc/32/94/97/279329497.db2.gz CQJGLPZHKJVGTC-SFHVURJKSA-N 1 3 342.487 2.355 10 30 EEEEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)c1ccc(C#N)cc1C ZINC000118952023 279329499 /nfs/dbraw/zinc/32/94/99/279329499.db2.gz CQJGLPZHKJVGTC-SFHVURJKSA-N 1 3 342.487 2.355 10 30 EEEEHO N#Cc1ccccc1OC[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000392910695 467428757 /nfs/dbraw/zinc/42/87/57/467428757.db2.gz FDXHMSVSSUBEDA-IBGZPJMESA-N 1 3 343.471 2.106 10 30 EEEEHO CC[NH+]1CCC(N2CCC(C(=O)N(C[C@@H](C)C#N)C3CC3)CC2)CC1 ZINC000563638031 469243561 /nfs/dbraw/zinc/24/35/61/469243561.db2.gz RWXIIWJTYCBFPO-INIZCTEOSA-N 1 3 346.519 2.333 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@@H+](CC/C=C/CC)C2)CC1 ZINC001266550854 1176819150 /nfs/dbraw/zinc/81/91/50/1176819150.db2.gz FKEIAEYERMMSLL-DUMMIQTOSA-N 1 3 331.504 2.126 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001266550854 1176819161 /nfs/dbraw/zinc/81/91/61/1176819161.db2.gz FKEIAEYERMMSLL-DUMMIQTOSA-N 1 3 331.504 2.126 10 30 EEEEHO C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CN1CC[C@@H](C)C1 ZINC001269575199 1184404609 /nfs/dbraw/zinc/40/46/09/1184404609.db2.gz RNZLZYJXASNCAL-MVCQKVDPSA-N 1 3 349.519 2.033 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](C)C1 ZINC001482439877 1185724804 /nfs/dbraw/zinc/72/48/04/1185724804.db2.gz WXMTXFIOWYSBRW-AZUAARDMSA-N 1 3 341.499 2.205 10 30 EEEEHO C=CCC[NH2+]C1(CNC(=O)c2cccc(CN(C)C)c2)CCOCC1 ZINC001271085423 1185869232 /nfs/dbraw/zinc/86/92/32/1185869232.db2.gz AAKUARMOGZPHHR-UHFFFAOYSA-N 1 3 345.487 2.193 10 30 EEEEHO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](F)CN(CC)CC)CC(C)(C)C1 ZINC001691813198 1188291959 /nfs/dbraw/zinc/29/19/59/1188291959.db2.gz INYLFCNEWLQBKL-SJORKVTESA-N 1 3 339.499 2.296 10 30 EEEEHO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)CN(CC)CC)CC(C)(C)C1 ZINC001691813198 1188291961 /nfs/dbraw/zinc/29/19/61/1188291961.db2.gz INYLFCNEWLQBKL-SJORKVTESA-N 1 3 339.499 2.296 10 30 EEEEHO CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001484462089 1191366078 /nfs/dbraw/zinc/36/60/78/1191366078.db2.gz BELGZZIQBAUBSP-MOPGFXCFSA-N 1 3 331.504 2.341 10 30 EEEEHO C=CCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C(F)(F)F ZINC001486452731 1193974337 /nfs/dbraw/zinc/97/43/37/1193974337.db2.gz NNZCLJSZRLHCPO-ZIAGYGMSSA-N 1 3 347.425 2.416 10 30 EEEEHO C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]21 ZINC001410927652 1198592391 /nfs/dbraw/zinc/59/23/91/1198592391.db2.gz UZGLHRDMQIDVOD-ARFHVFGLSA-N 1 3 327.900 2.296 10 30 EEEEHO C=C(Cl)CNC[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001411215798 1198924441 /nfs/dbraw/zinc/92/44/41/1198924441.db2.gz WRGCEFPGUZWIQM-HUUCEWRRSA-N 1 3 327.900 2.201 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000876741264 1199750961 /nfs/dbraw/zinc/75/09/61/1199750961.db2.gz PIWIFTDXGQMMQD-HOTGVXAUSA-N 1 3 327.900 2.427 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1 ZINC001274609038 1205095589 /nfs/dbraw/zinc/09/55/89/1205095589.db2.gz HUOJNGLHFUXAOX-VZSQWMKGSA-N 1 3 340.471 2.195 10 30 EEEEHO CN(CCC[NH2+]CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCCCN1C ZINC001276179645 1205819108 /nfs/dbraw/zinc/81/91/08/1205819108.db2.gz KZGDVDNQXUVCHS-IBGZPJMESA-N 1 3 345.462 2.100 10 30 EEEEHO C#CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccccc1 ZINC000853909458 1292522060 /nfs/dbraw/zinc/52/20/60/1292522060.db2.gz CKJZOEAHRUPXJV-HKUYNNGSSA-N 1 3 344.503 2.322 10 30 EEEEHO C#CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccccc1 ZINC000853909458 1292522068 /nfs/dbraw/zinc/52/20/68/1292522068.db2.gz CKJZOEAHRUPXJV-HKUYNNGSSA-N 1 3 344.503 2.322 10 30 EEEEHO C#CCN(C(=O)[C@H](CC)N(C)C)C1CC[NH+](CC2CCCC2)CC1 ZINC001278184749 1306210691 /nfs/dbraw/zinc/21/06/91/1306210691.db2.gz RPVGGQUEKFQIHF-IBGZPJMESA-N 1 3 333.520 2.443 10 30 EEEEHO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265303788 1323054428 /nfs/dbraw/zinc/05/44/28/1323054428.db2.gz PCNXOPWKQDXPHP-CRAIPNDOSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265303788 1323054433 /nfs/dbraw/zinc/05/44/33/1323054433.db2.gz PCNXOPWKQDXPHP-CRAIPNDOSA-N 1 3 325.472 2.356 10 30 EEEEHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC001266191887 1323754848 /nfs/dbraw/zinc/75/48/48/1323754848.db2.gz MBTNVMPRLQGWGA-INIZCTEOSA-N 1 3 333.451 2.002 10 30 EEEEHO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H](F)CN(CC)CC)C2)C1 ZINC001282964349 1325857264 /nfs/dbraw/zinc/85/72/64/1325857264.db2.gz GYLNXTFFDXYMGU-INIZCTEOSA-N 1 3 325.472 2.167 10 30 EEEEHO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](F)CN(CC)CC)C2)C1 ZINC001282964349 1325857265 /nfs/dbraw/zinc/85/72/65/1325857265.db2.gz GYLNXTFFDXYMGU-INIZCTEOSA-N 1 3 325.472 2.167 10 30 EEEEHO C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)C[C@@H]2C1 ZINC001316757143 1331875190 /nfs/dbraw/zinc/87/51/90/1331875190.db2.gz MZDDHSAAEVNACS-MOPGFXCFSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CN(C)CCCCCC)C[C@@H]2C1 ZINC001316757143 1331875194 /nfs/dbraw/zinc/87/51/94/1331875194.db2.gz MZDDHSAAEVNACS-MOPGFXCFSA-N 1 3 333.520 2.302 10 30 EEEEHO CC#CCN1CCC[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317138204 1332095481 /nfs/dbraw/zinc/09/54/81/1332095481.db2.gz MMHANMMJCGVMQV-SFHVURJKSA-N 1 3 333.520 2.493 10 30 EEEEHO CC#CCN1CCC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001317138204 1332095483 /nfs/dbraw/zinc/09/54/83/1332095483.db2.gz MMHANMMJCGVMQV-SFHVURJKSA-N 1 3 333.520 2.493 10 30 EEEEHO C=CCN1CCC(N(Cc2ccccn2)C(=O)CC[N@@H+](C)CC)CC1 ZINC001325716087 1333946164 /nfs/dbraw/zinc/94/61/64/1333946164.db2.gz LPRNNNIEALXMPU-UHFFFAOYSA-N 1 3 344.503 2.402 10 30 EEEEHO C=CCN1CCC(N(Cc2ccccn2)C(=O)CC[N@H+](C)CC)CC1 ZINC001325716087 1333946166 /nfs/dbraw/zinc/94/61/66/1333946166.db2.gz LPRNNNIEALXMPU-UHFFFAOYSA-N 1 3 344.503 2.402 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1)[NH+](C)C ZINC001331546838 1335035134 /nfs/dbraw/zinc/03/51/34/1335035134.db2.gz KYSURYKXQNUKRX-IEBWSBKVSA-N 1 3 329.488 2.061 10 30 EEEEHO C=C(C)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C(F)(F)F ZINC001333021381 1335949038 /nfs/dbraw/zinc/94/90/38/1335949038.db2.gz OMDXSOJCHQDBAN-UONOGXRCSA-N 1 3 347.425 2.273 10 30 EEEEHO CC#CCN1CCC[C@@](C)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001569723120 1342932815 /nfs/dbraw/zinc/93/28/15/1342932815.db2.gz BSXYEPOAINARDH-FQEVSTJZSA-N 1 3 333.520 2.348 10 30 EEEEHO C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)N2CCCCCC2)CC1 ZINC001571645533 1343260393 /nfs/dbraw/zinc/26/03/93/1343260393.db2.gz JMDLIQUSQJHBDI-MSOLQXFVSA-N 1 3 333.520 2.491 10 30 EEEEHO CC(C)[C@@H](C(=O)NC[C@@H](C)NCC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001662394587 1354790617 /nfs/dbraw/zinc/79/06/17/1354790617.db2.gz LYYPSOBDYNJVIG-QAPCUYQASA-N 1 3 349.906 2.372 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC=C)CC2)CC1 ZINC001673406751 1354852564 /nfs/dbraw/zinc/85/25/64/1354852564.db2.gz IWPBRQLHPBJCBE-IBGZPJMESA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC=C)CC2)CC1 ZINC001673406751 1354852571 /nfs/dbraw/zinc/85/25/71/1354852571.db2.gz IWPBRQLHPBJCBE-IBGZPJMESA-N 1 3 331.504 2.269 10 30 EEEEHO C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001666145014 1355465896 /nfs/dbraw/zinc/46/58/96/1355465896.db2.gz BNLMLDKJNPKQQH-LPHOPBHVSA-N 1 3 337.483 2.050 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001669289249 1356140759 /nfs/dbraw/zinc/14/07/59/1356140759.db2.gz USHPWKRSIKZCTB-IEBWSBKVSA-N 1 3 327.472 2.005 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC#Cc1ccccc1 ZINC001669289249 1356140762 /nfs/dbraw/zinc/14/07/62/1356140762.db2.gz USHPWKRSIKZCTB-IEBWSBKVSA-N 1 3 327.472 2.005 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001674771921 1356893831 /nfs/dbraw/zinc/89/38/31/1356893831.db2.gz COUBZSHOFQFBGV-IAGOWNOFSA-N 1 3 333.520 2.395 10 30 EEEEHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCc1ccc(F)c(C#N)c1 ZINC001437169994 1089192722 /nfs/dbraw/zinc/19/27/22/1089192722.db2.gz WGMVWULKVWAKQN-RHSMWYFYSA-N 1 3 346.450 2.166 10 30 EEEEHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCc1ccc(F)c(C#N)c1 ZINC001437169994 1089192728 /nfs/dbraw/zinc/19/27/28/1089192728.db2.gz WGMVWULKVWAKQN-RHSMWYFYSA-N 1 3 346.450 2.166 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001438707668 1091220442 /nfs/dbraw/zinc/22/04/42/1091220442.db2.gz WHKWKPBNOPQMMY-KBXCAEBGSA-N 1 3 348.466 2.220 10 30 EEEEHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001448526691 1093557916 /nfs/dbraw/zinc/55/79/16/1093557916.db2.gz YLTDWHZLFYKPHW-ZQIUZPCESA-N 1 3 345.890 2.436 10 30 EEEEHO C=C(Cl)CNCC1CC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001440756808 1093999986 /nfs/dbraw/zinc/99/99/86/1093999986.db2.gz OBIJBLYSLJLFMM-PCKAHOCUSA-N 1 3 327.900 2.345 10 30 EEEEHO C=C(Cl)CNCC1CC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001440756808 1093999987 /nfs/dbraw/zinc/99/99/87/1093999987.db2.gz OBIJBLYSLJLFMM-PCKAHOCUSA-N 1 3 327.900 2.345 10 30 EEEEHO C=C(Br)CN[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001441539842 1095253959 /nfs/dbraw/zinc/25/39/59/1095253959.db2.gz IUTAICCLWZFOAK-OKILXGFUSA-N 1 3 344.297 2.008 10 30 EEEEHO C=C(Cl)CN[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC001441930692 1096118564 /nfs/dbraw/zinc/11/85/64/1096118564.db2.gz XHXDAPNSXXZLNA-MSOLQXFVSA-N 1 3 349.906 2.398 10 30 EEEEHO C=C(Cl)CN[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001441930692 1096118568 /nfs/dbraw/zinc/11/85/68/1096118568.db2.gz XHXDAPNSXXZLNA-MSOLQXFVSA-N 1 3 349.906 2.398 10 30 EEEEHO C[C@H]1C[C@@H](C(=O)NC/C=C/CNCc2cccc(C#N)c2)CC[N@@H+]1C ZINC001497662889 1102852766 /nfs/dbraw/zinc/85/27/66/1102852766.db2.gz MYJVLGPIRUNSIY-YKTDSXCKSA-N 1 3 340.471 2.051 10 30 EEEEHO C[C@H]1C[C@@H](C(=O)NC/C=C/CNCc2cccc(C#N)c2)CC[N@H+]1C ZINC001497662889 1102852784 /nfs/dbraw/zinc/85/27/84/1102852784.db2.gz MYJVLGPIRUNSIY-YKTDSXCKSA-N 1 3 340.471 2.051 10 30 EEEEHO C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001447812899 1103374289 /nfs/dbraw/zinc/37/42/89/1103374289.db2.gz YLTDWHZLFYKPHW-KVULBXGLSA-N 1 3 345.890 2.436 10 30 EEEEHO CN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480735588 1107005988 /nfs/dbraw/zinc/00/59/88/1107005988.db2.gz VWANUSSCJAKENO-QGZVFWFLSA-N 1 3 346.450 2.072 10 30 EEEEHO C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)N2CCCCC2)CC1 ZINC001501179569 1113230568 /nfs/dbraw/zinc/23/05/68/1113230568.db2.gz PLDUZRPOZPYBST-IYARVYRRSA-N 1 3 333.520 2.396 10 30 EEEEHO C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001501662468 1113421121 /nfs/dbraw/zinc/42/11/21/1113421121.db2.gz APOLJRCMKIUGLG-VQIMIIECSA-N 1 3 327.472 2.098 10 30 EEEEHO C#CCCN(C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001501662468 1113421124 /nfs/dbraw/zinc/42/11/24/1113421124.db2.gz APOLJRCMKIUGLG-VQIMIIECSA-N 1 3 327.472 2.098 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2CC)CC1 ZINC001569099030 1125097425 /nfs/dbraw/zinc/09/74/25/1125097425.db2.gz ODCDNHALGKLSKB-KRWDZBQOSA-N 1 3 341.499 2.189 10 30 EEEEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cn3ccccc3c2C#N)CC1 ZINC000069658766 463297277 /nfs/dbraw/zinc/29/72/77/463297277.db2.gz XCDFVWXVUXSTAC-INIZCTEOSA-N 1 3 340.471 2.336 10 30 EEEEHO COc1cc(CN2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1C#N ZINC000530248101 467968474 /nfs/dbraw/zinc/96/84/74/467968474.db2.gz FZEOVOURCSMHQH-SFHVURJKSA-N 1 3 329.444 2.157 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000594437555 468587061 /nfs/dbraw/zinc/58/70/61/468587061.db2.gz JWTMKZMCFLIADA-LJQANCHMSA-N 1 3 342.487 2.426 10 30 EEEEHO C[C@H](c1ccncc1)N1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594443884 468590138 /nfs/dbraw/zinc/59/01/38/468590138.db2.gz WNHLGFQDUKTHJB-QAPCUYQASA-N 1 3 343.475 2.134 10 30 EEEEHO C=C(C)C[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001485669909 1191889568 /nfs/dbraw/zinc/88/95/68/1191889568.db2.gz CDVJODUZIZNFBF-KRWDZBQOSA-N 1 3 349.519 2.034 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266949441 1177873890 /nfs/dbraw/zinc/87/38/90/1177873890.db2.gz OTFVNEZNGOKBTF-ICSRJNTNSA-N 1 3 341.499 2.253 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266949441 1177873900 /nfs/dbraw/zinc/87/39/00/1177873900.db2.gz OTFVNEZNGOKBTF-ICSRJNTNSA-N 1 3 341.499 2.253 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@@H](C)CNCC#Cc1cccc(Cl)c1)[NH+](C)C ZINC001268712377 1183632722 /nfs/dbraw/zinc/63/27/22/1183632722.db2.gz SNOXZUUIRYFYIL-YJBOKZPZSA-N 1 3 349.906 2.372 10 30 EEEEHO CC#CC[NH2+][C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001482437381 1185715366 /nfs/dbraw/zinc/71/53/66/1185715366.db2.gz NTNCTEGOIWSQCC-APWZRJJASA-N 1 3 327.472 2.212 10 30 EEEEHO CC(C)[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001482552273 1186668464 /nfs/dbraw/zinc/66/84/64/1186668464.db2.gz CMHGZSREODYAOK-AZUAARDMSA-N 1 3 341.499 2.110 10 30 EEEEHO C=C(Br)CNCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001482901399 1187813855 /nfs/dbraw/zinc/81/38/55/1187813855.db2.gz KAGNEDHMHMBGAN-CQSZACIVSA-N 1 3 346.313 2.255 10 30 EEEEHO CC(C)[NH+]1CCC(C(=O)N[C@H](C)CNCC#Cc2ccccc2)CC1 ZINC001483180982 1189045592 /nfs/dbraw/zinc/04/55/92/1189045592.db2.gz OUWJAKKODCOBLD-GOSISDBHSA-N 1 3 341.499 2.253 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)Cc2cccc(C)c2)CC1 ZINC001483420451 1190466891 /nfs/dbraw/zinc/46/68/91/1190466891.db2.gz JHJSJXHNIAOYLD-GOSISDBHSA-N 1 3 341.499 2.277 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc2cccc(C)c2)CC1 ZINC001483420451 1190466894 /nfs/dbraw/zinc/46/68/94/1190466894.db2.gz JHJSJXHNIAOYLD-GOSISDBHSA-N 1 3 341.499 2.277 10 30 EEEEHO C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CN1CC[C@H](C)C1 ZINC001281912600 1325507527 /nfs/dbraw/zinc/50/75/27/1325507527.db2.gz PDEOJMGRHGOCAA-QKYXUNIQSA-N 1 3 327.472 2.276 10 30 EEEEHO C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)C ZINC001282567153 1325742051 /nfs/dbraw/zinc/74/20/51/1325742051.db2.gz GYBNHISTUUTLOE-QFBILLFUSA-N 1 3 339.499 2.295 10 30 EEEEHO CC#CC[N@@H+]1C[C@H](NC(=O)CN(C)CCc2ccccc2)C(C)(C)C1 ZINC001282819760 1325796615 /nfs/dbraw/zinc/79/66/15/1325796615.db2.gz GHQVQJVBPFLKJG-IBGZPJMESA-N 1 3 341.499 2.011 10 30 EEEEHO CC#CC[N@H+]1C[C@H](NC(=O)CN(C)CCc2ccccc2)C(C)(C)C1 ZINC001282819760 1325796617 /nfs/dbraw/zinc/79/66/17/1325796617.db2.gz GHQVQJVBPFLKJG-IBGZPJMESA-N 1 3 341.499 2.011 10 30 EEEEHO C=CCN[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1C(F)(F)F ZINC001284736485 1326689326 /nfs/dbraw/zinc/68/93/26/1326689326.db2.gz HKLRVODFDHQCDV-HUUCEWRRSA-N 1 3 347.425 2.417 10 30 EEEEHO C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001492164678 1331029688 /nfs/dbraw/zinc/02/96/88/1331029688.db2.gz DBOQXCWFGHSPFQ-VQIMIIECSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001492164678 1331029693 /nfs/dbraw/zinc/02/96/93/1331029693.db2.gz DBOQXCWFGHSPFQ-VQIMIIECSA-N 1 3 337.483 2.193 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@](C)(C[NH2+]CCC(=C)C)C2CC2)CC1 ZINC001318727630 1332584111 /nfs/dbraw/zinc/58/41/11/1332584111.db2.gz LWORSAQMWGRZBX-FQEVSTJZSA-N 1 3 331.504 2.172 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001319562518 1332722054 /nfs/dbraw/zinc/72/20/54/1332722054.db2.gz LDBQHOISZZXHIT-KRWDZBQOSA-N 1 3 347.478 2.346 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCC#Cc1ccc(F)cc1 ZINC001319562518 1332722059 /nfs/dbraw/zinc/72/20/59/1332722059.db2.gz LDBQHOISZZXHIT-KRWDZBQOSA-N 1 3 347.478 2.346 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001319788841 1332767940 /nfs/dbraw/zinc/76/79/40/1332767940.db2.gz UGHXNTQSSZMMBC-CVEARBPZSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001319788841 1332767942 /nfs/dbraw/zinc/76/79/42/1332767942.db2.gz UGHXNTQSSZMMBC-CVEARBPZSA-N 1 3 327.900 2.442 10 30 EEEEHO C[C@H](CC[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001320445144 1332884993 /nfs/dbraw/zinc/88/49/93/1332884993.db2.gz FSPLAVAOOOGDPG-MRXNPFEDSA-N 1 3 345.462 2.146 10 30 EEEEHO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CCO1 ZINC001327035044 1334208313 /nfs/dbraw/zinc/20/83/13/1334208313.db2.gz NBYJCJQQHBMSNJ-QZTJIDSGSA-N 1 3 337.508 2.033 10 30 EEEEHO C=CCCC[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1 ZINC001344011351 1337361091 /nfs/dbraw/zinc/36/10/91/1337361091.db2.gz MNMSGSJWKJTLRM-XIRDDKMYSA-N 1 3 349.450 2.080 10 30 EEEEHO C=CCC[NH2+][C@H](CNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001566724333 1342614878 /nfs/dbraw/zinc/61/48/78/1342614878.db2.gz HBQNGIXQRMGDCT-CRAIPNDOSA-N 1 3 325.472 2.259 10 30 EEEEHO C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)NCC#Cc1ccccc1 ZINC001676433499 1357149858 /nfs/dbraw/zinc/14/98/58/1357149858.db2.gz CCNXEQJYYNVRSH-SFHVURJKSA-N 1 3 341.499 2.207 10 30 EEEEHO CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@@H]21 ZINC001676845664 1357218987 /nfs/dbraw/zinc/21/89/87/1357218987.db2.gz MBHZRIHKKPTKDH-FGTMMUONSA-N 1 3 333.520 2.204 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001656176034 1354211386 /nfs/dbraw/zinc/21/13/86/1354211386.db2.gz NIJGOCYAFCOKGX-IZAXUBKRSA-N 1 3 345.462 2.002 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001664008637 1355073115 /nfs/dbraw/zinc/07/31/15/1355073115.db2.gz KSMVRRHFIGGBIN-OALUTQOASA-N 1 3 340.471 2.123 10 30 EEEEHO CN(CCNCc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001664008637 1355073121 /nfs/dbraw/zinc/07/31/21/1355073121.db2.gz KSMVRRHFIGGBIN-OALUTQOASA-N 1 3 340.471 2.123 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2cccc(C)c2)CC1 ZINC001698774280 1405054650 /nfs/dbraw/zinc/05/46/50/1405054650.db2.gz BYPRVTHRAAVUJB-SFHVURJKSA-N 1 3 341.499 2.182 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)[C@@H](C)C[NH2+]Cc2csc(C)c2)CC1 ZINC001698859183 1405116083 /nfs/dbraw/zinc/11/60/83/1405116083.db2.gz BHYVGTMFCXMKDQ-HNNXBMFYSA-N 1 3 347.528 2.338 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccsc3)C2)CC1 ZINC000939810780 777427849 /nfs/dbraw/zinc/42/78/49/777427849.db2.gz PGGLENLRYXGFLD-MAUKXSAKSA-N 1 3 345.512 2.030 10 30 EEEEHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3C#N)C2)CCC1 ZINC001448504606 1093531972 /nfs/dbraw/zinc/53/19/72/1093531972.db2.gz UXXFMFQMGWZZHH-RZDIXWSQSA-N 1 3 340.471 2.027 10 30 EEEEHO CC(C)N(C)CC(=O)N1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001448549649 1093592021 /nfs/dbraw/zinc/59/20/21/1093592021.db2.gz GAQFQQGDYGAQKG-UHFFFAOYSA-N 1 3 342.487 2.321 10 30 EEEEHO CC(C)N(C)CC(=O)N1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001448549649 1093592026 /nfs/dbraw/zinc/59/20/26/1093592026.db2.gz GAQFQQGDYGAQKG-UHFFFAOYSA-N 1 3 342.487 2.321 10 30 EEEEHO C=C(Cl)CNCC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001444061748 1098584201 /nfs/dbraw/zinc/58/42/01/1098584201.db2.gz NVIQAZUWWSAWHE-HNNXBMFYSA-N 1 3 325.884 2.099 10 30 EEEEHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)NCC#Cc1ccccc1 ZINC001494983445 1104626789 /nfs/dbraw/zinc/62/67/89/1104626789.db2.gz NSYXKAMSSFAMPW-SLFFLAALSA-N 1 3 341.499 2.253 10 30 EEEEHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)NCC#Cc1ccccc1 ZINC001494983445 1104626795 /nfs/dbraw/zinc/62/67/95/1104626795.db2.gz NSYXKAMSSFAMPW-SLFFLAALSA-N 1 3 341.499 2.253 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CCC(C)(C)C)CCC2)CC1 ZINC001502028924 1113564150 /nfs/dbraw/zinc/56/41/50/1113564150.db2.gz FVTZTYURGMXQIL-UHFFFAOYSA-N 1 3 333.520 2.396 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)Cc2ccc(C#N)cc2)CC[N@@H+]1C ZINC001505921923 1114277896 /nfs/dbraw/zinc/27/78/96/1114277896.db2.gz CCHUWTKNBDHZNO-AYOQOUSVSA-N 1 3 342.487 2.225 10 30 EEEEHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)N(C)Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001505921923 1114277898 /nfs/dbraw/zinc/27/78/98/1114277898.db2.gz CCHUWTKNBDHZNO-AYOQOUSVSA-N 1 3 342.487 2.225 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@H](C)CCC[NH2+]CC#Cc1ccccc1)N(C)C ZINC001506945261 1114993540 /nfs/dbraw/zinc/99/35/40/1114993540.db2.gz TUNTZKLDKHAFPF-UYAOXDASSA-N 1 3 343.515 2.499 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@@H]([NH2+]CC2CCC2)C(C)C)CC1 ZINC001506994515 1115038516 /nfs/dbraw/zinc/03/85/16/1115038516.db2.gz YUMNVMLEABEONN-LJQANCHMSA-N 1 3 333.520 2.252 10 30 EEEEHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1)[NH+](C)C ZINC001507151860 1115135907 /nfs/dbraw/zinc/13/59/07/1115135907.db2.gz KPGJTSMMQZCTKI-QFBILLFUSA-N 1 3 347.478 2.200 10 30 EEEEHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC001507445372 1115273377 /nfs/dbraw/zinc/27/33/77/1115273377.db2.gz BEFQGXOYFKSSTO-DNVCBOLYSA-N 1 3 337.483 2.049 10 30 EEEEHO CN(C(=O)[C@H]1CCCCN1C)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001508118376 1115423091 /nfs/dbraw/zinc/42/30/91/1115423091.db2.gz KBPKCPGFRLCMNV-SOAGJPPSSA-N 1 3 339.483 2.101 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]CC2=CCCCC2)CC1 ZINC001568968712 1125006245 /nfs/dbraw/zinc/00/62/45/1125006245.db2.gz ADSDWWIDHMFXEF-VOTSOKGWSA-N 1 3 329.488 2.094 10 30 EEEEHO CC(C)(C#N)c1ccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000594497510 468609300 /nfs/dbraw/zinc/60/93/00/468609300.db2.gz CRUPDUANVVSYCZ-QGZVFWFLSA-N 1 3 342.487 2.165 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)NCC2CC[NH+](CCC)CC2)CC1 ZINC000106336944 526588034 /nfs/dbraw/zinc/58/80/34/526588034.db2.gz RZLYOKPBWPYQRO-UHFFFAOYSA-N 1 3 336.524 2.448 10 30 EEEEHO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001691114803 1177605480 /nfs/dbraw/zinc/60/54/80/1177605480.db2.gz WSNUZFLFAGSOEE-DAYGRLMNSA-N 1 3 325.472 2.259 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]Cc2ccsc2)C(C)C)CC1 ZINC001268228786 1182043932 /nfs/dbraw/zinc/04/39/32/1182043932.db2.gz XIWVVGJEUQINLK-GOSISDBHSA-N 1 3 347.528 2.324 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccc(C#N)s1 ZINC001268542091 1183213282 /nfs/dbraw/zinc/21/32/82/1183213282.db2.gz OSWJHPCHILGYID-CWIOURORSA-N 1 3 346.500 2.255 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccc(C#N)s1 ZINC001268542091 1183213283 /nfs/dbraw/zinc/21/32/83/1183213283.db2.gz OSWJHPCHILGYID-CWIOURORSA-N 1 3 346.500 2.255 10 30 EEEEHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001270568004 1185178414 /nfs/dbraw/zinc/17/84/14/1185178414.db2.gz KFWDFRVJLUHZOU-MRXNPFEDSA-N 1 3 349.906 2.375 10 30 EEEEHO C[C@@H](CCNCc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001272784444 1193497072 /nfs/dbraw/zinc/49/70/72/1193497072.db2.gz UXJLFVOPLGHJBU-JJRVBVJISA-N 1 3 346.450 2.022 10 30 EEEEHO C[C@@H](CCNCc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272784444 1193497074 /nfs/dbraw/zinc/49/70/74/1193497074.db2.gz UXJLFVOPLGHJBU-JJRVBVJISA-N 1 3 346.450 2.022 10 30 EEEEHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001483097890 1188473499 /nfs/dbraw/zinc/47/34/99/1188473499.db2.gz NIANLDAJLGMSNS-MULDZMIYSA-N 1 3 340.471 2.193 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCCC=C)CC1 ZINC001483987673 1191143573 /nfs/dbraw/zinc/14/35/73/1191143573.db2.gz ZIKDMHWSJBBUJT-GOSISDBHSA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN(C(=O)c1cccc(C[NH+](C)C)c1)C1CCN(CC=C)CC1 ZINC001483989639 1191144582 /nfs/dbraw/zinc/14/45/82/1191144582.db2.gz QPSMBGDOYQBPCT-UHFFFAOYSA-N 1 3 339.483 2.474 10 30 EEEEHO C#CCCN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1CC ZINC001484322605 1191304246 /nfs/dbraw/zinc/30/42/46/1191304246.db2.gz APKVOVKUSUWOEL-YVWKXTFCSA-N 1 3 341.499 2.359 10 30 EEEEHO C#CCCN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1CC ZINC001484322605 1191304247 /nfs/dbraw/zinc/30/42/47/1191304247.db2.gz APKVOVKUSUWOEL-YVWKXTFCSA-N 1 3 341.499 2.359 10 30 EEEEHO C#CCC[N@H+]1CCc2c(CNC(=O)[C@H](C(C)C)N(C)C)cccc2C1 ZINC001484612180 1191437165 /nfs/dbraw/zinc/43/71/65/1191437165.db2.gz MPTLPJCBECTWQZ-FQEVSTJZSA-N 1 3 341.499 2.270 10 30 EEEEHO C#CCC[N@@H+]1CCc2c(CNC(=O)[C@H](C(C)C)N(C)C)cccc2C1 ZINC001484612180 1191437168 /nfs/dbraw/zinc/43/71/68/1191437168.db2.gz MPTLPJCBECTWQZ-FQEVSTJZSA-N 1 3 341.499 2.270 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000876767322 1199765107 /nfs/dbraw/zinc/76/51/07/1199765107.db2.gz GPQHHFQUHQDIGP-JQFCIGGWSA-N 1 3 335.879 2.483 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000876767322 1199765111 /nfs/dbraw/zinc/76/51/11/1199765111.db2.gz GPQHHFQUHQDIGP-JQFCIGGWSA-N 1 3 335.879 2.483 10 30 EEEEHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC#Cc1ccccc1Cl ZINC001274252474 1204977524 /nfs/dbraw/zinc/97/75/24/1204977524.db2.gz VKNUKLOINYHHPZ-YJBOKZPZSA-N 1 3 347.890 2.080 10 30 EEEEHO C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001277369283 1302697964 /nfs/dbraw/zinc/69/79/64/1302697964.db2.gz VUSZPJPYWDTKSB-MOPGFXCFSA-N 1 3 349.519 2.130 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001265869933 1323443452 /nfs/dbraw/zinc/44/34/52/1323443452.db2.gz GEIXMAOKWKBLGC-GOSISDBHSA-N 1 3 341.499 2.243 10 30 EEEEHO C#CCC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCCN2CC)cc1 ZINC001317375908 1332203383 /nfs/dbraw/zinc/20/33/83/1332203383.db2.gz OOUKAMXUSCQENO-FQEVSTJZSA-N 1 3 341.499 2.333 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001318608882 1332567636 /nfs/dbraw/zinc/56/76/36/1332567636.db2.gz ZFQDUWJDRLRGCT-LJQANCHMSA-N 1 3 345.531 2.396 10 30 EEEEHO C=C(Cl)CNCCC[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001675919316 1357070121 /nfs/dbraw/zinc/07/01/21/1357070121.db2.gz GKWZEPCRTBYUSB-HNNXBMFYSA-N 1 3 327.900 2.489 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](C)CC2CCCCCC2)CC1 ZINC001567324329 1342740716 /nfs/dbraw/zinc/74/07/16/1342740716.db2.gz KJSLAHVPHALNPF-UHFFFAOYSA-N 1 3 333.520 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](C)CC2CCCCCC2)CC1 ZINC001567324329 1342740721 /nfs/dbraw/zinc/74/07/21/1342740721.db2.gz KJSLAHVPHALNPF-UHFFFAOYSA-N 1 3 333.520 2.350 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+](CCCCCC)C2)CC1 ZINC001570863290 1343125017 /nfs/dbraw/zinc/12/50/17/1343125017.db2.gz BRNPIEFFCRXDHG-KRWDZBQOSA-N 1 3 333.520 2.348 10 30 EEEEHO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001666458811 1355529152 /nfs/dbraw/zinc/52/91/52/1355529152.db2.gz VQRNJXKLYVPCOJ-CRAIPNDOSA-N 1 3 325.472 2.356 10 30 EEEEHO C=C(Cl)CNCC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001668267777 1355912453 /nfs/dbraw/zinc/91/24/53/1355912453.db2.gz MMRSRKQEILPAHH-AWEZNQCLSA-N 1 3 327.900 2.345 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001672392022 1356513727 /nfs/dbraw/zinc/51/37/27/1356513727.db2.gz HAPGMEVRFUPUEH-VQTJNVASSA-N 1 3 339.483 2.255 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001672392022 1356513734 /nfs/dbraw/zinc/51/37/34/1356513734.db2.gz HAPGMEVRFUPUEH-VQTJNVASSA-N 1 3 339.483 2.255 10 30 EEEEHO CC#CCN1C[C@]2(C)CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001675698239 1357039339 /nfs/dbraw/zinc/03/93/39/1357039339.db2.gz SVXJMTFJHROPDB-OYRHEFFESA-N 1 3 345.531 2.446 10 30 EEEEHO C[C@H](CCC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001675916008 1357069416 /nfs/dbraw/zinc/06/94/16/1357069416.db2.gz RHWTUGMEXSCARJ-MRXNPFEDSA-N 1 3 342.487 2.417 10 30 EEEEHO C=CCN1CCC(NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000917137078 798112447 /nfs/dbraw/zinc/11/24/47/798112447.db2.gz KSFRWNVHKDXEMZ-SFHVURJKSA-N 1 3 345.491 2.024 10 30 EEEEHO C=C(Br)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001437020927 1088812883 /nfs/dbraw/zinc/81/28/83/1088812883.db2.gz LFWFOXYPVBEYCO-UONOGXRCSA-N 1 3 346.313 2.063 10 30 EEEEHO C[C@@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)CN1C(=O)CCC[NH+](C)C ZINC001441828629 1095883363 /nfs/dbraw/zinc/88/33/63/1095883363.db2.gz BMGWMNVOONOMMN-RHSMWYFYSA-N 1 3 346.450 2.118 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC(=C)C)C2)CC1 ZINC001480711714 1106936407 /nfs/dbraw/zinc/93/64/07/1106936407.db2.gz ZUKYYNWFWWERHI-RTBURBONSA-N 1 3 331.504 2.315 10 30 EEEEHO COc1ccc(C#N)cc1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000159936657 533268067 /nfs/dbraw/zinc/26/80/67/533268067.db2.gz DNRXGMLYOYUUHO-HNNXBMFYSA-N 1 3 331.460 2.091 10 30 EEEEHO COCC1(C)CCN(CC#CC[NH+]2CCC(C)(COC)CC2)CC1 ZINC000341910559 465274203 /nfs/dbraw/zinc/27/42/03/465274203.db2.gz SHRFEAAYNASPGM-UHFFFAOYSA-N 1 3 336.520 2.487 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000119454119 462903053 /nfs/dbraw/zinc/90/30/53/462903053.db2.gz GRJHDTNEBFHWHN-UHFFFAOYSA-N 1 3 336.524 2.447 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000594441902 468589574 /nfs/dbraw/zinc/58/95/74/468589574.db2.gz YAWMDXCBIKMZSO-SFHVURJKSA-N 1 3 328.460 2.310 10 30 EEEEHO C=CC[NH+]1CCC(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2)CC1 ZINC000659034582 471477994 /nfs/dbraw/zinc/47/79/94/471477994.db2.gz OSESFEZAKZQWME-GOSISDBHSA-N 1 3 344.459 2.119 10 30 EEEEHO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261992288 677743027 /nfs/dbraw/zinc/74/30/27/677743027.db2.gz ROYLLKWZMHOJNC-QXDIGNSFSA-N 1 3 348.535 2.228 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000899970282 693947854 /nfs/dbraw/zinc/94/78/54/693947854.db2.gz VRDCXYZSGUFQLM-IBGZPJMESA-N 1 3 345.487 2.456 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC=C(C)C)C2)CC1 ZINC001267093662 1178225346 /nfs/dbraw/zinc/22/53/46/1178225346.db2.gz MXNHBHDSABFDDU-RTBURBONSA-N 1 3 331.504 2.315 10 30 EEEEHO CC(C)[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC#Cc1ccccc1 ZINC001268214534 1182023683 /nfs/dbraw/zinc/02/36/83/1182023683.db2.gz YCSQGXUZOHLGGJ-LJQANCHMSA-N 1 3 341.499 2.253 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCCC=C)CC2)CC1 ZINC001482027730 1183156762 /nfs/dbraw/zinc/15/67/62/1183156762.db2.gz NFMMDIPMEDJJES-WGSAOQKQSA-N 1 3 331.504 2.315 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]CC=C(C)C)CC(C)C)CC1 ZINC001271316712 1186136485 /nfs/dbraw/zinc/13/64/85/1186136485.db2.gz ITWKLSZPHIKTOG-IBGZPJMESA-N 1 3 333.520 2.418 10 30 EEEEHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2cc(C#N)ccc2F)C1)N(C)C ZINC001409270099 1188452419 /nfs/dbraw/zinc/45/24/19/1188452419.db2.gz DLARLBXYKNONIM-PVARCSIZSA-N 1 3 346.450 2.022 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC=C)[C@H]2C)CC1 ZINC001486185851 1193726913 /nfs/dbraw/zinc/72/69/13/1193726913.db2.gz DQWJSLCDRCJJJO-PKOBYXMFSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC=C)[C@H]2C)CC1 ZINC001486185851 1193726917 /nfs/dbraw/zinc/72/69/17/1193726917.db2.gz DQWJSLCDRCJJJO-PKOBYXMFSA-N 1 3 331.504 2.267 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000877133515 1199867320 /nfs/dbraw/zinc/86/73/20/1199867320.db2.gz DQXLKRPUNUCFMA-XKQJLSEDSA-N 1 3 335.879 2.341 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000877133515 1199867324 /nfs/dbraw/zinc/86/73/24/1199867324.db2.gz DQXLKRPUNUCFMA-XKQJLSEDSA-N 1 3 335.879 2.341 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CNCC#Cc1ccc(F)cc1 ZINC001491261340 1258860248 /nfs/dbraw/zinc/86/02/48/1258860248.db2.gz QOFZOONOLYACDH-IBGZPJMESA-N 1 3 345.462 2.100 10 30 EEEEHO C#CCN1CCC([C@@H]2CCCN(C(=O)CC[N@@H+](C)CCC)C2)CC1 ZINC001278964208 1318854124 /nfs/dbraw/zinc/85/41/24/1318854124.db2.gz OWYIRPIJJKKGLN-LJQANCHMSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCN1CCC([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001278964208 1318854129 /nfs/dbraw/zinc/85/41/29/1318854129.db2.gz OWYIRPIJJKKGLN-LJQANCHMSA-N 1 3 333.520 2.302 10 30 EEEEHO C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)CCO1 ZINC001280584850 1324317132 /nfs/dbraw/zinc/31/71/32/1324317132.db2.gz UHCAPKBBHGMLNL-QGZVFWFLSA-N 1 3 337.508 2.034 10 30 EEEEHO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](F)CN(CC)CC)C2 ZINC001281088259 1324758775 /nfs/dbraw/zinc/75/87/75/1324758775.db2.gz RIGUXFQKSXJVEQ-WMZOPIPTSA-N 1 3 325.472 2.167 10 30 EEEEHO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](F)CN(CC)CC)C2 ZINC001281088259 1324758778 /nfs/dbraw/zinc/75/87/78/1324758778.db2.gz RIGUXFQKSXJVEQ-WMZOPIPTSA-N 1 3 325.472 2.167 10 30 EEEEHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC#Cc1ccccc1 ZINC001317395179 1332212803 /nfs/dbraw/zinc/21/28/03/1332212803.db2.gz FWDUZXWIZIRCTF-KRWDZBQOSA-N 1 3 327.472 2.007 10 30 EEEEHO C#CCCN1CC[C@H](N(CCC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317769854 1332402854 /nfs/dbraw/zinc/40/28/54/1332402854.db2.gz LVPDXVNRJKRHCB-IBGZPJMESA-N 1 3 333.520 2.443 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1Cl)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001321992142 1333191836 /nfs/dbraw/zinc/19/18/36/1333191836.db2.gz VTUDAYFEHGHKTP-HOTGVXAUSA-N 1 3 347.890 2.128 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1Cl)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001321992142 1333191839 /nfs/dbraw/zinc/19/18/39/1333191839.db2.gz VTUDAYFEHGHKTP-HOTGVXAUSA-N 1 3 347.890 2.128 10 30 EEEEHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@@H]1CCCN(C)C1)C(C)C ZINC001675964488 1357078432 /nfs/dbraw/zinc/07/84/32/1357078432.db2.gz QBUMPRNEMIFAOU-MSOLQXFVSA-N 1 3 336.524 2.421 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001656240661 1354218401 /nfs/dbraw/zinc/21/84/01/1354218401.db2.gz ASPXOZNNELMIGF-SAABIXHNSA-N 1 3 333.520 2.252 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001661511637 1354647697 /nfs/dbraw/zinc/64/76/97/1354647697.db2.gz QSYYFJGJAVZNRC-WGSAOQKQSA-N 1 3 331.504 2.149 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)CN(C)C1CCC1 ZINC001668092142 1355868149 /nfs/dbraw/zinc/86/81/49/1355868149.db2.gz KASGYBGSXGFOOM-HNNXBMFYSA-N 1 3 328.460 2.027 10 30 EEEEHO C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001674429715 1356830690 /nfs/dbraw/zinc/83/06/90/1356830690.db2.gz TVZYAVZNGWZKKR-UYAOXDASSA-N 1 3 327.472 2.420 10 30 EEEEHO C=CCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CN(C)C1CCC1)CC2 ZINC001675701623 1357040496 /nfs/dbraw/zinc/04/04/96/1357040496.db2.gz HPPIDVQJMJFOMP-GOSISDBHSA-N 1 3 349.519 2.034 10 30 EEEEHO C#CCN(C)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001681598366 1358038332 /nfs/dbraw/zinc/03/83/32/1358038332.db2.gz VCITYNDNSPNNAY-IBGZPJMESA-N 1 3 348.535 2.285 10 30 EEEEHO C#CCN(C)CCCNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001681598366 1358038337 /nfs/dbraw/zinc/03/83/37/1358038337.db2.gz VCITYNDNSPNNAY-IBGZPJMESA-N 1 3 348.535 2.285 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857937 779445644 /nfs/dbraw/zinc/44/56/44/779445644.db2.gz HGNCYDLFPNYMKF-ROUUACIJSA-N 1 3 333.520 2.347 10 30 EEEEHO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000940857937 779445647 /nfs/dbraw/zinc/44/56/47/779445647.db2.gz HGNCYDLFPNYMKF-ROUUACIJSA-N 1 3 333.520 2.347 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000909203093 786092277 /nfs/dbraw/zinc/09/22/77/786092277.db2.gz CTPDGXKNRCSBKG-QGZVFWFLSA-N 1 3 329.488 2.475 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@H](C)CNCc1ccc(C#N)s1)[NH+]1CCCC1 ZINC001439182772 1091831014 /nfs/dbraw/zinc/83/10/14/1091831014.db2.gz UARLCXOGSOMBFG-RHSMWYFYSA-N 1 3 348.516 2.334 10 30 EEEEHO C#CCN1CCC[C@@H]2[C@H](NC(=O)CCC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001479610211 1098630665 /nfs/dbraw/zinc/63/06/65/1098630665.db2.gz BYIDIZGCSOZBDG-HOJAQTOUSA-N 1 3 345.531 2.491 10 30 EEEEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001447860162 1103464885 /nfs/dbraw/zinc/46/48/85/1103464885.db2.gz AYVSJAPZLGURMX-HUUCEWRRSA-N 1 3 328.460 2.025 10 30 EEEEHO C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)N3CCCCC3)C[C@@H]21 ZINC001507358782 1115219983 /nfs/dbraw/zinc/21/99/83/1115219983.db2.gz VGQNOZCIHWKXNU-CEXWTWQISA-N 1 3 345.531 2.491 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594439153 468587479 /nfs/dbraw/zinc/58/74/79/468587479.db2.gz SUPOOBAHHYEGCI-RBUKOAKNSA-N 1 3 342.487 2.078 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000594439153 468587483 /nfs/dbraw/zinc/58/74/83/468587483.db2.gz SUPOOBAHHYEGCI-RBUKOAKNSA-N 1 3 342.487 2.078 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602574572 469366460 /nfs/dbraw/zinc/36/64/60/469366460.db2.gz BNTQLUAGQDRSEG-ZWKOTPCHSA-N 1 3 328.460 2.036 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602574572 469366463 /nfs/dbraw/zinc/36/64/63/469366463.db2.gz BNTQLUAGQDRSEG-ZWKOTPCHSA-N 1 3 328.460 2.036 10 30 EEEEHO C=CC[C@@]1(C(=O)NC[C@H]2CCCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662738687 472228549 /nfs/dbraw/zinc/22/85/49/472228549.db2.gz YPVGALISAWRUDG-QUCCMNQESA-N 1 3 327.472 2.466 10 30 EEEEHO C=CC[C@@]1(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000662744993 472231789 /nfs/dbraw/zinc/23/17/89/472231789.db2.gz CJECCBZAZSCHTD-QUCCMNQESA-N 1 3 327.472 2.418 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001266994042 1178050730 /nfs/dbraw/zinc/05/07/30/1178050730.db2.gz IIQLXWRKOFNCEL-QGZVFWFLSA-N 1 3 345.531 2.396 10 30 EEEEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCNCc2cccc(C#N)c2)C1 ZINC001481269441 1180548963 /nfs/dbraw/zinc/54/89/63/1180548963.db2.gz HQLCPRGUASQISL-IBGZPJMESA-N 1 3 342.487 2.228 10 30 EEEEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCNCc2cccc(C#N)c2)C1 ZINC001481269441 1180548969 /nfs/dbraw/zinc/54/89/69/1180548969.db2.gz HQLCPRGUASQISL-IBGZPJMESA-N 1 3 342.487 2.228 10 30 EEEEHO C#CCN1CCC(C(=O)NC2(C[NH2+]CC=C(C)C)CCCC2)CC1 ZINC001481913415 1182938868 /nfs/dbraw/zinc/93/88/68/1182938868.db2.gz UXMYFGKGLFTFKP-UHFFFAOYSA-N 1 3 331.504 2.316 10 30 EEEEHO C#CCC[NH2+]C[C@@](C)(NC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC001481941595 1183000784 /nfs/dbraw/zinc/00/07/84/1183000784.db2.gz VBFPICLTNOXGJG-MOPGFXCFSA-N 1 3 337.483 2.097 10 30 EEEEHO C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001269593018 1184416791 /nfs/dbraw/zinc/41/67/91/1184416791.db2.gz LUEFRAFLUQQGEJ-QRVBRYPASA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001269593018 1184416795 /nfs/dbraw/zinc/41/67/95/1184416795.db2.gz LUEFRAFLUQQGEJ-QRVBRYPASA-N 1 3 349.519 2.129 10 30 EEEEHO CC1CCN(CC(=O)NC/C=C\C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001483078973 1188439314 /nfs/dbraw/zinc/43/93/14/1188439314.db2.gz UKZVPSBUBGCRLU-IHWYPQMZSA-N 1 3 340.471 2.052 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cc(C)sc2C)CC1 ZINC001483197299 1189081802 /nfs/dbraw/zinc/08/18/02/1189081802.db2.gz DYNZEOAHKPNBJT-CQSZACIVSA-N 1 3 347.528 2.304 10 30 EEEEHO CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(F)c(C#N)c2)C1)N(C)C ZINC001485107589 1191656820 /nfs/dbraw/zinc/65/68/20/1191656820.db2.gz XSSRSMDDMCNRTN-PVARCSIZSA-N 1 3 346.450 2.022 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC=C)[C@@H]2C)CC1 ZINC001486185846 1193726982 /nfs/dbraw/zinc/72/69/82/1193726982.db2.gz DQWJSLCDRCJJJO-IEBWSBKVSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCC=C)[C@@H]2C)CC1 ZINC001486185846 1193726984 /nfs/dbraw/zinc/72/69/84/1193726984.db2.gz DQWJSLCDRCJJJO-IEBWSBKVSA-N 1 3 331.504 2.267 10 30 EEEEHO C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)CC(C)(C)C)CCO1 ZINC001276799114 1297874282 /nfs/dbraw/zinc/87/42/82/1297874282.db2.gz HMWJDZGVWOFOHK-DLBZAZTESA-N 1 3 339.524 2.136 10 30 EEEEHO CC(C)(C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1)[NH+]1CCCC1 ZINC001265923719 1323490230 /nfs/dbraw/zinc/49/02/30/1323490230.db2.gz XLAXQTDJTKQPAU-IBGZPJMESA-N 1 3 339.483 2.103 10 30 EEEEHO C=C(Br)CNCC[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001280252451 1324130287 /nfs/dbraw/zinc/13/02/87/1324130287.db2.gz SQEPVOHRVANCTH-CQSZACIVSA-N 1 3 346.313 2.065 10 30 EEEEHO C=C(Br)CNCC[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001280252451 1324130290 /nfs/dbraw/zinc/13/02/90/1324130290.db2.gz SQEPVOHRVANCTH-CQSZACIVSA-N 1 3 346.313 2.065 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001282242146 1325666496 /nfs/dbraw/zinc/66/64/96/1325666496.db2.gz QKWULIGGDLVQLJ-HOTGVXAUSA-N 1 3 333.520 2.251 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001492128833 1330982073 /nfs/dbraw/zinc/98/20/73/1330982073.db2.gz GNDFGXZPIDWYAX-APWZRJJASA-N 1 3 342.487 2.417 10 30 EEEEHO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)CCO1 ZINC001327035046 1334208098 /nfs/dbraw/zinc/20/80/98/1334208098.db2.gz NBYJCJQQHBMSNJ-ZWKOTPCHSA-N 1 3 337.508 2.033 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001567021580 1342681144 /nfs/dbraw/zinc/68/11/44/1342681144.db2.gz MDDYUZSDKHWIOX-IEBWSBKVSA-N 1 3 327.472 2.007 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001567021580 1342681148 /nfs/dbraw/zinc/68/11/48/1342681148.db2.gz MDDYUZSDKHWIOX-IEBWSBKVSA-N 1 3 327.472 2.007 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cccc(CC)c2)CC1 ZINC001662423314 1354794522 /nfs/dbraw/zinc/79/45/22/1354794522.db2.gz BMIFEFPHLBPFOU-KRWDZBQOSA-N 1 3 341.499 2.189 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001666111352 1355454677 /nfs/dbraw/zinc/45/46/77/1355454677.db2.gz RMEHRBNGRDQIGY-OWCLPIDISA-N 1 3 327.900 2.297 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001666111352 1355454679 /nfs/dbraw/zinc/45/46/79/1355454679.db2.gz RMEHRBNGRDQIGY-OWCLPIDISA-N 1 3 327.900 2.297 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001666897611 1355611261 /nfs/dbraw/zinc/61/12/61/1355611261.db2.gz HBUHPIYIRYIPQO-ICSRJNTNSA-N 1 3 341.499 2.347 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001666897611 1355611264 /nfs/dbraw/zinc/61/12/64/1355611264.db2.gz HBUHPIYIRYIPQO-ICSRJNTNSA-N 1 3 341.499 2.347 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CN(C)C1CCC1 ZINC001668092152 1355868059 /nfs/dbraw/zinc/86/80/59/1355868059.db2.gz KGKUWDZKKYRDIU-AWEZNQCLSA-N 1 3 346.450 2.166 10 30 EEEEHO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941076616 779797623 /nfs/dbraw/zinc/79/76/23/779797623.db2.gz YRQRXWXGQPLVLI-QZTJIDSGSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941076616 779797633 /nfs/dbraw/zinc/79/76/33/779797633.db2.gz YRQRXWXGQPLVLI-QZTJIDSGSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CCN(C)CC1 ZINC000913839018 794365190 /nfs/dbraw/zinc/36/51/90/794365190.db2.gz GJZDLQZJZUHIQQ-UHFFFAOYSA-N 1 3 334.508 2.035 10 30 EEEEHO C#CCN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C1CCN(C)CC1 ZINC000914071915 794818684 /nfs/dbraw/zinc/81/86/84/794818684.db2.gz DIXCGFPLMUYJNN-LJQANCHMSA-N 1 3 348.535 2.236 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001439283181 1091941100 /nfs/dbraw/zinc/94/11/00/1091941100.db2.gz CLDFUSHNPHBOHX-XJKSGUPXSA-N 1 3 334.489 2.088 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[NH2+][C@H]2CCc3ccccc32)CC1 ZINC001480596210 1100444880 /nfs/dbraw/zinc/44/48/80/1100444880.db2.gz JHUOCQKGBAFINU-UZLBHIALSA-N 1 3 339.483 2.113 10 30 EEEEHO C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001495509417 1101222181 /nfs/dbraw/zinc/22/21/81/1101222181.db2.gz PLXXMBSIZFWYKS-LJQANCHMSA-N 1 3 327.472 2.290 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1)N(C)C ZINC001497312235 1102298462 /nfs/dbraw/zinc/29/84/62/1102298462.db2.gz NWDZIZCPEVTNKZ-RDTXWAMCSA-N 1 3 348.466 2.268 10 30 EEEEHO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](C)NC(=O)C(C)(C)N1CCCC1 ZINC001447883347 1103510982 /nfs/dbraw/zinc/51/09/82/1103510982.db2.gz JZVMLHPKZLPPOT-CVEARBPZSA-N 1 3 342.487 2.415 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC(=C)C)C2CCCC2)CC1 ZINC001500130413 1112631221 /nfs/dbraw/zinc/63/12/21/1112631221.db2.gz FDTXENAFXFJBRW-IBGZPJMESA-N 1 3 331.504 2.172 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2=CC[N@H+]([C@H](C)CCC=C)CC2)CC1 ZINC001508229454 1115454527 /nfs/dbraw/zinc/45/45/27/1115454527.db2.gz KZRDHCCGADKBMA-GOSISDBHSA-N 1 3 343.515 2.435 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2=CC[N@@H+]([C@H](C)CCC=C)CC2)CC1 ZINC001508229454 1115454531 /nfs/dbraw/zinc/45/45/31/1115454531.db2.gz KZRDHCCGADKBMA-GOSISDBHSA-N 1 3 343.515 2.435 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@H](C)CNCC#Cc1ccccc1)[NH+]1CCCC1 ZINC001569038038 1125058346 /nfs/dbraw/zinc/05/83/46/1125058346.db2.gz FDDXAJIDJARSCH-UYAOXDASSA-N 1 3 341.499 2.253 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCC=C)CC1 ZINC001569176203 1125146796 /nfs/dbraw/zinc/14/67/96/1125146796.db2.gz ZHVDEVWQNALRJL-RBUKOAKNSA-N 1 3 331.504 2.172 10 30 EEEEHO CCN1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181527096 527742092 /nfs/dbraw/zinc/74/20/92/527742092.db2.gz GDIUJYMXQXAVSA-IBGZPJMESA-N 1 3 326.488 2.454 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000899952481 693938760 /nfs/dbraw/zinc/93/87/60/693938760.db2.gz HDPUCWNISRTSSD-LJQANCHMSA-N 1 3 345.487 2.456 10 30 EEEEHO C[C@H](CCCNCc1cc(C#N)ccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485748162 1191930433 /nfs/dbraw/zinc/93/04/33/1191930433.db2.gz KVXYWXDMSCCSGC-ZBFHGGJFSA-N 1 3 346.450 2.024 10 30 EEEEHO C[C@H](CCCNCc1cc(C#N)ccc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485748162 1191930437 /nfs/dbraw/zinc/93/04/37/1191930437.db2.gz KVXYWXDMSCCSGC-ZBFHGGJFSA-N 1 3 346.450 2.024 10 30 EEEEHO C#CCN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001691427883 1178316048 /nfs/dbraw/zinc/31/60/48/1178316048.db2.gz GLXFZYXQGNMJPC-NZSAHSFTSA-N 1 3 331.504 2.101 10 30 EEEEHO CN(CCNCc1ccc(C#N)c(F)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267386308 1178946630 /nfs/dbraw/zinc/94/66/30/1178946630.db2.gz CFQXTZZRDNAYBK-QGZVFWFLSA-N 1 3 346.450 2.120 10 30 EEEEHO CN(CCNCc1ccc(C#N)c(F)c1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001267386308 1178946634 /nfs/dbraw/zinc/94/66/34/1178946634.db2.gz CFQXTZZRDNAYBK-QGZVFWFLSA-N 1 3 346.450 2.120 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H]([NH2+]CC(=C)C)c2ccccc2)CC1 ZINC001267526106 1179267225 /nfs/dbraw/zinc/26/72/25/1179267225.db2.gz KYQPDNWLQNDSLN-HXUWFJFHSA-N 1 3 339.483 2.355 10 30 EEEEHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1)N(C)C ZINC001268798522 1183717755 /nfs/dbraw/zinc/71/77/55/1183717755.db2.gz KXKPWSJJCQQDSC-IBGZPJMESA-N 1 3 329.488 2.062 10 30 EEEEHO C#CCN1CCC(C(=O)NCc2ccc(C[NH2+]CCC)cc2)CC1 ZINC001270089079 1184837574 /nfs/dbraw/zinc/83/75/74/1184837574.db2.gz YGNBARQZNPEVTQ-UHFFFAOYSA-N 1 3 327.472 2.148 10 30 EEEEHO C[C@@H](CNCC#Cc1ccccc1)NC(=O)CCCC[NH+]1CCCC1 ZINC001483298461 1190320704 /nfs/dbraw/zinc/32/07/04/1190320704.db2.gz GXHOEYCLKSIODK-IBGZPJMESA-N 1 3 341.499 2.399 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]CC(C)C)C2CCCC2)CC1 ZINC001484013860 1191155885 /nfs/dbraw/zinc/15/58/85/1191155885.db2.gz FDNQMRZTNZSWKD-IBGZPJMESA-N 1 3 333.520 2.252 10 30 EEEEHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001484385413 1191325925 /nfs/dbraw/zinc/32/59/25/1191325925.db2.gz ZGIJWKZNZZNNIN-LPHOPBHVSA-N 1 3 342.487 2.083 10 30 EEEEHO C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001265407137 1323135749 /nfs/dbraw/zinc/13/57/49/1323135749.db2.gz RDEIBAFQOZYJRT-YSHGAJCASA-N 1 3 331.504 2.358 10 30 EEEEHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001281721772 1325412678 /nfs/dbraw/zinc/41/26/78/1325412678.db2.gz FPUQCBMGFBMIOT-INIZCTEOSA-N 1 3 345.462 2.146 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001282494896 1325732407 /nfs/dbraw/zinc/73/24/07/1325732407.db2.gz COBFQAZGVBJJOM-MRXNPFEDSA-N 1 3 333.520 2.204 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001282494896 1325732410 /nfs/dbraw/zinc/73/24/10/1325732410.db2.gz COBFQAZGVBJJOM-MRXNPFEDSA-N 1 3 333.520 2.204 10 30 EEEEHO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001282880040 1325820768 /nfs/dbraw/zinc/82/07/68/1325820768.db2.gz ZULOTXJLWFFCPM-OAFZBRQQSA-N 1 3 337.483 2.069 10 30 EEEEHO C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001282880040 1325820770 /nfs/dbraw/zinc/82/07/70/1325820770.db2.gz ZULOTXJLWFFCPM-OAFZBRQQSA-N 1 3 337.483 2.069 10 30 EEEEHO C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(CN(C)C)c1 ZINC001319867858 1332788789 /nfs/dbraw/zinc/78/87/89/1332788789.db2.gz HAUFOEKRCSMMJX-APWZRJJASA-N 1 3 327.472 2.212 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCc2cccs2)CC1 ZINC001329625863 1334686836 /nfs/dbraw/zinc/68/68/36/1334686836.db2.gz YDHUGOMGDAQCDA-MRXNPFEDSA-N 1 3 347.528 2.072 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCc2cccs2)CC1 ZINC001329625863 1334686840 /nfs/dbraw/zinc/68/68/40/1334686840.db2.gz YDHUGOMGDAQCDA-MRXNPFEDSA-N 1 3 347.528 2.072 10 30 EEEEHO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001668214022 1355900788 /nfs/dbraw/zinc/90/07/88/1355900788.db2.gz HMHXOLVVWGKALA-CZUORRHYSA-N 1 3 333.879 2.436 10 30 EEEEHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1)N(C)C ZINC001566795453 1342630688 /nfs/dbraw/zinc/63/06/88/1342630688.db2.gz UEKXUJDPSDIHOF-FHWLQOOXSA-N 1 3 345.462 2.000 10 30 EEEEHO CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CN(C)CC(C)(C)C)C[C@H]21 ZINC001676845665 1357219196 /nfs/dbraw/zinc/21/91/96/1357219196.db2.gz MBHZRIHKKPTKDH-KZNAEPCWSA-N 1 3 333.520 2.204 10 30 EEEEHO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001672433299 1356522072 /nfs/dbraw/zinc/52/20/72/1356522072.db2.gz BYRKEZLEJYLXKX-GBESFXJTSA-N 1 3 333.520 2.465 10 30 EEEEHO C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)CN3CC[C@H](C)C3)C[C@H]2C1 ZINC001672433299 1356522074 /nfs/dbraw/zinc/52/20/74/1356522074.db2.gz BYRKEZLEJYLXKX-GBESFXJTSA-N 1 3 333.520 2.465 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCC2CCC2)CC1 ZINC001674771922 1356893999 /nfs/dbraw/zinc/89/39/99/1356893999.db2.gz COUBZSHOFQFBGV-IRXDYDNUSA-N 1 3 333.520 2.395 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)C1(N(C)C)CCC1 ZINC001699105385 1405259659 /nfs/dbraw/zinc/25/96/59/1405259659.db2.gz GHHKNRSNVKOSMG-HNNXBMFYSA-N 1 3 328.460 2.027 10 30 EEEEHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001437214497 1089295705 /nfs/dbraw/zinc/29/57/05/1089295705.db2.gz LMWCPMYKFUEAML-YOEHRIQHSA-N 1 3 348.516 2.477 10 30 EEEEHO C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)NCc1ccc(C#N)s1 ZINC001441584832 1095400062 /nfs/dbraw/zinc/40/00/62/1095400062.db2.gz KOBATGLPHGYKIS-CQSZACIVSA-N 1 3 348.516 2.431 10 30 EEEEHO CCCN(C)CC(=O)NC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C1CC1 ZINC001480058672 1099581144 /nfs/dbraw/zinc/58/11/44/1099581144.db2.gz RQYCRMKCMLPOGB-IBGZPJMESA-N 1 3 345.462 2.003 10 30 EEEEHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001480492443 1100304057 /nfs/dbraw/zinc/30/40/57/1100304057.db2.gz KLPBFRHICBWKDV-PBHICJAKSA-N 1 3 348.516 2.334 10 30 EEEEHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCc1ccc(C#N)s1 ZINC001480492443 1100304065 /nfs/dbraw/zinc/30/40/65/1100304065.db2.gz KLPBFRHICBWKDV-PBHICJAKSA-N 1 3 348.516 2.334 10 30 EEEEHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCc1ccc(F)c(C#N)c1 ZINC001480527932 1100358736 /nfs/dbraw/zinc/35/87/36/1100358736.db2.gz YFBJAFMKFMIYLW-DZKIICNBSA-N 1 3 346.450 2.022 10 30 EEEEHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCc1ccc(F)c(C#N)c1 ZINC001480527932 1100358746 /nfs/dbraw/zinc/35/87/46/1100358746.db2.gz YFBJAFMKFMIYLW-DZKIICNBSA-N 1 3 346.450 2.022 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001494876487 1104486635 /nfs/dbraw/zinc/48/66/35/1104486635.db2.gz PQFLYQTYUQVWFF-SFHVURJKSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCCCCF)C2)CC1 ZINC001494876487 1104486638 /nfs/dbraw/zinc/48/66/38/1104486638.db2.gz PQFLYQTYUQVWFF-SFHVURJKSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001480832668 1107229443 /nfs/dbraw/zinc/22/94/43/1107229443.db2.gz DRUXGCVMLIMYQZ-FQEVSTJZSA-N 1 3 345.531 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001480832668 1107229450 /nfs/dbraw/zinc/22/94/50/1107229450.db2.gz DRUXGCVMLIMYQZ-FQEVSTJZSA-N 1 3 345.531 2.493 10 30 EEEEHO C=CCN1CCC(N(Cc2ccccn2)C(=O)CC[NH+](C)C)CC1 ZINC001501203080 1113240218 /nfs/dbraw/zinc/24/02/18/1113240218.db2.gz NKRKRTLJENUYBF-UHFFFAOYSA-N 1 3 330.476 2.012 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2cccc(F)c2)CC1 ZINC001505760017 1114174058 /nfs/dbraw/zinc/17/40/58/1114174058.db2.gz FFZZXKXDQRCOAK-JKSUJKDBSA-N 1 3 345.462 2.154 10 30 EEEEHO C[C@H](CCCNCc1ccccc1C#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001506938058 1114987562 /nfs/dbraw/zinc/98/75/62/1114987562.db2.gz JXKKVSCYIOOTDR-DLBZAZTESA-N 1 3 342.487 2.275 10 30 EEEEHO C[C@H](CCCNCc1ccccc1C#N)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001506938058 1114987563 /nfs/dbraw/zinc/98/75/63/1114987563.db2.gz JXKKVSCYIOOTDR-DLBZAZTESA-N 1 3 342.487 2.275 10 30 EEEEHO C#CCC[NH2+][C@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC001507445374 1115273564 /nfs/dbraw/zinc/27/35/64/1115273564.db2.gz BEFQGXOYFKSSTO-KXBFYZLASA-N 1 3 337.483 2.049 10 30 EEEEHO C#CCC[NH2+][C@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1(C)C ZINC001507445373 1115273617 /nfs/dbraw/zinc/27/36/17/1115273617.db2.gz BEFQGXOYFKSSTO-HNAYVOBHSA-N 1 3 337.483 2.049 10 30 EEEEHO C#CCN1CC2(C1)CCN(C(=O)[C@H](c1ccccc1)[N@@H+](C)CC)CC2 ZINC001568253154 1124387696 /nfs/dbraw/zinc/38/76/96/1124387696.db2.gz ZABDUHPSLTXCIS-IBGZPJMESA-N 1 3 339.483 2.237 10 30 EEEEHO C#CCN1CC2(C1)CCN(C(=O)[C@H](c1ccccc1)[N@H+](C)CC)CC2 ZINC001568253154 1124387702 /nfs/dbraw/zinc/38/77/02/1124387702.db2.gz ZABDUHPSLTXCIS-IBGZPJMESA-N 1 3 339.483 2.237 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001568291191 1124407762 /nfs/dbraw/zinc/40/77/62/1124407762.db2.gz DPNWGYVJAPVULO-GOSISDBHSA-N 1 3 341.499 2.349 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001568713986 1124731755 /nfs/dbraw/zinc/73/17/55/1124731755.db2.gz MLUVNMFAQATSOG-QUCCMNQESA-N 1 3 341.499 2.397 10 30 EEEEHO CC(C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000356786896 465539777 /nfs/dbraw/zinc/53/97/77/465539777.db2.gz WBAAAZXZQMXEQP-AEFFLSMTSA-N 1 3 341.455 2.191 10 30 EEEEHO CC(C#N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000356786896 465539782 /nfs/dbraw/zinc/53/97/82/465539782.db2.gz WBAAAZXZQMXEQP-AEFFLSMTSA-N 1 3 341.455 2.191 10 30 EEEEHO C(#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366941212 466029801 /nfs/dbraw/zinc/02/98/01/466029801.db2.gz AIBLJCQBVDQYOC-ZRNYENFQSA-N 1 3 332.488 2.277 10 30 EEEEHO C(#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000366941212 466029809 /nfs/dbraw/zinc/02/98/09/466029809.db2.gz AIBLJCQBVDQYOC-ZRNYENFQSA-N 1 3 332.488 2.277 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)CC[NH2+]Cc2cccc(C)c2)CC1 ZINC001482900519 1187812909 /nfs/dbraw/zinc/81/29/09/1187812909.db2.gz CMEBNWAMLVGBAF-SFHVURJKSA-N 1 3 341.499 2.325 10 30 EEEEHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001483272246 1190296261 /nfs/dbraw/zinc/29/62/61/1190296261.db2.gz PYBRFRJOAXKTRZ-YOEHRIQHSA-N 1 3 348.516 2.477 10 30 EEEEHO C=C(Cl)CNC[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001411215789 1198924499 /nfs/dbraw/zinc/92/44/99/1198924499.db2.gz WRGCEFPGUZWIQM-GJZGRUSLSA-N 1 3 327.900 2.201 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000876967840 1199832392 /nfs/dbraw/zinc/83/23/92/1199832392.db2.gz MCPFGLJSDLQSOX-SJORKVTESA-N 1 3 335.879 2.232 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000876967840 1199832397 /nfs/dbraw/zinc/83/23/97/1199832397.db2.gz MCPFGLJSDLQSOX-SJORKVTESA-N 1 3 335.879 2.232 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CC=C(Cl)Cl)CC1 ZINC001274841602 1205187384 /nfs/dbraw/zinc/18/73/84/1205187384.db2.gz WMUUOQRGDYHHON-ZDUSSCGKSA-N 1 3 346.302 2.135 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001275407808 1205344492 /nfs/dbraw/zinc/34/44/92/1205344492.db2.gz WFCPBGQHPVJWFG-DOTOQJQBSA-N 1 3 347.890 2.128 10 30 EEEEHO C[C@@H](CNCC#Cc1ccc(Cl)cc1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001275407808 1205344494 /nfs/dbraw/zinc/34/44/94/1205344494.db2.gz WFCPBGQHPVJWFG-DOTOQJQBSA-N 1 3 347.890 2.128 10 30 EEEEHO C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001691861430 1277986631 /nfs/dbraw/zinc/98/66/31/1277986631.db2.gz WPSGNKVQCGIVBD-RTBURBONSA-N 1 3 333.520 2.445 10 30 EEEEHO C#CCCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001691861430 1277986635 /nfs/dbraw/zinc/98/66/35/1277986635.db2.gz WPSGNKVQCGIVBD-RTBURBONSA-N 1 3 333.520 2.445 10 30 EEEEHO CC#CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCCN2C)CC1 ZINC001273807817 1286205135 /nfs/dbraw/zinc/20/51/35/1286205135.db2.gz UDSWUWPQWSZXSE-LJQANCHMSA-N 1 3 333.520 2.493 10 30 EEEEHO CC#CC[NH2+]C[C@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C(C)(C)C ZINC001279002891 1318970218 /nfs/dbraw/zinc/97/02/18/1318970218.db2.gz QVIMCUMMBSXGOV-HNAYVOBHSA-N 1 3 339.499 2.343 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001264194521 1322660889 /nfs/dbraw/zinc/66/08/89/1322660889.db2.gz AJOIFTRYFHXSQK-IAGOWNOFSA-N 1 3 339.524 2.136 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)N(C)C)CC(C)(C)C1 ZINC001264194521 1322660893 /nfs/dbraw/zinc/66/08/93/1322660893.db2.gz AJOIFTRYFHXSQK-IAGOWNOFSA-N 1 3 339.524 2.136 10 30 EEEEHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C#N)ccc1F)N(C)C ZINC001320607305 1332920313 /nfs/dbraw/zinc/92/03/13/1332920313.db2.gz IUPXKSYEXIDRGC-SUMWQHHRSA-N 1 3 334.439 2.022 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C\C[NH2+]CCCC(C)(C)C)CC1 ZINC001321416930 1333098579 /nfs/dbraw/zinc/09/85/79/1333098579.db2.gz MNCUQVQPDQGOIW-SREVYHEPSA-N 1 3 333.520 2.420 10 30 EEEEHO C=C(C)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001333023139 1335949747 /nfs/dbraw/zinc/94/97/47/1335949747.db2.gz YFJYKZKHSBVCBR-UONOGXRCSA-N 1 3 335.414 2.273 10 30 EEEEHO C=C(C)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C(F)(F)F ZINC001333023139 1335949748 /nfs/dbraw/zinc/94/97/48/1335949748.db2.gz YFJYKZKHSBVCBR-UONOGXRCSA-N 1 3 335.414 2.273 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@@H](C)CC(C)C)C2)CC1 ZINC001506678560 1342311334 /nfs/dbraw/zinc/31/13/34/1342311334.db2.gz JPTOGBQZJCYFEW-ROUUACIJSA-N 1 3 347.547 2.450 10 30 EEEEHO CC#CCN1C[C@]2(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001571064283 1343159276 /nfs/dbraw/zinc/15/92/76/1343159276.db2.gz OFEWRDXESCRSBZ-RLLQIKCJSA-N 1 3 333.520 2.301 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001664241858 1355120504 /nfs/dbraw/zinc/12/05/04/1355120504.db2.gz XCDPWRDIGAXHBV-YOEHRIQHSA-N 1 3 346.500 2.185 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001664241858 1355120509 /nfs/dbraw/zinc/12/05/09/1355120509.db2.gz XCDPWRDIGAXHBV-YOEHRIQHSA-N 1 3 346.500 2.185 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CC=C(C)C)CC1 ZINC001674499406 1356848245 /nfs/dbraw/zinc/84/82/45/1356848245.db2.gz IBRDKJJMZFMYHO-IBGZPJMESA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CC=C(C)C)CC1 ZINC001674499406 1356848249 /nfs/dbraw/zinc/84/82/49/1356848249.db2.gz IBRDKJJMZFMYHO-IBGZPJMESA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941076614 779797344 /nfs/dbraw/zinc/79/73/44/779797344.db2.gz YRQRXWXGQPLVLI-MSOLQXFVSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C(C)(C)C1 ZINC000941076614 779797351 /nfs/dbraw/zinc/79/73/51/779797351.db2.gz YRQRXWXGQPLVLI-MSOLQXFVSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)CC2(C)C)CC1 ZINC000941237517 780225741 /nfs/dbraw/zinc/22/57/41/780225741.db2.gz OEJWYSPURKOFME-IBGZPJMESA-N 1 3 345.531 2.348 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC3CCC3)CC2(C)C)CC1 ZINC000941237517 780225748 /nfs/dbraw/zinc/22/57/48/780225748.db2.gz OEJWYSPURKOFME-IBGZPJMESA-N 1 3 345.531 2.348 10 30 EEEEHO C[C@H](CNCc1ccc(C#N)c(F)c1)NC(=O)CCC[NH+]1CCCC1 ZINC001445504455 1091282191 /nfs/dbraw/zinc/28/21/91/1091282191.db2.gz VSFDTJGYHJHZLK-OAHLLOKOSA-N 1 3 346.450 2.168 10 30 EEEEHO C[NH+](C)CCC(=O)NC[C@H](NCC#Cc1ccc(Cl)cc1)C1CC1 ZINC001480045371 1099548075 /nfs/dbraw/zinc/54/80/75/1099548075.db2.gz WNAZRAQWWBTBBA-SFHVURJKSA-N 1 3 347.890 2.128 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)[C@@H](C)C1 ZINC001444797761 1099712674 /nfs/dbraw/zinc/71/26/74/1099712674.db2.gz WQXPRVXQZBLNMU-LPHOPBHVSA-N 1 3 342.487 2.225 10 30 EEEEHO C[C@@H](NCc1ccccc1C#N)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444826778 1099771749 /nfs/dbraw/zinc/77/17/49/1099771749.db2.gz YTNNMQNOURMDQE-APWZRJJASA-N 1 3 342.487 2.227 10 30 EEEEHO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001447860158 1103464000 /nfs/dbraw/zinc/46/40/00/1103464000.db2.gz AYVSJAPZLGURMX-CABCVRRESA-N 1 3 328.460 2.025 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001498197827 1107068231 /nfs/dbraw/zinc/06/82/31/1107068231.db2.gz WWKVENXRWFNZHD-MAUKXSAKSA-N 1 3 328.460 2.027 10 30 EEEEHO C#CCC[NH+]1CCC(C)(NC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001499997929 1112571698 /nfs/dbraw/zinc/57/16/98/1112571698.db2.gz XLJBLCZJFURCHX-IBGZPJMESA-N 1 3 337.483 2.193 10 30 EEEEHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sccc1C#N ZINC000101518378 285250260 /nfs/dbraw/zinc/25/02/60/285250260.db2.gz INHGFQDUNHHGNV-OAHLLOKOSA-N 1 3 334.489 2.108 10 30 EEEEHO CN(C)CC1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000570794798 319698268 /nfs/dbraw/zinc/69/82/68/319698268.db2.gz HLAFGEMFDYJBCT-UHFFFAOYSA-N 1 3 349.500 2.042 10 30 EEEEHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594438654 468587620 /nfs/dbraw/zinc/58/76/20/468587620.db2.gz PHLPYIJAQNJHMS-QRQLOZEOSA-N 1 3 342.487 2.424 10 30 EEEEHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](N)CCCCC#N ZINC000594438654 468587623 /nfs/dbraw/zinc/58/76/23/468587623.db2.gz PHLPYIJAQNJHMS-QRQLOZEOSA-N 1 3 342.487 2.424 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000594441208 468589567 /nfs/dbraw/zinc/58/95/67/468589567.db2.gz OUJPYJMHVLKWDQ-GOSISDBHSA-N 1 3 328.460 2.310 10 30 EEEEHO CC[NH+]=C(NCc1ncccc1C)N[C@H]1CCN(C2CCCC2)C1 ZINC000097013646 693254382 /nfs/dbraw/zinc/25/43/82/693254382.db2.gz VRAQNGBUDRPIEJ-INIZCTEOSA-N 1 3 329.492 2.462 10 30 EEEEHO C#CCN1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001266891841 1177728837 /nfs/dbraw/zinc/72/88/37/1177728837.db2.gz RQCULUFKPZULOY-MSOLQXFVSA-N 1 3 333.520 2.348 10 30 EEEEHO CC(C)[N@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1ccc(C#N)s1 ZINC001267307777 1178730462 /nfs/dbraw/zinc/73/04/62/1178730462.db2.gz GZTIALMLFDJJAF-QGZVFWFLSA-N 1 3 348.516 2.431 10 30 EEEEHO CC(C)[N@@H+](CCCNC(=O)[C@H]1CCCN1C)Cc1ccc(C#N)s1 ZINC001267307777 1178730467 /nfs/dbraw/zinc/73/04/67/1178730467.db2.gz GZTIALMLFDJJAF-QGZVFWFLSA-N 1 3 348.516 2.431 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001267390954 1178956985 /nfs/dbraw/zinc/95/69/85/1178956985.db2.gz XDCQEZSFIOIORO-WMLDXEAASA-N 1 3 346.500 2.185 10 30 EEEEHO CN(CCNCc1ccc(C#N)s1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001267390954 1178956989 /nfs/dbraw/zinc/95/69/89/1178956989.db2.gz XDCQEZSFIOIORO-WMLDXEAASA-N 1 3 346.500 2.185 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC=C)[C@H]2C)CC1 ZINC001486185844 1193726646 /nfs/dbraw/zinc/72/66/46/1193726646.db2.gz DQWJSLCDRCJJJO-HKUYNNGSSA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCC=C)[C@H]2C)CC1 ZINC001486185844 1193726649 /nfs/dbraw/zinc/72/66/49/1193726649.db2.gz DQWJSLCDRCJJJO-HKUYNNGSSA-N 1 3 331.504 2.267 10 30 EEEEHO C=CCOCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001273437016 1198917652 /nfs/dbraw/zinc/91/76/52/1198917652.db2.gz GYEXVXFAMFHKFQ-KRWDZBQOSA-N 1 3 337.508 2.034 10 30 EEEEHO C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)N2CCCC2)CC1 ZINC001273437016 1198917653 /nfs/dbraw/zinc/91/76/53/1198917653.db2.gz GYEXVXFAMFHKFQ-KRWDZBQOSA-N 1 3 337.508 2.034 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001274023331 1204328988 /nfs/dbraw/zinc/32/89/88/1204328988.db2.gz CJFQQMLQOSNLMK-GNAXCBTBSA-N 1 3 340.471 2.193 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccc(C#N)cc1 ZINC001274023331 1204328992 /nfs/dbraw/zinc/32/89/92/1204328992.db2.gz CJFQQMLQOSNLMK-GNAXCBTBSA-N 1 3 340.471 2.193 10 30 EEEEHO CN(C)CCN(CCCc1ccccc1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852883030 1292224092 /nfs/dbraw/zinc/22/40/92/1292224092.db2.gz DSUOUIQMYHDMCK-UHFFFAOYSA-N 1 3 341.499 2.012 10 30 EEEEHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC#Cc2ccc(F)cc2)C1)N(C)C ZINC001264437243 1322701927 /nfs/dbraw/zinc/70/19/27/1322701927.db2.gz XOPDBNPFHHSQEL-WDSOQIARSA-N 1 3 345.462 2.002 10 30 EEEEHO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001265558313 1323219519 /nfs/dbraw/zinc/21/95/19/1323219519.db2.gz UYHZBIFUHWQNKM-RVKKMQEKSA-N 1 3 325.472 2.402 10 30 EEEEHO CC[C@@H](C(=O)N[C@@H](C)CCC[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001283239849 1325967015 /nfs/dbraw/zinc/96/70/15/1325967015.db2.gz POZCRWPUKCRFBO-LPHOPBHVSA-N 1 3 347.478 2.392 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001492128834 1330982118 /nfs/dbraw/zinc/98/21/18/1330982118.db2.gz GNDFGXZPIDWYAX-VQIMIIECSA-N 1 3 342.487 2.417 10 30 EEEEHO C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001317157494 1332104319 /nfs/dbraw/zinc/10/43/19/1332104319.db2.gz JBXHWSGPKIFJDH-QAPCUYQASA-N 1 3 325.472 2.213 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1Cl)N(C)C(=O)CC[NH+](C)C ZINC001319525379 1332716027 /nfs/dbraw/zinc/71/60/27/1332716027.db2.gz NTPVEWPYIXRLTE-OAHLLOKOSA-N 1 3 335.879 2.080 10 30 EEEEHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC#Cc1ccc(Cl)cc1 ZINC001676480451 1357155152 /nfs/dbraw/zinc/15/51/52/1357155152.db2.gz BNPVHVIWPZCEQE-WBVHZDCISA-N 1 3 347.890 2.080 10 30 EEEEHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC#Cc1ccc(Cl)cc1 ZINC001676480451 1357155155 /nfs/dbraw/zinc/15/51/55/1357155155.db2.gz BNPVHVIWPZCEQE-WBVHZDCISA-N 1 3 347.890 2.080 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC=C(C)C)CCCC2)CC1 ZINC001666808142 1355593683 /nfs/dbraw/zinc/59/36/83/1355593683.db2.gz AMNBSFXOPHYPMT-UHFFFAOYSA-N 1 3 331.504 2.316 10 30 EEEEHO C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CN(C)C1CCC1 ZINC001668092153 1355868389 /nfs/dbraw/zinc/86/83/89/1355868389.db2.gz KGKUWDZKKYRDIU-CQSZACIVSA-N 1 3 346.450 2.166 10 30 EEEEHO CCCN(C)CC(=O)N1CC[C@](C)(C[NH2+]CC#Cc2ccccc2)C1 ZINC001671805069 1356418353 /nfs/dbraw/zinc/41/83/53/1356418353.db2.gz LJNAUYBNHKUDMS-OAQYLSRUSA-N 1 3 341.499 2.208 10 30 EEEEHO C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001673376759 1356679592 /nfs/dbraw/zinc/67/95/92/1356679592.db2.gz UWMOZSABUCNKFQ-ROUUACIJSA-N 1 3 337.508 2.033 10 30 EEEEHO C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001673376759 1356679594 /nfs/dbraw/zinc/67/95/94/1356679594.db2.gz UWMOZSABUCNKFQ-ROUUACIJSA-N 1 3 337.508 2.033 10 30 EEEEHO C#CCN(C)CCCNC(=O)N(CCC)CC[NH+]1CCCCCC1 ZINC001682964629 1358178993 /nfs/dbraw/zinc/17/89/93/1358178993.db2.gz WLLYNRFJDNQUPL-UHFFFAOYSA-N 1 3 336.524 2.239 10 30 EEEEHO C=C(Br)CNCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001699113237 1405268352 /nfs/dbraw/zinc/26/83/52/1405268352.db2.gz OZEJIRLFQLCORQ-ZDUSSCGKSA-N 1 3 344.297 2.008 10 30 EEEEHO C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001699680976 1405437872 /nfs/dbraw/zinc/43/78/72/1405437872.db2.gz VAUYTNVVPFVOKY-QYZOEREBSA-N 1 3 349.519 2.127 10 30 EEEEHO C=CCOCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699680976 1405437876 /nfs/dbraw/zinc/43/78/76/1405437876.db2.gz VAUYTNVVPFVOKY-QYZOEREBSA-N 1 3 349.519 2.127 10 30 EEEEHO C=CCC[NH+]1CCC2(CO[C@H](CNC(=O)C3(N(C)C)CCC3)C2)CC1 ZINC001699775012 1405481789 /nfs/dbraw/zinc/48/17/89/1405481789.db2.gz GJHNSOQTAWCCNG-KRWDZBQOSA-N 1 3 349.519 2.034 10 30 EEEEHO C#CCNCCN(Cc1ccccc1)C(=O)CC[NH+]1CCCCC1 ZINC001699983549 1405627628 /nfs/dbraw/zinc/62/76/28/1405627628.db2.gz KMWFCPNQMHEMKH-UHFFFAOYSA-N 1 3 327.472 2.114 10 30 EEEEHO CC#CCN1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000941075407 779795037 /nfs/dbraw/zinc/79/50/37/779795037.db2.gz KMYWNOHNQYZARX-ZWKOTPCHSA-N 1 3 333.520 2.491 10 30 EEEEHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440928404 1094180542 /nfs/dbraw/zinc/18/05/42/1094180542.db2.gz JIZJYDZDQSUBMZ-APWZRJJASA-N 1 3 342.487 2.369 10 30 EEEEHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)Cc1ccc(C#N)cc1 ZINC001440928404 1094180545 /nfs/dbraw/zinc/18/05/45/1094180545.db2.gz JIZJYDZDQSUBMZ-APWZRJJASA-N 1 3 342.487 2.369 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001441903445 1096066850 /nfs/dbraw/zinc/06/68/50/1096066850.db2.gz UESJFFAIJYXGHP-RBUKOAKNSA-N 1 3 342.487 2.273 10 30 EEEEHO C[C@H](CNC(=O)CC[NH+]1CCCCC1)NCc1ccc(C#N)c(F)c1 ZINC001442110272 1096335682 /nfs/dbraw/zinc/33/56/82/1096335682.db2.gz GWULQCYEBFCIHL-OAHLLOKOSA-N 1 3 346.450 2.168 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@@](C)(CNCc1cc(C#N)ccc1F)C1CC1 ZINC001444122886 1098656623 /nfs/dbraw/zinc/65/66/23/1098656623.db2.gz DOMGNBXAGSLZGF-IBGZPJMESA-N 1 3 346.450 2.024 10 30 EEEEHO C#CC[NH+]1CCC(CCNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001568130286 1124319181 /nfs/dbraw/zinc/31/91/81/1124319181.db2.gz QZDQNBGKVZPGKU-IBGZPJMESA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)N2CCCCC2)C1 ZINC001568407687 1124476927 /nfs/dbraw/zinc/47/69/27/1124476927.db2.gz TUDDXZNWUVSRMA-MSOLQXFVSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001568545445 1124604669 /nfs/dbraw/zinc/60/46/69/1124604669.db2.gz QEXAHMUZWSJKKR-OALUTQOASA-N 1 3 331.504 2.006 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000594444378 468590408 /nfs/dbraw/zinc/59/04/08/468590408.db2.gz QCUXLHGASAXIOT-CGTJXYLNSA-N 1 3 346.450 2.046 10 30 EEEEHO C[NH+]1CCC2(CCN(C(=O)C(C#N)Cc3ccc(C#N)cc3)C2)CC1 ZINC000597668365 468632415 /nfs/dbraw/zinc/63/24/15/468632415.db2.gz WAAVXOIDAZQSKF-SFHVURJKSA-N 1 3 336.439 2.185 10 30 EEEEHO Cc1cc(C#N)cc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1 ZINC000596928093 469411079 /nfs/dbraw/zinc/41/10/79/469411079.db2.gz MOUPNYPBBOYZEX-HNNXBMFYSA-N 1 3 331.464 2.260 10 30 EEEEHO Cc1cc(C#N)cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1 ZINC000596928093 469411082 /nfs/dbraw/zinc/41/10/82/469411082.db2.gz MOUPNYPBBOYZEX-HNNXBMFYSA-N 1 3 331.464 2.260 10 30 EEEEHO C=CCN1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659449950 471634589 /nfs/dbraw/zinc/63/45/89/471634589.db2.gz BWGUEFUSZMXBQJ-RTBURBONSA-N 1 3 342.487 2.082 10 30 EEEEHO C=CC[C@@]1(C(=O)N2CC[C@@H](N(C)CCc3ccccc3)C2)CCC[NH2+]1 ZINC000662873275 472286267 /nfs/dbraw/zinc/28/62/67/472286267.db2.gz VQPIKXFWSKODRH-CTNGQTDRSA-N 1 3 341.499 2.460 10 30 EEEEHO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@H]1CCN(C2CCCC2)C1 ZINC000089062077 526389393 /nfs/dbraw/zinc/38/93/93/526389393.db2.gz OWASONRWMWHTQT-AWEZNQCLSA-N 1 3 335.521 2.442 10 30 EEEEHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCc1ccc(C#N)s1 ZINC001267109127 1178264095 /nfs/dbraw/zinc/26/40/95/1178264095.db2.gz BZPLSWSZMHMXBW-KBPBESRZSA-N 1 3 334.489 2.041 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCNCc2cccc(C#N)c2)C1 ZINC001481269442 1180548739 /nfs/dbraw/zinc/54/87/39/1180548739.db2.gz HQLCPRGUASQISL-LJQANCHMSA-N 1 3 342.487 2.228 10 30 EEEEHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)CCNCc2cccc(C#N)c2)C1 ZINC001481269442 1180548745 /nfs/dbraw/zinc/54/87/45/1180548745.db2.gz HQLCPRGUASQISL-LJQANCHMSA-N 1 3 342.487 2.228 10 30 EEEEHO CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC#Cc2ccccc2)C1)N(C)C ZINC001481504862 1181585097 /nfs/dbraw/zinc/58/50/97/1181585097.db2.gz OYLOHYPEYMVQRG-PMACEKPBSA-N 1 3 341.499 2.159 10 30 EEEEHO CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC#Cc2ccccc2)C1)N(C)C ZINC001481504862 1181585103 /nfs/dbraw/zinc/58/51/03/1181585103.db2.gz OYLOHYPEYMVQRG-PMACEKPBSA-N 1 3 341.499 2.159 10 30 EEEEHO CC(C)[C@@H](CNC(=O)CC[NH+](C)C)NCC#Cc1cccc(Cl)c1 ZINC001268215878 1182026475 /nfs/dbraw/zinc/02/64/75/1182026475.db2.gz BVCGVKMGPSRELT-GOSISDBHSA-N 1 3 349.906 2.374 10 30 EEEEHO C#CCNCc1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001482028890 1183158791 /nfs/dbraw/zinc/15/87/91/1183158791.db2.gz FMBZENMCEXPCGF-UHFFFAOYSA-N 1 3 327.472 2.290 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[NH2+]CCCC2CCCC2)CC1 ZINC001268673199 1183598924 /nfs/dbraw/zinc/59/89/24/1183598924.db2.gz BTQRMJPBLPDUKP-QGZVFWFLSA-N 1 3 333.520 2.396 10 30 EEEEHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C ZINC001270569865 1185178507 /nfs/dbraw/zinc/17/85/07/1185178507.db2.gz ZZPZADJWCAKWNF-QAPCUYQASA-N 1 3 349.906 2.374 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000876875840 1199802241 /nfs/dbraw/zinc/80/22/41/1199802241.db2.gz CHPVYSSXNWUVBU-OAHLLOKOSA-N 1 3 345.821 2.325 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876901067 1199813032 /nfs/dbraw/zinc/81/30/32/1199813032.db2.gz XWSFBLHALAMHIP-UAGQMJEPSA-N 1 3 335.879 2.483 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876901067 1199813038 /nfs/dbraw/zinc/81/30/38/1199813038.db2.gz XWSFBLHALAMHIP-UAGQMJEPSA-N 1 3 335.879 2.483 10 30 EEEEHO CN(C)C1(C(=O)N(C)CCC[NH2+]Cc2cc(C#N)ccc2F)CCC1 ZINC001276048357 1205750952 /nfs/dbraw/zinc/75/09/52/1205750952.db2.gz QNEJGNQXIANPGT-UHFFFAOYSA-N 1 3 346.450 2.120 10 30 EEEEHO C[NH+](C)CCCC(=O)N1CC[C@@H](CCNCc2ccccc2C#N)C1 ZINC001280172119 1324102425 /nfs/dbraw/zinc/10/24/25/1324102425.db2.gz CCFWQCSWWOPQAX-QGZVFWFLSA-N 1 3 342.487 2.228 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C2C[NH+]([C@@H](C)CCC=C)C2)CC1 ZINC001282740974 1325777092 /nfs/dbraw/zinc/77/70/92/1325777092.db2.gz PTCZSLVQBROKFM-IRXDYDNUSA-N 1 3 331.504 2.123 10 30 EEEEHO C#CCN1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001317007814 1332042424 /nfs/dbraw/zinc/04/24/24/1332042424.db2.gz RMFNVCZCURATIH-ROUUACIJSA-N 1 3 331.504 2.101 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001317108600 1332083238 /nfs/dbraw/zinc/08/32/38/1332083238.db2.gz CBZLLUGBAUCOAK-ZCNNSNEGSA-N 1 3 339.483 2.148 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001317108600 1332083239 /nfs/dbraw/zinc/08/32/39/1332083239.db2.gz CBZLLUGBAUCOAK-ZCNNSNEGSA-N 1 3 339.483 2.148 10 30 EEEEHO CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NCC#Cc1ccccc1 ZINC001318569649 1332562171 /nfs/dbraw/zinc/56/21/71/1332562171.db2.gz IKDAENSSHYQQKT-RTBURBONSA-N 1 3 329.488 2.109 10 30 EEEEHO C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001324645194 1333729894 /nfs/dbraw/zinc/72/98/94/1333729894.db2.gz BPKZVWFRSDLISX-QZTJIDSGSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001324645194 1333729899 /nfs/dbraw/zinc/72/98/99/1333729899.db2.gz BPKZVWFRSDLISX-QZTJIDSGSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001330340345 1334826197 /nfs/dbraw/zinc/82/61/97/1334826197.db2.gz PMTXXSRGRZRKLO-OAFZBRQQSA-N 1 3 337.483 2.069 10 30 EEEEHO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)[C@@H]2C1 ZINC001330340345 1334826202 /nfs/dbraw/zinc/82/62/02/1334826202.db2.gz PMTXXSRGRZRKLO-OAFZBRQQSA-N 1 3 337.483 2.069 10 30 EEEEHO C=CCn1c([C@H]2CCC[N@H+](C)C2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001351544131 1337824369 /nfs/dbraw/zinc/82/43/69/1337824369.db2.gz MLWDIXIBWVMQMU-DLBZAZTESA-N 1 3 346.523 2.050 10 30 EEEEHO C=CCn1c([C@H]2CCC[N@@H+](C)C2)nnc1N1CCN(C)[C@@H](C(C)C)C1 ZINC001351544131 1337824372 /nfs/dbraw/zinc/82/43/72/1337824372.db2.gz MLWDIXIBWVMQMU-DLBZAZTESA-N 1 3 346.523 2.050 10 30 EEEEHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001436364071 1342053838 /nfs/dbraw/zinc/05/38/38/1342053838.db2.gz AACFYLHYIUPBEQ-WOVMCDHWSA-N 1 3 346.450 2.022 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC/C=C/CC)CC1 ZINC001656109126 1354202591 /nfs/dbraw/zinc/20/25/91/1354202591.db2.gz FRGXEPQRCZVMLX-GHOSXJJBSA-N 1 3 331.504 2.221 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC/C=C/CC)CC1 ZINC001656109126 1354202592 /nfs/dbraw/zinc/20/25/92/1354202592.db2.gz FRGXEPQRCZVMLX-GHOSXJJBSA-N 1 3 331.504 2.221 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1Cl)N(C)C(=O)CCC[NH+](C)C ZINC001666976787 1355626183 /nfs/dbraw/zinc/62/61/83/1355626183.db2.gz LGIMOQRNHZMGBR-MRXNPFEDSA-N 1 3 349.906 2.470 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC/C=C/CC)CC1 ZINC001691839533 1404950729 /nfs/dbraw/zinc/95/07/29/1404950729.db2.gz OMHKTSDGFVHHCU-VGIQHARFSA-N 1 3 343.515 2.363 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC/C=C/CC)CC1 ZINC001691839533 1404950739 /nfs/dbraw/zinc/95/07/39/1404950739.db2.gz OMHKTSDGFVHHCU-VGIQHARFSA-N 1 3 343.515 2.363 10 30 EEEEHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C(C)(C)C1 ZINC001441925021 1096109364 /nfs/dbraw/zinc/10/93/64/1096109364.db2.gz AWTQEVQSSIKOKC-INIZCTEOSA-N 1 3 348.516 2.288 10 30 EEEEHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2ccc(C#N)s2)C(C)(C)C1 ZINC001441925021 1096109368 /nfs/dbraw/zinc/10/93/68/1096109368.db2.gz AWTQEVQSSIKOKC-INIZCTEOSA-N 1 3 348.516 2.288 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001480173600 1099753371 /nfs/dbraw/zinc/75/33/71/1099753371.db2.gz KTUJOLVGEMBPHF-IYARVYRRSA-N 1 3 347.890 2.269 10 30 EEEEHO CN(C)C1(C(=O)NC2CC(C[NH2+]Cc3ccc(C#N)s3)C2)CCC1 ZINC001447796207 1103355100 /nfs/dbraw/zinc/35/51/00/1103355100.db2.gz GBQFUPMVXMHBIJ-UHFFFAOYSA-N 1 3 346.500 2.088 10 30 EEEEHO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001506897920 1114958539 /nfs/dbraw/zinc/95/85/39/1114958539.db2.gz CSFUMWGSUZFLQC-JYJNAYRXSA-N 1 3 327.900 2.486 10 30 EEEEHO C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001568393376 1124463822 /nfs/dbraw/zinc/46/38/22/1124463822.db2.gz KRIMVNWVLVYSBU-VQIMIIECSA-N 1 3 337.483 2.193 10 30 EEEEHO CCCN(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001568539733 1124600533 /nfs/dbraw/zinc/60/05/33/1124600533.db2.gz FMRPRCKUAFOWDG-PMACEKPBSA-N 1 3 341.499 2.254 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000155718285 462933365 /nfs/dbraw/zinc/93/33/65/462933365.db2.gz SDIZYLGTMWHIDD-GOSISDBHSA-N 1 3 336.524 2.447 10 30 EEEEHO C=C(C)CN1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000155718285 462933370 /nfs/dbraw/zinc/93/33/70/462933370.db2.gz SDIZYLGTMWHIDD-GOSISDBHSA-N 1 3 336.524 2.447 10 30 EEEEHO C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437212 468586375 /nfs/dbraw/zinc/58/63/75/468586375.db2.gz JFRXRYCHTFTACX-NJAFHUGGSA-N 1 3 328.460 2.349 10 30 EEEEHO N#CCCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000594446125 468591452 /nfs/dbraw/zinc/59/14/52/468591452.db2.gz PNSXKGDOTXTEHC-LSDHHAIUSA-N 1 3 334.489 2.412 10 30 EEEEHO CCc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)N(C)C)cc1 ZINC000594446450 468592632 /nfs/dbraw/zinc/59/26/32/468592632.db2.gz TVTMWTQTPAHWGX-ROUUACIJSA-N 1 3 330.476 2.379 10 30 EEEEHO CN1CCN(CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594925881 468723599 /nfs/dbraw/zinc/72/35/99/468723599.db2.gz PKFLJVKCJLNYEM-UHFFFAOYSA-N 1 3 326.488 2.359 10 30 EEEEHO C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1ccc(C#N)cc1 ZINC000596163331 469181923 /nfs/dbraw/zinc/18/19/23/469181923.db2.gz KNGRAFKVRQSUIT-JKSUJKDBSA-N 1 3 345.491 2.190 10 30 EEEEHO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1ccc(C#N)cc1 ZINC000596163331 469181929 /nfs/dbraw/zinc/18/19/29/469181929.db2.gz KNGRAFKVRQSUIT-JKSUJKDBSA-N 1 3 345.491 2.190 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C(C)C ZINC000626936927 469761699 /nfs/dbraw/zinc/76/16/99/469761699.db2.gz NYOMGBWXXHACHW-RLLQIKCJSA-N 1 3 348.535 2.326 10 30 EEEEHO C=CC[C@@]1(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CCC[NH2+]1 ZINC000662799938 472257034 /nfs/dbraw/zinc/25/70/34/472257034.db2.gz AXHJGHYWJMSOGW-UZLBHIALSA-N 1 3 342.487 2.422 10 30 EEEEHO C=C(C)C[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C1(N(C)C)CCC1)CC2 ZINC001485669910 1191889706 /nfs/dbraw/zinc/88/97/06/1191889706.db2.gz CDVJODUZIZNFBF-QGZVFWFLSA-N 1 3 349.519 2.034 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001267372343 1178877335 /nfs/dbraw/zinc/87/73/35/1178877335.db2.gz MQAJCFWUBKTKFO-GOSISDBHSA-N 1 3 346.450 2.118 10 30 EEEEHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCc1ccc(F)c(C#N)c1 ZINC001267372343 1178877345 /nfs/dbraw/zinc/87/73/45/1178877345.db2.gz MQAJCFWUBKTKFO-GOSISDBHSA-N 1 3 346.450 2.118 10 30 EEEEHO CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCC#Cc1ccc(F)cc1 ZINC001269498108 1184320945 /nfs/dbraw/zinc/32/09/45/1184320945.db2.gz NYGDJZQPTIMZMJ-MOPGFXCFSA-N 1 3 347.478 2.248 10 30 EEEEHO CC#CCNCc1ccc(CNC(=O)CCC[NH+]2CCCC2)cc1 ZINC001270088997 1184837300 /nfs/dbraw/zinc/83/73/00/1184837300.db2.gz VZZJVRPSKPFMSO-UHFFFAOYSA-N 1 3 327.472 2.292 10 30 EEEEHO C#CCN1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001671045355 1193553001 /nfs/dbraw/zinc/55/30/01/1193553001.db2.gz TUZJMQPIHOVYLW-FQEVSTJZSA-N 1 3 331.504 2.200 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001483096195 1188470502 /nfs/dbraw/zinc/47/05/02/1188470502.db2.gz AGWMTGVHGFMYJV-DVBCCOPCSA-N 1 3 339.483 2.355 10 30 EEEEHO CC#CC[NH+]1CCC2(CCN(C(=O)CN(C)CC(C)(C)C)C2)CC1 ZINC001671054724 1193604593 /nfs/dbraw/zinc/60/45/93/1193604593.db2.gz CWAKKFISCUJNGY-UHFFFAOYSA-N 1 3 333.520 2.302 10 30 EEEEHO C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC001484397233 1191330560 /nfs/dbraw/zinc/33/05/60/1191330560.db2.gz CHJZYGZOKGTTQS-VJANTYMQSA-N 1 3 333.520 2.395 10 30 EEEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001484558383 1191414615 /nfs/dbraw/zinc/41/46/15/1191414615.db2.gz FIPFLDPNJCJGPU-LPHOPBHVSA-N 1 3 327.472 2.461 10 30 EEEEHO C#CCN[C@@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001484558383 1191414616 /nfs/dbraw/zinc/41/46/16/1191414616.db2.gz FIPFLDPNJCJGPU-LPHOPBHVSA-N 1 3 327.472 2.461 10 30 EEEEHO C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)NC(=O)CN1CC[C@@H](C)C1 ZINC001273019248 1194326389 /nfs/dbraw/zinc/32/63/89/1194326389.db2.gz TYHBXOBYEMDAHR-HUUCEWRRSA-N 1 3 346.450 2.024 10 30 EEEEHO C#CC[C@@H]1CCN(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000862573867 1295886558 /nfs/dbraw/zinc/88/65/58/1295886558.db2.gz FWKUFGKLFIKGAR-QGZVFWFLSA-N 1 3 331.504 2.055 10 30 EEEEHO C#CCN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC[NH+](CC)CC1 ZINC001278185137 1306212407 /nfs/dbraw/zinc/21/24/07/1306212407.db2.gz YRAFSXXPKOTQOE-LJQANCHMSA-N 1 3 337.483 2.145 10 30 EEEEHO C=CCOCCN1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001278516177 1317081029 /nfs/dbraw/zinc/08/10/29/1317081029.db2.gz OWXVSTVIPFWKFR-MSOLQXFVSA-N 1 3 349.519 2.034 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)C2)CC1 ZINC001266079599 1323636319 /nfs/dbraw/zinc/63/63/19/1323636319.db2.gz RZCZPHMFZWTZKI-MWXKITEQSA-N 1 3 337.895 2.101 10 30 EEEEHO C=CCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCCN1C)CC2 ZINC001283002003 1325876234 /nfs/dbraw/zinc/87/62/34/1325876234.db2.gz AHZVOMJBWNOROJ-QZTJIDSGSA-N 1 3 349.519 2.034 10 30 EEEEHO C#CC[NH+]1CCC(C2(NC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CC2)CC1 ZINC001284846553 1326742053 /nfs/dbraw/zinc/74/20/53/1326742053.db2.gz QGEBQBZPGHMBAK-IBGZPJMESA-N 1 3 349.494 2.193 10 30 EEEEHO CC#CCN1CCC[C@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317139552 1332096024 /nfs/dbraw/zinc/09/60/24/1332096024.db2.gz JXVOSNZSPUCFSD-APWZRJJASA-N 1 3 337.483 2.050 10 30 EEEEHO CC#CCN1CCC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317139552 1332096025 /nfs/dbraw/zinc/09/60/25/1332096025.db2.gz JXVOSNZSPUCFSD-APWZRJJASA-N 1 3 337.483 2.050 10 30 EEEEHO CC[C@H](C(=O)NC[C@H](C)NCC#Cc1ccccc1)[NH+](CC)CC ZINC001317262354 1332157157 /nfs/dbraw/zinc/15/71/57/1332157157.db2.gz CEIHIKJKZMNIBD-PKOBYXMFSA-N 1 3 329.488 2.253 10 30 EEEEHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC#Cc1cccc(Cl)c1 ZINC001318603139 1332566363 /nfs/dbraw/zinc/56/63/63/1332566363.db2.gz OGUVTBZURNEXEU-FUHWJXTLSA-N 1 3 347.890 2.128 10 30 EEEEHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC#Cc1cccc(Cl)c1 ZINC001318603139 1332566365 /nfs/dbraw/zinc/56/63/65/1332566365.db2.gz OGUVTBZURNEXEU-FUHWJXTLSA-N 1 3 347.890 2.128 10 30 EEEEHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001320414966 1332878689 /nfs/dbraw/zinc/87/86/89/1332878689.db2.gz NMSQTJYHQFQLGW-APWZRJJASA-N 1 3 342.487 2.415 10 30 EEEEHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCNCc1ccccc1C#N ZINC001320414966 1332878694 /nfs/dbraw/zinc/87/86/94/1332878694.db2.gz NMSQTJYHQFQLGW-APWZRJJASA-N 1 3 342.487 2.415 10 30 EEEEHO C=CC[NH2+]C1(C)CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001328018834 1334379760 /nfs/dbraw/zinc/37/97/60/1334379760.db2.gz ZWZDRNYLXIIXHM-GOSISDBHSA-N 1 3 325.472 2.356 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C[NH2+]C[C@@H](F)CC)C(C)(C)C)CC1 ZINC001332898602 1335926951 /nfs/dbraw/zinc/92/69/51/1335926951.db2.gz KJAHHULMQGRSRO-IRXDYDNUSA-N 1 3 339.499 2.200 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2=CC[N@H+](CC/C=C/CC)CC2)CC1 ZINC001333456371 1336050691 /nfs/dbraw/zinc/05/06/91/1336050691.db2.gz CFMJXYVVOVTING-AATRIKPKSA-N 1 3 343.515 2.436 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2=CC[N@@H+](CC/C=C/CC)CC2)CC1 ZINC001333456371 1336050695 /nfs/dbraw/zinc/05/06/95/1336050695.db2.gz CFMJXYVVOVTING-AATRIKPKSA-N 1 3 343.515 2.436 10 30 EEEEHO CC#CC[N@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001569451884 1342872189 /nfs/dbraw/zinc/87/21/89/1342872189.db2.gz LQUDYHIOSPPLLG-UHFFFAOYSA-N 1 3 345.531 2.445 10 30 EEEEHO CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)CN2CCC(C)CC2)CC1 ZINC001569451884 1342872192 /nfs/dbraw/zinc/87/21/92/1342872192.db2.gz LQUDYHIOSPPLLG-UHFFFAOYSA-N 1 3 345.531 2.445 10 30 EEEEHO C#CCN1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001569621791 1342910793 /nfs/dbraw/zinc/91/07/93/1342910793.db2.gz ITMBNCDMXMHRQU-AZUAARDMSA-N 1 3 333.520 2.445 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCCC)C2)CC1 ZINC001676974655 1357253315 /nfs/dbraw/zinc/25/33/15/1357253315.db2.gz LLBDUBQEWCTUEI-HKUYNNGSSA-N 1 3 333.520 2.396 10 30 EEEEHO C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](F)CN(CC)CC)C2)CC1 ZINC001656394528 1354227310 /nfs/dbraw/zinc/22/73/10/1354227310.db2.gz VXAINWAWXLFSSB-DLBZAZTESA-N 1 3 337.483 2.003 10 30 EEEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC(CC)CC)CC1 ZINC001671497397 1356350743 /nfs/dbraw/zinc/35/07/43/1356350743.db2.gz RJFOEVDIQYKMIE-UHFFFAOYSA-N 1 3 330.476 2.315 10 30 EEEEHO C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001671908123 1356436750 /nfs/dbraw/zinc/43/67/50/1356436750.db2.gz PDLLMJOBHIAHQE-ICSRJNTNSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)N2CCCCCC2)C1 ZINC001671908123 1356436751 /nfs/dbraw/zinc/43/67/51/1356436751.db2.gz PDLLMJOBHIAHQE-ICSRJNTNSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC=C)C3)CC1 ZINC001672170476 1356472804 /nfs/dbraw/zinc/47/28/04/1356472804.db2.gz HDRCIYJPBWWIOS-IHPCNDPISA-N 1 3 343.515 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCC=C)C3)CC1 ZINC001672170476 1356472806 /nfs/dbraw/zinc/47/28/06/1356472806.db2.gz HDRCIYJPBWWIOS-IHPCNDPISA-N 1 3 343.515 2.267 10 30 EEEEHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001675343064 1356967769 /nfs/dbraw/zinc/96/77/69/1356967769.db2.gz JDFZGKIIGLRZMW-KBXCAEBGSA-N 1 3 325.472 2.212 10 30 EEEEHO C=C(C)CN1CC([C@H](C)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001675343064 1356967770 /nfs/dbraw/zinc/96/77/70/1356967770.db2.gz JDFZGKIIGLRZMW-KBXCAEBGSA-N 1 3 325.472 2.212 10 30 EEEEHO C#CCN(C(=O)NCCC[NH+](CCC)CCC)C1CCN(C)CC1 ZINC000916554751 797651398 /nfs/dbraw/zinc/65/13/98/797651398.db2.gz VUAGVGMVVHTMAZ-UHFFFAOYSA-N 1 3 336.524 2.238 10 30 EEEEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001447872738 1103488383 /nfs/dbraw/zinc/48/83/83/1103488383.db2.gz SGAKZNBBOXFCFN-UONOGXRCSA-N 1 3 346.450 2.164 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001480597513 1106735004 /nfs/dbraw/zinc/73/50/04/1106735004.db2.gz QJLBTVPDKQQAQF-HOTGVXAUSA-N 1 3 345.462 2.326 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[NH2+]CCCCC(F)(F)F)CC1 ZINC001498197602 1107064926 /nfs/dbraw/zinc/06/49/26/1107064926.db2.gz RKRHZRFJQKNLID-AWEZNQCLSA-N 1 3 347.425 2.159 10 30 EEEEHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1)N(C)C ZINC001480789898 1107121377 /nfs/dbraw/zinc/12/13/77/1107121377.db2.gz IRKGCXYQKIYGMK-PKOBYXMFSA-N 1 3 329.488 2.109 10 30 EEEEHO C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1C(C)C ZINC001499929715 1112544883 /nfs/dbraw/zinc/54/48/83/1112544883.db2.gz KPTMHHJWPMCNDY-ROUUACIJSA-N 1 3 337.508 2.033 10 30 EEEEHO CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCN2CCC)CC1 ZINC001501181239 1113230972 /nfs/dbraw/zinc/23/09/72/1113230972.db2.gz FYOZLVBPJWTDGA-GUDVDZBRSA-N 1 3 333.520 2.396 10 30 EEEEHO CC[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCC#Cc1ccccc1 ZINC001567990203 1124219508 /nfs/dbraw/zinc/21/95/08/1124219508.db2.gz CCBXBKBIGDFVDL-FQEVSTJZSA-N 1 3 341.499 2.399 10 30 EEEEHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC#Cc1ccccc1)C(C)C)N(C)C ZINC001568454607 1124520237 /nfs/dbraw/zinc/52/02/37/1124520237.db2.gz MTEUNFALEWUQFZ-RTBURBONSA-N 1 3 329.488 2.109 10 30 EEEEHO C#CCN1CCC(C(=O)NC/C=C/C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001568969056 1125006330 /nfs/dbraw/zinc/00/63/30/1125006330.db2.gz HJFHUWQIWVOSCU-YGHZUAQBSA-N 1 3 343.515 2.030 10 30 EEEEHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN2CCC1CC2)C(C)C ZINC000376577959 466920093 /nfs/dbraw/zinc/92/00/93/466920093.db2.gz HBTIQVCMEZQVOC-GOSISDBHSA-N 1 3 334.508 2.175 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000594439154 468588139 /nfs/dbraw/zinc/58/81/39/468588139.db2.gz SUPOOBAHHYEGCI-RTBURBONSA-N 1 3 342.487 2.078 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000594439154 468588141 /nfs/dbraw/zinc/58/81/41/468588141.db2.gz SUPOOBAHHYEGCI-RTBURBONSA-N 1 3 342.487 2.078 10 30 EEEEHO CC(C)(CNC(=O)[C@H]([NH3+])CCCCC#N)N1CCc2ccccc2C1 ZINC000594440636 468589395 /nfs/dbraw/zinc/58/93/95/468589395.db2.gz HGBKOJXRUYYJNO-GOSISDBHSA-N 1 3 342.487 2.351 10 30 EEEEHO N#Cc1csc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000594974231 468736484 /nfs/dbraw/zinc/73/64/84/468736484.db2.gz IVYKPRIPHWJNFX-QGZVFWFLSA-N 1 3 327.453 2.476 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCCCCF)CC1 ZINC001691112512 1177602264 /nfs/dbraw/zinc/60/22/64/1177602264.db2.gz HJAJIXXDNTVNFY-GOSISDBHSA-N 1 3 337.483 2.052 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCCCF)CC1 ZINC001691112512 1177602267 /nfs/dbraw/zinc/60/22/67/1177602267.db2.gz HJAJIXXDNTVNFY-GOSISDBHSA-N 1 3 337.483 2.052 10 30 EEEEHO C[C@H](CNCC#Cc1ccccc1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001268084156 1181699323 /nfs/dbraw/zinc/69/93/23/1181699323.db2.gz BZPFQDZOAXMGRY-GOSISDBHSA-N 1 3 341.499 2.207 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001481882462 1182866742 /nfs/dbraw/zinc/86/67/42/1182866742.db2.gz RMHVPLUYAATRLT-GOSISDBHSA-N 1 3 333.520 2.252 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001482370221 1185535966 /nfs/dbraw/zinc/53/59/66/1185535966.db2.gz TUANJMPCBPEDLB-QFBILLFUSA-N 1 3 342.487 2.369 10 30 EEEEHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)cc1F)N(C)C ZINC001482847395 1187765956 /nfs/dbraw/zinc/76/59/56/1187765956.db2.gz RQPUWNVLVDJSKH-CXAGYDPISA-N 1 3 334.439 2.022 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N1CCC2(CC1)C[C@H]([NH3+])c1ccccc1O2 ZINC001649097863 1193514111 /nfs/dbraw/zinc/51/41/11/1193514111.db2.gz HROFEIWOYZQQQB-CABCVRRESA-N 1 3 349.862 2.300 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CCC(=C)C)CC1 ZINC001483987669 1191143661 /nfs/dbraw/zinc/14/36/61/1191143661.db2.gz ZEWPQGDMEGCBOW-GOSISDBHSA-N 1 3 331.504 2.221 10 30 EEEEHO C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C(C)(C)N2CCCC2)CCO1 ZINC001484688127 1191471483 /nfs/dbraw/zinc/47/14/83/1191471483.db2.gz GRFZPFUOOFKGTG-SJORKVTESA-N 1 3 337.508 2.033 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2([NH2+]CC/C=C/CC)CCC2)CC1 ZINC001273202785 1197504820 /nfs/dbraw/zinc/50/48/20/1197504820.db2.gz VXGWAFURHDOMDU-AATRIKPKSA-N 1 3 331.504 2.316 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000876754159 1199757340 /nfs/dbraw/zinc/75/73/40/1199757340.db2.gz PVKLVTVOZJWSGN-OAHLLOKOSA-N 1 3 325.840 2.060 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000876848430 1199794127 /nfs/dbraw/zinc/79/41/27/1199794127.db2.gz QTHVUIPBLVHRKJ-HNNXBMFYSA-N 1 3 327.831 2.186 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877225122 1199883812 /nfs/dbraw/zinc/88/38/12/1199883812.db2.gz RZHMXMUWYJJIMU-INIZCTEOSA-N 1 3 335.879 2.236 10 30 EEEEHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001156672428 1318154114 /nfs/dbraw/zinc/15/41/14/1318154114.db2.gz NWQQNKZOIWAHDP-LJQANCHMSA-N 1 3 329.488 2.475 10 30 EEEEHO C=CCN(C)CCN(CC)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001156672428 1318154127 /nfs/dbraw/zinc/15/41/27/1318154127.db2.gz NWQQNKZOIWAHDP-LJQANCHMSA-N 1 3 329.488 2.475 10 30 EEEEHO C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC001264017713 1322586112 /nfs/dbraw/zinc/58/61/12/1322586112.db2.gz LBLSHOCYATZJLV-QRVBRYPASA-N 1 3 333.520 2.489 10 30 EEEEHO C#CCN1CCC(C(=O)NC2CCC([NH2+]C[C@H](F)CC)CC2)CC1 ZINC001265744664 1323361549 /nfs/dbraw/zinc/36/15/49/1323361549.db2.gz QMGORGANZJHORG-WWDZGPRUSA-N 1 3 337.483 2.097 10 30 EEEEHO CC#CC[NH+]1CCC(C2(NC(=O)[C@@H](F)CN(CC)CC)CC2)CC1 ZINC001279360752 1323886014 /nfs/dbraw/zinc/88/60/14/1323886014.db2.gz XPRLFCDJLWCWFA-KRWDZBQOSA-N 1 3 337.483 2.050 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@H+]2CC(=C)C)CC1 ZINC001492178951 1331058140 /nfs/dbraw/zinc/05/81/40/1331058140.db2.gz SQIYORTVCZDLDZ-LJQANCHMSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCN1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC(=C)C)CC1 ZINC001492178951 1331058143 /nfs/dbraw/zinc/05/81/43/1331058143.db2.gz SQIYORTVCZDLDZ-LJQANCHMSA-N 1 3 331.504 2.269 10 30 EEEEHO C#CCC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCCN2CC)cc1 ZINC001317375911 1332203352 /nfs/dbraw/zinc/20/33/52/1332203352.db2.gz OOUKAMXUSCQENO-HXUWFJFHSA-N 1 3 341.499 2.333 10 30 EEEEHO C[NH+](C)CCC(=O)NCCC[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC001317437098 1332241088 /nfs/dbraw/zinc/24/10/88/1332241088.db2.gz UATTXRRGIIYBQA-OAHLLOKOSA-N 1 3 348.516 2.432 10 30 EEEEHO CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC#Cc2ccccc2)C1)N(C)C ZINC001317842332 1332428497 /nfs/dbraw/zinc/42/84/97/1332428497.db2.gz OYLOHYPEYMVQRG-WOJBJXKFSA-N 1 3 341.499 2.159 10 30 EEEEHO CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC#Cc2ccccc2)C1)N(C)C ZINC001317842332 1332428501 /nfs/dbraw/zinc/42/85/01/1332428501.db2.gz OYLOHYPEYMVQRG-WOJBJXKFSA-N 1 3 341.499 2.159 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)s1)N(C)C ZINC001320612566 1332920732 /nfs/dbraw/zinc/92/07/32/1332920732.db2.gz BVJYFKRHQZBPCQ-CZUORRHYSA-N 1 3 336.505 2.190 10 30 EEEEHO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C2 ZINC001325617546 1333924921 /nfs/dbraw/zinc/92/49/21/1333924921.db2.gz MENZRPQIIWBQGS-BCDXTJNWSA-N 1 3 331.504 2.243 10 30 EEEEHO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)N1CCCCC1)C2 ZINC001325617546 1333924922 /nfs/dbraw/zinc/92/49/22/1333924922.db2.gz MENZRPQIIWBQGS-BCDXTJNWSA-N 1 3 331.504 2.243 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001325897964 1333987850 /nfs/dbraw/zinc/98/78/50/1333987850.db2.gz HKCIBVBAYHDHBE-OTWHNJEPSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCN1CCC ZINC001325897964 1333987853 /nfs/dbraw/zinc/98/78/53/1333987853.db2.gz HKCIBVBAYHDHBE-OTWHNJEPSA-N 1 3 349.519 2.129 10 30 EEEEHO C=C(C)C[NH2+]C1(CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CCC1 ZINC001326889074 1334177026 /nfs/dbraw/zinc/17/70/26/1334177026.db2.gz FYMRMGYUSNLWSA-SFHVURJKSA-N 1 3 325.472 2.404 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@H+](C)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001351862212 1337857934 /nfs/dbraw/zinc/85/79/34/1337857934.db2.gz UIUXWIWHSSVQFF-BRWVUGGUSA-N 1 3 346.523 2.192 10 30 EEEEHO C=CCn1c([C@@H]2CCC[N@@H+](C)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001351862212 1337857953 /nfs/dbraw/zinc/85/79/53/1337857953.db2.gz UIUXWIWHSSVQFF-BRWVUGGUSA-N 1 3 346.523 2.192 10 30 EEEEHO CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001566905155 1342649458 /nfs/dbraw/zinc/64/94/58/1342649458.db2.gz NQGCXTIFFQKWKT-LPHOPBHVSA-N 1 3 337.483 2.050 10 30 EEEEHO C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](F)CN(CC)CC)C2)CC1 ZINC001656394534 1354227631 /nfs/dbraw/zinc/22/76/31/1354227631.db2.gz VXAINWAWXLFSSB-SJORKVTESA-N 1 3 337.483 2.003 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ccc(C)cc2C)CC1 ZINC001662426487 1354795658 /nfs/dbraw/zinc/79/56/58/1354795658.db2.gz YBMUSSGUGCBMJR-SFHVURJKSA-N 1 3 341.499 2.243 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCC(C)C)CC1 ZINC001665433307 1355310435 /nfs/dbraw/zinc/31/04/35/1355310435.db2.gz YAQRAKRPTJWPRZ-OALUTQOASA-N 1 3 331.504 2.053 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC(C)C)CC1 ZINC001665433307 1355310440 /nfs/dbraw/zinc/31/04/40/1355310440.db2.gz YAQRAKRPTJWPRZ-OALUTQOASA-N 1 3 331.504 2.053 10 30 EEEEHO CCCN(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC001672326215 1356501809 /nfs/dbraw/zinc/50/18/09/1356501809.db2.gz BAMNWZLWCVDGLZ-AZUAARDMSA-N 1 3 341.499 2.064 10 30 EEEEHO C[C@@H](NCC#Cc1ccc(F)cc1)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001674720830 1356883083 /nfs/dbraw/zinc/88/30/83/1356883083.db2.gz DCABMVFRCDFYJX-HZPDHXFCSA-N 1 3 345.462 2.002 10 30 EEEEHO CN(Cc1ccc(C#N)s1)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001436846773 1088485932 /nfs/dbraw/zinc/48/59/32/1088485932.db2.gz VSSFUTRQLDLHJX-OAHLLOKOSA-N 1 3 348.516 2.242 10 30 EEEEHO CC[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1)N(C)C ZINC001437011686 1088790832 /nfs/dbraw/zinc/79/08/32/1088790832.db2.gz RGCSYXBTCGQQDK-RTBURBONSA-N 1 3 342.487 2.227 10 30 EEEEHO CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1)N(C)C ZINC001437011686 1088790846 /nfs/dbraw/zinc/79/08/46/1088790846.db2.gz RGCSYXBTCGQQDK-RTBURBONSA-N 1 3 342.487 2.227 10 30 EEEEHO C[C@H](CNC(=O)C(C)(C)N1CCCC1)C[NH2+]Cc1cccc(C#N)c1 ZINC001444360901 1098925545 /nfs/dbraw/zinc/92/55/45/1098925545.db2.gz ZAEQGCMCOCRQDY-INIZCTEOSA-N 1 3 342.487 2.275 10 30 EEEEHO CC[C@H](C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001480222183 1099840158 /nfs/dbraw/zinc/84/01/58/1099840158.db2.gz FYUMZOIZSBAOIC-HSALFYBXSA-N 1 3 341.499 2.395 10 30 EEEEHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CCNCc1ccccc1C#N ZINC001496415892 1101008603 /nfs/dbraw/zinc/00/86/03/1101008603.db2.gz RBLILMQPWUKLJN-IBGZPJMESA-N 1 3 342.487 2.371 10 30 EEEEHO CCN(CCNCc1cccc(C#N)c1)C(=O)CC[NH+]1CCCCC1 ZINC001497500534 1102587564 /nfs/dbraw/zinc/58/75/64/1102587564.db2.gz HVZJUSDZUSSNTG-UHFFFAOYSA-N 1 3 342.487 2.372 10 30 EEEEHO C=CCN(C)CC[N@@H+](CC)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001460034272 1110253873 /nfs/dbraw/zinc/25/38/73/1110253873.db2.gz ZLMHKAAJSXUZCE-FQEVSTJZSA-N 1 3 331.504 2.063 10 30 EEEEHO C=CCN(C)CC[N@H+](CC)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001460034272 1110253876 /nfs/dbraw/zinc/25/38/76/1110253876.db2.gz ZLMHKAAJSXUZCE-FQEVSTJZSA-N 1 3 331.504 2.063 10 30 EEEEHO CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001505833246 1114221496 /nfs/dbraw/zinc/22/14/96/1114221496.db2.gz AHSNWDSZLWKEEM-IBGZPJMESA-N 1 3 339.499 2.296 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001507152007 1115135929 /nfs/dbraw/zinc/13/59/29/1115135929.db2.gz LBWJFCDMWRWERL-GOSISDBHSA-N 1 3 329.488 2.207 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCC#Cc1ccccc1 ZINC001507152007 1115135930 /nfs/dbraw/zinc/13/59/30/1115135930.db2.gz LBWJFCDMWRWERL-GOSISDBHSA-N 1 3 329.488 2.207 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC001507427838 1115263216 /nfs/dbraw/zinc/26/32/16/1115263216.db2.gz LSTYDAMPYNFUIS-LSDHHAIUSA-N 1 3 348.516 2.334 10 30 EEEEHO CC[C@H](O)[C@@H]1CCCCN1CC#CC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872649 465272212 /nfs/dbraw/zinc/27/22/12/465272212.db2.gz GIVPJINMCYAWSV-MUGJNUQGSA-N 1 3 336.520 2.241 10 30 EEEEHO CC[C@H](O)[C@@H]1CCCCN1CC#CC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000341872649 465272218 /nfs/dbraw/zinc/27/22/18/465272218.db2.gz GIVPJINMCYAWSV-MUGJNUQGSA-N 1 3 336.520 2.241 10 30 EEEEHO CC[C@H](C)[NH+]=C(NCc1ccccc1)NC[C@H]1CCN(CCOC)C1 ZINC000072271835 463492132 /nfs/dbraw/zinc/49/21/32/463492132.db2.gz CHPYBNWEEVYJKO-PKOBYXMFSA-N 1 3 346.519 2.489 10 30 EEEEHO C[C@H](NC(=O)[C@H](N)CCCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000594444094 468590258 /nfs/dbraw/zinc/59/02/58/468590258.db2.gz XPJHWPXCNZVXSM-QXAKKESOSA-N 1 3 342.487 2.424 10 30 EEEEHO C[C@H](NC(=O)[C@H](N)CCCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594444094 468590262 /nfs/dbraw/zinc/59/02/62/468590262.db2.gz XPJHWPXCNZVXSM-QXAKKESOSA-N 1 3 342.487 2.424 10 30 EEEEHO Cc1csc(NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c1C#N ZINC000596904113 469403416 /nfs/dbraw/zinc/40/34/16/469403416.db2.gz NPIVYAZSTJERGV-ZDUSSCGKSA-N 1 3 337.493 2.322 10 30 EEEEHO Cc1csc(NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c1C#N ZINC000596904113 469403420 /nfs/dbraw/zinc/40/34/20/469403420.db2.gz NPIVYAZSTJERGV-ZDUSSCGKSA-N 1 3 337.493 2.322 10 30 EEEEHO C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158340679 678393483 /nfs/dbraw/zinc/39/34/83/678393483.db2.gz SWJFDTAYBLBNOY-HEHGZKQESA-N 1 3 335.496 2.289 10 30 EEEEHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001485706317 1191899614 /nfs/dbraw/zinc/89/96/14/1191899614.db2.gz DJIRFBMDFVYUDZ-UAPYVXQJSA-N 1 3 345.462 2.002 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)CCC[NH2+]Cc2ccccc2)CC1 ZINC001485752433 1191922331 /nfs/dbraw/zinc/92/23/31/1191922331.db2.gz VTWYUNJMGGFACL-GOSISDBHSA-N 1 3 341.499 2.406 10 30 EEEEHO CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001691124215 1177614630 /nfs/dbraw/zinc/61/46/30/1177614630.db2.gz YBLGLHYEAPKOLV-IZAXUBKRSA-N 1 3 345.462 2.003 10 30 EEEEHO CC[N@@H+](C)CCC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001691124215 1177614633 /nfs/dbraw/zinc/61/46/33/1177614633.db2.gz YBLGLHYEAPKOLV-IZAXUBKRSA-N 1 3 345.462 2.003 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](CC)[NH2+]CC2=CCCCC2)CC1 ZINC001269515704 1184341696 /nfs/dbraw/zinc/34/16/96/1184341696.db2.gz HOLFALFSMOXOCK-LJQANCHMSA-N 1 3 331.504 2.316 10 30 EEEEHO C#CCN(C(=O)CN(C)C(C)C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001270364080 1185048900 /nfs/dbraw/zinc/04/89/00/1185048900.db2.gz LWGLNASNLSYGON-UHFFFAOYSA-N 1 3 333.520 2.299 10 30 EEEEHO C[NH+](C)CCC(=O)NC[C@H]1C[C@H](NCC#Cc2ccc(Cl)cc2)C1 ZINC001691520498 1185655756 /nfs/dbraw/zinc/65/57/56/1185655756.db2.gz MOWGMQYEKNRKNS-SAABIXHNSA-N 1 3 347.890 2.128 10 30 EEEEHO C#CCNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485825006 1193464595 /nfs/dbraw/zinc/46/45/95/1193464595.db2.gz WWTRGXXNYCIHEU-OALUTQOASA-N 1 3 331.504 2.243 10 30 EEEEHO C#CCNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001485825006 1193464597 /nfs/dbraw/zinc/46/45/97/1193464597.db2.gz WWTRGXXNYCIHEU-OALUTQOASA-N 1 3 331.504 2.243 10 30 EEEEHO CCC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001485946482 1193655095 /nfs/dbraw/zinc/65/50/95/1193655095.db2.gz FABMSXZRNOGNJO-KRWDZBQOSA-N 1 3 347.478 2.346 10 30 EEEEHO CCC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCC#Cc1ccc(F)cc1 ZINC001485946482 1193655096 /nfs/dbraw/zinc/65/50/96/1193655096.db2.gz FABMSXZRNOGNJO-KRWDZBQOSA-N 1 3 347.478 2.346 10 30 EEEEHO C[C@@H](NCC#Cc1ccccc1Cl)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001485188097 1191685299 /nfs/dbraw/zinc/68/52/99/1191685299.db2.gz GYSUOECVJPXXIC-HUUCEWRRSA-N 1 3 335.879 2.126 10 30 EEEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1-n1ccc(C)n1 ZINC000128773491 1201629190 /nfs/dbraw/zinc/62/91/90/1201629190.db2.gz OBHRASORKNQGPJ-KRWDZBQOSA-N 1 3 340.475 2.069 10 30 EEEEHO Cc1cc(C#N)cc(C)c1CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000931549558 1207410364 /nfs/dbraw/zinc/41/03/64/1207410364.db2.gz QAOKDWOMUUOWEP-UHFFFAOYSA-N 1 3 326.488 2.387 10 30 EEEEHO C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273823978 1286464164 /nfs/dbraw/zinc/46/41/64/1286464164.db2.gz GHEOLNFOGHIXKA-UXHICEINSA-N 1 3 341.499 2.447 10 30 EEEEHO C=CCCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273823978 1286464171 /nfs/dbraw/zinc/46/41/71/1286464171.db2.gz GHEOLNFOGHIXKA-UXHICEINSA-N 1 3 341.499 2.447 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CC)c2ccccc2CC)CC1 ZINC001278978220 1318903452 /nfs/dbraw/zinc/90/34/52/1318903452.db2.gz YJSARCMLXNMPGK-FQEVSTJZSA-N 1 3 341.499 2.361 10 30 EEEEHO C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H](NCC#Cc2ccccc2)C1 ZINC001263878206 1322545237 /nfs/dbraw/zinc/54/52/37/1322545237.db2.gz PYPRILKKKISXAD-MXVIHJGJSA-N 1 3 341.499 2.254 10 30 EEEEHO C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001264740282 1322797799 /nfs/dbraw/zinc/79/77/99/1322797799.db2.gz MAXVXFMWFDAQTG-IRXDYDNUSA-N 1 3 325.472 2.003 10 30 EEEEHO C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](F)CN(CC)CC ZINC001264740282 1322797803 /nfs/dbraw/zinc/79/78/03/1322797803.db2.gz MAXVXFMWFDAQTG-IRXDYDNUSA-N 1 3 325.472 2.003 10 30 EEEEHO CC[N@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1ccc(F)c(C#N)c1 ZINC001265103927 1322921046 /nfs/dbraw/zinc/92/10/46/1322921046.db2.gz CBIKYAYPQZCIHY-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO CC[N@@H+](CCCNC(=O)[C@@H]1CCCN1C)Cc1ccc(F)c(C#N)c1 ZINC001265103927 1322921049 /nfs/dbraw/zinc/92/10/49/1322921049.db2.gz CBIKYAYPQZCIHY-SFHVURJKSA-N 1 3 346.450 2.120 10 30 EEEEHO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001265682215 1323317969 /nfs/dbraw/zinc/31/79/69/1323317969.db2.gz NGKBLAQLVDGPOS-YJBOKZPZSA-N 1 3 325.472 2.356 10 30 EEEEHO C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCCN1CC ZINC001317201156 1332129609 /nfs/dbraw/zinc/12/96/09/1332129609.db2.gz ZBIVNCURDDJXGC-MSOLQXFVSA-N 1 3 337.508 2.034 10 30 EEEEHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1)N(C)C ZINC001319271378 1332673722 /nfs/dbraw/zinc/67/37/22/1332673722.db2.gz ZUIVVKLPAMZYFF-APWZRJJASA-N 1 3 347.478 2.105 10 30 EEEEHO C#CCNC[C@H](NC(=O)C12CC[NH+](CC1)C2)c1ccc2ccccc2c1 ZINC001324452007 1333686547 /nfs/dbraw/zinc/68/65/47/1333686547.db2.gz SAXKOOXMTZRUMY-FQEVSTJZSA-N 1 3 347.462 2.316 10 30 EEEEHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)C2CCC2)CC[C@H]1C(F)(F)F ZINC001333021427 1335949150 /nfs/dbraw/zinc/94/91/50/1335949150.db2.gz OWCFVDLFKBRMKI-CABCVRRESA-N 1 3 347.425 2.416 10 30 EEEEHO C=CCOCC[N@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC001674142531 1356797311 /nfs/dbraw/zinc/79/73/11/1356797311.db2.gz UEJGWKXHIDZRQE-SJORKVTESA-N 1 3 337.508 2.033 10 30 EEEEHO C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)N2CCCC2)C[C@H]1C ZINC001674142531 1356797313 /nfs/dbraw/zinc/79/73/13/1356797313.db2.gz UEJGWKXHIDZRQE-SJORKVTESA-N 1 3 337.508 2.033 10 30 EEEEHO CN(CCC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)CN1CCCC1 ZINC001699549994 1405385182 /nfs/dbraw/zinc/38/51/82/1405385182.db2.gz AZETWIMMMPAVIZ-UHFFFAOYSA-N 1 3 347.890 2.225 10 30 EEEEHO C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CN(C)CC(C)(C)C ZINC001439151892 1091793154 /nfs/dbraw/zinc/79/31/54/1091793154.db2.gz FREVKSJBGDGMAR-CQSZACIVSA-N 1 3 348.466 2.270 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@H]1CC[C@H](NCc2ccccc2C#N)CC1 ZINC001444190668 1098741423 /nfs/dbraw/zinc/74/14/23/1098741423.db2.gz RUQYNARZHFELHE-IYARVYRRSA-N 1 3 328.460 2.027 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)Cc2cccc(C)c2)CC1 ZINC001493061950 1107421349 /nfs/dbraw/zinc/42/13/49/1107421349.db2.gz JQXUFWBEZCSHFN-UHFFFAOYSA-N 1 3 341.499 2.278 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)Cc2cccc(C)c2)CC1 ZINC001493061950 1107421354 /nfs/dbraw/zinc/42/13/54/1107421354.db2.gz JQXUFWBEZCSHFN-UHFFFAOYSA-N 1 3 341.499 2.278 10 30 EEEEHO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001493240732 1107754716 /nfs/dbraw/zinc/75/47/16/1107754716.db2.gz UJLVUHGRKNRIQF-QAPCUYQASA-N 1 3 325.472 2.213 10 30 EEEEHO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@]2(F)CCN(C(C)(C)C)C2)C1 ZINC001493240732 1107754730 /nfs/dbraw/zinc/75/47/30/1107754730.db2.gz UJLVUHGRKNRIQF-QAPCUYQASA-N 1 3 325.472 2.213 10 30 EEEEHO C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001501172031 1113227449 /nfs/dbraw/zinc/22/74/49/1113227449.db2.gz LYBWSBBDTHZWFU-WCXIOVBPSA-N 1 3 339.911 2.440 10 30 EEEEHO C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001501172031 1113227451 /nfs/dbraw/zinc/22/74/51/1113227451.db2.gz LYBWSBBDTHZWFU-WCXIOVBPSA-N 1 3 339.911 2.440 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC001507298915 1115180506 /nfs/dbraw/zinc/18/05/06/1115180506.db2.gz RZVLBDGWAGSQQG-RDTXWAMCSA-N 1 3 346.450 2.117 10 30 EEEEHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC001507298913 1115180606 /nfs/dbraw/zinc/18/06/06/1115180606.db2.gz RZVLBDGWAGSQQG-KDOFPFPSSA-N 1 3 346.450 2.117 10 30 EEEEHO CC#CC[NH2+][C@H](CCNC(=O)CN1CC[C@@H](C)C1)Cc1ccccc1 ZINC001507390221 1115247180 /nfs/dbraw/zinc/24/71/80/1115247180.db2.gz SWDKLEIYFKBVCV-UYAOXDASSA-N 1 3 341.499 2.059 10 30 EEEEHO CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](N)CCCCC#N)C2)CC1 ZINC000594436305 468585712 /nfs/dbraw/zinc/58/57/12/468585712.db2.gz CXDZOKKWAMFEPI-ZWKOTPCHSA-N 1 3 334.508 2.368 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594441087 468589485 /nfs/dbraw/zinc/58/94/85/468589485.db2.gz MMDSUNHUAZVVTO-RBUKOAKNSA-N 1 3 342.487 2.426 10 30 EEEEHO N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594441087 468589487 /nfs/dbraw/zinc/58/94/87/468589487.db2.gz MMDSUNHUAZVVTO-RBUKOAKNSA-N 1 3 342.487 2.426 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594441086 468589542 /nfs/dbraw/zinc/58/95/42/468589542.db2.gz MMDSUNHUAZVVTO-OALUTQOASA-N 1 3 342.487 2.426 10 30 EEEEHO N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594441086 468589544 /nfs/dbraw/zinc/58/95/44/468589544.db2.gz MMDSUNHUAZVVTO-OALUTQOASA-N 1 3 342.487 2.426 10 30 EEEEHO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cc(C#N)nc2ccccc21 ZINC000596359359 469250342 /nfs/dbraw/zinc/25/03/42/469250342.db2.gz BFCSZKURDMALJA-HNNXBMFYSA-N 1 3 325.460 2.212 10 30 EEEEHO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cc(C#N)nc2ccccc21 ZINC000596359359 469250347 /nfs/dbraw/zinc/25/03/47/469250347.db2.gz BFCSZKURDMALJA-HNNXBMFYSA-N 1 3 325.460 2.212 10 30 EEEEHO C[NH+](C)CCCCC(=O)NC[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001266544640 1176802725 /nfs/dbraw/zinc/80/27/25/1176802725.db2.gz FKOZYQASUROXOM-LJQANCHMSA-N 1 3 342.487 2.228 10 30 EEEEHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCNCc2ccc(C#N)s2)C1 ZINC001266813086 1177472114 /nfs/dbraw/zinc/47/21/14/1177472114.db2.gz DFUBZAQAFCAYLS-HNNXBMFYSA-N 1 3 348.516 2.290 10 30 EEEEHO CCC[N@H+]1CCC[C@H](C(=O)N(C)CCNCc2ccc(C#N)s2)C1 ZINC001266813086 1177472118 /nfs/dbraw/zinc/47/21/18/1177472118.db2.gz DFUBZAQAFCAYLS-HNNXBMFYSA-N 1 3 348.516 2.290 10 30 EEEEHO C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1 ZINC001267093837 1178225761 /nfs/dbraw/zinc/22/57/61/1178225761.db2.gz PBHMBEKNOMONRQ-OALUTQOASA-N 1 3 327.472 2.402 10 30 EEEEHO C#CC[NH+]1CCC(CCNC(=O)c2cccc(CN(C)C)c2)CC1 ZINC001267948481 1180808811 /nfs/dbraw/zinc/80/88/11/1180808811.db2.gz HMQTZGPNIJGADQ-UHFFFAOYSA-N 1 3 327.472 2.213 10 30 EEEEHO CC(C)[C@H](C(=O)N[C@H](C)CNCC#Cc1ccc(Cl)cc1)[NH+](C)C ZINC001268671489 1183600343 /nfs/dbraw/zinc/60/03/43/1183600343.db2.gz UKNYLIRAWKQNLP-CRAIPNDOSA-N 1 3 349.906 2.372 10 30 EEEEHO CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NCC#Cc1ccc(F)cc1 ZINC001269498109 1184320773 /nfs/dbraw/zinc/32/07/73/1184320773.db2.gz NYGDJZQPTIMZMJ-OALUTQOASA-N 1 3 347.478 2.248 10 30 EEEEHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC#Cc1ccccc1Cl ZINC001269510929 1184332695 /nfs/dbraw/zinc/33/26/95/1184332695.db2.gz SYYKWDMTQIOORF-IAGOWNOFSA-N 1 3 347.890 2.128 10 30 EEEEHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC#Cc1ccccc1Cl ZINC001269510929 1184332704 /nfs/dbraw/zinc/33/27/04/1184332704.db2.gz SYYKWDMTQIOORF-IAGOWNOFSA-N 1 3 347.890 2.128 10 30 EEEEHO CC(C)[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC#Cc1ccccc1 ZINC001482532912 1186537247 /nfs/dbraw/zinc/53/72/47/1186537247.db2.gz IXQUKSARHZYLBC-HXUWFJFHSA-N 1 3 341.499 2.253 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@H+](C)CCc2ccccc2)CC1 ZINC001483422362 1190469268 /nfs/dbraw/zinc/46/92/68/1190469268.db2.gz WMMKIKDCFURXEC-GOSISDBHSA-N 1 3 341.499 2.011 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001483422362 1190469270 /nfs/dbraw/zinc/46/92/70/1190469270.db2.gz WMMKIKDCFURXEC-GOSISDBHSA-N 1 3 341.499 2.011 10 30 EEEEHO C=C(Cl)CN1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001483799022 1191036810 /nfs/dbraw/zinc/03/68/10/1191036810.db2.gz LVSPRDLSFXCKRP-MRXNPFEDSA-N 1 3 327.900 2.251 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@H](C)C1)C1CC[NH+](CCC(=C)C)CC1 ZINC001483987670 1191143478 /nfs/dbraw/zinc/14/34/78/1191143478.db2.gz ZEWPQGDMEGCBOW-SFHVURJKSA-N 1 3 331.504 2.221 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000876932338 1199822852 /nfs/dbraw/zinc/82/28/52/1199822852.db2.gz KERGAZKACJOBEP-GVDBMIGSSA-N 1 3 333.863 2.189 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000876932338 1199822856 /nfs/dbraw/zinc/82/28/56/1199822856.db2.gz KERGAZKACJOBEP-GVDBMIGSSA-N 1 3 333.863 2.189 10 30 EEEEHO C#CCN1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001489347610 1290531032 /nfs/dbraw/zinc/53/10/32/1290531032.db2.gz BNSAVPUNOCPDHC-SFHVURJKSA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001278183971 1306209033 /nfs/dbraw/zinc/20/90/33/1306209033.db2.gz FQLOEKTXJUAXQB-AATRIKPKSA-N 1 3 328.460 2.235 10 30 EEEEHO C[NH+](C)CCCC(=O)NC[C@H]1C[C@@H](NCC#Cc2ccc(F)cc2)C1 ZINC001264402358 1322691802 /nfs/dbraw/zinc/69/18/02/1322691802.db2.gz ZQYLLAMSCXYOPM-IZAXUBKRSA-N 1 3 345.462 2.003 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2csc(C)c2)CC1 ZINC001282244193 1325667395 /nfs/dbraw/zinc/66/73/95/1325667395.db2.gz ZEGZXTQEHYGTAC-CVEARBPZSA-N 1 3 347.528 2.385 10 30 EEEEHO C=CCC[NH2+][C@H]1CN(C(=O)CN(C)C(C)C)CC[C@@H]1C(F)(F)F ZINC001284738120 1326690247 /nfs/dbraw/zinc/69/02/47/1326690247.db2.gz SPRYUTNQQQZFSJ-KBPBESRZSA-N 1 3 335.414 2.272 10 30 EEEEHO C=C(Br)CNCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001320450974 1332886935 /nfs/dbraw/zinc/88/69/35/1332886935.db2.gz SMSVHADUDRSQLE-KGLIPLIRSA-N 1 3 346.313 2.254 10 30 EEEEHO C=C(Br)CNCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001320450974 1332886939 /nfs/dbraw/zinc/88/69/39/1332886939.db2.gz SMSVHADUDRSQLE-KGLIPLIRSA-N 1 3 346.313 2.254 10 30 EEEEHO C=C(Br)CNCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001320450973 1332887073 /nfs/dbraw/zinc/88/70/73/1332887073.db2.gz SMSVHADUDRSQLE-KBPBESRZSA-N 1 3 346.313 2.254 10 30 EEEEHO C=C(Br)CNCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001320450973 1332887076 /nfs/dbraw/zinc/88/70/76/1332887076.db2.gz SMSVHADUDRSQLE-KBPBESRZSA-N 1 3 346.313 2.254 10 30 EEEEHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001320642812 1332927129 /nfs/dbraw/zinc/92/71/29/1332927129.db2.gz BCMVPMQJKQYYLG-VQIMIIECSA-N 1 3 342.487 2.417 10 30 EEEEHO CN(CCC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCCCN1C ZINC001322569442 1333285295 /nfs/dbraw/zinc/28/52/95/1333285295.db2.gz KTWHEMTXUQGILS-GOSISDBHSA-N 1 3 346.450 2.120 10 30 EEEEHO CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001570219863 1343035042 /nfs/dbraw/zinc/03/50/42/1343035042.db2.gz IGALVEBRLDZRTN-MOPGFXCFSA-N 1 3 333.520 2.301 10 30 EEEEHO CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CN(C)C(C)C)C2)C1 ZINC001570219863 1343035050 /nfs/dbraw/zinc/03/50/50/1343035050.db2.gz IGALVEBRLDZRTN-MOPGFXCFSA-N 1 3 333.520 2.301 10 30 EEEEHO C#CCN(C(=O)CN1CC[C@@H](C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001671492244 1356349827 /nfs/dbraw/zinc/34/98/27/1356349827.db2.gz ULAHDENYOCHVPF-GOSISDBHSA-N 1 3 345.531 2.445 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC/C=C\CC)CC1 ZINC001691839532 1404950211 /nfs/dbraw/zinc/95/02/11/1404950211.db2.gz OMHKTSDGFVHHCU-GGJLBNBESA-N 1 3 343.515 2.363 10 30 EEEEHO C#CCN1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC/C=C\CC)CC1 ZINC001691839532 1404950223 /nfs/dbraw/zinc/95/02/23/1404950223.db2.gz OMHKTSDGFVHHCU-GGJLBNBESA-N 1 3 343.515 2.363 10 30 EEEEHO C=CCN1CCC(NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000917142325 798117513 /nfs/dbraw/zinc/11/75/13/798117513.db2.gz ZLZYFJUDLDKBON-UHFFFAOYSA-N 1 3 334.508 2.343 10 30 EEEEHO C#CCC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001479615924 1098639831 /nfs/dbraw/zinc/63/98/31/1098639831.db2.gz YXGHFUPOYFWZSK-QRQLOZEOSA-N 1 3 331.504 2.099 10 30 EEEEHO C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CN(C)C3CCC3)C(C)(C)[C@H]21 ZINC001479615924 1098639837 /nfs/dbraw/zinc/63/98/37/1098639837.db2.gz YXGHFUPOYFWZSK-QRQLOZEOSA-N 1 3 331.504 2.099 10 30 EEEEHO C[C@H](NCc1ccccc1C#N)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001444826784 1099772321 /nfs/dbraw/zinc/77/23/21/1099772321.db2.gz YTNNMQNOURMDQE-QFBILLFUSA-N 1 3 342.487 2.227 10 30 EEEEHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001447860164 1103464299 /nfs/dbraw/zinc/46/42/99/1103464299.db2.gz AYVSJAPZLGURMX-LSDHHAIUSA-N 1 3 328.460 2.025 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCCC)CC2)CC1 ZINC001502147451 1113616171 /nfs/dbraw/zinc/61/61/71/1113616171.db2.gz JODNXBYOHLOWNZ-IBGZPJMESA-N 1 3 333.520 2.493 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CCC[N@H+](CCCCC)CC2)CC1 ZINC001502147451 1113616172 /nfs/dbraw/zinc/61/61/72/1113616172.db2.gz JODNXBYOHLOWNZ-IBGZPJMESA-N 1 3 333.520 2.493 10 30 EEEEHO C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1N(Cc1cccc(C#N)c1)CC2 ZINC001507352124 1115215239 /nfs/dbraw/zinc/21/52/39/1115215239.db2.gz WRQWJJOPIQNQLN-UYAOXDASSA-N 1 3 340.471 2.123 10 30 EEEEHO C#CCCN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001507372044 1115230385 /nfs/dbraw/zinc/23/03/85/1115230385.db2.gz DNRMQVHPUWCKNW-QZTJIDSGSA-N 1 3 333.520 2.491 10 30 EEEEHO C#CCCN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001507372048 1115230735 /nfs/dbraw/zinc/23/07/35/1115230735.db2.gz DNRMQVHPUWCKNW-ZWKOTPCHSA-N 1 3 333.520 2.491 10 30 EEEEHO C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)C(C)C ZINC000417070006 466770275 /nfs/dbraw/zinc/77/02/75/466770275.db2.gz UZNSLGDADPXDEG-OKZBNKHCSA-N 1 3 334.508 2.078 10 30 EEEEHO N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000594446122 468591126 /nfs/dbraw/zinc/59/11/26/468591126.db2.gz PNSXKGDOTXTEHC-CABCVRRESA-N 1 3 334.489 2.412 10 30 EEEEHO CC[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000085146261 528803343 /nfs/dbraw/zinc/80/33/43/528803343.db2.gz REWDIEWUCIUBPV-MRXNPFEDSA-N 1 3 336.524 2.254 10 30 EEEEHO C=C(CC[NH+](C)C)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000899981121 693948668 /nfs/dbraw/zinc/94/86/68/693948668.db2.gz MUOIPAJGDYILRB-UHFFFAOYSA-N 1 3 330.476 2.275 10 30 EEEEHO C#CC[NH2+]CCC1CCN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001267914952 1180756088 /nfs/dbraw/zinc/75/60/88/1180756088.db2.gz SJESEVSNWRHSQD-LJQANCHMSA-N 1 3 337.483 2.050 10 30 EEEEHO CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCCN2C(C)C)CC1 ZINC001267946865 1180808236 /nfs/dbraw/zinc/80/82/36/1180808236.db2.gz CFIWHYJKCMEWFP-IBGZPJMESA-N 1 3 333.520 2.491 10 30 EEEEHO CCCN1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC001481817088 1182734802 /nfs/dbraw/zinc/73/48/02/1182734802.db2.gz SMIQXCZGIVTQRQ-MOPGFXCFSA-N 1 3 342.487 2.417 10 30 EEEEHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001482367929 1185528228 /nfs/dbraw/zinc/52/82/28/1185528228.db2.gz CINWNEQIXYJSGS-AZUAARDMSA-N 1 3 341.499 2.349 10 30 EEEEHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC#Cc1ccccc1 ZINC001482367929 1185528233 /nfs/dbraw/zinc/52/82/33/1185528233.db2.gz CINWNEQIXYJSGS-AZUAARDMSA-N 1 3 341.499 2.349 10 30 EEEEHO C=C(C)CC[NH2+]C1(CNC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC001670854620 1187507806 /nfs/dbraw/zinc/50/78/06/1187507806.db2.gz GWPJZWJJPNPZLM-GOSISDBHSA-N 1 3 325.472 2.404 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@H+](C)Cc2cccc(C)c2)CC1 ZINC001483420469 1190466728 /nfs/dbraw/zinc/46/67/28/1190466728.db2.gz JHJSJXHNIAOYLD-SFHVURJKSA-N 1 3 341.499 2.277 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@@H](C)C[N@@H+](C)Cc2cccc(C)c2)CC1 ZINC001483420469 1190466730 /nfs/dbraw/zinc/46/67/30/1190466730.db2.gz JHJSJXHNIAOYLD-SFHVURJKSA-N 1 3 341.499 2.277 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001484522277 1191396969 /nfs/dbraw/zinc/39/69/69/1191396969.db2.gz GFGXADBRKRVCSZ-CVEARBPZSA-N 1 3 327.900 2.442 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001484522277 1191396972 /nfs/dbraw/zinc/39/69/72/1191396972.db2.gz GFGXADBRKRVCSZ-CVEARBPZSA-N 1 3 327.900 2.442 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[C@H](C)[NH2+]CCc2cccs2)CC1 ZINC001485002613 1191607632 /nfs/dbraw/zinc/60/76/32/1191607632.db2.gz CAZYIVVCZYBJEB-INIZCTEOSA-N 1 3 347.528 2.120 10 30 EEEEHO C=C(Br)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001410949483 1198615179 /nfs/dbraw/zinc/61/51/79/1198615179.db2.gz FXOQPXGUIKDSNR-ZIAGYGMSSA-N 1 3 346.313 2.110 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000876734360 1199746254 /nfs/dbraw/zinc/74/62/54/1199746254.db2.gz CZRZSZPHAJZJNR-IAGOWNOFSA-N 1 3 335.879 2.485 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876734360 1199746256 /nfs/dbraw/zinc/74/62/56/1199746256.db2.gz CZRZSZPHAJZJNR-IAGOWNOFSA-N 1 3 335.879 2.485 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000876741333 1199751033 /nfs/dbraw/zinc/75/10/33/1199751033.db2.gz QMUWJAXZAMDKPY-IAGOWNOFSA-N 1 3 335.879 2.137 10 30 EEEEHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000876741333 1199751038 /nfs/dbraw/zinc/75/10/38/1199751038.db2.gz QMUWJAXZAMDKPY-IAGOWNOFSA-N 1 3 335.879 2.137 10 30 EEEEHO C#CCC[NH2+]C1(C)CCN(C(=O)c2cccc(CN(C)C)c2)CC1 ZINC001274398356 1205021424 /nfs/dbraw/zinc/02/14/24/1205021424.db2.gz KWQYWHMHKYMCEB-UHFFFAOYSA-N 1 3 327.472 2.356 10 30 EEEEHO O=C(C#CC1CC[NH2+]CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000852858998 1292217805 /nfs/dbraw/zinc/21/78/05/1292217805.db2.gz LDACFACDFJMVPH-FQEVSTJZSA-N 1 3 339.483 2.333 10 30 EEEEHO C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)CN(CC)CC)C2 ZINC001278336025 1309553149 /nfs/dbraw/zinc/55/31/49/1309553149.db2.gz OBPLCLLYGJOQMO-IEBWSBKVSA-N 1 3 337.483 2.004 10 30 EEEEHO C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)CN(CC)CC)C2 ZINC001278336025 1309553157 /nfs/dbraw/zinc/55/31/57/1309553157.db2.gz OBPLCLLYGJOQMO-IEBWSBKVSA-N 1 3 337.483 2.004 10 30 EEEEHO C=CCCC[C@H](N)C(=O)N[C@H]1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC001263186430 1322442022 /nfs/dbraw/zinc/44/20/22/1322442022.db2.gz BVCMHRDMDVZPTJ-IRXDYDNUSA-N 1 3 343.471 2.432 10 30 EEEEHO C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001265396276 1323126764 /nfs/dbraw/zinc/12/67/64/1323126764.db2.gz AEGLTLJRHDTAFW-MOPGFXCFSA-N 1 3 333.520 2.443 10 30 EEEEHO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(C)C)C1 ZINC001265396276 1323126768 /nfs/dbraw/zinc/12/67/68/1323126768.db2.gz AEGLTLJRHDTAFW-MOPGFXCFSA-N 1 3 333.520 2.443 10 30 EEEEHO C=CCOCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC001265733953 1323355754 /nfs/dbraw/zinc/35/57/54/1323355754.db2.gz JUSUILBYGFYOTC-ABHNRTSZSA-N 1 3 337.508 2.079 10 30 EEEEHO C=CCC[C@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001282773592 1325782218 /nfs/dbraw/zinc/78/22/18/1325782218.db2.gz STEVFMXTBZNCCX-PXNSSMCTSA-N 1 3 349.519 2.129 10 30 EEEEHO C=CCC[C@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)C1 ZINC001282773592 1325782221 /nfs/dbraw/zinc/78/22/21/1325782221.db2.gz STEVFMXTBZNCCX-PXNSSMCTSA-N 1 3 349.519 2.129 10 30 EEEEHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001492031332 1330455934 /nfs/dbraw/zinc/45/59/34/1330455934.db2.gz KJRFMHZGQXLNNA-VQIMIIECSA-N 1 3 342.487 2.417 10 30 EEEEHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)NCc1ccccc1C#N ZINC001492031332 1330455942 /nfs/dbraw/zinc/45/59/42/1330455942.db2.gz KJRFMHZGQXLNNA-VQIMIIECSA-N 1 3 342.487 2.417 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CC/C=C\CC)[C@@H]2C)CC1 ZINC001316799850 1331899596 /nfs/dbraw/zinc/89/95/96/1331899596.db2.gz KYOGRZUBSLXWNO-IIFCEKJISA-N 1 3 331.504 2.267 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CC/C=C\CC)[C@@H]2C)CC1 ZINC001316799850 1331899604 /nfs/dbraw/zinc/89/96/04/1331899604.db2.gz KYOGRZUBSLXWNO-IIFCEKJISA-N 1 3 331.504 2.267 10 30 EEEEHO C=C(Cl)CNCC[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001318805945 1332601956 /nfs/dbraw/zinc/60/19/56/1332601956.db2.gz TYFRRHCDSBJBDC-RDJZCZTQSA-N 1 3 339.911 2.299 10 30 EEEEHO C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001320445214 1332884883 /nfs/dbraw/zinc/88/48/83/1332884883.db2.gz GVZIKKNJXBHVBZ-HNNXBMFYSA-N 1 3 328.460 2.027 10 30 EEEEHO C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)C1(N(C)C)CCC1 ZINC001320445215 1332885204 /nfs/dbraw/zinc/88/52/04/1332885204.db2.gz GVZIKKNJXBHVBZ-OAHLLOKOSA-N 1 3 328.460 2.027 10 30 EEEEHO C[C@H](CNCC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001321522654 1333118144 /nfs/dbraw/zinc/11/81/44/1333118144.db2.gz QOUKYRDEWNBOQH-IIDMSEBBSA-N 1 3 347.890 2.126 10 30 EEEEHO C[C@H](CNCC#Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001321522654 1333118151 /nfs/dbraw/zinc/11/81/51/1333118151.db2.gz QOUKYRDEWNBOQH-IIDMSEBBSA-N 1 3 347.890 2.126 10 30 EEEEHO C#CCN(C(=O)Cc1c[nH]cn1)C1CC[NH+](CCCC(C)C)CC1 ZINC001324427017 1333680848 /nfs/dbraw/zinc/68/08/48/1333680848.db2.gz RDMOCWFHFRPCLT-UHFFFAOYSA-N 1 3 330.476 2.315 10 30 EEEEHO C#CCN(C(=O)[C@@H](CC)N(C)C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001324440477 1333684297 /nfs/dbraw/zinc/68/42/97/1333684297.db2.gz WXYZKPDQYPDRDG-NVXWUHKLSA-N 1 3 325.472 2.001 10 30 EEEEHO C#CCN1CCC(C(=O)N(C)CC(C)(C)C[NH2+]CC(=C)Cl)CC1 ZINC001329358233 1334633709 /nfs/dbraw/zinc/63/37/09/1334633709.db2.gz LECDHCYECFGUKY-UHFFFAOYSA-N 1 3 339.911 2.158 10 30 EEEEHO C=CCOCCN1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001329922111 1334740628 /nfs/dbraw/zinc/74/06/28/1334740628.db2.gz AFYWRENEXNCAQM-GOSISDBHSA-N 1 3 349.519 2.178 10 30 EEEEHO C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1cc(N)ccn1)C(C)C ZINC001331368124 1335003297 /nfs/dbraw/zinc/00/32/97/1335003297.db2.gz JQMPKTSIAJXSFI-QGZVFWFLSA-N 1 3 331.464 2.162 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2cccc(F)c2)CC1 ZINC001666672801 1355563641 /nfs/dbraw/zinc/56/36/41/1355563641.db2.gz KAGHKTPBOLGQKE-INIZCTEOSA-N 1 3 345.462 2.013 10 30 EEEEHO CC(C)(C(=O)NC/C=C/CNCc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001699292224 1405322867 /nfs/dbraw/zinc/32/28/67/1405322867.db2.gz ONHBLLRPYQIZMB-ONEGZZNKSA-N 1 3 340.471 2.195 10 30 EEEEHO CCCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001480472624 1100280672 /nfs/dbraw/zinc/28/06/72/1100280672.db2.gz QNJZCFQDDDSXQG-YJBOKZPZSA-N 1 3 328.460 2.027 10 30 EEEEHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCc1ccc(C#N)s1 ZINC001480481004 1100289439 /nfs/dbraw/zinc/28/94/39/1100289439.db2.gz UZGLLXKUPSNZIN-KBPBESRZSA-N 1 3 334.489 2.088 10 30 EEEEHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCc1ccc(C#N)s1 ZINC001480481004 1100289442 /nfs/dbraw/zinc/28/94/42/1100289442.db2.gz UZGLLXKUPSNZIN-KBPBESRZSA-N 1 3 334.489 2.088 10 30 EEEEHO C#CCN1CCC(C(=O)NCC2C[NH+](CC/C=C\CCC)C2)CC1 ZINC001494633726 1104218092 /nfs/dbraw/zinc/21/80/92/1104218092.db2.gz TVZREGSJVQJIFM-SREVYHEPSA-N 1 3 331.504 2.126 10 30 EEEEHO C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)CN1CC[C@@H](C)C1 ZINC001506938241 1114987389 /nfs/dbraw/zinc/98/73/89/1114987389.db2.gz NXVDMPLGIDNUHV-RTBURBONSA-N 1 3 341.499 2.254 10 30 EEEEHO C[C@@H]1[C@H](NCc2ccc(C#N)s2)CCN1C(=O)CCCC[NH+](C)C ZINC001507294497 1115178355 /nfs/dbraw/zinc/17/83/55/1115178355.db2.gz ZTXPVOZOULJFNI-RHSMWYFYSA-N 1 3 348.516 2.431 10 30 EEEEHO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182896024 464752468 /nfs/dbraw/zinc/75/24/68/464752468.db2.gz DYNKTGLHZKUDJY-IBGZPJMESA-N 1 3 342.487 2.169 10 30 EEEEHO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182896024 464752471 /nfs/dbraw/zinc/75/24/71/464752471.db2.gz DYNKTGLHZKUDJY-IBGZPJMESA-N 1 3 342.487 2.169 10 30 EEEEHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CCCCC#N ZINC000594436349 468585697 /nfs/dbraw/zinc/58/56/97/468585697.db2.gz DFMZMPSYQAEVCQ-RTBURBONSA-N 1 3 342.487 2.378 10 30 EEEEHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CCCCC#N ZINC000594436349 468585704 /nfs/dbraw/zinc/58/57/04/468585704.db2.gz DFMZMPSYQAEVCQ-RTBURBONSA-N 1 3 342.487 2.378 10 30 EEEEHO Cc1ccc(NC(=O)[C@H](N)CCCCC#N)c(OCC[NH+](C)C)c1 ZINC000594438624 468586442 /nfs/dbraw/zinc/58/64/42/468586442.db2.gz OXCAJYFLZMHPEB-OAHLLOKOSA-N 1 3 332.448 2.285 10 30 EEEEHO C=CC[C@H]1CCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000623564670 469695252 /nfs/dbraw/zinc/69/52/52/469695252.db2.gz MYOFSWHIZMKWLT-INIZCTEOSA-N 1 3 334.508 2.153 10 30 EEEEHO C#CCNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485825007 1193464343 /nfs/dbraw/zinc/46/43/43/1193464343.db2.gz WWTRGXXNYCIHEU-RBUKOAKNSA-N 1 3 331.504 2.243 10 30 EEEEHO C#CCNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001485825007 1193464345 /nfs/dbraw/zinc/46/43/45/1193464345.db2.gz WWTRGXXNYCIHEU-RBUKOAKNSA-N 1 3 331.504 2.243 10 30 EEEEHO C#CCC[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001272650983 1190960211 /nfs/dbraw/zinc/96/02/11/1190960211.db2.gz AVXBCDUDTSXJEP-QGZVFWFLSA-N 1 3 327.472 2.213 10 30 EEEEHO C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001484123523 1191222913 /nfs/dbraw/zinc/22/29/13/1191222913.db2.gz AYHKZUOAHZWETL-HXUWFJFHSA-N 1 3 327.472 2.213 10 30 EEEEHO C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCCN2C(C)C)CCOCC1 ZINC001484862901 1191554601 /nfs/dbraw/zinc/55/46/01/1191554601.db2.gz UMADUYNNDQDKIO-QGZVFWFLSA-N 1 3 337.508 2.080 10 30 EEEEHO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(CN2CCC(O)CC2)c1 ZINC000876725474 1199741359 /nfs/dbraw/zinc/74/13/59/1199741359.db2.gz JWFBEIWLKFNTSH-MRXNPFEDSA-N 1 3 337.851 2.052 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000876734362 1199746331 /nfs/dbraw/zinc/74/63/31/1199746331.db2.gz CZRZSZPHAJZJNR-SJORKVTESA-N 1 3 335.879 2.485 10 30 EEEEHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000876734362 1199746333 /nfs/dbraw/zinc/74/63/33/1199746333.db2.gz CZRZSZPHAJZJNR-SJORKVTESA-N 1 3 335.879 2.485 10 30 EEEEHO CN(C)C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000852886260 1292224942 /nfs/dbraw/zinc/22/49/42/1292224942.db2.gz ZPDTUASMXOBZTM-KRWDZBQOSA-N 1 3 333.863 2.062 10 30 EEEEHO C#CCN(C[C@H]1C[C@@H](OC)C1)C1CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1 ZINC001119320624 1309047052 /nfs/dbraw/zinc/04/70/52/1309047052.db2.gz VTPYDORZMMHVTO-FMNOTZITSA-N 1 3 334.504 2.236 10 30 EEEEHO C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001281073088 1324753653 /nfs/dbraw/zinc/75/36/53/1324753653.db2.gz UMRDHSYELZJQJG-YLJYHZDGSA-N 1 3 341.499 2.447 10 30 EEEEHO C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001281073088 1324753656 /nfs/dbraw/zinc/75/36/56/1324753656.db2.gz UMRDHSYELZJQJG-YLJYHZDGSA-N 1 3 341.499 2.447 10 30 EEEEHO C[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)CN1C(=O)CCC[NH+](C)C ZINC001284005008 1326359186 /nfs/dbraw/zinc/35/91/86/1326359186.db2.gz VBRPWGMZDNOXJG-LPHOPBHVSA-N 1 3 345.462 2.098 10 30 EEEEHO C=CC[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@H]1C(F)(F)F ZINC001316726570 1331842344 /nfs/dbraw/zinc/84/23/44/1331842344.db2.gz GQUQJDFMZKSSHB-UONOGXRCSA-N 1 3 347.425 2.273 10 30 EEEEHO C#CCN1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001317007813 1332042431 /nfs/dbraw/zinc/04/24/31/1332042431.db2.gz RMFNVCZCURATIH-QZTJIDSGSA-N 1 3 331.504 2.101 10 30 EEEEHO C#CCN1CCC(C(=O)NC[C@H]([NH2+]CCC=C)c2ccccc2)CC1 ZINC001317729975 1332391497 /nfs/dbraw/zinc/39/14/97/1332391497.db2.gz ZDDAQZIWBCRYKB-FQEVSTJZSA-N 1 3 339.483 2.355 10 30 EEEEHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1Cl)N(C)C ZINC001319206399 1332665082 /nfs/dbraw/zinc/66/50/82/1332665082.db2.gz DKNVRXNCZRCBEW-CRAIPNDOSA-N 1 3 349.906 2.374 10 30 EEEEHO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001325630242 1333928174 /nfs/dbraw/zinc/92/81/74/1333928174.db2.gz UFEOLCQUEOHREL-AKHDSKFASA-N 1 3 331.504 2.243 10 30 EEEEHO C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C2 ZINC001325630242 1333928177 /nfs/dbraw/zinc/92/81/77/1333928177.db2.gz UFEOLCQUEOHREL-AKHDSKFASA-N 1 3 331.504 2.243 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@@H+](CC)Cc2ccc(C)cc2)CC1 ZINC001663461439 1354965063 /nfs/dbraw/zinc/96/50/63/1354965063.db2.gz MAGWBIVYOVKPBL-UHFFFAOYSA-N 1 3 341.499 2.278 10 30 EEEEHO C#CCN1CCC(C(=O)NCC[N@H+](CC)Cc2ccc(C)cc2)CC1 ZINC001663461439 1354965065 /nfs/dbraw/zinc/96/50/65/1354965065.db2.gz MAGWBIVYOVKPBL-UHFFFAOYSA-N 1 3 341.499 2.278 10 30 EEEEHO C#CC[NH2+]CC[C@H]1CCCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC001666172538 1355474879 /nfs/dbraw/zinc/47/48/79/1355474879.db2.gz IUMBFWQGYKPNFM-QGZVFWFLSA-N 1 3 327.472 2.213 10 30 EEEEHO C#CCN1CCC(C(=O)N[C@H](C[NH2+]C(C)C)C2CCCCC2)CC1 ZINC001667151504 1355658295 /nfs/dbraw/zinc/65/82/95/1355658295.db2.gz NCGWIWPAGQDKOS-LJQANCHMSA-N 1 3 333.520 2.395 10 30 EEEEHO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCCNCc1ccccc1C#N ZINC001670357945 1356326860 /nfs/dbraw/zinc/32/68/60/1356326860.db2.gz WYZPGSPNKYSXBA-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCCNCc1ccccc1C#N ZINC001670357945 1356326864 /nfs/dbraw/zinc/32/68/64/1356326864.db2.gz WYZPGSPNKYSXBA-LJQANCHMSA-N 1 3 342.487 2.371 10 30 EEEEHO C#CCN(C(=O)CN(C)CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001671504355 1356352779 /nfs/dbraw/zinc/35/27/79/1356352779.db2.gz YPRNYVRNKHZZPE-UHFFFAOYSA-N 1 3 341.499 2.455 10 30 EEEEHO CCN1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001699554174 1405392985 /nfs/dbraw/zinc/39/29/85/1405392985.db2.gz MLEGFFFDSXCCIB-FQEVSTJZSA-N 1 3 341.499 2.351 10 30 EEEEHO C#CCN(C(=O)NCC1([NH+](C)C)CCCCCC1)C1CCN(C)CC1 ZINC000913913671 794550174 /nfs/dbraw/zinc/55/01/74/794550174.db2.gz BHGPRMUMFSGTQY-UHFFFAOYSA-N 1 3 348.535 2.380 10 30 EEEEHO