smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102101223 844415604 /nfs/dbraw/zinc/41/56/04/844415604.db2.gz SJNIYSQKKCJOFE-OWCLPIDISA-N 1 3 350.507 0.539 20 30 FCEDHO C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102101223 844415606 /nfs/dbraw/zinc/41/56/06/844415606.db2.gz SJNIYSQKKCJOFE-OWCLPIDISA-N 1 3 350.507 0.539 20 30 FCEDHO CC(C)[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)N(C)C ZINC001104322717 844894521 /nfs/dbraw/zinc/89/45/21/844894521.db2.gz ZKFJAVVUMQXTAK-INMHGKMJSA-N 1 3 351.495 0.287 20 30 FCEDHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CN2CCOCC2)C[C@H]1C(F)(F)F ZINC001112206332 846462357 /nfs/dbraw/zinc/46/23/57/846462357.db2.gz NQVYVRWAEZGEFM-RBSFLKMASA-N 1 3 361.408 0.957 20 30 FCEDHO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548786 846521297 /nfs/dbraw/zinc/52/12/97/846521297.db2.gz RMXHSKDFKDTDRN-LPHOPBHVSA-N 1 3 350.507 0.849 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)[NH+](C)C)[n-]1 ZINC001130238172 848985185 /nfs/dbraw/zinc/98/51/85/848985185.db2.gz WZANCMRXLNTMJI-IHRRRGAJSA-N 1 3 350.467 0.409 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[n-]1 ZINC001130251345 848988701 /nfs/dbraw/zinc/98/87/01/848988701.db2.gz OVNATKOXXDUROB-KBPBESRZSA-N 1 3 350.467 0.409 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[n-]1 ZINC001130251345 848988707 /nfs/dbraw/zinc/98/87/07/848988707.db2.gz OVNATKOXXDUROB-KBPBESRZSA-N 1 3 350.467 0.409 20 30 FCEDHO C=CCOC[C@H](O)C[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001277777528 862070876 /nfs/dbraw/zinc/07/08/76/862070876.db2.gz WWJNSFBLVZDBLW-QGZVFWFLSA-N 1 3 353.507 0.816 20 30 FCEDHO CS(=O)(=O)O[C@H]1CN[C@H](C(=O)NCC2(CC3CCC3)CC[NH2+]CC2)C1 ZINC001221130496 856474719 /nfs/dbraw/zinc/47/47/19/856474719.db2.gz VAUMVJXOLWBDFA-CABCVRRESA-N 1 3 373.519 0.369 20 30 FCEDHO C[NH+]1CCC(N2CCC(NC(=O)N3C[C@@H]4COC[C@H](C3)O4)CC2)CC1 ZINC000328668238 488928798 /nfs/dbraw/zinc/92/87/98/488928798.db2.gz DPYZKCKHVDGMNO-CALCHBBNSA-N 1 3 352.479 0.559 20 30 FCEDHO C[C@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000114501972 488540772 /nfs/dbraw/zinc/54/07/72/488540772.db2.gz MTLWRLMHLAFWPZ-KRWDZBQOSA-N 1 3 373.501 0.865 20 30 FCEDHO C[C@H]1CN(CCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCCO1 ZINC000277558620 488788866 /nfs/dbraw/zinc/78/88/66/488788866.db2.gz ZMEVZERIGJIVCG-INIZCTEOSA-N 1 3 361.494 0.414 20 30 FCEDHO COCCN1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000329285457 488989324 /nfs/dbraw/zinc/98/93/24/488989324.db2.gz OIKAKMJXIYZFOG-RCCFBDPRSA-N 1 3 368.522 0.979 20 30 FCEDHO C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1=CC[N@H+](C)CC1 ZINC000329712903 489029570 /nfs/dbraw/zinc/02/95/70/489029570.db2.gz QSJQLLSRMTWDNP-DOTOQJQBSA-N 1 3 363.506 0.789 20 30 FCEDHO C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1=CC[N@@H+](C)CC1 ZINC000329712903 489029573 /nfs/dbraw/zinc/02/95/73/489029573.db2.gz QSJQLLSRMTWDNP-DOTOQJQBSA-N 1 3 363.506 0.789 20 30 FCEDHO C=CCN1CCC(NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000521849500 490303416 /nfs/dbraw/zinc/30/34/16/490303416.db2.gz KGFLERFMAWBJRY-UHFFFAOYSA-N 1 3 365.522 0.879 20 30 FCEDHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000423070465 490535390 /nfs/dbraw/zinc/53/53/90/490535390.db2.gz CRJMGXHIMWENGK-SFHVURJKSA-N 1 3 371.485 0.659 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000668835810 493418066 /nfs/dbraw/zinc/41/80/66/493418066.db2.gz KCWQYCSEHBMHGC-UHFFFAOYSA-N 1 3 362.518 0.991 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013721 493724966 /nfs/dbraw/zinc/72/49/66/493724966.db2.gz GEYCFQBUBTVDEI-HNNXBMFYSA-N 1 3 350.507 0.990 20 30 FCEDHO C[NH+]=C(NCCN1CCCN(C)CC1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261950187 526356260 /nfs/dbraw/zinc/35/62/60/526356260.db2.gz HDMCUTITTTUIHS-KRWDZBQOSA-N 1 3 360.506 0.748 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)CN1CCc2ccccc2C1 ZINC000264134199 529074477 /nfs/dbraw/zinc/07/44/77/529074477.db2.gz ZCORDPHFMWRVLR-MOPGFXCFSA-N 1 3 359.518 0.794 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419886548 535860863 /nfs/dbraw/zinc/86/08/63/535860863.db2.gz DDPRGZLSRMZKKC-ROUUACIJSA-N 1 3 371.485 0.835 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C2 ZINC001112524413 1183884775 /nfs/dbraw/zinc/88/47/75/1183884775.db2.gz MQEJYVPYSNBFCR-HQRMLTQVSA-N 1 3 362.518 0.540 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 ZINC000911236866 1195919767 /nfs/dbraw/zinc/91/97/67/1195919767.db2.gz VEWOSOYCKGIFMR-QZTJIDSGSA-N 1 3 356.470 0.884 20 30 FCEDHO N#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])c1ccccc1 ZINC001219557684 1224509666 /nfs/dbraw/zinc/50/96/66/1224509666.db2.gz BWQJNAMGLKVRLU-BBWFWOEESA-N 1 3 357.458 0.815 20 30 FCEDHO C=CCN1CC[C@@H](N2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1=O ZINC001093133370 1206032222 /nfs/dbraw/zinc/03/22/22/1206032222.db2.gz DAHKTRUGHJFHEH-BRWVUGGUSA-N 1 3 360.502 0.553 20 30 FCEDHO C=CCN1CC[C@H](N2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1=O ZINC001093133371 1206032893 /nfs/dbraw/zinc/03/28/93/1206032893.db2.gz DAHKTRUGHJFHEH-ZACQAIPSSA-N 1 3 360.502 0.553 20 30 FCEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)C1=O ZINC001093826032 1206124380 /nfs/dbraw/zinc/12/43/80/1206124380.db2.gz YIILAVCSRVPDIM-JFIYKMOQSA-N 1 3 362.518 0.942 20 30 FCEDHO C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188611251 1207466538 /nfs/dbraw/zinc/46/65/38/1207466538.db2.gz WHRISPPGRYVSFE-KZIZELGASA-N 1 3 361.486 0.585 20 30 FCEDHO C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188611251 1207466540 /nfs/dbraw/zinc/46/65/40/1207466540.db2.gz WHRISPPGRYVSFE-KZIZELGASA-N 1 3 361.486 0.585 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000884642807 1210770813 /nfs/dbraw/zinc/77/08/13/1210770813.db2.gz RABQSGMVKKLZED-INIZCTEOSA-N 1 3 364.490 0.028 20 30 FCEDHO C=CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047383848 1218136146 /nfs/dbraw/zinc/13/61/46/1218136146.db2.gz KAGLYMJHOLOCFQ-XWSJACJDSA-N 1 3 365.518 0.813 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804057881 1219111173 /nfs/dbraw/zinc/11/11/73/1219111173.db2.gz CEBOFANYWNMPKC-IRXDYDNUSA-N 1 3 364.490 0.123 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]CC(=C)C)[C@@H](n3ccnn3)C2)CC1 ZINC001070333782 1219383274 /nfs/dbraw/zinc/38/32/74/1219383274.db2.gz VHAPSVRWNLPVMC-MSOLQXFVSA-N 1 3 356.474 0.541 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1c1cncn1C ZINC001070700763 1219531532 /nfs/dbraw/zinc/53/15/32/1219531532.db2.gz LTDVEPSQYBUTGQ-IAGOWNOFSA-N 1 3 369.473 0.009 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC=C)C2)CC1 ZINC001070721363 1219542745 /nfs/dbraw/zinc/54/27/45/1219542745.db2.gz QRRYTCCMUQYXPE-QZTJIDSGSA-N 1 3 355.486 0.835 20 30 FCEDHO C=CCN1CC[C@H](N2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102513475 1220672282 /nfs/dbraw/zinc/67/22/82/1220672282.db2.gz MBFJJWNARNPFIS-ZACQAIPSSA-N 1 3 366.506 0.036 20 30 FCEDHO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103438375 1220882362 /nfs/dbraw/zinc/88/23/62/1220882362.db2.gz DNXJWJUZOAGBHM-IAGOWNOFSA-N 1 3 364.534 0.788 20 30 FCEDHO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CC(C)(C)C)C1 ZINC001103438375 1220882361 /nfs/dbraw/zinc/88/23/61/1220882361.db2.gz DNXJWJUZOAGBHM-IAGOWNOFSA-N 1 3 364.534 0.788 20 30 FCEDHO C=CCN1C(=O)CC[C@]12CCCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001159652778 1223132376 /nfs/dbraw/zinc/13/23/76/1223132376.db2.gz KDGPBWCEROPDKD-LSTHTHJFSA-N 1 3 360.502 0.745 20 30 FCEDHO N#Cc1ccc(N2CCCN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC2)nc1 ZINC001160603531 1223165819 /nfs/dbraw/zinc/16/58/19/1223165819.db2.gz SPEVYPQTWOJTPV-VQIMIIECSA-N 1 3 354.458 0.191 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NC3CC3)C2)CC1 ZINC001216842989 1224078146 /nfs/dbraw/zinc/07/81/46/1224078146.db2.gz QTJBRIHQQBKEBT-RVKKMQEKSA-N 1 3 360.502 0.435 20 30 FCEDHO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216853908 1224079319 /nfs/dbraw/zinc/07/93/19/1224079319.db2.gz ONFCCXLZCLOQIG-RBSFLKMASA-N 1 3 367.494 0.163 20 30 FCEDHO C#CCN1CCC(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001002475190 1252568027 /nfs/dbraw/zinc/56/80/27/1252568027.db2.gz VDVKIILPYAWNAW-CRAIPNDOSA-N 1 3 360.502 0.246 20 30 FCEDHO C#CCN1CCC(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001002475190 1252568036 /nfs/dbraw/zinc/56/80/36/1252568036.db2.gz VDVKIILPYAWNAW-CRAIPNDOSA-N 1 3 360.502 0.246 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3cnn(C)c3)C[C@H]2C)CC1 ZINC001080997949 1256133523 /nfs/dbraw/zinc/13/35/23/1256133523.db2.gz PWGPXOPHTZNIPU-VQIMIIECSA-N 1 3 357.502 0.744 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2C)CC1 ZINC001080997949 1256133528 /nfs/dbraw/zinc/13/35/28/1256133528.db2.gz PWGPXOPHTZNIPU-VQIMIIECSA-N 1 3 357.502 0.744 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2OC)CC1 ZINC001082383385 1256733992 /nfs/dbraw/zinc/73/39/92/1256733992.db2.gz VMMWCYINWVOPFD-RTBURBONSA-N 1 3 363.502 0.574 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2OC)CC1 ZINC001082383385 1256733999 /nfs/dbraw/zinc/73/39/99/1256733999.db2.gz VMMWCYINWVOPFD-RTBURBONSA-N 1 3 363.502 0.574 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)CC1 ZINC001082940905 1257159310 /nfs/dbraw/zinc/15/93/10/1257159310.db2.gz ADTHVXLHSDFHFG-KBAYOESNSA-N 1 3 360.502 0.389 20 30 FCEDHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCC#Cc2ccccc2)CC[N@@H+]1C ZINC001127695804 1259184940 /nfs/dbraw/zinc/18/49/40/1259184940.db2.gz ZDJHBWYLIJIIID-RBUKOAKNSA-N 1 3 370.497 0.590 20 30 FCEDHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCC#Cc2ccccc2)CC[N@H+]1C ZINC001127695804 1259184944 /nfs/dbraw/zinc/18/49/44/1259184944.db2.gz ZDJHBWYLIJIIID-RBUKOAKNSA-N 1 3 370.497 0.590 20 30 FCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC001323530669 1264448191 /nfs/dbraw/zinc/44/81/91/1264448191.db2.gz JQMITAMSRDSKHU-SFHVURJKSA-N 1 3 371.485 0.614 20 30 FCEDHO C=CCN1CC[C@H](N2C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C2)C1=O ZINC001102496689 844531431 /nfs/dbraw/zinc/53/14/31/844531431.db2.gz GQEFBMQQCOGQEM-ZACQAIPSSA-N 1 3 350.507 0.799 20 30 FCEDHO C=CCN1CC[C@H](N2C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C2)C1=O ZINC001102496689 844531440 /nfs/dbraw/zinc/53/14/40/844531440.db2.gz GQEFBMQQCOGQEM-ZACQAIPSSA-N 1 3 350.507 0.799 20 30 FCEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001104679119 844932207 /nfs/dbraw/zinc/93/22/07/844932207.db2.gz GTKQWDQEECJHQO-GVDBMIGSSA-N 1 3 350.507 0.705 20 30 FCEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)C1=O ZINC001107040661 845316682 /nfs/dbraw/zinc/31/66/82/845316682.db2.gz LLVLKLMMNUXULG-BRWVUGGUSA-N 1 3 350.507 0.798 20 30 FCEDHO C=CCOCCN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112194105 846452738 /nfs/dbraw/zinc/45/27/38/846452738.db2.gz NFIWQVQWXPRQTE-ZIAGYGMSSA-N 1 3 367.412 0.746 20 30 FCEDHO C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161536909 850270390 /nfs/dbraw/zinc/27/03/90/850270390.db2.gz LJZDXFCKDRCJSY-GJZGRUSLSA-N 1 3 350.463 0.764 20 30 FCEDHO C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161536909 850270396 /nfs/dbraw/zinc/27/03/96/850270396.db2.gz LJZDXFCKDRCJSY-GJZGRUSLSA-N 1 3 350.463 0.764 20 30 FCEDHO C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193738136 852479470 /nfs/dbraw/zinc/47/94/70/852479470.db2.gz OOVYOMBFMRGALQ-FGTMMUONSA-N 1 3 351.491 0.757 20 30 FCEDHO C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193738136 852479477 /nfs/dbraw/zinc/47/94/77/852479477.db2.gz OOVYOMBFMRGALQ-FGTMMUONSA-N 1 3 351.491 0.757 20 30 FCEDHO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CC(C)(C)C ZINC001228623692 857219907 /nfs/dbraw/zinc/21/99/07/857219907.db2.gz HBIFUUYEBVGHKU-HZPDHXFCSA-N 1 3 350.507 0.731 20 30 FCEDHO COc1ccc(C#N)c(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238239080 857465285 /nfs/dbraw/zinc/46/52/85/857465285.db2.gz BMUHDWXXWFIESY-AWEZNQCLSA-N 1 3 364.471 0.719 20 30 FCEDHO N#Cc1cc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)ccc1F ZINC001238244190 857466392 /nfs/dbraw/zinc/46/63/92/857466392.db2.gz XFNKPRCTHFQHKB-CYBMUJFWSA-N 1 3 352.435 0.850 20 30 FCEDHO N#Cc1cc(S(=O)(=O)NC[C@H]2CCC3(CC[NH2+]CC3)N2)ccc1F ZINC001238244190 857466397 /nfs/dbraw/zinc/46/63/97/857466397.db2.gz XFNKPRCTHFQHKB-CYBMUJFWSA-N 1 3 352.435 0.850 20 30 FCEDHO CCN1CCN(CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001346110811 871649785 /nfs/dbraw/zinc/64/97/85/871649785.db2.gz UZSAQKVCUHODRA-UHFFFAOYSA-N 1 3 364.515 0.949 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000284802555 213224758 /nfs/dbraw/zinc/22/47/58/213224758.db2.gz LDBUTCWBVLQGLV-UHFFFAOYSA-N 1 3 371.485 0.659 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000419566308 246204860 /nfs/dbraw/zinc/20/48/60/246204860.db2.gz GDKHOEFTCFPTJC-BRWVUGGUSA-N 1 3 350.507 0.997 20 30 FCEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)C(C)C ZINC000419576861 246207118 /nfs/dbraw/zinc/20/71/18/246207118.db2.gz YAHKBKWGXFKZJF-KRWDZBQOSA-N 1 3 350.507 0.999 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)C(C)C ZINC000419572757 246207694 /nfs/dbraw/zinc/20/76/94/246207694.db2.gz QXDSPMAHZKDKCE-APWZRJJASA-N 1 3 350.507 0.999 20 30 FCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000562808287 491190576 /nfs/dbraw/zinc/19/05/76/491190576.db2.gz NFBXQUNSJQNMHY-UHFFFAOYSA-N 1 3 366.853 0.497 20 30 FCEDHO CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000330221360 489081208 /nfs/dbraw/zinc/08/12/08/489081208.db2.gz LOJFFWLTJMITDR-BRWVUGGUSA-N 1 3 354.495 0.541 20 30 FCEDHO C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000369752930 489270810 /nfs/dbraw/zinc/27/08/10/489270810.db2.gz LTMABUIMJFLLKH-PKOBYXMFSA-N 1 3 374.529 0.923 20 30 FCEDHO C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000369752930 489270811 /nfs/dbraw/zinc/27/08/11/489270811.db2.gz LTMABUIMJFLLKH-PKOBYXMFSA-N 1 3 374.529 0.923 20 30 FCEDHO CC[NH2+][C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000420156059 489935261 /nfs/dbraw/zinc/93/52/61/489935261.db2.gz MICIFWXKXBCRKG-OAHLLOKOSA-N 1 3 359.474 0.563 20 30 FCEDHO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000423068933 490534805 /nfs/dbraw/zinc/53/48/05/490534805.db2.gz AHZRJSUVMLQKTF-YJBOKZPZSA-N 1 3 371.485 0.644 20 30 FCEDHO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000515582152 490832749 /nfs/dbraw/zinc/83/27/49/490832749.db2.gz POHFJUNHNGXQPL-CVEARBPZSA-N 1 3 354.495 0.036 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000519550548 490975606 /nfs/dbraw/zinc/97/56/06/490975606.db2.gz RJERTANMERSUON-QGZVFWFLSA-N 1 3 362.518 0.943 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000519550548 490975607 /nfs/dbraw/zinc/97/56/07/490975607.db2.gz RJERTANMERSUON-QGZVFWFLSA-N 1 3 362.518 0.943 20 30 FCEDHO C[NH+](C)CCN1CCC(NCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000567694069 491523202 /nfs/dbraw/zinc/52/32/02/491523202.db2.gz HLUCYNHYBVIVOK-UHFFFAOYSA-N 1 3 364.515 0.948 20 30 FCEDHO CCN1CCCC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000681341410 493757525 /nfs/dbraw/zinc/75/75/25/493757525.db2.gz ZJZHBBAICSCCFY-QZTJIDSGSA-N 1 3 362.518 0.971 20 30 FCEDHO CCN1CCCC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000681341410 493757526 /nfs/dbraw/zinc/75/75/26/493757526.db2.gz ZJZHBBAICSCCFY-QZTJIDSGSA-N 1 3 362.518 0.971 20 30 FCEDHO NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=[NH2+])N3CCOCC3)c2)C1 ZINC000267469467 534452138 /nfs/dbraw/zinc/45/21/38/534452138.db2.gz XJRYOWGRKXROHZ-KRWDZBQOSA-N 1 3 359.474 0.531 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCN(c2ncccn2)CC1 ZINC000264121153 529071734 /nfs/dbraw/zinc/07/17/34/529071734.db2.gz RBEDNRKYFWWQLG-QGZVFWFLSA-N 1 3 374.537 0.377 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCN(C)CC2)nc1 ZINC000264073984 529074941 /nfs/dbraw/zinc/07/49/41/529074941.db2.gz GUCUTZAXLVYINT-QGZVFWFLSA-N 1 3 359.522 0.722 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)CN1CCc2ccccc2C1 ZINC000264134202 529100526 /nfs/dbraw/zinc/10/05/26/529100526.db2.gz ZCORDPHFMWRVLR-OALUTQOASA-N 1 3 359.518 0.794 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000264134205 529101158 /nfs/dbraw/zinc/10/11/58/529101158.db2.gz ZCORDPHFMWRVLR-RBUKOAKNSA-N 1 3 359.518 0.794 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419862964 535860008 /nfs/dbraw/zinc/86/00/08/535860008.db2.gz DHPUGEREGCOJJU-UHFFFAOYSA-N 1 3 371.485 0.835 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419912353 535861245 /nfs/dbraw/zinc/86/12/45/535861245.db2.gz LCHPVAIFPYPZJU-QGZVFWFLSA-N 1 3 371.485 0.564 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1ccc(C)s1 ZINC000151420637 666530068 /nfs/dbraw/zinc/53/00/68/666530068.db2.gz WYPSLMFUAZOGOR-ZDUSSCGKSA-N 1 3 373.548 0.723 20 30 FCEDHO C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001691630234 1194588106 /nfs/dbraw/zinc/58/81/06/1194588106.db2.gz KOOXGEAJPQDBIL-JKSUJKDBSA-N 1 3 350.507 0.588 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCc4ncnn43)[C@@H]2C)CC1 ZINC001089059459 1196878954 /nfs/dbraw/zinc/87/89/54/1196878954.db2.gz MYFWAGCYKDDUNB-NXHRZFHOSA-N 1 3 370.501 0.690 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)[C@@H]2C)CC1 ZINC001089059459 1196878956 /nfs/dbraw/zinc/87/89/56/1196878956.db2.gz MYFWAGCYKDDUNB-NXHRZFHOSA-N 1 3 370.501 0.690 20 30 FCEDHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(CC#CCOC)CCO)CC2)CC[N@@H+]1C ZINC001098370883 1197797995 /nfs/dbraw/zinc/79/79/95/1197797995.db2.gz AQJLKRJTYWFYPZ-RBUKOAKNSA-N 1 3 365.518 0.652 20 30 FCEDHO CC[C@@H]1[C@@H](C(=O)N2CCC(N(CC#CCOC)CCO)CC2)CC[N@H+]1C ZINC001098370883 1197798004 /nfs/dbraw/zinc/79/80/04/1197798004.db2.gz AQJLKRJTYWFYPZ-RBUKOAKNSA-N 1 3 365.518 0.652 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586386 1200822486 /nfs/dbraw/zinc/82/24/86/1200822486.db2.gz XGTCZDOMXNUHLZ-UWVAXJGDSA-N 1 3 362.518 0.683 20 30 FCEDHO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@@H+](C)CC)[n-]1 ZINC001130244941 1201565349 /nfs/dbraw/zinc/56/53/49/1201565349.db2.gz SCHTVXWELRTMQI-GJZGRUSLSA-N 1 3 362.478 0.248 20 30 FCEDHO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@H+](C)CC)[n-]1 ZINC001130244941 1201565354 /nfs/dbraw/zinc/56/53/54/1201565354.db2.gz SCHTVXWELRTMQI-GJZGRUSLSA-N 1 3 362.478 0.248 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2ccnc2C)n1 ZINC001130249100 1201569383 /nfs/dbraw/zinc/56/93/83/1201569383.db2.gz JSZNOWQWUWPCLG-KBPBESRZSA-N 1 3 359.434 0.274 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2ccnc2C)[nH]1 ZINC001130249100 1201569384 /nfs/dbraw/zinc/56/93/84/1201569384.db2.gz JSZNOWQWUWPCLG-KBPBESRZSA-N 1 3 359.434 0.274 20 30 FCEDHO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[n-]1 ZINC001130251376 1201570605 /nfs/dbraw/zinc/57/06/05/1201570605.db2.gz QSRKGCWSSWOWFT-GJZGRUSLSA-N 1 3 364.494 0.799 20 30 FCEDHO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[n-]1 ZINC001130251376 1201570609 /nfs/dbraw/zinc/57/06/09/1201570609.db2.gz QSRKGCWSSWOWFT-GJZGRUSLSA-N 1 3 364.494 0.799 20 30 FCEDHO C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001130293068 1201578694 /nfs/dbraw/zinc/57/86/94/1201578694.db2.gz LBNNWFRUUHHBKH-LMMKCTJWSA-N 1 3 362.518 0.825 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnnn3C)[C@H](C)C2)CC1 ZINC001094239917 1206209609 /nfs/dbraw/zinc/20/96/09/1206209609.db2.gz JNIPKJFSGATJGR-NVXWUHKLSA-N 1 3 358.490 0.344 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3ccn(C)n3)[C@H](C)C2)CC1 ZINC001094239770 1206209789 /nfs/dbraw/zinc/20/97/89/1206209789.db2.gz BGWPXTIHBAOWPY-SJLPKXTDSA-N 1 3 357.502 0.949 20 30 FCEDHO C=C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276815428 1225015023 /nfs/dbraw/zinc/01/50/23/1225015023.db2.gz PTHOBRNOMXAONH-QZTJIDSGSA-N 1 3 364.534 0.389 20 30 FCEDHO C=C[C@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276815591 1225029995 /nfs/dbraw/zinc/02/99/95/1225029995.db2.gz RNXBNJLBHNDTLY-AZUAARDMSA-N 1 3 364.534 0.628 20 30 FCEDHO C=C[C@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276815591 1225030001 /nfs/dbraw/zinc/03/00/01/1225030001.db2.gz RNXBNJLBHNDTLY-AZUAARDMSA-N 1 3 364.534 0.628 20 30 FCEDHO N#Cc1ccccc1C(=O)N1CCC(NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001220915125 1225137889 /nfs/dbraw/zinc/13/78/89/1225137889.db2.gz NTFPXSKVLRSOGM-QGZVFWFLSA-N 1 3 367.453 0.088 20 30 FCEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000104174588 1210938328 /nfs/dbraw/zinc/93/83/28/1210938328.db2.gz HQYVBHZRDAEALC-HNNXBMFYSA-N 1 3 368.526 0.395 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926296404 1211528207 /nfs/dbraw/zinc/52/82/07/1211528207.db2.gz CUQGSTJYOVXPCB-GOSISDBHSA-N 1 3 371.485 0.646 20 30 FCEDHO C#CCN1CCC[C@H]1C(=O)NCc1n[nH]c([C@H]2CCO[C@H]2C[NH2+]CC)n1 ZINC001070354416 1219390935 /nfs/dbraw/zinc/39/09/35/1219390935.db2.gz IIWMPDOIZKPXIM-KKUMJFAQSA-N 1 3 360.462 0.001 20 30 FCEDHO CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001070382883 1219407674 /nfs/dbraw/zinc/40/76/74/1219407674.db2.gz XAHURQLMMWOGHS-SCTDSRPQSA-N 1 3 360.502 0.437 20 30 FCEDHO CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001070382883 1219407677 /nfs/dbraw/zinc/40/76/77/1219407677.db2.gz XAHURQLMMWOGHS-SCTDSRPQSA-N 1 3 360.502 0.437 20 30 FCEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1cn(C)cn1 ZINC001070515622 1219449008 /nfs/dbraw/zinc/44/90/08/1219449008.db2.gz MWHOJDYTFIYUOC-DPYNHQQTSA-N 1 3 371.485 0.353 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001070655274 1219509616 /nfs/dbraw/zinc/50/96/16/1219509616.db2.gz CYXMJLWQNWRRCJ-RCCFBDPRSA-N 1 3 357.502 0.915 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001070655274 1219509620 /nfs/dbraw/zinc/50/96/20/1219509620.db2.gz CYXMJLWQNWRRCJ-RCCFBDPRSA-N 1 3 357.502 0.915 20 30 FCEDHO CC(C)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001228932506 1225962937 /nfs/dbraw/zinc/96/29/37/1225962937.db2.gz OYIAKYRMYZCDQR-BRWVUGGUSA-N 1 3 363.506 0.906 20 30 FCEDHO C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102122971 1220510437 /nfs/dbraw/zinc/51/04/37/1220510437.db2.gz WXAGANDIEYKXRH-BRWVUGGUSA-N 1 3 360.502 0.437 20 30 FCEDHO C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171054 1220532862 /nfs/dbraw/zinc/53/28/62/1220532862.db2.gz CGYFAKBJGDSZQE-QUJXQBBWSA-N 1 3 363.502 0.736 20 30 FCEDHO C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171054 1220532866 /nfs/dbraw/zinc/53/28/66/1220532866.db2.gz CGYFAKBJGDSZQE-QUJXQBBWSA-N 1 3 363.502 0.736 20 30 FCEDHO C=CCN1CC[C@H](N2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)C1=O ZINC001102289076 1220576240 /nfs/dbraw/zinc/57/62/40/1220576240.db2.gz AJYLFYGREKIWLL-ZACQAIPSSA-N 1 3 362.518 0.799 20 30 FCEDHO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C1CC1)N(C)C)C2 ZINC001112399254 1221252602 /nfs/dbraw/zinc/25/26/02/1221252602.db2.gz JUGUGHJWSLKKRJ-QRFRQXIXSA-N 1 3 362.518 0.847 20 30 FCEDHO C#CCCCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC001118038155 1221694084 /nfs/dbraw/zinc/69/40/84/1221694084.db2.gz HYIVNCNCOXNENF-UHFFFAOYSA-N 1 3 356.470 0.626 20 30 FCEDHO N#C[C@H]1CNCCN1C(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001157982204 1223085729 /nfs/dbraw/zinc/08/57/29/1223085729.db2.gz JBYSSWULLBGWTC-SVFBPWRDSA-N 1 3 367.497 0.812 20 30 FCEDHO C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214948222 1223958785 /nfs/dbraw/zinc/95/87/85/1223958785.db2.gz LLDXWZNOFLEXST-IXDOHACOSA-N 1 3 360.502 0.437 20 30 FCEDHO C#Cc1cccc(NC(=O)CN[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)c1 ZINC001215460675 1224000429 /nfs/dbraw/zinc/00/04/29/1224000429.db2.gz CRAULBPOLVORSZ-CRAIPNDOSA-N 1 3 356.470 0.995 20 30 FCEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216409360 1224049293 /nfs/dbraw/zinc/04/92/93/1224049293.db2.gz FTXAIWRZYQBFCS-IAGOWNOFSA-N 1 3 360.502 0.719 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216842665 1224078194 /nfs/dbraw/zinc/07/81/94/1224078194.db2.gz JSRGGOMBALDCPS-GPMSIDNRSA-N 1 3 370.497 0.936 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2C)CC1 ZINC001080998116 1256133964 /nfs/dbraw/zinc/13/39/64/1256133964.db2.gz SVVYDOVOAXBOKO-VQIMIIECSA-N 1 3 357.502 0.744 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2C)CC1 ZINC001080998116 1256133971 /nfs/dbraw/zinc/13/39/71/1256133971.db2.gz SVVYDOVOAXBOKO-VQIMIIECSA-N 1 3 357.502 0.744 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106669142 1258937869 /nfs/dbraw/zinc/93/78/69/1258937869.db2.gz YJKPVDZGVRURHV-IXDOHACOSA-N 1 3 362.518 0.540 20 30 FCEDHO C[NH2+][C@H](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC001331512821 1266230830 /nfs/dbraw/zinc/23/08/30/1266230830.db2.gz JMSXVEVFVMORJV-OAHLLOKOSA-N 1 3 359.474 0.563 20 30 FCEDHO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)CCC)[n-]1 ZINC001130249292 1259376526 /nfs/dbraw/zinc/37/65/26/1259376526.db2.gz WFCHKRMPULPAAT-GJZGRUSLSA-N 1 3 364.494 0.801 20 30 FCEDHO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)CCC)[n-]1 ZINC001130249292 1259376531 /nfs/dbraw/zinc/37/65/31/1259376531.db2.gz WFCHKRMPULPAAT-GJZGRUSLSA-N 1 3 364.494 0.801 20 30 FCEDHO C#CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001574603608 1271406456 /nfs/dbraw/zinc/40/64/56/1271406456.db2.gz BUHNHHSDRLSDGP-QGZVFWFLSA-N 1 3 373.549 0.841 20 30 FCEDHO C#CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001698881071 1289538764 /nfs/dbraw/zinc/53/87/64/1289538764.db2.gz TULWPAUIKPRXCC-KBAYOESNSA-N 1 3 362.518 0.731 20 30 FCEDHO C#CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCCC1 ZINC001698881071 1289538773 /nfs/dbraw/zinc/53/87/73/1289538773.db2.gz TULWPAUIKPRXCC-KBAYOESNSA-N 1 3 362.518 0.731 20 30 FCEDHO C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524727 844551369 /nfs/dbraw/zinc/55/13/69/844551369.db2.gz SZJYFWHUQIWXLQ-BRWVUGGUSA-N 1 3 350.507 0.540 20 30 FCEDHO C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001102524727 844551371 /nfs/dbraw/zinc/55/13/71/844551371.db2.gz SZJYFWHUQIWXLQ-BRWVUGGUSA-N 1 3 350.507 0.540 20 30 FCEDHO C=CCCN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469669 841041665 /nfs/dbraw/zinc/04/16/65/841041665.db2.gz CQZZLYXCTANCJN-BDXSIMOUSA-N 1 3 351.491 0.471 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103643128 844793415 /nfs/dbraw/zinc/79/34/15/844793415.db2.gz DZLDPSWPWBOSGM-BRWVUGGUSA-N 1 3 350.507 0.705 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103643128 844793421 /nfs/dbraw/zinc/79/34/21/844793421.db2.gz DZLDPSWPWBOSGM-BRWVUGGUSA-N 1 3 350.507 0.705 20 30 FCEDHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106672274 845222165 /nfs/dbraw/zinc/22/21/65/845222165.db2.gz NMZKWKXBOZQKKN-HUUCEWRRSA-N 1 3 351.495 0.288 20 30 FCEDHO C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)C1=O ZINC001107040662 845317530 /nfs/dbraw/zinc/31/75/30/845317530.db2.gz LLVLKLMMNUXULG-ZACQAIPSSA-N 1 3 350.507 0.798 20 30 FCEDHO C#CCOC[C@@H](O)C[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001277713678 862025513 /nfs/dbraw/zinc/02/55/13/862025513.db2.gz WPMDSRMNMXFBLV-KRWDZBQOSA-N 1 3 351.491 0.263 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCS(C)(=O)=O)CC1 ZINC001230252033 857318693 /nfs/dbraw/zinc/31/86/93/857318693.db2.gz XKLXFFYALNJBPQ-IAGOWNOFSA-N 1 3 369.531 0.393 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)C(C)C ZINC000419567958 246206079 /nfs/dbraw/zinc/20/60/79/246206079.db2.gz JUWRXQHRRIPZHV-KZNAEPCWSA-N 1 3 362.518 0.869 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)C(C)C ZINC000419571603 246206240 /nfs/dbraw/zinc/20/62/40/246206240.db2.gz OZXSGCMZCCDLFX-IXDOHACOSA-N 1 3 350.507 0.997 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000419722632 246270679 /nfs/dbraw/zinc/27/06/79/246270679.db2.gz DZLPTDFHDCBIII-UKRRQHHQSA-N 1 3 352.479 0.372 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(S(N)(=O)=O)c1 ZINC000288709297 489007731 /nfs/dbraw/zinc/00/77/31/489007731.db2.gz KSZFXWBOJWFFJC-ZDUSSCGKSA-N 1 3 369.491 0.231 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000557730205 491394127 /nfs/dbraw/zinc/39/41/27/491394127.db2.gz AHZAEGQIPQDWKV-OAHLLOKOSA-N 1 3 350.507 0.942 20 30 FCEDHO C[NH+]=C(NCCNc1ccncc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262516097 526362458 /nfs/dbraw/zinc/36/24/58/526362458.db2.gz CRYKXTVXDWAHDJ-MRXNPFEDSA-N 1 3 360.462 0.392 20 30 FCEDHO C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000262356275 526372059 /nfs/dbraw/zinc/37/20/59/526372059.db2.gz FZBOVBQFZOZHMB-ZMSDIMECSA-N 1 3 368.547 0.945 20 30 FCEDHO C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000178089849 526427665 /nfs/dbraw/zinc/42/76/65/526427665.db2.gz BGNDKHIBYHNATD-QGZVFWFLSA-N 1 3 363.506 0.585 20 30 FCEDHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000419950452 536449077 /nfs/dbraw/zinc/44/90/77/536449077.db2.gz MKADFYNMLGTRBM-OAHLLOKOSA-N 1 3 359.474 0.420 20 30 FCEDHO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC000159370961 526926551 /nfs/dbraw/zinc/92/65/51/526926551.db2.gz KUDBAQLVPWWNTJ-HXUWFJFHSA-N 1 3 355.482 0.867 20 30 FCEDHO C#CCN1CCC(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000106418121 526926976 /nfs/dbraw/zinc/92/69/76/526926976.db2.gz OUQQUOYDSSBBAB-UHFFFAOYSA-N 1 3 370.497 0.939 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000884642543 673469239 /nfs/dbraw/zinc/46/92/39/673469239.db2.gz LRIWZUJASIKBRN-WCQYABFASA-N 1 3 362.396 0.349 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000973332763 1182243077 /nfs/dbraw/zinc/24/30/77/1182243077.db2.gz ZMCAAZRHCJHVRW-VDHUWJSZSA-N 1 3 360.502 0.435 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000973332763 1182243085 /nfs/dbraw/zinc/24/30/85/1182243085.db2.gz ZMCAAZRHCJHVRW-VDHUWJSZSA-N 1 3 360.502 0.435 20 30 FCEDHO N#CCc1nn(-c2ccccc2)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1C#N ZINC001218751090 1224212102 /nfs/dbraw/zinc/21/21/02/1224212102.db2.gz AZPXZYMMIGABFC-HNNXBMFYSA-N 1 3 361.409 0.558 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCc3cnn(C)c3)[C@@H]2C)CC1 ZINC001089059522 1196879401 /nfs/dbraw/zinc/87/94/01/1196879401.db2.gz PKPBXHPXLRFSOJ-APWZRJJASA-N 1 3 357.502 0.887 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCc3cnn(C)c3)[C@@H]2C)CC1 ZINC001089059522 1196879403 /nfs/dbraw/zinc/87/94/03/1196879403.db2.gz PKPBXHPXLRFSOJ-APWZRJJASA-N 1 3 357.502 0.887 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCC)C2 ZINC001112567718 1200802077 /nfs/dbraw/zinc/80/20/77/1200802077.db2.gz DXIOGUWTHJNIOJ-UWVAXJGDSA-N 1 3 362.518 0.684 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131555803 1202913790 /nfs/dbraw/zinc/91/37/90/1202913790.db2.gz XPYOVLBTCQVFDA-APWZRJJASA-N 1 3 366.506 0.226 20 30 FCEDHO CCN(CC)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1 ZINC001131583018 1202918213 /nfs/dbraw/zinc/91/82/13/1202918213.db2.gz LJSAJXCUYIJSPZ-QUCCMNQESA-N 1 3 365.518 0.964 20 30 FCEDHO COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN2CCCC2)CC1 ZINC001131604968 1202918559 /nfs/dbraw/zinc/91/85/59/1202918559.db2.gz PVKZTHPYMXLKCH-QUCCMNQESA-N 1 3 363.502 0.718 20 30 FCEDHO CCCN(C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1 ZINC001131597152 1202919614 /nfs/dbraw/zinc/91/96/14/1202919614.db2.gz OJQXPVOKXDNGSX-QUCCMNQESA-N 1 3 365.518 0.964 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cncn3C)[C@H](C)C2)CC1 ZINC001094239783 1206209886 /nfs/dbraw/zinc/20/98/86/1206209886.db2.gz BZVOSYFAKMPOJD-SJLPKXTDSA-N 1 3 357.502 0.949 20 30 FCEDHO CC(C)(C)OC(=O)N1CC[C@H](NCCC[NH+](CCO)CCO)C[C@H]1C#N ZINC001172970647 1206264815 /nfs/dbraw/zinc/26/48/15/1206264815.db2.gz IUZBRZYDCPYRKL-HOTGVXAUSA-N 1 3 370.494 0.544 20 30 FCEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001070381588 1219406760 /nfs/dbraw/zinc/40/67/60/1219406760.db2.gz JOZHPWMMZIJLGM-VPWXQRGCSA-N 1 3 362.518 0.990 20 30 FCEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070381588 1219406763 /nfs/dbraw/zinc/40/67/63/1219406763.db2.gz JOZHPWMMZIJLGM-VPWXQRGCSA-N 1 3 362.518 0.990 20 30 FCEDHO C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434129 1220623970 /nfs/dbraw/zinc/62/39/70/1220623970.db2.gz PSOFUPTVHPSDIH-SOLBZPMBSA-N 1 3 362.518 0.540 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185621 1220847891 /nfs/dbraw/zinc/84/78/91/1220847891.db2.gz HLXGQUIZGMPGMH-IAGOWNOFSA-N 1 3 360.502 0.438 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751887 1220964863 /nfs/dbraw/zinc/96/48/63/1220964863.db2.gz XFFGZJDUWNAGHI-QZTJIDSGSA-N 1 3 362.518 0.686 20 30 FCEDHO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401369 1221252510 /nfs/dbraw/zinc/25/25/10/1221252510.db2.gz AFIDUDCKHSLMOV-JXFKEZNVSA-N 1 3 362.518 0.991 20 30 FCEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216384079 1224048173 /nfs/dbraw/zinc/04/81/73/1224048173.db2.gz XDJZOMSODVRGTF-KZNAEPCWSA-N 1 3 362.518 0.965 20 30 FCEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216384079 1224048175 /nfs/dbraw/zinc/04/81/75/1224048175.db2.gz XDJZOMSODVRGTF-KZNAEPCWSA-N 1 3 362.518 0.965 20 30 FCEDHO C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)C1=O ZINC001082617380 1256927998 /nfs/dbraw/zinc/92/79/98/1256927998.db2.gz PKVZSCUOEKDWOJ-BRWVUGGUSA-N 1 3 360.502 0.838 20 30 FCEDHO CCCCCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106775676 1258961416 /nfs/dbraw/zinc/96/14/16/1258961416.db2.gz 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C=CCN1CC[C@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1=O ZINC001099507008 1220017921 /nfs/dbraw/zinc/01/79/21/1220017921.db2.gz ZAJFQQPOSBEXSC-KNBMTAEXSA-N 1 3 371.485 0.957 20 30 FCEDHO C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3cnccc3N(C)C)C[C@]2(C)C1 ZINC001101432143 1220341239 /nfs/dbraw/zinc/34/12/39/1220341239.db2.gz DCSBNGPXEVEVMF-QRWLVFNGSA-N 1 3 371.485 0.844 20 30 FCEDHO C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnccc3N(C)C)C[C@]2(C)C1 ZINC001101432143 1220341241 /nfs/dbraw/zinc/34/12/41/1220341241.db2.gz DCSBNGPXEVEVMF-QRWLVFNGSA-N 1 3 371.485 0.844 20 30 FCEDHO COCC#CCN1C[C@@H](CNC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102384797 1220604410 /nfs/dbraw/zinc/60/44/10/1220604410.db2.gz BZSMNCRBYPKYSR-GUDVDZBRSA-N 1 3 365.518 0.821 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001102977053 1220815153 /nfs/dbraw/zinc/81/51/53/1220815153.db2.gz KRRUUIGPQHPNBF-KZNAEPCWSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977053 1220815155 /nfs/dbraw/zinc/81/51/55/1220815155.db2.gz KRRUUIGPQHPNBF-KZNAEPCWSA-N 1 3 362.518 0.683 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185864 1220847409 /nfs/dbraw/zinc/84/74/09/1220847409.db2.gz VCYPJDBXJPHIEB-IAGOWNOFSA-N 1 3 362.518 0.991 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC2CC2)CC1 ZINC001230251674 1226068173 /nfs/dbraw/zinc/06/81/73/1226068173.db2.gz DEEMAQIIQCJVGK-QZTJIDSGSA-N 1 3 360.502 0.627 20 30 FCEDHO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855961 1223948677 /nfs/dbraw/zinc/94/86/77/1223948677.db2.gz SKYGRBVCFJMZIX-KYJSFNMBSA-N 1 3 363.506 0.525 20 30 FCEDHO C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1NCC(=O)NCC#N ZINC001215228598 1223984378 /nfs/dbraw/zinc/98/43/78/1223984378.db2.gz WPLNAGKEMYYIPZ-NVXWUHKLSA-N 1 3 363.506 0.717 20 30 FCEDHO C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1NCC(=O)NCC#N ZINC001215228598 1223984380 /nfs/dbraw/zinc/98/43/80/1223984380.db2.gz WPLNAGKEMYYIPZ-NVXWUHKLSA-N 1 3 363.506 0.717 20 30 FCEDHO C#Cc1cccc(NC(=O)CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)c1 ZINC001216754178 1224068885 /nfs/dbraw/zinc/06/88/85/1224068885.db2.gz JZGQWJOLJORSTA-SZVBFZGTSA-N 1 3 368.481 0.995 20 30 FCEDHO C#Cc1cccc(NC(=O)CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)c1 ZINC001216754178 1224068888 /nfs/dbraw/zinc/06/88/88/1224068888.db2.gz JZGQWJOLJORSTA-SZVBFZGTSA-N 1 3 368.481 0.995 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C(C)C)C2)CC1 ZINC001216837653 1224077035 /nfs/dbraw/zinc/07/70/35/1224077035.db2.gz LKSKWFQEBMGTNI-SJLPKXTDSA-N 1 3 362.518 0.635 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001078227412 1255342214 /nfs/dbraw/zinc/34/22/14/1255342214.db2.gz YQNCDPXCILCZNF-GUDVDZBRSA-N 1 3 363.502 0.452 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001078227412 1255342218 /nfs/dbraw/zinc/34/22/18/1255342218.db2.gz YQNCDPXCILCZNF-GUDVDZBRSA-N 1 3 363.502 0.452 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)C[C@H]2C)CC1 ZINC001080997620 1256132243 /nfs/dbraw/zinc/13/22/43/1256132243.db2.gz HBTADGNSVRSGCI-KBAYOESNSA-N 1 3 370.501 0.547 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]2C)CC1 ZINC001080997620 1256132248 /nfs/dbraw/zinc/13/22/48/1256132248.db2.gz HBTADGNSVRSGCI-KBAYOESNSA-N 1 3 370.501 0.547 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@@H]2O)CC1 ZINC001084090171 1257915672 /nfs/dbraw/zinc/91/56/72/1257915672.db2.gz NJOZYGUSAHIXQU-UAGQMJEPSA-N 1 3 369.456 0.928 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@@H]2O)CC1 ZINC001084090171 1257915678 /nfs/dbraw/zinc/91/56/78/1257915678.db2.gz NJOZYGUSAHIXQU-UAGQMJEPSA-N 1 3 369.456 0.928 20 30 FCEDHO COc1ccc(C#N)cc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496978367 1263907139 /nfs/dbraw/zinc/90/71/39/1263907139.db2.gz BGUKIPYJIPMUGI-XOKHGSTOSA-N 1 3 360.458 0.474 20 30 FCEDHO COc1ccc(C#N)cc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496978367 1263907149 /nfs/dbraw/zinc/90/71/49/1263907149.db2.gz BGUKIPYJIPMUGI-XOKHGSTOSA-N 1 3 360.458 0.474 20 30 FCEDHO C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001574485142 1271292212 /nfs/dbraw/zinc/29/22/12/1271292212.db2.gz BEBXNHFVLSERGI-ZACQAIPSSA-N 1 3 373.549 0.967 20 30 FCEDHO C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](C[NH2+]Cc3cnn[n-]3)C2)CC1 ZINC001574967145 1271686628 /nfs/dbraw/zinc/68/66/28/1271686628.db2.gz MYSCCWSWTSBFHU-DOTOQJQBSA-N 1 3 358.490 0.724 20 30 FCEDHO C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C2)C1=O ZINC001102524933 844552934 /nfs/dbraw/zinc/55/29/34/844552934.db2.gz DOJMDLPXDCPBQZ-ZACQAIPSSA-N 1 3 350.507 0.799 20 30 FCEDHO C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C2)C1=O ZINC001102524933 844552940 /nfs/dbraw/zinc/55/29/40/844552940.db2.gz DOJMDLPXDCPBQZ-ZACQAIPSSA-N 1 3 350.507 0.799 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@H](O)COC)C[C@H]2C)CC1 ZINC001102596609 844587434 /nfs/dbraw/zinc/58/74/34/844587434.db2.gz PEEPNMIWCUMQFZ-NXHRZFHOSA-N 1 3 351.491 0.023 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2C)CC1 ZINC001102596609 844587441 /nfs/dbraw/zinc/58/74/41/844587441.db2.gz PEEPNMIWCUMQFZ-NXHRZFHOSA-N 1 3 351.491 0.023 20 30 FCEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104362664 844900573 /nfs/dbraw/zinc/90/05/73/844900573.db2.gz BXBLIRCZVQLWGE-HZPDHXFCSA-N 1 3 350.507 0.540 20 30 FCEDHO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCC)C2 ZINC001112567385 846526337 /nfs/dbraw/zinc/52/63/37/846526337.db2.gz MBPQZDQGIKXMJG-LPHOPBHVSA-N 1 3 350.507 0.849 20 30 FCEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001129879200 848907012 /nfs/dbraw/zinc/90/70/12/848907012.db2.gz WXAIXCZRZFWTHJ-XHSDSOJGSA-N 1 3 352.458 0.876 20 30 FCEDHO C=CCOC[C@H]1CCC[C@@]12CN(C(=O)[C@H](N)C1CC[NH2+]CC1)CCO2 ZINC001160248335 850161572 /nfs/dbraw/zinc/16/15/72/850161572.db2.gz ZDTPIOPEAZGBJR-ZHALLVOQSA-N 1 3 351.491 0.914 20 30 FCEDHO C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161536907 850270533 /nfs/dbraw/zinc/27/05/33/850270533.db2.gz LJZDXFCKDRCJSY-CABCVRRESA-N 1 3 350.463 0.764 20 30 FCEDHO C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161536907 850270537 /nfs/dbraw/zinc/27/05/37/850270537.db2.gz LJZDXFCKDRCJSY-CABCVRRESA-N 1 3 350.463 0.764 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001215978210 855161900 /nfs/dbraw/zinc/16/19/00/855161900.db2.gz ZAWWOOXUZRHLCV-JFIYKMOQSA-N 1 3 350.507 0.539 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@H]1C ZINC001215978211 855162187 /nfs/dbraw/zinc/16/21/87/855162187.db2.gz ZAWWOOXUZRHLCV-NUJGCVRESA-N 1 3 350.507 0.539 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216217063 855180405 /nfs/dbraw/zinc/18/04/05/855180405.db2.gz GYVADKIZFMAOOX-HZPDHXFCSA-N 1 3 351.495 0.527 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216217063 855180407 /nfs/dbraw/zinc/18/04/07/855180407.db2.gz GYVADKIZFMAOOX-HZPDHXFCSA-N 1 3 351.495 0.527 20 30 FCEDHO C=CCCCN1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218844968 855485854 /nfs/dbraw/zinc/48/58/54/855485854.db2.gz QHQIGFLJASDPDM-ZWKOTPCHSA-N 1 3 351.491 0.975 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000562958152 491203163 /nfs/dbraw/zinc/20/31/63/491203163.db2.gz ROYPIRPONTWVDH-GOSISDBHSA-N 1 3 371.485 0.646 20 30 FCEDHO COc1ccc(CCNC(=[NH2+])NC[C@@H](O)CN2CCCCC2)cc1OC ZINC000170913120 488817562 /nfs/dbraw/zinc/81/75/62/488817562.db2.gz WFWZDBKLKVYPSV-MRXNPFEDSA-N 1 3 364.490 0.997 20 30 FCEDHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000330153099 489074461 /nfs/dbraw/zinc/07/44/61/489074461.db2.gz XACZTDVMKHLCQX-OAGGEKHMSA-N 1 3 351.495 0.622 20 30 FCEDHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000330153099 489074464 /nfs/dbraw/zinc/07/44/64/489074464.db2.gz XACZTDVMKHLCQX-OAGGEKHMSA-N 1 3 351.495 0.622 20 30 FCEDHO COCCN1CC[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000330200295 489079242 /nfs/dbraw/zinc/07/92/42/489079242.db2.gz ADVPRRMVAKQSIG-CVEARBPZSA-N 1 3 354.495 0.806 20 30 FCEDHO COCCN1CC[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000330200295 489079245 /nfs/dbraw/zinc/07/92/45/489079245.db2.gz ADVPRRMVAKQSIG-CVEARBPZSA-N 1 3 354.495 0.806 20 30 FCEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000293342696 489182950 /nfs/dbraw/zinc/18/29/50/489182950.db2.gz KGDNUCGNYHZOET-UHFFFAOYSA-N 1 3 374.485 0.945 20 30 FCEDHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC000420121424 489919910 /nfs/dbraw/zinc/91/99/10/489919910.db2.gz KOEIYEWQQAAQAI-MAUKXSAKSA-N 1 3 371.485 0.705 20 30 FCEDHO CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000521030847 490215616 /nfs/dbraw/zinc/21/56/16/490215616.db2.gz DRFDYUXBKDRKNZ-SFHVURJKSA-N 1 3 374.485 0.830 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423076265 490536664 /nfs/dbraw/zinc/53/66/64/490536664.db2.gz QPRABLPTJUIRBJ-FQEVSTJZSA-N 1 3 371.485 0.646 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423076266 490536736 /nfs/dbraw/zinc/53/67/36/490536736.db2.gz QPRABLPTJUIRBJ-HXUWFJFHSA-N 1 3 371.485 0.646 20 30 FCEDHO O=C(NCC#CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1)[C@H]1CCCN1C1CC1 ZINC000683869566 493375585 /nfs/dbraw/zinc/37/55/85/493375585.db2.gz QWDRXWWFBDZPNM-QZTJIDSGSA-N 1 3 358.486 0.476 20 30 FCEDHO O=C(NCC#CCNC(=O)[C@H]1CCC[N@H+]1C1CC1)[C@H]1CCCN1C1CC1 ZINC000683869566 493375587 /nfs/dbraw/zinc/37/55/87/493375587.db2.gz QWDRXWWFBDZPNM-QZTJIDSGSA-N 1 3 358.486 0.476 20 30 FCEDHO C[NH+]=C(NCC1(N2CCCC2)CCOCC1)N1CCO[C@@H](COC)C1 ZINC000261956316 526350877 /nfs/dbraw/zinc/35/08/77/526350877.db2.gz OSQBJHBIRQGESJ-MRXNPFEDSA-N 1 3 354.495 0.554 20 30 FCEDHO C[NH+]=C(NCCN1CCOCC1)NCc1cccc(OCCN(C)C)c1 ZINC000264982550 526357605 /nfs/dbraw/zinc/35/76/05/526357605.db2.gz LZQBQSWGZFAKMQ-UHFFFAOYSA-N 1 3 363.506 0.624 20 30 FCEDHO C[NH+]=C(NCCS(=O)(=O)NC(C)C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262502783 526362643 /nfs/dbraw/zinc/36/26/43/526362643.db2.gz YYZMCRQIUCKMIR-OAHLLOKOSA-N 1 3 359.540 0.450 20 30 FCEDHO C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000178089863 526427001 /nfs/dbraw/zinc/42/70/01/526427001.db2.gz BGNDKHIBYHNATD-KRWDZBQOSA-N 1 3 363.506 0.585 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000264069092 529073075 /nfs/dbraw/zinc/07/30/75/529073075.db2.gz CPLAKLWWGQDFEV-KGLIPLIRSA-N 1 3 364.446 0.544 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000264069089 529100733 /nfs/dbraw/zinc/10/07/33/529100733.db2.gz CPLAKLWWGQDFEV-KBPBESRZSA-N 1 3 364.446 0.544 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCN(C)CC2)nc1 ZINC000264073980 529100925 /nfs/dbraw/zinc/10/09/25/529100925.db2.gz GUCUTZAXLVYINT-KRWDZBQOSA-N 1 3 359.522 0.722 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(N2CCN(C)CC2)c1 ZINC000104163579 529101210 /nfs/dbraw/zinc/10/12/10/529101210.db2.gz JICVJTZIDIZTDQ-KRWDZBQOSA-N 1 3 359.522 0.722 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCN(C)S(=O)(=O)c1cccs1 ZINC000151405177 529101636 /nfs/dbraw/zinc/10/16/36/529101636.db2.gz VDRFTTYGSQOJMV-ZDUSSCGKSA-N 1 3 373.548 0.757 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419862772 535859949 /nfs/dbraw/zinc/85/99/49/535859949.db2.gz QQXMAKJSHUPDCE-SFHVURJKSA-N 1 3 371.485 0.564 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000561437506 546546679 /nfs/dbraw/zinc/54/66/79/546546679.db2.gz JFYUPUJIXUAECO-WBVHZDCISA-N 1 3 350.507 0.942 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000561437506 546546682 /nfs/dbraw/zinc/54/66/82/546546682.db2.gz JFYUPUJIXUAECO-WBVHZDCISA-N 1 3 350.507 0.942 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000550654132 547094464 /nfs/dbraw/zinc/09/44/64/547094464.db2.gz LUKPIGSFCTULDB-MRXNPFEDSA-N 1 3 350.507 0.991 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC000553672347 547299303 /nfs/dbraw/zinc/29/93/03/547299303.db2.gz RPAWDIRRBFJBIR-MRXNPFEDSA-N 1 3 350.507 0.991 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000553672347 547299305 /nfs/dbraw/zinc/29/93/05/547299305.db2.gz RPAWDIRRBFJBIR-MRXNPFEDSA-N 1 3 350.507 0.991 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC000553672346 547299509 /nfs/dbraw/zinc/29/95/09/547299509.db2.gz RPAWDIRRBFJBIR-INIZCTEOSA-N 1 3 350.507 0.991 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000553672346 547299513 /nfs/dbraw/zinc/29/95/13/547299513.db2.gz RPAWDIRRBFJBIR-INIZCTEOSA-N 1 3 350.507 0.991 20 30 FCEDHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104256784 1168815724 /nfs/dbraw/zinc/81/57/24/1168815724.db2.gz PYXIMQUXMJAODB-OAGGEKHMSA-N 1 3 369.485 0.380 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294239 1169684439 /nfs/dbraw/zinc/68/44/39/1169684439.db2.gz DZQLICVPMBEJHI-BRWVUGGUSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001104682128 1182364511 /nfs/dbraw/zinc/36/45/11/1182364511.db2.gz CMDGIWIRFOKJBN-IAGOWNOFSA-N 1 3 364.534 0.788 20 30 FCEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538903 1200371075 /nfs/dbraw/zinc/37/10/75/1200371075.db2.gz YRUQKPTWTYOOTM-IBTBTWTJSA-N 1 3 361.486 0.774 20 30 FCEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538903 1200371079 /nfs/dbraw/zinc/37/10/79/1200371079.db2.gz YRUQKPTWTYOOTM-IBTBTWTJSA-N 1 3 361.486 0.774 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H]([NH2+]CC=C(C)C)[C@@H](n3ccnn3)C2)CC1 ZINC001130137009 1201514370 /nfs/dbraw/zinc/51/43/70/1201514370.db2.gz DPLHGCBRHPWOMC-MOPGFXCFSA-N 1 3 370.501 0.931 20 30 FCEDHO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)[NH+](C)C)[n-]1 ZINC001130220776 1201550715 /nfs/dbraw/zinc/55/07/15/1201550715.db2.gz LRNNVRNEQAMGJR-ZNMIVQPWSA-N 1 3 364.494 0.799 20 30 FCEDHO C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001130307708 1201582514 /nfs/dbraw/zinc/58/25/14/1201582514.db2.gz ZQFULXGEKOXXFD-XLIONFOSSA-N 1 3 362.518 0.825 20 30 FCEDHO C=CCN1CC[C@H](NCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126341 1203015546 /nfs/dbraw/zinc/01/55/46/1203015546.db2.gz MAZBJOHSLGRGPE-QYZOEREBSA-N 1 3 370.497 0.825 20 30 FCEDHO C=CCN1CC[C@H](NCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126341 1203015549 /nfs/dbraw/zinc/01/55/49/1203015549.db2.gz MAZBJOHSLGRGPE-QYZOEREBSA-N 1 3 370.497 0.825 20 30 FCEDHO C=CCN1CC[C@@H](NCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126340 1203015977 /nfs/dbraw/zinc/01/59/77/1203015977.db2.gz MAZBJOHSLGRGPE-CEXWTWQISA-N 1 3 370.497 0.825 20 30 FCEDHO C=CCN1CC[C@@H](NCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126340 1203015982 /nfs/dbraw/zinc/01/59/82/1203015982.db2.gz MAZBJOHSLGRGPE-CEXWTWQISA-N 1 3 370.497 0.825 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1c1cnn(C)c1 ZINC001086979431 1204877630 /nfs/dbraw/zinc/87/76/30/1204877630.db2.gz ZOJAMWRYAMPOMA-FUHWJXTLSA-N 1 3 369.473 0.009 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086989234 1204882140 /nfs/dbraw/zinc/88/21/40/1204882140.db2.gz QFQMZIGDKSALAU-OTWHNJEPSA-N 1 3 355.486 0.812 20 30 FCEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000884642285 1210770263 /nfs/dbraw/zinc/77/02/63/1210770263.db2.gz FYKNGKAWDCQRTB-GOSISDBHSA-N 1 3 356.470 0.584 20 30 FCEDHO COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171207 1220533967 /nfs/dbraw/zinc/53/39/67/1220533967.db2.gz LXMIAZIKHLOJGF-MJQPBPLVSA-N 1 3 361.486 0.184 20 30 FCEDHO COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171207 1220533971 /nfs/dbraw/zinc/53/39/71/1220533971.db2.gz LXMIAZIKHLOJGF-MJQPBPLVSA-N 1 3 361.486 0.184 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001103060312 1220826288 /nfs/dbraw/zinc/82/62/88/1220826288.db2.gz FWSRRLIEIDWWJV-KZNAEPCWSA-N 1 3 362.518 0.684 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001103060312 1220826289 /nfs/dbraw/zinc/82/62/89/1220826289.db2.gz FWSRRLIEIDWWJV-KZNAEPCWSA-N 1 3 362.518 0.684 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103308840 1220864514 /nfs/dbraw/zinc/86/45/14/1220864514.db2.gz IUNIZJVQYPZYRQ-IAGOWNOFSA-N 1 3 362.518 0.684 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001103751910 1220964455 /nfs/dbraw/zinc/96/44/55/1220964455.db2.gz YLIPCNBGDCESPH-NXHRZFHOSA-N 1 3 360.502 0.294 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001103751910 1220964460 /nfs/dbraw/zinc/96/44/60/1220964460.db2.gz YLIPCNBGDCESPH-NXHRZFHOSA-N 1 3 360.502 0.294 20 30 FCEDHO COCCN(C)CCN1C[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1=O ZINC001120604840 1222108585 /nfs/dbraw/zinc/10/85/85/1222108585.db2.gz XFHXJKOBBWYMLB-ROUUACIJSA-N 1 3 360.458 0.360 20 30 FCEDHO C=CCOCc1nn(C)c2c1CN(C(=O)[C@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001159382886 1223125864 /nfs/dbraw/zinc/12/58/64/1223125864.db2.gz WMHHUMALPNMNPR-MRXNPFEDSA-N 1 3 373.501 0.882 20 30 FCEDHO C=CCOCc1nn(C)c2c1CN(C(=O)[C@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001159382886 1223125866 /nfs/dbraw/zinc/12/58/66/1223125866.db2.gz WMHHUMALPNMNPR-MRXNPFEDSA-N 1 3 373.501 0.882 20 30 FCEDHO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215544412 1224005561 /nfs/dbraw/zinc/00/55/61/1224005561.db2.gz TWWKQEIZAMIVFR-BRWVUGGUSA-N 1 3 363.506 0.527 20 30 FCEDHO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215544413 1224005599 /nfs/dbraw/zinc/00/55/99/1224005599.db2.gz TWWKQEIZAMIVFR-GVDBMIGSSA-N 1 3 363.506 0.527 20 30 FCEDHO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215989964 1224028695 /nfs/dbraw/zinc/02/86/95/1224028695.db2.gz PMNWHMNVSTYOCI-QLFBSQMISA-N 1 3 367.494 0.165 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC3CC3)C2)CC1 ZINC001216837574 1224077168 /nfs/dbraw/zinc/07/71/68/1224077168.db2.gz HVXWXMHPOFHPLE-CRAIPNDOSA-N 1 3 360.502 0.294 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001216846614 1224078477 /nfs/dbraw/zinc/07/84/77/1224078477.db2.gz OPTFUGZALHFYFU-LMMKCTJWSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCn4cncn4)CC[C@@H]3C2)CC1 ZINC001088212055 1258734499 /nfs/dbraw/zinc/73/44/99/1258734499.db2.gz MPXZZCXXUDHLDF-MOPGFXCFSA-N 1 3 370.501 0.404 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)CC1 ZINC001088212055 1258734502 /nfs/dbraw/zinc/73/45/02/1258734502.db2.gz MPXZZCXXUDHLDF-MOPGFXCFSA-N 1 3 370.501 0.404 20 30 FCEDHO C#CCN1CCC(C(=O)N2CCC(C)([NH2+]CCc3cn[nH]n3)CC2)CC1 ZINC001574967852 1271685975 /nfs/dbraw/zinc/68/59/75/1271685975.db2.gz YETIRPXPZODFSZ-UHFFFAOYSA-N 1 3 358.490 0.663 20 30 FCEDHO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]Cc3cnn[n-]3)C2)CC1 ZINC001574967146 1271686909 /nfs/dbraw/zinc/68/69/09/1271686909.db2.gz MYSCCWSWTSBFHU-NVXWUHKLSA-N 1 3 358.490 0.724 20 30 FCEDHO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC(N3CCC[C@@H]3C(N)=O)CC1)C2 ZINC001580041639 1277997905 /nfs/dbraw/zinc/99/79/05/1277997905.db2.gz FYLCEZYZVZGOPH-PPKXHPOVSA-N 1 3 359.474 0.066 20 30 FCEDHO C=CCNC(=O)CN(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001692011239 1289361399 /nfs/dbraw/zinc/36/13/99/1289361399.db2.gz KRWHYSCEMZIXAZ-NVXWUHKLSA-N 1 3 350.507 0.799 20 30 FCEDHO C=CCNC(=O)CN(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001692011239 1289361409 /nfs/dbraw/zinc/36/14/09/1289361409.db2.gz KRWHYSCEMZIXAZ-NVXWUHKLSA-N 1 3 350.507 0.799 20 30 FCEDHO C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102101222 844414928 /nfs/dbraw/zinc/41/49/28/844414928.db2.gz SJNIYSQKKCJOFE-BZUAXINKSA-N 1 3 350.507 0.539 20 30 FCEDHO C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102101222 844414933 /nfs/dbraw/zinc/41/49/33/844414933.db2.gz SJNIYSQKKCJOFE-BZUAXINKSA-N 1 3 350.507 0.539 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111980 844703266 /nfs/dbraw/zinc/70/32/66/844703266.db2.gz YNNINUYVQPUFAH-NUJGCVRESA-N 1 3 350.507 0.396 20 30 FCEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291365 844891461 /nfs/dbraw/zinc/89/14/61/844891461.db2.gz NRPVSINLVOIGFN-QGPMSJSTSA-N 1 3 350.507 0.703 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)[NH+](C)C)[n-]1 ZINC001130221150 848978911 /nfs/dbraw/zinc/97/89/11/848978911.db2.gz WZANCMRXLNTMJI-MJBXVCDLSA-N 1 3 350.467 0.409 20 30 FCEDHO C#CCOC[C@H](O)C[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277713545 862027282 /nfs/dbraw/zinc/02/72/82/862027282.db2.gz VMNSSXZWPSUYTA-MJGOQNOKSA-N 1 3 351.491 0.263 20 30 FCEDHO C#CCOC[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277713545 862027301 /nfs/dbraw/zinc/02/73/01/862027301.db2.gz VMNSSXZWPSUYTA-MJGOQNOKSA-N 1 3 351.491 0.263 20 30 FCEDHO C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161536912 850270364 /nfs/dbraw/zinc/27/03/64/850270364.db2.gz LJZDXFCKDRCJSY-LSDHHAIUSA-N 1 3 350.463 0.764 20 30 FCEDHO C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161536912 850270371 /nfs/dbraw/zinc/27/03/71/850270371.db2.gz LJZDXFCKDRCJSY-LSDHHAIUSA-N 1 3 350.463 0.764 20 30 FCEDHO C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754197 855233242 /nfs/dbraw/zinc/23/32/42/855233242.db2.gz KLQJJRPFUDJISM-BRWVUGGUSA-N 1 3 350.507 0.799 20 30 FCEDHO C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754197 855233252 /nfs/dbraw/zinc/23/32/52/855233252.db2.gz KLQJJRPFUDJISM-BRWVUGGUSA-N 1 3 350.507 0.799 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@@H](O)COC)CC1 ZINC001230251734 857318869 /nfs/dbraw/zinc/31/88/69/857318869.db2.gz GPYGJXQXZKEPPS-KZNAEPCWSA-N 1 3 351.491 0.356 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000419575965 246208371 /nfs/dbraw/zinc/20/83/71/246208371.db2.gz WZHRXWGDEVLHGE-GVDBMIGSSA-N 1 3 350.507 0.915 20 30 FCEDHO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000423068930 246957773 /nfs/dbraw/zinc/95/77/73/246957773.db2.gz AHZRJSUVMLQKTF-CRAIPNDOSA-N 1 3 371.485 0.644 20 30 FCEDHO C=CCN1CCC(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000417527694 489656800 /nfs/dbraw/zinc/65/68/00/489656800.db2.gz NNIIAHVJQXZOBV-MRXNPFEDSA-N 1 3 351.495 0.666 20 30 FCEDHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000567880195 491537459 /nfs/dbraw/zinc/53/74/59/491537459.db2.gz DLVLEEGUIPFNEH-GJZGRUSLSA-N 1 3 359.474 0.690 20 30 FCEDHO C[NH+]1CCC(N2CCC(NC(=O)N3CCN(CCC#N)CC3)CC2)CC1 ZINC000601572204 491935090 /nfs/dbraw/zinc/93/50/90/491935090.db2.gz PUSBNYUHVFQOAH-UHFFFAOYSA-N 1 3 362.522 0.786 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595988655 491969506 /nfs/dbraw/zinc/96/95/06/491969506.db2.gz QAWKBRLJBVABPJ-UHFFFAOYSA-N 1 3 359.474 0.644 20 30 FCEDHO C=CCn1cc(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)nn1 ZINC000644931735 492830872 /nfs/dbraw/zinc/83/08/72/492830872.db2.gz GCZHRIDVDVRODC-UHFFFAOYSA-N 1 3 361.494 0.822 20 30 FCEDHO C[NH+]=C(NCCNC(C)(C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261864995 526360415 /nfs/dbraw/zinc/36/04/15/526360415.db2.gz ZXQLATMWSUILQK-QGZVFWFLSA-N 1 3 352.483 0.260 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000264118557 529074431 /nfs/dbraw/zinc/07/44/31/529074431.db2.gz UAGJHASHWLXENU-OAHLLOKOSA-N 1 3 367.519 0.826 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000264072912 529100976 /nfs/dbraw/zinc/10/09/76/529100976.db2.gz DPLAVQWFOTWZHL-SFHVURJKSA-N 1 3 374.533 0.867 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1ccccc1 ZINC000303775775 674571271 /nfs/dbraw/zinc/57/12/71/674571271.db2.gz HBOVLLZIUVBQLZ-CQSZACIVSA-N 1 3 353.492 0.354 20 30 FCEDHO C#CC[N@@H+](C)CCCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000838623151 667946208 /nfs/dbraw/zinc/94/62/08/667946208.db2.gz ROIMJFABGMMJTA-UHFFFAOYSA-N 1 3 351.495 0.137 20 30 FCEDHO C#CC[N@H+](C)CCCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000838623151 667946209 /nfs/dbraw/zinc/94/62/09/667946209.db2.gz ROIMJFABGMMJTA-UHFFFAOYSA-N 1 3 351.495 0.137 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000884642542 673469320 /nfs/dbraw/zinc/46/93/20/673469320.db2.gz LRIWZUJASIKBRN-DGCLKSJQSA-N 1 3 362.396 0.349 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCN2CCC(C)(C)C2)CC1 ZINC000930008810 673992087 /nfs/dbraw/zinc/99/20/87/673992087.db2.gz OVZKYTRFTCFBRU-UHFFFAOYSA-N 1 3 350.507 0.991 20 30 FCEDHO C=CCCCN1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001217932431 1224132724 /nfs/dbraw/zinc/13/27/24/1224132724.db2.gz IDLQGPNJXPNVMP-ZWKOTPCHSA-N 1 3 361.490 0.936 20 30 FCEDHO C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076206243 1194353674 /nfs/dbraw/zinc/35/36/74/1194353674.db2.gz FZZUJHVEDHQPIR-OKZBNKHCSA-N 1 3 360.502 0.648 20 30 FCEDHO C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076206244 1194353720 /nfs/dbraw/zinc/35/37/20/1194353720.db2.gz FZZUJHVEDHQPIR-RCCFBDPRSA-N 1 3 360.502 0.648 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001076745945 1194976793 /nfs/dbraw/zinc/97/67/93/1194976793.db2.gz XNHOYTVIDYRTIN-LZLYRXPVSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001076745945 1194976798 /nfs/dbraw/zinc/97/67/98/1194976798.db2.gz XNHOYTVIDYRTIN-LZLYRXPVSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)[NH+](C)C)[n-]1 ZINC001130237707 1201560827 /nfs/dbraw/zinc/56/08/27/1201560827.db2.gz AFHNGNRJIKAKND-KKUMJFAQSA-N 1 3 362.478 0.247 20 30 FCEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1cnn(C)c1 ZINC001086988683 1204881895 /nfs/dbraw/zinc/88/18/95/1204881895.db2.gz MCLKXRYIDWKHBY-BPHHCGJSSA-N 1 3 371.485 0.353 20 30 FCEDHO N#Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cn1 ZINC001221089743 1225215983 /nfs/dbraw/zinc/21/59/83/1225215983.db2.gz UTQGKKLONRKYHG-HOTGVXAUSA-N 1 3 358.446 0.017 20 30 FCEDHO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(Cc3ccc(C#N)nc3)C2)C1=O ZINC001275923828 1211310567 /nfs/dbraw/zinc/31/05/67/1211310567.db2.gz YQLNSXGQAGOTGO-IBGZPJMESA-N 1 3 355.442 0.856 20 30 FCEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1cn(C)cn1 ZINC001070515623 1219448783 /nfs/dbraw/zinc/44/87/83/1219448783.db2.gz MWHOJDYTFIYUOC-SJFYGUSASA-N 1 3 371.485 0.353 20 30 FCEDHO COCC#CCN1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101405820 1220327220 /nfs/dbraw/zinc/32/72/20/1220327220.db2.gz QOXGSNPUJYIWRZ-XLIONFOSSA-N 1 3 363.502 0.527 20 30 FCEDHO C=CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102122788 1220511056 /nfs/dbraw/zinc/51/10/56/1220511056.db2.gz LURKEDJIEAVXDG-IXDOHACOSA-N 1 3 362.518 0.990 20 30 FCEDHO C=CCN(CC=C)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578363 1220700442 /nfs/dbraw/zinc/70/04/42/1220700442.db2.gz YQVQMCVSWSKABH-KZNAEPCWSA-N 1 3 362.518 0.823 20 30 FCEDHO C=CCN(CC=C)C(=O)CN1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578363 1220700443 /nfs/dbraw/zinc/70/04/43/1220700443.db2.gz YQVQMCVSWSKABH-KZNAEPCWSA-N 1 3 362.518 0.823 20 30 FCEDHO C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599185 1220721915 /nfs/dbraw/zinc/72/19/15/1220721915.db2.gz SLSCSVCGJUGLEB-FGTMMUONSA-N 1 3 362.518 0.684 20 30 FCEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C(F)(F)F ZINC001112134988 1221210407 /nfs/dbraw/zinc/21/04/07/1221210407.db2.gz VBLOFEBNYHWYPU-VXSWHIBVSA-N 1 3 371.403 0.852 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCCC)CC1 ZINC001230251717 1226068209 /nfs/dbraw/zinc/06/82/09/1226068209.db2.gz GAXNVTPJXUNSTN-QZTJIDSGSA-N 1 3 362.518 0.875 20 30 FCEDHO C#CC[N@H+](C)CCCNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000838622725 1222688989 /nfs/dbraw/zinc/68/89/89/1222688989.db2.gz ZJDHCHFOIGXOHK-LJQANCHMSA-N 1 3 358.486 0.660 20 30 FCEDHO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000838622725 1222688994 /nfs/dbraw/zinc/68/89/94/1222688994.db2.gz ZJDHCHFOIGXOHK-LJQANCHMSA-N 1 3 358.486 0.660 20 30 FCEDHO CCOC(=O)CN(CC[NH3+])c1nc2ccccc2nc1C(C#N)C(=O)OC ZINC001159864507 1223138022 /nfs/dbraw/zinc/13/80/22/1223138022.db2.gz DPIBMMGOELTBQV-GFCCVEGCSA-N 1 3 371.397 0.738 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1C ZINC001215015218 1223964342 /nfs/dbraw/zinc/96/43/42/1223964342.db2.gz MXXAOXSLLKAMMR-NVXWUHKLSA-N 1 3 359.474 0.647 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001215228350 1223983658 /nfs/dbraw/zinc/98/36/58/1223983658.db2.gz LOTRKZRHNOGSNT-SJLPKXTDSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001215228350 1223983661 /nfs/dbraw/zinc/98/36/61/1223983661.db2.gz LOTRKZRHNOGSNT-SJLPKXTDSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234139 1223984882 /nfs/dbraw/zinc/98/48/82/1223984882.db2.gz FQCZFQOFQVDCQI-BRWVUGGUSA-N 1 3 362.518 0.825 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997358339 1251559633 /nfs/dbraw/zinc/55/96/33/1251559633.db2.gz YYICQZJBIJGJTO-RDGPPVDQSA-N 1 3 372.513 0.531 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997358339 1251559652 /nfs/dbraw/zinc/55/96/52/1251559652.db2.gz YYICQZJBIJGJTO-RDGPPVDQSA-N 1 3 372.513 0.531 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]2O)CC1 ZINC001078227193 1255339421 /nfs/dbraw/zinc/33/94/21/1255339421.db2.gz NJOZYGUSAHIXQU-DJIMGWMZSA-N 1 3 369.456 0.928 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]2O)CC1 ZINC001078227193 1255339429 /nfs/dbraw/zinc/33/94/29/1255339429.db2.gz NJOZYGUSAHIXQU-DJIMGWMZSA-N 1 3 369.456 0.928 20 30 FCEDHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCC#Cc2ccccc2)CC[N@@H+]1C ZINC001127638513 1259182526 /nfs/dbraw/zinc/18/25/26/1259182526.db2.gz KWTFQBPCQFHXAG-SJLPKXTDSA-N 1 3 356.470 0.200 20 30 FCEDHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCC#Cc2ccccc2)CC[N@H+]1C ZINC001127638513 1259182532 /nfs/dbraw/zinc/18/25/32/1259182532.db2.gz KWTFQBPCQFHXAG-SJLPKXTDSA-N 1 3 356.470 0.200 20 30 FCEDHO C=CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290482 844459925 /nfs/dbraw/zinc/45/99/25/844459925.db2.gz GJJQCUTUKWOKOF-BZUAXINKSA-N 1 3 350.507 0.703 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755416 844817047 /nfs/dbraw/zinc/81/70/47/844817047.db2.gz GJYXGWWMGKBPPO-BRWVUGGUSA-N 1 3 350.507 0.539 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755416 844817051 /nfs/dbraw/zinc/81/70/51/844817051.db2.gz GJYXGWWMGKBPPO-BRWVUGGUSA-N 1 3 350.507 0.539 20 30 FCEDHO C[N@@H+]1CCCN(CCCNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001120487539 848218176 /nfs/dbraw/zinc/21/81/76/848218176.db2.gz AACKPOGKDOPKQB-UHFFFAOYSA-N 1 3 364.515 0.949 20 30 FCEDHO C[N@H+]1CCCN(CCCNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001120487539 848218180 /nfs/dbraw/zinc/21/81/80/848218180.db2.gz AACKPOGKDOPKQB-UHFFFAOYSA-N 1 3 364.515 0.949 20 30 FCEDHO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001130302388 848999180 /nfs/dbraw/zinc/99/91/80/848999180.db2.gz XVXYIICVBWWGQM-RYRKJORJSA-N 1 3 350.507 0.988 20 30 FCEDHO C=C[C@@H]1C[C@]1(N)C(=O)N1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001158386181 850044496 /nfs/dbraw/zinc/04/44/96/850044496.db2.gz YRADRTVJMGPTOL-AQNFWKISSA-N 1 3 361.364 0.433 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001215036083 855055658 /nfs/dbraw/zinc/05/56/58/855055658.db2.gz MRPLFAOBNUZNGG-ZACQAIPSSA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001215036083 855055668 /nfs/dbraw/zinc/05/56/68/855055668.db2.gz MRPLFAOBNUZNGG-ZACQAIPSSA-N 1 3 350.507 0.846 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]C[C@H](O)COC)CC1 ZINC001230251735 857319017 /nfs/dbraw/zinc/31/90/17/857319017.db2.gz GPYGJXQXZKEPPS-RCCFBDPRSA-N 1 3 351.491 0.356 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)C(C)C ZINC000419571602 246206676 /nfs/dbraw/zinc/20/66/76/246206676.db2.gz OZXSGCMZCCDLFX-GVDBMIGSSA-N 1 3 350.507 0.997 20 30 FCEDHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCN(C)C1=O ZINC000329465609 489007402 /nfs/dbraw/zinc/00/74/02/489007402.db2.gz VPUYETPOAKTHNA-MRXNPFEDSA-N 1 3 351.495 0.622 20 30 FCEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000293355002 489183821 /nfs/dbraw/zinc/18/38/21/489183821.db2.gz LCLRXEKOTCOBEY-UHFFFAOYSA-N 1 3 374.489 0.550 20 30 FCEDHO C=CCN1CCC(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417525838 489657099 /nfs/dbraw/zinc/65/70/99/489657099.db2.gz LOHSQKUSOMBMPN-CQSZACIVSA-N 1 3 363.428 0.772 20 30 FCEDHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000423077510 490536769 /nfs/dbraw/zinc/53/67/69/490536769.db2.gz UDBTULRCTDAMIO-GOSISDBHSA-N 1 3 371.485 0.516 20 30 FCEDHO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000515582153 490832632 /nfs/dbraw/zinc/83/26/32/490832632.db2.gz POHFJUNHNGXQPL-HOTGVXAUSA-N 1 3 354.495 0.036 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000561437505 491608358 /nfs/dbraw/zinc/60/83/58/491608358.db2.gz JFYUPUJIXUAECO-RDJZCZTQSA-N 1 3 350.507 0.942 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000561437505 491608361 /nfs/dbraw/zinc/60/83/61/491608361.db2.gz JFYUPUJIXUAECO-RDJZCZTQSA-N 1 3 350.507 0.942 20 30 FCEDHO CCNS(=O)(=O)c1ccc(CNC(=[NH2+])NC[C@H]2CCCN2CC)cc1 ZINC000268585721 528379071 /nfs/dbraw/zinc/37/90/71/528379071.db2.gz LPBKGMMJBACBSY-OAHLLOKOSA-N 1 3 367.519 0.873 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(N2CCN(C)CC2)c1 ZINC000104163575 529073510 /nfs/dbraw/zinc/07/35/10/529073510.db2.gz JICVJTZIDIZTDQ-QGZVFWFLSA-N 1 3 359.522 0.722 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(NS(C)(=O)=O)cc1 ZINC000264085800 529101133 /nfs/dbraw/zinc/10/11/33/529101133.db2.gz JRRJWCWJUOTKTN-HNNXBMFYSA-N 1 3 353.492 0.947 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419853350 535861114 /nfs/dbraw/zinc/86/11/14/535861114.db2.gz AOVBVUDMJDUAHX-QGZVFWFLSA-N 1 3 357.458 0.302 20 30 FCEDHO C#CC[N@@H+](C)CCCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000836348958 670045453 /nfs/dbraw/zinc/04/54/53/670045453.db2.gz HYPHMRHLPMCQRJ-INIZCTEOSA-N 1 3 351.495 0.183 20 30 FCEDHO C#CC[N@H+](C)CCCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000836348958 670045456 /nfs/dbraw/zinc/04/54/56/670045456.db2.gz HYPHMRHLPMCQRJ-INIZCTEOSA-N 1 3 351.495 0.183 20 30 FCEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535854 1188322734 /nfs/dbraw/zinc/32/27/34/1188322734.db2.gz DKDGDCMQHQEGOI-DOXZYTNZSA-N 1 3 359.474 0.861 20 30 FCEDHO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1c(C(=O)OC)nc(C(C)(C)N)n(C)c1=O ZINC001218452307 1224162270 /nfs/dbraw/zinc/16/22/70/1224162270.db2.gz VYCHFJAYPIBYMG-VXGBXAGGSA-N 1 3 364.446 0.836 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000553328395 1193989004 /nfs/dbraw/zinc/98/90/04/1193989004.db2.gz PCMCOQASETUXKA-KRWDZBQOSA-N 1 3 362.518 0.943 20 30 FCEDHO C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CN3CCOCC3)[C@H]2C1 ZINC001219033477 1224305523 /nfs/dbraw/zinc/30/55/23/1224305523.db2.gz NTUMGXKPEKZTCM-FGTMMUONSA-N 1 3 367.490 0.069 20 30 FCEDHO C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)CN3CCOCC3)[C@H]2C1 ZINC001219033477 1224305529 /nfs/dbraw/zinc/30/55/29/1224305529.db2.gz NTUMGXKPEKZTCM-FGTMMUONSA-N 1 3 367.490 0.069 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C ZINC001106134018 1197177205 /nfs/dbraw/zinc/17/72/05/1197177205.db2.gz VVQOWMAUEDSYIE-IAGOWNOFSA-N 1 3 362.518 0.684 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCC2)CC1 ZINC001085432963 1197899012 /nfs/dbraw/zinc/89/90/12/1197899012.db2.gz ZEJVKHWXVVMSMM-QZTJIDSGSA-N 1 3 360.502 0.581 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005975 1201475709 /nfs/dbraw/zinc/47/57/09/1201475709.db2.gz NLJMWBMHOYWMIA-BBWFWOEESA-N 1 3 362.478 0.164 20 30 FCEDHO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2cncc2C)n1 ZINC001130222753 1201552056 /nfs/dbraw/zinc/55/20/56/1201552056.db2.gz DCFUBEWILWIEHA-GJZGRUSLSA-N 1 3 371.445 0.111 20 30 FCEDHO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cncc2C)[nH]1 ZINC001130222753 1201552058 /nfs/dbraw/zinc/55/20/58/1201552058.db2.gz DCFUBEWILWIEHA-GJZGRUSLSA-N 1 3 371.445 0.111 20 30 FCEDHO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)CCC)[n-]1 ZINC001130249210 1201569454 /nfs/dbraw/zinc/56/94/54/1201569454.db2.gz PKGZBMWVNCJDGS-GJZGRUSLSA-N 1 3 364.494 0.801 20 30 FCEDHO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)CCC)[n-]1 ZINC001130249210 1201569459 /nfs/dbraw/zinc/56/94/59/1201569459.db2.gz PKGZBMWVNCJDGS-GJZGRUSLSA-N 1 3 364.494 0.801 20 30 FCEDHO C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(CC)CC)CC1 ZINC001130305418 1201581702 /nfs/dbraw/zinc/58/17/02/1201581702.db2.gz ZLWKJVMHEXESMI-XLIONFOSSA-N 1 3 362.518 0.827 20 30 FCEDHO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@@H+](C)CC)n[n-]2)O1 ZINC001130812826 1202805474 /nfs/dbraw/zinc/80/54/74/1202805474.db2.gz CANYCEWMYFFHMK-LSDHHAIUSA-N 1 3 362.478 0.596 20 30 FCEDHO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@H+](C)CC)n[n-]2)O1 ZINC001130812826 1202805475 /nfs/dbraw/zinc/80/54/75/1202805475.db2.gz CANYCEWMYFFHMK-LSDHHAIUSA-N 1 3 362.478 0.596 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1cncn1C ZINC001131091496 1202861402 /nfs/dbraw/zinc/86/14/02/1202861402.db2.gz KQENLUSJTMQJJN-IAGOWNOFSA-N 1 3 363.506 0.849 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001178731406 1206363501 /nfs/dbraw/zinc/36/35/01/1206363501.db2.gz VPYJBBOAEIFBFU-TWMKSMIVSA-N 1 3 363.506 0.668 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731406 1206363504 /nfs/dbraw/zinc/36/35/04/1206363504.db2.gz VPYJBBOAEIFBFU-TWMKSMIVSA-N 1 3 363.506 0.668 20 30 FCEDHO C=C[C@H](O)C[NH+]1CCC2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276815116 1224987912 /nfs/dbraw/zinc/98/79/12/1224987912.db2.gz NNPHACRSNVFSIR-SFHVURJKSA-N 1 3 364.534 0.485 20 30 FCEDHO C#CCN(C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)C1CCN(C)CC1 ZINC000886581058 1210832802 /nfs/dbraw/zinc/83/28/02/1210832802.db2.gz IQIVYMXWXMUSGW-MJGOQNOKSA-N 1 3 374.529 0.875 20 30 FCEDHO C#CCN(C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)C1CCN(C)CC1 ZINC000886581058 1210832804 /nfs/dbraw/zinc/83/28/04/1210832804.db2.gz IQIVYMXWXMUSGW-MJGOQNOKSA-N 1 3 374.529 0.875 20 30 FCEDHO C=CCCC[N@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001276339147 1213419308 /nfs/dbraw/zinc/41/93/08/1213419308.db2.gz OYSVMCLGBZGVNN-FQEVSTJZSA-N 1 3 364.534 0.893 20 30 FCEDHO C=CCCC[N@@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001276339147 1213419311 /nfs/dbraw/zinc/41/93/11/1213419311.db2.gz OYSVMCLGBZGVNN-FQEVSTJZSA-N 1 3 364.534 0.893 20 30 FCEDHO C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1 ZINC001070587089 1219480075 /nfs/dbraw/zinc/48/00/75/1219480075.db2.gz ZKNMXFWXJNQWOC-ZNMIVQPWSA-N 1 3 360.462 0.158 20 30 FCEDHO C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)n1 ZINC001070587089 1219480077 /nfs/dbraw/zinc/48/00/77/1219480077.db2.gz ZKNMXFWXJNQWOC-ZNMIVQPWSA-N 1 3 360.462 0.158 20 30 FCEDHO C#CCN1CCOC[C@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n[nH]1 ZINC001070587089 1219480080 /nfs/dbraw/zinc/48/00/80/1219480080.db2.gz ZKNMXFWXJNQWOC-ZNMIVQPWSA-N 1 3 360.462 0.158 20 30 FCEDHO C#CCN1CCOC[C@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)n[nH]1 ZINC001070587089 1219480083 /nfs/dbraw/zinc/48/00/83/1219480083.db2.gz ZKNMXFWXJNQWOC-ZNMIVQPWSA-N 1 3 360.462 0.158 20 30 FCEDHO C#CCN1CCOC[C@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[nH]1 ZINC001070587089 1219480085 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AJCWJQNKLQSUDY-SJLPKXTDSA-N 1 3 362.518 0.542 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](CC(=O)NCC)C[C@H]2C)CC1 ZINC001103751478 1220964367 /nfs/dbraw/zinc/96/43/67/1220964367.db2.gz AJCWJQNKLQSUDY-SJLPKXTDSA-N 1 3 362.518 0.542 20 30 FCEDHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC#N)[C@@H](O)OC(C)(C)C)C1 ZINC001143203467 1222869342 /nfs/dbraw/zinc/86/93/42/1222869342.db2.gz VXVQFHGRGRLGHS-WAXYHTEFSA-N 1 3 370.494 0.586 20 30 FCEDHO N#C[C@@H]1CNCCN1C(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001157982103 1223085672 /nfs/dbraw/zinc/08/56/72/1223085672.db2.gz JBYSSWULLBGWTC-SFHLNBCPSA-N 1 3 367.497 0.812 20 30 FCEDHO CCOC(=O)CN(CC[NH3+])c1nc2ccccc2nc1C(C#N)C(=O)OC ZINC001159864510 1223138207 /nfs/dbraw/zinc/13/82/07/1223138207.db2.gz DPIBMMGOELTBQV-LBPRGKRZSA-N 1 3 371.397 0.738 20 30 FCEDHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H](N)Cc1ccccc1C#N ZINC001159929327 1223140057 /nfs/dbraw/zinc/14/00/57/1223140057.db2.gz CHBRQHSGNBGBPU-GBESFXJTSA-N 1 3 355.486 0.665 20 30 FCEDHO C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423977 1223999101 /nfs/dbraw/zinc/99/91/01/1223999101.db2.gz ZHPBXNCNYYTICT-QLFBSQMISA-N 1 3 367.494 0.165 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NC3CC3)C2)CC1 ZINC001216842988 1224078033 /nfs/dbraw/zinc/07/80/33/1224078033.db2.gz QTJBRIHQQBKEBT-IIDMSEBBSA-N 1 3 360.502 0.435 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000940962756 1246418065 /nfs/dbraw/zinc/41/80/65/1246418065.db2.gz VYNBIEORGUCRKT-KBAYOESNSA-N 1 3 360.502 0.389 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000940962756 1246418071 /nfs/dbraw/zinc/41/80/71/1246418071.db2.gz VYNBIEORGUCRKT-KBAYOESNSA-N 1 3 360.502 0.389 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CC1 ZINC001082941336 1257159317 /nfs/dbraw/zinc/15/93/17/1257159317.db2.gz HTGIYBVLOOBISA-BPQIPLTHSA-N 1 3 360.502 0.389 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCn4cncn4)[C@H]3C2)CC1 ZINC001085100558 1258594146 /nfs/dbraw/zinc/59/41/46/1258594146.db2.gz MQNFRLCYISXQPC-MJGOQNOKSA-N 1 3 370.501 0.546 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCn4cncn4)[C@H]3C2)CC1 ZINC001085100558 1258594150 /nfs/dbraw/zinc/59/41/50/1258594150.db2.gz MQNFRLCYISXQPC-MJGOQNOKSA-N 1 3 370.501 0.546 20 30 FCEDHO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001215535963 1259534407 /nfs/dbraw/zinc/53/44/07/1259534407.db2.gz APFKADIQBUROLR-IXDOHACOSA-N 1 3 363.506 0.669 20 30 FCEDHO C#CCNC(=O)CC[NH2+]Cc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001336755064 1260215199 /nfs/dbraw/zinc/21/51/99/1260215199.db2.gz OOSBKZAJSFAATL-UHFFFAOYSA-N 1 3 356.470 0.741 20 30 FCEDHO CN1CCN(c2ccnc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)c2)CC1 ZINC001578537140 1275967114 /nfs/dbraw/zinc/96/71/14/1275967114.db2.gz OWSOLUHXBLRRIM-XAUUPUKJSA-N 1 3 354.458 0.911 20 30 FCEDHO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103086935 844698839 /nfs/dbraw/zinc/69/88/39/844698839.db2.gz XXUTXNHODZWECG-QGPMSJSTSA-N 1 3 350.507 0.703 20 30 FCEDHO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001103086935 844698844 /nfs/dbraw/zinc/69/88/44/844698844.db2.gz XXUTXNHODZWECG-QGPMSJSTSA-N 1 3 350.507 0.703 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550565 844778684 /nfs/dbraw/zinc/77/86/84/844778684.db2.gz WZCSKFUJGHERRN-BRWVUGGUSA-N 1 3 350.507 0.540 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(CC)CC)C1 ZINC001103550565 844778689 /nfs/dbraw/zinc/77/86/89/844778689.db2.gz WZCSKFUJGHERRN-BRWVUGGUSA-N 1 3 350.507 0.540 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105066900 844976783 /nfs/dbraw/zinc/97/67/83/844976783.db2.gz FXOMUPNIKTTYDQ-BRWVUGGUSA-N 1 3 350.507 0.539 20 30 FCEDHO C=C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276814214 861623609 /nfs/dbraw/zinc/62/36/09/861623609.db2.gz FLNCMNJAAQVKNY-IEBWSBKVSA-N 1 3 350.507 0.095 20 30 FCEDHO C=C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276814214 861623613 /nfs/dbraw/zinc/62/36/13/861623613.db2.gz FLNCMNJAAQVKNY-IEBWSBKVSA-N 1 3 350.507 0.095 20 30 FCEDHO C=C(C)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001142515491 849446519 /nfs/dbraw/zinc/44/65/19/849446519.db2.gz OJSQXHQGOQOVQL-WAXYHTEFSA-N 1 3 357.495 0.858 20 30 FCEDHO C=CCOC[C@@H](O)C[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277775316 862067360 /nfs/dbraw/zinc/06/73/60/862067360.db2.gz MUKPULLYCXBSMF-PKOBYXMFSA-N 1 3 353.507 0.816 20 30 FCEDHO C=CCOC[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277775316 862067377 /nfs/dbraw/zinc/06/73/77/862067377.db2.gz MUKPULLYCXBSMF-PKOBYXMFSA-N 1 3 353.507 0.816 20 30 FCEDHO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214343753 854928565 /nfs/dbraw/zinc/92/85/65/854928565.db2.gz FIJPFXDOHVHYEF-ZACQAIPSSA-N 1 3 350.507 0.942 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001215036082 855056034 /nfs/dbraw/zinc/05/60/34/855056034.db2.gz MRPLFAOBNUZNGG-BRWVUGGUSA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001215036082 855056039 /nfs/dbraw/zinc/05/60/39/855056039.db2.gz MRPLFAOBNUZNGG-BRWVUGGUSA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001215575156 855129916 /nfs/dbraw/zinc/12/99/16/855129916.db2.gz MGNRPJGMHSHHLV-ZACQAIPSSA-N 1 3 350.507 0.964 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)C(C)C ZINC000419567098 246203978 /nfs/dbraw/zinc/20/39/78/246203978.db2.gz HPUHKGVGNGBPSJ-BRWVUGGUSA-N 1 3 350.507 0.997 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)C(C)C ZINC000419567959 246206031 /nfs/dbraw/zinc/20/60/31/246206031.db2.gz JUWRXQHRRIPZHV-OKZBNKHCSA-N 1 3 362.518 0.869 20 30 FCEDHO COc1ccc(CNC(=[NH2+])NC[C@@H](C)CN2CCN(C)CC2)cc1OC ZINC000264083168 533551545 /nfs/dbraw/zinc/55/15/45/533551545.db2.gz IDNGSEDWCXIGSC-OAHLLOKOSA-N 1 3 363.506 0.992 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(N2CCOCC2)CCSC1 ZINC000303880455 488892754 /nfs/dbraw/zinc/89/27/54/488892754.db2.gz KGTMVRZBDVUDKN-WBVHZDCISA-N 1 3 355.552 0.583 20 30 FCEDHO C[C@@H]1CN(CCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCCO1 ZINC000277558624 488788721 /nfs/dbraw/zinc/78/87/21/488788721.db2.gz ZMEVZERIGJIVCG-MRXNPFEDSA-N 1 3 361.494 0.414 20 30 FCEDHO COc1ccc(CNC(=[NH2+])NC[C@@H](O)CN2CCCCC2)cc1OC ZINC000170913188 488817636 /nfs/dbraw/zinc/81/76/36/488817636.db2.gz GXRALICBRXPRHX-OAHLLOKOSA-N 1 3 350.463 0.955 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423069403 490535046 /nfs/dbraw/zinc/53/50/46/490535046.db2.gz BBYUGCKCNZUPNT-UHFFFAOYSA-N 1 3 371.485 0.646 20 30 FCEDHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000423073836 490535997 /nfs/dbraw/zinc/53/59/97/490535997.db2.gz KCHNTGRYBRNUBS-CRAIPNDOSA-N 1 3 371.485 0.644 20 30 FCEDHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000423073839 490536760 /nfs/dbraw/zinc/53/67/60/490536760.db2.gz KCHNTGRYBRNUBS-YJBOKZPZSA-N 1 3 371.485 0.644 20 30 FCEDHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000567880197 491537411 /nfs/dbraw/zinc/53/74/11/491537411.db2.gz DLVLEEGUIPFNEH-LSDHHAIUSA-N 1 3 359.474 0.690 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000591423282 491805430 /nfs/dbraw/zinc/80/54/30/491805430.db2.gz HFCVLCUYMHGBMU-GOSISDBHSA-N 1 3 371.485 0.707 20 30 FCEDHO C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000262356272 526371503 /nfs/dbraw/zinc/37/15/03/526371503.db2.gz FZBOVBQFZOZHMB-YQQAZPJKSA-N 1 3 368.547 0.945 20 30 FCEDHO C#CCN1CCC(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC1 ZINC000066463770 526928246 /nfs/dbraw/zinc/92/82/46/526928246.db2.gz YKMUSXJNIRITQT-UHFFFAOYSA-N 1 3 370.497 0.939 20 30 FCEDHO C=C(C)C[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC1 ZINC001052042908 676113474 /nfs/dbraw/zinc/11/34/74/676113474.db2.gz KCKQPPGBCBHORM-FGTMMUONSA-N 1 3 350.507 0.500 20 30 FCEDHO C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104682208 1182364366 /nfs/dbraw/zinc/36/43/66/1182364366.db2.gz HJZGXZPNZULQJT-HZPDHXFCSA-N 1 3 365.522 0.678 20 30 FCEDHO C=CCN[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1n1ccnn1 ZINC001129918940 1201440795 /nfs/dbraw/zinc/44/07/95/1201440795.db2.gz NBPOGBQJPGUKMD-SJORKVTESA-N 1 3 355.446 0.727 20 30 FCEDHO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)[NH+](C)C)[n-]1 ZINC001130237951 1201560028 /nfs/dbraw/zinc/56/00/28/1201560028.db2.gz LRNNVRNEQAMGJR-KKUMJFAQSA-N 1 3 364.494 0.799 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)[n-]1 ZINC001130238004 1201560535 /nfs/dbraw/zinc/56/05/35/1201560535.db2.gz NYZRDHXVPFNRKL-ILXRZTDVSA-N 1 3 362.478 0.411 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[n-]1 ZINC001130238004 1201560539 /nfs/dbraw/zinc/56/05/39/1201560539.db2.gz NYZRDHXVPFNRKL-ILXRZTDVSA-N 1 3 362.478 0.411 20 30 FCEDHO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2ccnc2C)n1 ZINC001130248944 1201566939 /nfs/dbraw/zinc/56/69/39/1201566939.db2.gz BHDQFYFPRCQXMW-GJZGRUSLSA-N 1 3 371.445 0.111 20 30 FCEDHO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2ccnc2C)[nH]1 ZINC001130248944 1201566942 /nfs/dbraw/zinc/56/69/42/1201566942.db2.gz BHDQFYFPRCQXMW-GJZGRUSLSA-N 1 3 371.445 0.111 20 30 FCEDHO C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)O1 ZINC001130783206 1202794699 /nfs/dbraw/zinc/79/46/99/1202794699.db2.gz PUTWTFNOVKTLRI-LXTVHRRPSA-N 1 3 360.462 0.204 20 30 FCEDHO C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)O1 ZINC001130783206 1202794701 /nfs/dbraw/zinc/79/47/01/1202794701.db2.gz PUTWTFNOVKTLRI-LXTVHRRPSA-N 1 3 360.462 0.204 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1cncn1C ZINC001131017703 1202843340 /nfs/dbraw/zinc/84/33/40/1202843340.db2.gz HJLHEBJVLMCJAS-BRWVUGGUSA-N 1 3 363.506 0.847 20 30 FCEDHO CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2ccccc2C#N)CCNC1 ZINC001220523976 1224906659 /nfs/dbraw/zinc/90/66/59/1224906659.db2.gz WAJGULGOJAGRST-CVEARBPZSA-N 1 3 368.437 0.788 20 30 FCEDHO CCN(CC)CC(=O)N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884210480 1210723714 /nfs/dbraw/zinc/72/37/14/1210723714.db2.gz AVMZNFWUBOEJGC-WUJZJPHMSA-N 1 3 361.490 0.138 20 30 FCEDHO C#CCN1CCC[C@@H](NC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000890367871 1210974909 /nfs/dbraw/zinc/97/49/09/1210974909.db2.gz WVUNHCASGHFJRO-IEBWSBKVSA-N 1 3 361.534 0.894 20 30 FCEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110831410 1210987005 /nfs/dbraw/zinc/98/70/05/1210987005.db2.gz YRUQKPTWTYOOTM-WEXBMKDWSA-N 1 3 361.486 0.774 20 30 FCEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110831410 1210987007 /nfs/dbraw/zinc/98/70/07/1210987007.db2.gz YRUQKPTWTYOOTM-WEXBMKDWSA-N 1 3 361.486 0.774 20 30 FCEDHO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(Cc3ccc(C#N)nc3)C2)C1=O ZINC001275923829 1211310337 /nfs/dbraw/zinc/31/03/37/1211310337.db2.gz YQLNSXGQAGOTGO-LJQANCHMSA-N 1 3 355.442 0.856 20 30 FCEDHO C=CCn1cc(CN2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001275972711 1211319134 /nfs/dbraw/zinc/31/91/34/1211319134.db2.gz IHXVPBBXVHYITM-LJQANCHMSA-N 1 3 359.474 0.972 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001227028986 1225861452 /nfs/dbraw/zinc/86/14/52/1225861452.db2.gz WGXRJAMLNRTJCQ-IAGOWNOFSA-N 1 3 360.502 0.629 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804057883 1219110179 /nfs/dbraw/zinc/11/01/79/1219110179.db2.gz CEBOFANYWNMPKC-SJORKVTESA-N 1 3 364.490 0.123 20 30 FCEDHO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CN(C)CCC)C[C@]3(C)C2)C1=O ZINC001101443475 1220347507 /nfs/dbraw/zinc/34/75/07/1220347507.db2.gz GWWYSAGICFDGRE-UWVAXJGDSA-N 1 3 362.518 0.895 20 30 FCEDHO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CN(C)CCC)C[C@]3(C)C2)C1=O ZINC001101443475 1220347511 /nfs/dbraw/zinc/34/75/11/1220347511.db2.gz GWWYSAGICFDGRE-UWVAXJGDSA-N 1 3 362.518 0.895 20 30 FCEDHO C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1occc1CN(C)C ZINC001102285263 1220572766 /nfs/dbraw/zinc/57/27/66/1220572766.db2.gz ICUWZDYTEUOQBG-UKRRQHHQSA-N 1 3 361.446 0.279 20 30 FCEDHO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1occc1CN(C)C ZINC001102285263 1220572773 /nfs/dbraw/zinc/57/27/73/1220572773.db2.gz ICUWZDYTEUOQBG-UKRRQHHQSA-N 1 3 361.446 0.279 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CN2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375496 1220598916 /nfs/dbraw/zinc/59/89/16/1220598916.db2.gz NABOCBSJOAXPIM-BRWVUGGUSA-N 1 3 362.518 0.540 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CN2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375496 1220598926 /nfs/dbraw/zinc/59/89/26/1220598926.db2.gz NABOCBSJOAXPIM-BRWVUGGUSA-N 1 3 362.518 0.540 20 30 FCEDHO C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103308720 1220864904 /nfs/dbraw/zinc/86/49/04/1220864904.db2.gz FMRPCJVZMQIPAB-HZPDHXFCSA-N 1 3 363.506 0.575 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001103751659 1220964742 /nfs/dbraw/zinc/96/47/42/1220964742.db2.gz LIXMEHRMBPPHEI-SJLPKXTDSA-N 1 3 362.518 0.494 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001103751659 1220964746 /nfs/dbraw/zinc/96/47/46/1220964746.db2.gz LIXMEHRMBPPHEI-SJLPKXTDSA-N 1 3 362.518 0.494 20 30 FCEDHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H](N)c1ccc(C#N)cc1)CC2 ZINC001161481003 1223200730 /nfs/dbraw/zinc/20/07/30/1223200730.db2.gz QTGGCSVMVWRARO-GPMSIDNRSA-N 1 3 356.426 0.702 20 30 FCEDHO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215540973 1224005078 /nfs/dbraw/zinc/00/50/78/1224005078.db2.gz SWFGNPJNCMJHSP-CLCXKQKWSA-N 1 3 366.481 0.385 20 30 FCEDHO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215540974 1224005144 /nfs/dbraw/zinc/00/51/44/1224005144.db2.gz SWFGNPJNCMJHSP-SPYBWZPUSA-N 1 3 366.481 0.385 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383756 1224047914 /nfs/dbraw/zinc/04/79/14/1224047914.db2.gz PIRFUALUWMLDKQ-BRWVUGGUSA-N 1 3 363.506 0.527 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383756 1224047916 /nfs/dbraw/zinc/04/79/16/1224047916.db2.gz PIRFUALUWMLDKQ-BRWVUGGUSA-N 1 3 363.506 0.527 20 30 FCEDHO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216853906 1224079232 /nfs/dbraw/zinc/07/92/32/1224079232.db2.gz ONFCCXLZCLOQIG-QLFBSQMISA-N 1 3 367.494 0.163 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798669 1258965696 /nfs/dbraw/zinc/96/56/96/1258965696.db2.gz QADSEYMRGIQVDQ-KZNAEPCWSA-N 1 3 362.518 0.540 20 30 FCEDHO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107039777 1259022849 /nfs/dbraw/zinc/02/28/49/1259022849.db2.gz YLCCJCOAXHCSBU-HUUCEWRRSA-N 1 3 367.494 0.023 20 30 FCEDHO C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211669353 1259426663 /nfs/dbraw/zinc/42/66/63/1259426663.db2.gz WBEAQRIHMGISGK-YTQUADARSA-N 1 3 370.497 0.660 20 30 FCEDHO C#CCCCN1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279750507 1260927494 /nfs/dbraw/zinc/92/74/94/1260927494.db2.gz ZEEPZXDTXGVIJJ-JKSUJKDBSA-N 1 3 358.446 0.483 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCc3cn[nH]n3)C2)CC1 ZINC001574966930 1271686189 /nfs/dbraw/zinc/68/61/89/1271686189.db2.gz LHVPSAWKKBXKDL-WMZOPIPTSA-N 1 3 372.517 0.767 20 30 FCEDHO C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](CNCC(=O)NCC#N)C1 ZINC001691845276 1294939897 /nfs/dbraw/zinc/93/98/97/1294939897.db2.gz ZNXBSLVXVIVDRB-WBVHZDCISA-N 1 3 363.506 0.575 20 30 FCEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128982 838753799 /nfs/dbraw/zinc/75/37/99/838753799.db2.gz NNHSKUFQUNHLPN-KZNAEPCWSA-N 1 3 351.491 0.757 20 30 FCEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128982 838753804 /nfs/dbraw/zinc/75/38/04/838753804.db2.gz NNHSKUFQUNHLPN-KZNAEPCWSA-N 1 3 351.491 0.757 20 30 FCEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C2)C1=O ZINC001102475652 844516549 /nfs/dbraw/zinc/51/65/49/844516549.db2.gz YIRHBPRHLVXAMK-BRWVUGGUSA-N 1 3 350.507 0.799 20 30 FCEDHO C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C2)C1=O ZINC001102475652 844516551 /nfs/dbraw/zinc/51/65/51/844516551.db2.gz YIRHBPRHLVXAMK-BRWVUGGUSA-N 1 3 350.507 0.799 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103003653 844682675 /nfs/dbraw/zinc/68/26/75/844682675.db2.gz WGCWUBABNKVGSS-QBPKDAKJSA-N 1 3 350.507 0.703 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103003653 844682682 /nfs/dbraw/zinc/68/26/82/844682682.db2.gz WGCWUBABNKVGSS-QBPKDAKJSA-N 1 3 350.507 0.703 20 30 FCEDHO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103433986 844756818 /nfs/dbraw/zinc/75/68/18/844756818.db2.gz QHJPCFXUXXACRI-IXDOHACOSA-N 1 3 350.507 0.847 20 30 FCEDHO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC[C@@H]2C)C1 ZINC001103433986 844756824 /nfs/dbraw/zinc/75/68/24/844756824.db2.gz QHJPCFXUXXACRI-IXDOHACOSA-N 1 3 350.507 0.847 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104939425 844961828 /nfs/dbraw/zinc/96/18/28/844961828.db2.gz PFXACHIZXYWLPZ-BRWVUGGUSA-N 1 3 350.507 0.540 20 30 FCEDHO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(CC)CC)CC1 ZINC001130305339 848998922 /nfs/dbraw/zinc/99/89/22/848998922.db2.gz UYKCJVADGZOYMZ-APWZRJJASA-N 1 3 350.507 0.990 20 30 FCEDHO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001214954953 855039873 /nfs/dbraw/zinc/03/98/73/855039873.db2.gz MGNRPJGMHSHHLV-BRWVUGGUSA-N 1 3 350.507 0.964 20 30 FCEDHO CC(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001221292003 856539327 /nfs/dbraw/zinc/53/93/27/856539327.db2.gz CEKPCHJATSXJOX-RLFYNMQTSA-N 1 3 351.495 0.878 20 30 FCEDHO C#CCOC[C@@H](O)CNCCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001251893309 857765729 /nfs/dbraw/zinc/76/57/29/857765729.db2.gz ATALVRPIMWZJDH-INIZCTEOSA-N 1 3 357.495 0.823 20 30 FCEDHO C#CCOC[C@@H](O)CNCCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001251893309 857765735 /nfs/dbraw/zinc/76/57/35/857765735.db2.gz ATALVRPIMWZJDH-INIZCTEOSA-N 1 3 357.495 0.823 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)C(C)C ZINC000419567100 246202957 /nfs/dbraw/zinc/20/29/57/246202957.db2.gz HPUHKGVGNGBPSJ-IXDOHACOSA-N 1 3 350.507 0.997 20 30 FCEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C(C)C ZINC000419568543 246205995 /nfs/dbraw/zinc/20/59/95/246205995.db2.gz KVQBENNLQCXAQG-SJORKVTESA-N 1 3 366.506 0.377 20 30 FCEDHO N#Cc1ccc(CC(C#N)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000472027219 250128289 /nfs/dbraw/zinc/12/82/89/250128289.db2.gz LFSYPEQUSSXZJW-ZWKOTPCHSA-N 1 3 367.453 0.944 20 30 FCEDHO N#Cc1ccc(CC(C#N)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000472027219 250128294 /nfs/dbraw/zinc/12/82/94/250128294.db2.gz LFSYPEQUSSXZJW-ZWKOTPCHSA-N 1 3 367.453 0.944 20 30 FCEDHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000330141348 489072716 /nfs/dbraw/zinc/07/27/16/489072716.db2.gz PXVPHJFGIHFSGV-IXDOHACOSA-N 1 3 363.506 0.766 20 30 FCEDHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000330141348 489072718 /nfs/dbraw/zinc/07/27/18/489072718.db2.gz PXVPHJFGIHFSGV-IXDOHACOSA-N 1 3 363.506 0.766 20 30 FCEDHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000331112627 489174522 /nfs/dbraw/zinc/17/45/22/489174522.db2.gz JDVGUBQMMRMLQT-JKSUJKDBSA-N 1 3 353.511 0.869 20 30 FCEDHO CN(C)C(=O)CC[NH+]1CCC(NC[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000521030846 490215726 /nfs/dbraw/zinc/21/57/26/490215726.db2.gz DRFDYUXBKDRKNZ-GOSISDBHSA-N 1 3 374.485 0.830 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000556356111 491311380 /nfs/dbraw/zinc/31/13/80/491311380.db2.gz VSOYTEYPGCJTLZ-MRXNPFEDSA-N 1 3 350.507 0.991 20 30 FCEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)C ZINC000521905601 490309443 /nfs/dbraw/zinc/30/94/43/490309443.db2.gz YNXWDTXBIFBTCY-BRWVUGGUSA-N 1 3 363.506 0.638 20 30 FCEDHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C[C@H]1[NH3+] ZINC000423073350 490536021 /nfs/dbraw/zinc/53/60/21/490536021.db2.gz IPWTWFXWBFICNI-RHSMWYFYSA-N 1 3 357.458 0.254 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000561437501 491608715 /nfs/dbraw/zinc/60/87/15/491608715.db2.gz JFYUPUJIXUAECO-DOTOQJQBSA-N 1 3 350.507 0.942 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000561437501 491608716 /nfs/dbraw/zinc/60/87/16/491608716.db2.gz JFYUPUJIXUAECO-DOTOQJQBSA-N 1 3 350.507 0.942 20 30 FCEDHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1cccc(C#N)c1 ZINC000587706810 491736050 /nfs/dbraw/zinc/73/60/50/491736050.db2.gz XIDMQISYLUGNAW-HNNXBMFYSA-N 1 3 359.474 0.687 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601579122 491936316 /nfs/dbraw/zinc/93/63/16/491936316.db2.gz CCJMOPNFDDKXAH-HDICACEKSA-N 1 3 369.469 0.411 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000672355421 493758758 /nfs/dbraw/zinc/75/87/58/493758758.db2.gz ZJLVNSBBPVIWEN-UHFFFAOYSA-N 1 3 357.458 0.497 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000264124096 529100604 /nfs/dbraw/zinc/10/06/04/529100604.db2.gz VYIQHGRMWBOBPC-SFHVURJKSA-N 1 3 372.517 0.724 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000264087923 529101534 /nfs/dbraw/zinc/10/15/34/529101534.db2.gz JZECUPJTWCNXGX-AWEZNQCLSA-N 1 3 363.462 0.448 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000884642538 673469288 /nfs/dbraw/zinc/46/92/88/673469288.db2.gz LOEYTECVPDXRQR-LJQANCHMSA-N 1 3 350.507 0.977 20 30 FCEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001104832872 1182941007 /nfs/dbraw/zinc/94/10/07/1182941007.db2.gz YKMUEQOULLRAGL-QZTJIDSGSA-N 1 3 362.518 0.542 20 30 FCEDHO C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076467109 1194501677 /nfs/dbraw/zinc/50/16/77/1194501677.db2.gz DBOWRTKWFCACHB-YESZJQIVSA-N 1 3 358.486 0.402 20 30 FCEDHO COc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218978771 1224278045 /nfs/dbraw/zinc/27/80/45/1224278045.db2.gz FCGMOQSGQQLVDW-HOCLYGCPSA-N 1 3 373.457 0.953 20 30 FCEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030738 1201480982 /nfs/dbraw/zinc/48/09/82/1201480982.db2.gz PDLWEXKGLKSBJX-KURKYZTESA-N 1 3 358.490 0.906 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@H]2C)[n-]1 ZINC001130238153 1201561282 /nfs/dbraw/zinc/56/12/82/1201561282.db2.gz WDBSHUIKVFHCGI-ILXRZTDVSA-N 1 3 362.478 0.553 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@H]2C)[n-]1 ZINC001130238153 1201561284 /nfs/dbraw/zinc/56/12/84/1201561284.db2.gz WDBSHUIKVFHCGI-ILXRZTDVSA-N 1 3 362.478 0.553 20 30 FCEDHO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC[NH+](C)C)[n-]1 ZINC001130247236 1201567361 /nfs/dbraw/zinc/56/73/61/1201567361.db2.gz ZRRXVBJXAFBBSJ-GJZGRUSLSA-N 1 3 362.478 0.248 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130615334 1202731772 /nfs/dbraw/zinc/73/17/72/1202731772.db2.gz QOOSLYXDKGGSLM-CGTJXYLNSA-N 1 3 363.506 0.847 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736362 1202769375 /nfs/dbraw/zinc/76/93/75/1202769375.db2.gz COBHPCMOOCMLMA-FUHWJXTLSA-N 1 3 363.506 0.847 20 30 FCEDHO CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000104174586 1210938200 /nfs/dbraw/zinc/93/82/00/1210938200.db2.gz HQYVBHZRDAEALC-OAHLLOKOSA-N 1 3 368.526 0.395 20 30 FCEDHO C#CCN[C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)C1 ZINC001069838726 1216805270 /nfs/dbraw/zinc/80/52/70/1216805270.db2.gz GASBOLKTJOIJMJ-KBAYOESNSA-N 1 3 355.486 0.840 20 30 FCEDHO C#CCN[C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)C1 ZINC001069838726 1216805271 /nfs/dbraw/zinc/80/52/71/1216805271.db2.gz GASBOLKTJOIJMJ-KBAYOESNSA-N 1 3 355.486 0.840 20 30 FCEDHO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103090579 1220830799 /nfs/dbraw/zinc/83/07/99/1220830799.db2.gz ZUGCVZSBAVOQCQ-IXDOHACOSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103090579 1220830801 /nfs/dbraw/zinc/83/08/01/1220830801.db2.gz ZUGCVZSBAVOQCQ-IXDOHACOSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C[C@H](O)COC)C3)CC1 ZINC001112004329 1221198351 /nfs/dbraw/zinc/19/83/51/1221198351.db2.gz WNUFCJAGGZZNTD-BJLQDIEVSA-N 1 3 363.502 0.310 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](C[C@H](O)COC)C3)CC1 ZINC001112004329 1221198353 /nfs/dbraw/zinc/19/83/53/1221198353.db2.gz WNUFCJAGGZZNTD-BJLQDIEVSA-N 1 3 363.502 0.310 20 30 FCEDHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC#N)[C@H](O)OC(C)(C)C)C1 ZINC001143203465 1222869713 /nfs/dbraw/zinc/86/97/13/1222869713.db2.gz VXVQFHGRGRLGHS-CUINURIISA-N 1 3 370.494 0.586 20 30 FCEDHO C=CCN1C(=O)CC[C@@]12CCCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001159652779 1223132496 /nfs/dbraw/zinc/13/24/96/1223132496.db2.gz KDGPBWCEROPDKD-NSISKUIASA-N 1 3 360.502 0.745 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001215930310 1224025436 /nfs/dbraw/zinc/02/54/36/1224025436.db2.gz XGGFMKQGVNTFPX-CRAIPNDOSA-N 1 3 356.470 0.548 20 30 FCEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216384078 1224047882 /nfs/dbraw/zinc/04/78/82/1224047882.db2.gz XDJZOMSODVRGTF-FGTMMUONSA-N 1 3 362.518 0.965 20 30 FCEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216384078 1224047886 /nfs/dbraw/zinc/04/78/86/1224047886.db2.gz XDJZOMSODVRGTF-FGTMMUONSA-N 1 3 362.518 0.965 20 30 FCEDHO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001216841067 1224078089 /nfs/dbraw/zinc/07/80/89/1224078089.db2.gz OGHJPMKTCZDJBE-CRAIPNDOSA-N 1 3 356.470 0.548 20 30 FCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc(C#N)cc1 ZINC001329647391 1265799084 /nfs/dbraw/zinc/79/90/84/1265799084.db2.gz BHHBGNDMBGIHFD-UHFFFAOYSA-N 1 3 359.474 0.169 20 30 FCEDHO C=CCN1CC[C@H](N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C)C1=O ZINC001082617381 1256927522 /nfs/dbraw/zinc/92/75/22/1256927522.db2.gz PKVZSCUOEKDWOJ-IXDOHACOSA-N 1 3 360.502 0.838 20 30 FCEDHO C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)C1=O ZINC001082743764 1257023014 /nfs/dbraw/zinc/02/30/14/1257023014.db2.gz AFJXTOHRPIHUFH-BRWVUGGUSA-N 1 3 362.518 0.942 20 30 FCEDHO CCN(CCC#N)C(=O)CNC1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001484634336 1263481881 /nfs/dbraw/zinc/48/18/81/1263481881.db2.gz LEWXHFMXXWBNEP-HZPDHXFCSA-N 1 3 363.506 0.717 20 30 FCEDHO CCN(CCC#N)C(=O)CNC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001484634336 1263481885 /nfs/dbraw/zinc/48/18/85/1263481885.db2.gz LEWXHFMXXWBNEP-HZPDHXFCSA-N 1 3 363.506 0.717 20 30 FCEDHO C=CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001753027906 1290618766 /nfs/dbraw/zinc/61/87/66/1290618766.db2.gz UQARMUJCQCFJDR-IXDOHACOSA-N 1 3 350.507 0.990 20 30 FCEDHO C=CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001753027906 1290618778 /nfs/dbraw/zinc/61/87/78/1290618778.db2.gz UQARMUJCQCFJDR-IXDOHACOSA-N 1 3 350.507 0.990 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001757266578 1290753845 /nfs/dbraw/zinc/75/38/45/1290753845.db2.gz MCTPHJDXGQBAHR-QZTJIDSGSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520388 844548781 /nfs/dbraw/zinc/54/87/81/844548781.db2.gz IKDNPVJDSLLJLK-IXDOHACOSA-N 1 3 350.507 0.540 20 30 FCEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523106 841121635 /nfs/dbraw/zinc/12/16/35/841121635.db2.gz NNHSKUFQUNHLPN-SQNIBIBYSA-N 1 3 351.491 0.757 20 30 FCEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523106 841121641 /nfs/dbraw/zinc/12/16/41/841121641.db2.gz NNHSKUFQUNHLPN-SQNIBIBYSA-N 1 3 351.491 0.757 20 30 FCEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104322553 844894114 /nfs/dbraw/zinc/89/41/14/844894114.db2.gz QKKZZKPECYLGMZ-NUJGCVRESA-N 1 3 352.523 0.949 20 30 FCEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104639524 844927563 /nfs/dbraw/zinc/92/75/63/844927563.db2.gz QKKZZKPECYLGMZ-JFIYKMOQSA-N 1 3 352.523 0.949 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001104939426 844961325 /nfs/dbraw/zinc/96/13/25/844961325.db2.gz PFXACHIZXYWLPZ-IXDOHACOSA-N 1 3 350.507 0.540 20 30 FCEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CN(CC)CC)C[C@H]2C)C1=O ZINC001106783847 845252118 /nfs/dbraw/zinc/25/21/18/845252118.db2.gz XWOKHFFAIPFIIX-BRWVUGGUSA-N 1 3 350.507 0.799 20 30 FCEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CN(C)CCC)C[C@H]2C)C1=O ZINC001106910578 845284283 /nfs/dbraw/zinc/28/42/83/845284283.db2.gz DYYYZSVIXFFHCL-BRWVUGGUSA-N 1 3 350.507 0.799 20 30 FCEDHO C=C[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276814216 861623516 /nfs/dbraw/zinc/62/35/16/861623516.db2.gz FLNCMNJAAQVKNY-PKOBYXMFSA-N 1 3 350.507 0.095 20 30 FCEDHO C=C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276814216 861623524 /nfs/dbraw/zinc/62/35/24/861623524.db2.gz FLNCMNJAAQVKNY-PKOBYXMFSA-N 1 3 350.507 0.095 20 30 FCEDHO C=C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276814989 861624682 /nfs/dbraw/zinc/62/46/82/861624682.db2.gz LUKARSZHIGCIEQ-KZNAEPCWSA-N 1 3 350.507 0.236 20 30 FCEDHO C=C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276814989 861624690 /nfs/dbraw/zinc/62/46/90/861624690.db2.gz LUKARSZHIGCIEQ-KZNAEPCWSA-N 1 3 350.507 0.236 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+](CC)CC)[n-]1 ZINC001130244123 848986197 /nfs/dbraw/zinc/98/61/97/848986197.db2.gz ASCSCUQCKCSALG-KBPBESRZSA-N 1 3 350.467 0.411 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845316 855022228 /nfs/dbraw/zinc/02/22/28/855022228.db2.gz NYBBVXYRCVIKHY-IXDOHACOSA-N 1 3 350.507 0.703 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845316 855022235 /nfs/dbraw/zinc/02/22/35/855022235.db2.gz NYBBVXYRCVIKHY-IXDOHACOSA-N 1 3 350.507 0.703 20 30 FCEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423287 855113135 /nfs/dbraw/zinc/11/31/35/855113135.db2.gz FTHXHIAISCJYNT-IAGOWNOFSA-N 1 3 350.507 0.965 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216980306 855272768 /nfs/dbraw/zinc/27/27/68/855272768.db2.gz GBQCZMHDGJOVKM-IAGOWNOFSA-N 1 3 350.507 0.991 20 30 FCEDHO C=CCCN1C[C@H]2OCCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650924 855458841 /nfs/dbraw/zinc/45/88/41/855458841.db2.gz PNMLKSHFVFEVML-FGTMMUONSA-N 1 3 351.491 0.975 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C(C)C ZINC000419568541 246205588 /nfs/dbraw/zinc/20/55/88/246205588.db2.gz KVQBENNLQCXAQG-IAGOWNOFSA-N 1 3 366.506 0.377 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000419575966 246207084 /nfs/dbraw/zinc/20/70/84/246207084.db2.gz WZHRXWGDEVLHGE-IXDOHACOSA-N 1 3 350.507 0.915 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@H]2C)CC1 ZINC000419722634 246270153 /nfs/dbraw/zinc/27/01/53/246270153.db2.gz DZLPTDFHDCBIII-ZFWWWQNUSA-N 1 3 352.479 0.372 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000417540916 489657615 /nfs/dbraw/zinc/65/76/15/489657615.db2.gz QBXXPAAFDWYNRL-HNNXBMFYSA-N 1 3 351.495 0.523 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420066191 489900962 /nfs/dbraw/zinc/90/09/62/489900962.db2.gz QTXOVGJEUMGPNF-KRWDZBQOSA-N 1 3 357.458 0.302 20 30 FCEDHO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420984857 490039984 /nfs/dbraw/zinc/03/99/84/490039984.db2.gz UWYVMWUTMVPJQH-INIZCTEOSA-N 1 3 365.522 0.879 20 30 FCEDHO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420984857 490039989 /nfs/dbraw/zinc/03/99/89/490039989.db2.gz UWYVMWUTMVPJQH-INIZCTEOSA-N 1 3 365.522 0.879 20 30 FCEDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCn1cnc(C#N)n1 ZINC000510609468 490527683 /nfs/dbraw/zinc/52/76/83/490527683.db2.gz ZFLRIBSWVGQDHH-HNNXBMFYSA-N 1 3 362.482 0.207 20 30 FCEDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCn1cnc(C#N)n1 ZINC000510609468 490527689 /nfs/dbraw/zinc/52/76/89/490527689.db2.gz ZFLRIBSWVGQDHH-HNNXBMFYSA-N 1 3 362.482 0.207 20 30 FCEDHO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000515582154 490832412 /nfs/dbraw/zinc/83/24/12/490832412.db2.gz POHFJUNHNGXQPL-HZPDHXFCSA-N 1 3 354.495 0.036 20 30 FCEDHO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000262809208 526378582 /nfs/dbraw/zinc/37/85/82/526378582.db2.gz TUUPKWJPTKBKEA-FUHWJXTLSA-N 1 3 369.579 0.653 20 30 FCEDHO C=CCN1CCC(NC(NCC2CCN(S(C)(=O)=O)CC2)=[NH+]C)CC1 ZINC000261729520 526415815 /nfs/dbraw/zinc/41/58/15/526415815.db2.gz YAEJBJTXCKPEHV-UHFFFAOYSA-N 1 3 371.551 0.473 20 30 FCEDHO CCN(CC)[C@@H]1CCN(C(NCC2CCN(S(C)(=O)=O)CC2)=[NH+]C)C1 ZINC000261729429 528248447 /nfs/dbraw/zinc/24/84/47/528248447.db2.gz XWGOKYWQVKWLNP-MRXNPFEDSA-N 1 3 373.567 0.650 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1cccs1 ZINC000160475657 529070335 /nfs/dbraw/zinc/07/03/35/529070335.db2.gz KZWBFWDPAIPIJA-GFCCVEGCSA-N 1 3 359.521 0.415 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(S(N)(=O)=O)cc1 ZINC000264128574 529072926 /nfs/dbraw/zinc/07/29/26/529072926.db2.gz SPYFLLYYYAKRMR-CQSZACIVSA-N 1 3 353.492 0.265 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000264087924 529073953 /nfs/dbraw/zinc/07/39/53/529073953.db2.gz JZECUPJTWCNXGX-CQSZACIVSA-N 1 3 363.462 0.448 20 30 FCEDHO CCN1CCN(CCCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264080915 529143020 /nfs/dbraw/zinc/14/30/20/529143020.db2.gz HIJUVJCDLFLCGJ-UHFFFAOYSA-N 1 3 374.537 0.331 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419886547 535860065 /nfs/dbraw/zinc/86/00/65/535860065.db2.gz DDPRGZLSRMZKKC-QZTJIDSGSA-N 1 3 371.485 0.835 20 30 FCEDHO CN1CCC(O)(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000330229770 546589436 /nfs/dbraw/zinc/58/94/36/546589436.db2.gz WBDSSQIGFBZGIJ-UHFFFAOYSA-N 1 3 350.467 0.932 20 30 FCEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@H]1C ZINC001104256664 1168815843 /nfs/dbraw/zinc/81/58/43/1168815843.db2.gz KMFIHCIULVXECO-ZACQAIPSSA-N 1 3 368.497 0.490 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104288981 1169389130 /nfs/dbraw/zinc/38/91/30/1169389130.db2.gz AXNLSMCVFOTPRL-IXDOHACOSA-N 1 3 362.518 0.683 20 30 FCEDHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](CNCC(=O)NCC#N)C1 ZINC001691358911 1171203826 /nfs/dbraw/zinc/20/38/26/1171203826.db2.gz ZVJKNCKAHHBYMG-IKGGRYGDSA-N 1 3 363.506 0.717 20 30 FCEDHO C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](CNCC(=O)NCC#N)C1 ZINC001691358911 1171203841 /nfs/dbraw/zinc/20/38/41/1171203841.db2.gz ZVJKNCKAHHBYMG-IKGGRYGDSA-N 1 3 363.506 0.717 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC1 ZINC000897674860 1192840764 /nfs/dbraw/zinc/84/07/64/1192840764.db2.gz JXTKJBUWJAFDOI-INIZCTEOSA-N 1 3 371.485 0.885 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@@H](C)C1)C2 ZINC001112529693 1186087663 /nfs/dbraw/zinc/08/76/63/1186087663.db2.gz LBTPKLAJQCZFOB-UWVAXJGDSA-N 1 3 360.502 0.296 20 30 FCEDHO CC(C)(C)N1CC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CCN1C(C)(C)C ZINC000897358542 1190817029 /nfs/dbraw/zinc/81/70/29/1190817029.db2.gz UTFAZICITRKDTC-HZPDHXFCSA-N 1 3 362.518 0.968 20 30 FCEDHO CC(C)(C)N1CC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897358542 1190817030 /nfs/dbraw/zinc/81/70/30/1190817030.db2.gz UTFAZICITRKDTC-HZPDHXFCSA-N 1 3 362.518 0.968 20 30 FCEDHO CC(C)(C)N1CC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897358542 1190817034 /nfs/dbraw/zinc/81/70/34/1190817034.db2.gz UTFAZICITRKDTC-HZPDHXFCSA-N 1 3 362.518 0.968 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCNC2=O)CC1 ZINC001085432920 1197899507 /nfs/dbraw/zinc/89/95/07/1197899507.db2.gz XATIAFROYOECFX-KURKYZTESA-N 1 3 360.502 0.627 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586387 1200822851 /nfs/dbraw/zinc/82/28/51/1200822851.db2.gz XGTCZDOMXNUHLZ-ZWOKBUDYSA-N 1 3 362.518 0.683 20 30 FCEDHO N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)C1 ZINC001219847298 1224651197 /nfs/dbraw/zinc/65/11/97/1224651197.db2.gz CJAHEXSFLBKHEB-QWQQUQAHSA-N 1 3 354.454 0.714 20 30 FCEDHO C=CCOCCN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129982888 1201462492 /nfs/dbraw/zinc/46/24/92/1201462492.db2.gz JLYKWSVJKMLIIZ-CVEARBPZSA-N 1 3 362.478 0.164 20 30 FCEDHO C=CCOCCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086138 1201494023 /nfs/dbraw/zinc/49/40/23/1201494023.db2.gz NENIJJSPAXAFIL-BBWFWOEESA-N 1 3 362.478 0.164 20 30 FCEDHO C=CCOCCN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086138 1201494027 /nfs/dbraw/zinc/49/40/27/1201494027.db2.gz NENIJJSPAXAFIL-BBWFWOEESA-N 1 3 362.478 0.164 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C(C)C)[NH+](C)C)[n-]1 ZINC001130216475 1201547940 /nfs/dbraw/zinc/54/79/40/1201547940.db2.gz YMBIUDVRMXFUOU-DZKIICNBSA-N 1 3 364.494 0.655 20 30 FCEDHO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[n-]1 ZINC001130251506 1201569956 /nfs/dbraw/zinc/56/99/56/1201569956.db2.gz YIKOGIOTBYDJPX-GJZGRUSLSA-N 1 3 364.494 0.799 20 30 FCEDHO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[n-]1 ZINC001130251506 1201569960 /nfs/dbraw/zinc/56/99/60/1201569960.db2.gz YIKOGIOTBYDJPX-GJZGRUSLSA-N 1 3 364.494 0.799 20 30 FCEDHO CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)O1 ZINC001130782986 1202794591 /nfs/dbraw/zinc/79/45/91/1202794591.db2.gz IPXKSNXECHTOFV-QKPAOTATSA-N 1 3 374.489 0.594 20 30 FCEDHO CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)O1 ZINC001130782986 1202794593 /nfs/dbraw/zinc/79/45/93/1202794593.db2.gz IPXKSNXECHTOFV-QKPAOTATSA-N 1 3 374.489 0.594 20 30 FCEDHO CC[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1)N(C)C ZINC001131570915 1202915133 /nfs/dbraw/zinc/91/51/33/1202915133.db2.gz UFMFWVJNKWQFSC-QYZOEREBSA-N 1 3 365.518 0.962 20 30 FCEDHO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000815860581 1203055242 /nfs/dbraw/zinc/05/52/42/1203055242.db2.gz RRFKHPFVKJFNOO-UHFFFAOYSA-N 1 3 360.458 0.767 20 30 FCEDHO C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000815860581 1203055244 /nfs/dbraw/zinc/05/52/44/1203055244.db2.gz RRFKHPFVKJFNOO-UHFFFAOYSA-N 1 3 360.458 0.767 20 30 FCEDHO C=CCN1CC[C@H](N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC001092936718 1205963140 /nfs/dbraw/zinc/96/31/40/1205963140.db2.gz HXDMNRGWFAIPDF-NXHRZFHOSA-N 1 3 362.518 0.799 20 30 FCEDHO C=C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276815430 1225018135 /nfs/dbraw/zinc/01/81/35/1225018135.db2.gz PTHOBRNOMXAONH-ZWKOTPCHSA-N 1 3 364.534 0.389 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)CC1 ZINC000949185325 1212316821 /nfs/dbraw/zinc/31/68/21/1212316821.db2.gz ZISLHRAKAGIAFU-BPQIPLTHSA-N 1 3 360.502 0.246 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)CC1 ZINC000949185325 1212316824 /nfs/dbraw/zinc/31/68/24/1212316824.db2.gz ZISLHRAKAGIAFU-BPQIPLTHSA-N 1 3 360.502 0.246 20 30 FCEDHO C[NH+]1CCN(CCCN2C(=O)C[C@]3(CCCN(CCC#N)C3)C2=O)CC1 ZINC001276949919 1225760084 /nfs/dbraw/zinc/76/00/84/1225760084.db2.gz YRNWOOHNKFAQPS-IBGZPJMESA-N 1 3 361.490 0.379 20 30 FCEDHO CC(C)(C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N)N1CCCCC1 ZINC001226275435 1225838527 /nfs/dbraw/zinc/83/85/27/1225838527.db2.gz LDLDSNHQUTZGGG-HZPDHXFCSA-N 1 3 363.506 0.908 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001226767172 1225854049 /nfs/dbraw/zinc/85/40/49/1225854049.db2.gz SLVZQUXDRVEMIE-RCCFBDPRSA-N 1 3 362.518 0.731 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001226767172 1225854050 /nfs/dbraw/zinc/85/40/50/1225854050.db2.gz SLVZQUXDRVEMIE-RCCFBDPRSA-N 1 3 362.518 0.731 20 30 FCEDHO COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001227614263 1225880176 /nfs/dbraw/zinc/88/01/76/1225880176.db2.gz WEAKEZJJMFZQRE-MOXMWUHRSA-N 1 3 361.486 0.516 20 30 FCEDHO CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001070371823 1219401683 /nfs/dbraw/zinc/40/16/83/1219401683.db2.gz MOQMHSNLENCXKT-UIXUWTQFSA-N 1 3 374.529 0.825 20 30 FCEDHO CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070371823 1219401685 /nfs/dbraw/zinc/40/16/85/1219401685.db2.gz MOQMHSNLENCXKT-UIXUWTQFSA-N 1 3 374.529 0.825 20 30 FCEDHO C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213812 1220557246 /nfs/dbraw/zinc/55/72/46/1220557246.db2.gz SYXMNNUMDIZZBF-BRWVUGGUSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001102977052 1220814994 /nfs/dbraw/zinc/81/49/94/1220814994.db2.gz KRRUUIGPQHPNBF-KURKYZTESA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977052 1220814996 /nfs/dbraw/zinc/81/49/96/1220814996.db2.gz KRRUUIGPQHPNBF-KURKYZTESA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994176 1220817372 /nfs/dbraw/zinc/81/73/72/1220817372.db2.gz ULXRASBSEMNGBF-KBAYOESNSA-N 1 3 360.502 0.152 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497796 1220890886 /nfs/dbraw/zinc/89/08/86/1220890886.db2.gz ZJDRKNHXJBMENK-SJLPKXTDSA-N 1 3 362.518 0.542 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC=C)CC1 ZINC001230251970 1226068798 /nfs/dbraw/zinc/06/87/98/1226068798.db2.gz SYAXGSLLAFKIGY-QZTJIDSGSA-N 1 3 360.502 0.651 20 30 FCEDHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C[C@@H](N)c1ccc(C#N)cc1)CC2 ZINC001161481002 1223200899 /nfs/dbraw/zinc/20/08/99/1223200899.db2.gz QTGGCSVMVWRARO-GJYPPUQNSA-N 1 3 356.426 0.702 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCCOC)C[C@H]2OC)CC1 ZINC001213919969 1223872284 /nfs/dbraw/zinc/87/22/84/1223872284.db2.gz KNZXMVLBDVKXEG-RTBURBONSA-N 1 3 365.518 0.964 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCCCOC)C[C@H]2OC)CC1 ZINC001213919969 1223872285 /nfs/dbraw/zinc/87/22/85/1223872285.db2.gz KNZXMVLBDVKXEG-RTBURBONSA-N 1 3 365.518 0.964 20 30 FCEDHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1NCC(=O)NCC#N ZINC001214856052 1223948336 /nfs/dbraw/zinc/94/83/36/1223948336.db2.gz WHVMAWFIOHDWMJ-DJIMGWMZSA-N 1 3 361.490 0.470 20 30 FCEDHO C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1NCC(=O)NCC#N ZINC001214856052 1223948343 /nfs/dbraw/zinc/94/83/43/1223948343.db2.gz WHVMAWFIOHDWMJ-DJIMGWMZSA-N 1 3 361.490 0.470 20 30 FCEDHO C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214948087 1223958780 /nfs/dbraw/zinc/95/87/80/1223958780.db2.gz KGSHGAIVQFGENB-BRWVUGGUSA-N 1 3 362.518 0.990 20 30 FCEDHO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001215989965 1224028910 /nfs/dbraw/zinc/02/89/10/1224028910.db2.gz PMNWHMNVSTYOCI-RBSFLKMASA-N 1 3 367.494 0.165 20 30 FCEDHO CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216321236 1224044024 /nfs/dbraw/zinc/04/40/24/1224044024.db2.gz XSRNFJUGYVNDJE-ZACQAIPSSA-N 1 3 363.506 0.717 20 30 FCEDHO CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216321236 1224044027 /nfs/dbraw/zinc/04/40/27/1224044027.db2.gz XSRNFJUGYVNDJE-ZACQAIPSSA-N 1 3 363.506 0.717 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216829461 1224076033 /nfs/dbraw/zinc/07/60/33/1224076033.db2.gz XRLHWTPJIZWRBU-GPMSIDNRSA-N 1 3 370.497 0.936 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003366916 1252876843 /nfs/dbraw/zinc/87/68/43/1252876843.db2.gz YYICQZJBIJGJTO-MANSERQUSA-N 1 3 372.513 0.531 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001003366916 1252876855 /nfs/dbraw/zinc/87/68/55/1252876855.db2.gz YYICQZJBIJGJTO-MANSERQUSA-N 1 3 372.513 0.531 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@@H](C)O)C2)CC1 ZINC001099345448 844035985 /nfs/dbraw/zinc/03/59/85/844035985.db2.gz AOABKCQVLFARJG-BPLDGKMQSA-N 1 3 361.408 0.691 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103395567 844750929 /nfs/dbraw/zinc/75/09/29/844750929.db2.gz AKTYPNSABOPBMC-NVXWUHKLSA-N 1 3 350.507 0.705 20 30 FCEDHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)N(C)C ZINC001104639891 844927832 /nfs/dbraw/zinc/92/78/32/844927832.db2.gz ZKFJAVVUMQXTAK-BFYDXBDKSA-N 1 3 351.495 0.287 20 30 FCEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@H]1C ZINC001104641392 844928633 /nfs/dbraw/zinc/92/86/33/844928633.db2.gz PUODUDAPJFBRGS-JFIYKMOQSA-N 1 3 350.507 0.396 20 30 FCEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001129878988 848906882 /nfs/dbraw/zinc/90/68/82/848906882.db2.gz MSTGLZGJTWYFQN-OAGGEKHMSA-N 1 3 350.442 0.323 20 30 FCEDHO C=CCOC[C@@H](O)C[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001277777526 862070375 /nfs/dbraw/zinc/07/03/75/862070375.db2.gz WWJNSFBLVZDBLW-KRWDZBQOSA-N 1 3 353.507 0.816 20 30 FCEDHO C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213329075 854577812 /nfs/dbraw/zinc/57/78/12/854577812.db2.gz PMPDZXWGYPWESW-ZACQAIPSSA-N 1 3 355.479 0.114 20 30 FCEDHO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213329075 854577819 /nfs/dbraw/zinc/57/78/19/854577819.db2.gz PMPDZXWGYPWESW-ZACQAIPSSA-N 1 3 355.479 0.114 20 30 FCEDHO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213329075 854577824 /nfs/dbraw/zinc/57/78/24/854577824.db2.gz PMPDZXWGYPWESW-ZACQAIPSSA-N 1 3 355.479 0.114 20 30 FCEDHO C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215782195 855145576 /nfs/dbraw/zinc/14/55/76/855145576.db2.gz XOFIJAJSDUMYPJ-HLLBOEOZSA-N 1 3 350.507 0.846 20 30 FCEDHO CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)C(C)C ZINC001215978202 855161986 /nfs/dbraw/zinc/16/19/86/855161986.db2.gz YVZYYCIKMNJORV-INMHGKMJSA-N 1 3 351.495 0.429 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(C)C ZINC000419567960 246206009 /nfs/dbraw/zinc/20/60/09/246206009.db2.gz JUWRXQHRRIPZHV-RCCFBDPRSA-N 1 3 362.518 0.869 20 30 FCEDHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000423070464 490534595 /nfs/dbraw/zinc/53/45/95/490534595.db2.gz CRJMGXHIMWENGK-GOSISDBHSA-N 1 3 371.485 0.659 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CCC[NH+](C)C ZINC000562690078 491180946 /nfs/dbraw/zinc/18/09/46/491180946.db2.gz FYHSJSRBNIIMAZ-UHFFFAOYSA-N 1 3 373.501 0.859 20 30 FCEDHO C[NH+]=C(NCCCN1CCc2ccccc2C1)NCCN1CCOCC1 ZINC000264990626 526355059 /nfs/dbraw/zinc/35/50/59/526355059.db2.gz PVPBSWBGWWIWEV-UHFFFAOYSA-N 1 3 359.518 0.932 20 30 FCEDHO C[NH+]=C(NCCN1CCCN(C)CC1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261950188 526357162 /nfs/dbraw/zinc/35/71/62/526357162.db2.gz HDMCUTITTTUIHS-QGZVFWFLSA-N 1 3 360.506 0.748 20 30 FCEDHO C[NH+]=C(NCCS(=O)(=O)NC(C)C)N1CC[C@H](N2CCCCC2)C1 ZINC000262502781 526362093 /nfs/dbraw/zinc/36/20/93/526362093.db2.gz YYZMCRQIUCKMIR-HNNXBMFYSA-N 1 3 359.540 0.450 20 30 FCEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000264248748 527631861 /nfs/dbraw/zinc/63/18/61/527631861.db2.gz XHMRKVUVSKMVBI-INIZCTEOSA-N 1 3 350.507 0.965 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(N2CCOCC2)CCSC1 ZINC000104178628 529073303 /nfs/dbraw/zinc/07/33/03/529073303.db2.gz KGTMVRZBDVUDKN-NVXWUHKLSA-N 1 3 355.552 0.583 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)NCc1ccccc1 ZINC000264133518 529100510 /nfs/dbraw/zinc/10/05/10/529100510.db2.gz YWLVIXSPDOVLMG-INIZCTEOSA-N 1 3 367.519 0.495 20 30 FCEDHO CCN1CCN(CCNC(=[NH2+])NCCc2ccc(OC)c(OC)c2)CC1 ZINC000264063351 529140161 /nfs/dbraw/zinc/14/01/61/529140161.db2.gz AASYKPPZRRRHGI-UHFFFAOYSA-N 1 3 363.506 0.788 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419886546 535860465 /nfs/dbraw/zinc/86/04/65/535860465.db2.gz DDPRGZLSRMZKKC-MSOLQXFVSA-N 1 3 371.485 0.835 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000553668998 547299141 /nfs/dbraw/zinc/29/91/41/547299141.db2.gz DYHDUVTTXMLXFZ-UHFFFAOYSA-N 1 3 350.507 0.991 20 30 FCEDHO C#CCN(C)CCCNC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000836470806 670050529 /nfs/dbraw/zinc/05/05/29/670050529.db2.gz FIPBIXAFDNIJPT-UHFFFAOYSA-N 1 3 351.495 0.233 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000884642544 673469249 /nfs/dbraw/zinc/46/92/49/673469249.db2.gz LRIWZUJASIKBRN-YPMHNXCESA-N 1 3 362.396 0.349 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000884642537 673469273 /nfs/dbraw/zinc/46/92/73/673469273.db2.gz LOEYTECVPDXRQR-IBGZPJMESA-N 1 3 350.507 0.977 20 30 FCEDHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104683609 1182366720 /nfs/dbraw/zinc/36/67/20/1182366720.db2.gz NKDPLJCWCOXMKP-HZPDHXFCSA-N 1 3 363.506 0.432 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000552930832 1193959086 /nfs/dbraw/zinc/95/90/86/1193959086.db2.gz RPOUNHMNSBITOB-UHFFFAOYSA-N 1 3 366.506 0.370 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001076604431 1194592566 /nfs/dbraw/zinc/59/25/66/1194592566.db2.gz FHKCSDYEQXQPDN-RCCFBDPRSA-N 1 3 358.486 0.143 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001076604431 1194592568 /nfs/dbraw/zinc/59/25/68/1194592568.db2.gz FHKCSDYEQXQPDN-RCCFBDPRSA-N 1 3 358.486 0.143 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](CCn4cccn4)C[C@H]32)CC1 ZINC001076605473 1194593663 /nfs/dbraw/zinc/59/36/63/1194593663.db2.gz BSTHPWXPQNAPTN-RBUKOAKNSA-N 1 3 355.486 0.761 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)CC1 ZINC001076605473 1194593666 /nfs/dbraw/zinc/59/36/66/1194593666.db2.gz BSTHPWXPQNAPTN-RBUKOAKNSA-N 1 3 355.486 0.761 20 30 FCEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538904 1200370852 /nfs/dbraw/zinc/37/08/52/1200370852.db2.gz YRUQKPTWTYOOTM-OWEAFNKSSA-N 1 3 361.486 0.774 20 30 FCEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538904 1200370860 /nfs/dbraw/zinc/37/08/60/1200370860.db2.gz YRUQKPTWTYOOTM-OWEAFNKSSA-N 1 3 361.486 0.774 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCn2ccnc2)n[nH]1 ZINC001130224935 1201554305 /nfs/dbraw/zinc/55/43/05/1201554305.db2.gz JPBXWIJXUQDJPO-KBPBESRZSA-N 1 3 359.434 0.356 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1c1cncn1C ZINC001130943757 1202826957 /nfs/dbraw/zinc/82/69/57/1202826957.db2.gz HWHNCPBHVJJCSU-BRWVUGGUSA-N 1 3 361.490 0.601 20 30 FCEDHO CC[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1)N(C)C ZINC001131519656 1202909068 /nfs/dbraw/zinc/90/90/68/1202909068.db2.gz UFMFWVJNKWQFSC-QRVBRYPASA-N 1 3 365.518 0.962 20 30 FCEDHO COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001131609019 1202920767 /nfs/dbraw/zinc/92/07/67/1202920767.db2.gz VRDHYWZXTFBFRR-QUCCMNQESA-N 1 3 365.518 0.962 20 30 FCEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126147 1203015775 /nfs/dbraw/zinc/01/57/75/1203015775.db2.gz AZEGNEZUSVHFRI-NXHRZFHOSA-N 1 3 356.470 0.176 20 30 FCEDHO C#CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126147 1203015776 /nfs/dbraw/zinc/01/57/76/1203015776.db2.gz AZEGNEZUSVHFRI-NXHRZFHOSA-N 1 3 356.470 0.176 20 30 FCEDHO C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CCN(CC#C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093480912 1206090220 /nfs/dbraw/zinc/09/02/20/1206090220.db2.gz QISZTNAWMHINEF-NXLVEIQXSA-N 1 3 371.525 0.931 20 30 FCEDHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(CC)CCC#N)C2)CC[N@@H+]1C ZINC001182692096 1206442316 /nfs/dbraw/zinc/44/23/16/1206442316.db2.gz BTZOXGHASPSSJI-IXDOHACOSA-N 1 3 363.506 0.669 20 30 FCEDHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(CC)CCC#N)C2)CC[N@H+]1C ZINC001182692096 1206442319 /nfs/dbraw/zinc/44/23/19/1206442319.db2.gz BTZOXGHASPSSJI-IXDOHACOSA-N 1 3 363.506 0.669 20 30 FCEDHO C#CCOc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1 ZINC000130569855 1210644942 /nfs/dbraw/zinc/64/49/42/1210644942.db2.gz ANVWIIGLBUVHCE-UHFFFAOYSA-N 1 3 360.458 0.589 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C)CC1 ZINC000949185326 1212316633 /nfs/dbraw/zinc/31/66/33/1212316633.db2.gz ZISLHRAKAGIAFU-KBAYOESNSA-N 1 3 360.502 0.246 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)CC1 ZINC000949185326 1212316642 /nfs/dbraw/zinc/31/66/42/1212316642.db2.gz ZISLHRAKAGIAFU-KBAYOESNSA-N 1 3 360.502 0.246 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804057879 1219110305 /nfs/dbraw/zinc/11/03/05/1219110305.db2.gz CEBOFANYWNMPKC-IAGOWNOFSA-N 1 3 364.490 0.123 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001228138124 1225896946 /nfs/dbraw/zinc/89/69/46/1225896946.db2.gz OQXGRZSWWVPKNX-RCCFBDPRSA-N 1 3 362.518 0.875 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001228138124 1225896948 /nfs/dbraw/zinc/89/69/48/1225896948.db2.gz OQXGRZSWWVPKNX-RCCFBDPRSA-N 1 3 362.518 0.875 20 30 FCEDHO COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171208 1220532644 /nfs/dbraw/zinc/53/26/44/1220532644.db2.gz LXMIAZIKHLOJGF-QUJXQBBWSA-N 1 3 361.486 0.184 20 30 FCEDHO COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171208 1220532654 /nfs/dbraw/zinc/53/26/54/1220532654.db2.gz LXMIAZIKHLOJGF-QUJXQBBWSA-N 1 3 361.486 0.184 20 30 FCEDHO COCC#CCN1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001102454430 1220629686 /nfs/dbraw/zinc/62/96/86/1220629686.db2.gz DSMOKTIJOVRNJH-IAGOWNOFSA-N 1 3 361.490 0.392 20 30 FCEDHO C#CCOc1ccccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000784388636 1221241945 /nfs/dbraw/zinc/24/19/45/1221241945.db2.gz KBIJTTGHNTVWMN-UHFFFAOYSA-N 1 3 360.458 0.589 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C2 ZINC001112413404 1221254823 /nfs/dbraw/zinc/25/48/23/1221254823.db2.gz MQEJYVPYSNBFCR-QRFRQXIXSA-N 1 3 362.518 0.540 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214661965 1223930047 /nfs/dbraw/zinc/93/00/47/1223930047.db2.gz MSVYFNJCAQRCGL-QBPKDAKJSA-N 1 3 363.506 0.525 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214661965 1223930049 /nfs/dbraw/zinc/93/00/49/1223930049.db2.gz MSVYFNJCAQRCGL-QBPKDAKJSA-N 1 3 363.506 0.525 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453530 1224000114 /nfs/dbraw/zinc/00/01/14/1224000114.db2.gz GVIIMEDGDCKXSH-NVXWUHKLSA-N 1 3 363.506 0.527 20 30 FCEDHO C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216099602 1224034285 /nfs/dbraw/zinc/03/42/85/1224034285.db2.gz VISMWOQPEPUPTB-BFYDXBDKSA-N 1 3 366.506 0.224 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCCC)C2)CC1 ZINC001216843064 1224078167 /nfs/dbraw/zinc/07/81/67/1224078167.db2.gz UEHVPRGMZBGWOB-JFIYKMOQSA-N 1 3 362.518 0.683 20 30 FCEDHO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001215535962 1259535007 /nfs/dbraw/zinc/53/50/07/1259535007.db2.gz APFKADIQBUROLR-BRWVUGGUSA-N 1 3 363.506 0.669 20 30 FCEDHO CCC(CC)[C@@H](N[C@H]1CCN[C@H](C#N)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246410331 1259652019 /nfs/dbraw/zinc/65/20/19/1259652019.db2.gz IOEZSVJCZHAEBA-PDQWNOJRSA-N 1 3 366.506 0.522 20 30 FCEDHO C#CCOC[C@H](O)C[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001251881652 1259769252 /nfs/dbraw/zinc/76/92/52/1259769252.db2.gz YTRRHJMAMOREHB-RTBURBONSA-N 1 3 373.497 0.402 20 30 FCEDHO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]Cc3cnn[n-]3)C2)CC1 ZINC001574967148 1271685655 /nfs/dbraw/zinc/68/56/55/1271685655.db2.gz MYSCCWSWTSBFHU-WBVHZDCISA-N 1 3 358.490 0.724 20 30 FCEDHO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC(N3CCC[C@@H]3C(N)=O)CC1)C2 ZINC001580041641 1277997469 /nfs/dbraw/zinc/99/74/69/1277997469.db2.gz FYLCEZYZVZGOPH-RGUMBQAQSA-N 1 3 359.474 0.066 20 30 FCEDHO C#CCNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001692083819 1289390052 /nfs/dbraw/zinc/39/00/52/1289390052.db2.gz IEZMBXHPSHRPFB-RYRKJORJSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC001099345449 844036079 /nfs/dbraw/zinc/03/60/79/844036079.db2.gz AOABKCQVLFARJG-NWANDNLSSA-N 1 3 361.408 0.691 20 30 FCEDHO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051996 844397210 /nfs/dbraw/zinc/39/72/10/844397210.db2.gz XUXCYSVJLCPMOS-BZUAXINKSA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051996 844397222 /nfs/dbraw/zinc/39/72/22/844397222.db2.gz XUXCYSVJLCPMOS-BZUAXINKSA-N 1 3 350.507 0.846 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407875 844751822 /nfs/dbraw/zinc/75/18/22/844751822.db2.gz YNNINUYVQPUFAH-JFIYKMOQSA-N 1 3 350.507 0.396 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214855843 855022936 /nfs/dbraw/zinc/02/29/36/855022936.db2.gz PGUATALZNLTYDY-BRWVUGGUSA-N 1 3 350.507 0.988 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214855843 855022939 /nfs/dbraw/zinc/02/29/39/855022939.db2.gz PGUATALZNLTYDY-BRWVUGGUSA-N 1 3 350.507 0.988 20 30 FCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215557955 855128322 /nfs/dbraw/zinc/12/83/22/855128322.db2.gz GKKWSQXTQCPNPP-OWCLPIDISA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216841085 855255170 /nfs/dbraw/zinc/25/51/70/855255170.db2.gz PBJDGKQYKNPBCY-BRWVUGGUSA-N 1 3 350.507 0.990 20 30 FCEDHO N#Cc1c(NC(=O)[C@H]2CNC(=O)C23CC[NH2+]CC3)sc2c1CCNC2 ZINC001218553287 855438356 /nfs/dbraw/zinc/43/83/56/855438356.db2.gz OWIVZEKJDSBAET-GFCCVEGCSA-N 1 3 359.455 0.320 20 30 FCEDHO CC[NH+](CC)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000283767781 213006922 /nfs/dbraw/zinc/00/69/22/213006922.db2.gz QYTFUPFKQQJCBD-UHFFFAOYSA-N 1 3 373.501 0.906 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)C(C)C ZINC000419571601 246206419 /nfs/dbraw/zinc/20/64/19/246206419.db2.gz OZXSGCMZCCDLFX-BRWVUGGUSA-N 1 3 350.507 0.997 20 30 FCEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C(C)C ZINC000419568542 246206526 /nfs/dbraw/zinc/20/65/26/246206526.db2.gz KVQBENNLQCXAQG-IRXDYDNUSA-N 1 3 366.506 0.377 20 30 FCEDHO CN(C)C(=O)CNC(=[NH+]C1CCOCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000262330834 229301921 /nfs/dbraw/zinc/30/19/21/229301921.db2.gz UZISHNNUVGXDMV-KRWDZBQOSA-N 1 3 365.522 0.759 20 30 FCEDHO CN(C)CCOc1cccc(CNC(=[NH2+])NCCCN2CCOCC2)c1 ZINC000264084458 229321306 /nfs/dbraw/zinc/32/13/06/229321306.db2.gz JMENZWJRJWDRQR-UHFFFAOYSA-N 1 3 363.506 0.754 20 30 FCEDHO CC(C)N1CCN(CCCN(CCC#N)CCN2CCOCC2)CC1 ZINC000191525833 488420000 /nfs/dbraw/zinc/42/00/00/488420000.db2.gz RSWLSRLUNJUCNQ-UHFFFAOYSA-N 1 3 351.539 0.950 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)cc1C ZINC000278076759 488799184 /nfs/dbraw/zinc/79/91/84/488799184.db2.gz WQMNSZRKAYLTPP-AWEZNQCLSA-N 1 3 353.492 0.531 20 30 FCEDHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330205342 489080089 /nfs/dbraw/zinc/08/00/89/489080089.db2.gz DJPNHLMGJXIIKJ-DDBAPUKQSA-N 1 3 368.522 0.665 20 30 FCEDHO CC[NH+]1CCC(N2CCC(C(=O)N(CC#N)CC(=O)OC)CC2)CC1 ZINC000563383949 491240782 /nfs/dbraw/zinc/24/07/82/491240782.db2.gz NLLWCTDGJKYQRL-UHFFFAOYSA-N 1 3 350.463 0.708 20 30 FCEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)C ZINC000521905603 490310006 /nfs/dbraw/zinc/31/00/06/490310006.db2.gz YNXWDTXBIFBTCY-IXDOHACOSA-N 1 3 363.506 0.638 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423077346 490536603 /nfs/dbraw/zinc/53/66/03/490536603.db2.gz TUQIIEWAFPFSAN-UHFFFAOYSA-N 1 3 373.501 0.892 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000519550529 490975759 /nfs/dbraw/zinc/97/57/59/490975759.db2.gz RJERTANMERSUON-KRWDZBQOSA-N 1 3 362.518 0.943 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000519550529 490975761 /nfs/dbraw/zinc/97/57/61/490975761.db2.gz RJERTANMERSUON-KRWDZBQOSA-N 1 3 362.518 0.943 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000567600040 491516913 /nfs/dbraw/zinc/51/69/13/491516913.db2.gz FAIPPVUBCRTRKG-INIZCTEOSA-N 1 3 350.507 0.943 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000567600040 491516914 /nfs/dbraw/zinc/51/69/14/491516914.db2.gz FAIPPVUBCRTRKG-INIZCTEOSA-N 1 3 350.507 0.943 20 30 FCEDHO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000591728056 491822664 /nfs/dbraw/zinc/82/26/64/491822664.db2.gz JAUCAYDUOJHGMW-FQEVSTJZSA-N 1 3 359.518 0.730 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000595278137 491911777 /nfs/dbraw/zinc/91/17/77/491911777.db2.gz KLXSKEPYYJRVPO-UHFFFAOYSA-N 1 3 371.485 0.836 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013722 493724977 /nfs/dbraw/zinc/72/49/77/493724977.db2.gz GEYCFQBUBTVDEI-OAHLLOKOSA-N 1 3 350.507 0.990 20 30 FCEDHO C[NH+]=C(NCCNc1ccncc1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261703174 526362451 /nfs/dbraw/zinc/36/24/51/526362451.db2.gz GJGNIQJEKBFPNH-SFHVURJKSA-N 1 3 373.461 0.379 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000264077688 529071364 /nfs/dbraw/zinc/07/13/64/529071364.db2.gz HSLRWRQPVWLWLD-OAHLLOKOSA-N 1 3 367.519 0.662 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1S(=O)(=O)N(C)C ZINC000303785708 674571316 /nfs/dbraw/zinc/57/13/16/674571316.db2.gz QPKBZJDLOKNWNI-OAHLLOKOSA-N 1 3 367.519 0.826 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1ccccc1 ZINC000303775774 674571357 /nfs/dbraw/zinc/57/13/57/674571357.db2.gz HBOVLLZIUVBQLZ-AWEZNQCLSA-N 1 3 353.492 0.354 20 30 FCEDHO C=C(C)CN1CCC(NC(NCC2(O)CCOCC2)=[NH+]CCOC)CC1 ZINC000086509232 1180852568 /nfs/dbraw/zinc/85/25/68/1180852568.db2.gz HEDVHOBSLMKRLM-UHFFFAOYSA-N 1 3 368.522 0.750 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCc4cnn(C)c4)C[C@H]32)CC1 ZINC001076604618 1194593364 /nfs/dbraw/zinc/59/33/64/1194593364.db2.gz OJDOUMXRGMSOLS-VQTJNVASSA-N 1 3 369.513 0.841 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](CCc4cnn(C)c4)C[C@H]32)CC1 ZINC001076604618 1194593367 /nfs/dbraw/zinc/59/33/67/1194593367.db2.gz OJDOUMXRGMSOLS-VQTJNVASSA-N 1 3 369.513 0.841 20 30 FCEDHO CC[C@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1)N(C)C ZINC001106308900 1197861188 /nfs/dbraw/zinc/86/11/88/1197861188.db2.gz GRXKSMDNFZSNJK-BRWVUGGUSA-N 1 3 365.522 0.773 20 30 FCEDHO N#Cc1ccc([C@H](N)CC(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)cc1 ZINC001219838642 1224646913 /nfs/dbraw/zinc/64/69/13/1224646913.db2.gz SMNWWZKBRMVIKT-SZVBFZGTSA-N 1 3 358.442 0.459 20 30 FCEDHO C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129855991 1201405830 /nfs/dbraw/zinc/40/58/30/1201405830.db2.gz UINFXKOKAVJKGW-VQHPVUNQSA-N 1 3 362.478 0.162 20 30 FCEDHO C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129855991 1201405832 /nfs/dbraw/zinc/40/58/32/1201405832.db2.gz UINFXKOKAVJKGW-VQHPVUNQSA-N 1 3 362.478 0.162 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2([NH+](C)C)CCC2)[n-]1 ZINC001130216306 1201547156 /nfs/dbraw/zinc/54/71/56/1201547156.db2.gz SJWNGLNMJGILMT-KBPBESRZSA-N 1 3 362.478 0.553 20 30 FCEDHO CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC[NH+](C)C)n[n-]2)O1 ZINC001130804898 1202800780 /nfs/dbraw/zinc/80/07/80/1202800780.db2.gz RSCQHMUVWJYFOB-LSDHHAIUSA-N 1 3 362.478 0.596 20 30 FCEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cncn1C ZINC001130994178 1202838569 /nfs/dbraw/zinc/83/85/69/1202838569.db2.gz LKEMSCFKXDBYNT-KZNAEPCWSA-N 1 3 355.486 0.669 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC001086882118 1204856586 /nfs/dbraw/zinc/85/65/86/1204856586.db2.gz APZPCIZVHIVFRQ-JQHSSLGASA-N 1 3 360.502 0.437 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001086882117 1204856652 /nfs/dbraw/zinc/85/66/52/1204856652.db2.gz APZPCIZVHIVFRQ-CGTJXYLNSA-N 1 3 360.502 0.437 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cnn(C)c1 ZINC001086981878 1204886624 /nfs/dbraw/zinc/88/66/24/1204886624.db2.gz HWXJWLAQDSCDTB-NZSAHSFTSA-N 1 3 357.502 0.915 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cnn(C)c1 ZINC001086981878 1204886625 /nfs/dbraw/zinc/88/66/25/1204886625.db2.gz HWXJWLAQDSCDTB-NZSAHSFTSA-N 1 3 357.502 0.915 20 30 FCEDHO CC#CCN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cnn(C)c1 ZINC001691700886 1208417226 /nfs/dbraw/zinc/41/72/26/1208417226.db2.gz JUBKSNGLPJCECF-IPMKNSEASA-N 1 3 355.486 0.669 20 30 FCEDHO N#Cc1ccccc1C(=O)N1CCC(NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001220915124 1225138355 /nfs/dbraw/zinc/13/83/55/1225138355.db2.gz NTFPXSKVLRSOGM-KRWDZBQOSA-N 1 3 367.453 0.088 20 30 FCEDHO N#Cc1cccc(C[C@H](N)C(=O)N2CCC(C3=CC=C(N)C[NH2+]3)CC2)c1 ZINC001221391800 1225305614 /nfs/dbraw/zinc/30/56/14/1225305614.db2.gz PDSQRHPBTLPCNP-SFHVURJKSA-N 1 3 351.454 0.996 20 30 FCEDHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001226766284 1225854259 /nfs/dbraw/zinc/85/42/59/1225854259.db2.gz KXXYVFSWNVYYEK-BRWVUGGUSA-N 1 3 363.506 0.906 20 30 FCEDHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001226766284 1225854262 /nfs/dbraw/zinc/85/42/62/1225854262.db2.gz KXXYVFSWNVYYEK-BRWVUGGUSA-N 1 3 363.506 0.906 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1cncn1C ZINC001070659638 1219512369 /nfs/dbraw/zinc/51/23/69/1219512369.db2.gz VKLPMTMTFXZHHA-IAGOWNOFSA-N 1 3 355.486 0.813 20 30 FCEDHO C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+](C)C ZINC001228254844 1225905200 /nfs/dbraw/zinc/90/52/00/1225905200.db2.gz KUABHGZULBPEAZ-HUUCEWRRSA-N 1 3 367.494 0.357 20 30 FCEDHO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N)N1CCCCCC1 ZINC001228925444 1225962903 /nfs/dbraw/zinc/96/29/03/1225962903.db2.gz WKUOITRHRLWCFE-BRWVUGGUSA-N 1 3 363.506 0.908 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCOCCOC)C[C@H]2C)CC1 ZINC001102596694 1220717587 /nfs/dbraw/zinc/71/75/87/1220717587.db2.gz UEJAUWDMPYOVRX-IEBWSBKVSA-N 1 3 365.518 0.679 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2C)CC1 ZINC001102596694 1220717596 /nfs/dbraw/zinc/71/75/96/1220717596.db2.gz UEJAUWDMPYOVRX-IEBWSBKVSA-N 1 3 365.518 0.679 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001103751909 1220964440 /nfs/dbraw/zinc/96/44/40/1220964440.db2.gz YLIPCNBGDCESPH-KBAYOESNSA-N 1 3 360.502 0.294 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001103751909 1220964443 /nfs/dbraw/zinc/96/44/43/1220964443.db2.gz YLIPCNBGDCESPH-KBAYOESNSA-N 1 3 360.502 0.294 20 30 FCEDHO C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1NCC(=O)NCC#N ZINC001215929178 1224024730 /nfs/dbraw/zinc/02/47/30/1224024730.db2.gz AGDZMLSCDABAOV-RHSMWYFYSA-N 1 3 357.458 0.438 20 30 FCEDHO C[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1NCC(=O)NCC#N ZINC001216326483 1224044570 /nfs/dbraw/zinc/04/45/70/1224044570.db2.gz FSKQLRBTWOPUTH-RHSMWYFYSA-N 1 3 361.490 0.185 20 30 FCEDHO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216829208 1224076160 /nfs/dbraw/zinc/07/61/60/1224076160.db2.gz SACMGGZNNBVKMY-CRAIPNDOSA-N 1 3 356.470 0.548 20 30 FCEDHO C#CCN1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]3COC[C@@H]32)CC1 ZINC001079241774 1255483477 /nfs/dbraw/zinc/48/34/77/1255483477.db2.gz BDMORHOYATVDMW-GBESFXJTSA-N 1 3 357.498 0.901 20 30 FCEDHO C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001082783851 1257048149 /nfs/dbraw/zinc/04/81/49/1257048149.db2.gz TWKXKEUKUZPHQG-KBAYOESNSA-N 1 3 362.518 0.942 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@@H]2O)CC1 ZINC001084090170 1257915214 /nfs/dbraw/zinc/91/52/14/1257915214.db2.gz NJOZYGUSAHIXQU-OIISXLGYSA-N 1 3 369.456 0.928 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@@H]2O)CC1 ZINC001084090170 1257915219 /nfs/dbraw/zinc/91/52/19/1257915219.db2.gz NJOZYGUSAHIXQU-OIISXLGYSA-N 1 3 369.456 0.928 20 30 FCEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001578416950 1275785524 /nfs/dbraw/zinc/78/55/24/1275785524.db2.gz HNDCDEGGKXENGY-LJQANCHMSA-N 1 3 355.442 0.957 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001688876411 1294542857 /nfs/dbraw/zinc/54/28/57/1294542857.db2.gz ULWOPKRRCKEKMU-LZLYRXPVSA-N 1 3 362.518 0.540 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001688876411 1294542865 /nfs/dbraw/zinc/54/28/65/1294542865.db2.gz ULWOPKRRCKEKMU-LZLYRXPVSA-N 1 3 362.518 0.540 20 30 FCEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128981 838753320 /nfs/dbraw/zinc/75/33/20/838753320.db2.gz NNHSKUFQUNHLPN-FGTMMUONSA-N 1 3 351.491 0.757 20 30 FCEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128981 838753325 /nfs/dbraw/zinc/75/33/25/838753325.db2.gz NNHSKUFQUNHLPN-FGTMMUONSA-N 1 3 351.491 0.757 20 30 FCEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C2)C1=O ZINC001102524932 844553948 /nfs/dbraw/zinc/55/39/48/844553948.db2.gz DOJMDLPXDCPBQZ-BRWVUGGUSA-N 1 3 350.507 0.799 20 30 FCEDHO C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)CN(C)CCC)[C@H](C)C2)C1=O ZINC001102524932 844553950 /nfs/dbraw/zinc/55/39/50/844553950.db2.gz DOJMDLPXDCPBQZ-BRWVUGGUSA-N 1 3 350.507 0.799 20 30 FCEDHO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103665648 844797244 /nfs/dbraw/zinc/79/72/44/844797244.db2.gz NZSUJVHRNJVVMF-IXDOHACOSA-N 1 3 350.507 0.540 20 30 FCEDHO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103665648 844797252 /nfs/dbraw/zinc/79/72/52/844797252.db2.gz NZSUJVHRNJVVMF-IXDOHACOSA-N 1 3 350.507 0.540 20 30 FCEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104287847 844890046 /nfs/dbraw/zinc/89/00/46/844890046.db2.gz MWOKJKYJCHQSAW-HZPDHXFCSA-N 1 3 350.507 0.847 20 30 FCEDHO CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)C1 ZINC001158032161 850015138 /nfs/dbraw/zinc/01/51/38/850015138.db2.gz RBMMPFUZHFYFQT-VYDXJSESSA-N 1 3 373.519 0.466 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215568075 855128750 /nfs/dbraw/zinc/12/87/50/855128750.db2.gz KXRQCGHCVXDOQB-BZUAXINKSA-N 1 3 350.507 0.539 20 30 FCEDHO C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216835784 855253848 /nfs/dbraw/zinc/25/38/48/855253848.db2.gz GXKUOBPISDRTDK-BRWVUGGUSA-N 1 3 350.507 0.990 20 30 FCEDHO C=CCOC(=O)N1CCC(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001221298642 856540865 /nfs/dbraw/zinc/54/08/65/856540865.db2.gz WOMRZLDHYPOXOU-CRAIPNDOSA-N 1 3 350.463 0.336 20 30 FCEDHO CN1CC[C@](O)(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000262348720 529809242 /nfs/dbraw/zinc/80/92/42/529809242.db2.gz YLVUZHKIVULNNH-KRWDZBQOSA-N 1 3 351.882 0.843 20 30 FCEDHO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000130589252 488638798 /nfs/dbraw/zinc/63/87/98/488638798.db2.gz HRZMCLJQVIESKH-UHFFFAOYSA-N 1 3 363.466 0.226 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000276601276 488785472 /nfs/dbraw/zinc/78/54/72/488785472.db2.gz IDEHLCJHAQTQIF-OAHLLOKOSA-N 1 3 368.503 0.341 20 30 FCEDHO CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000330221361 489081124 /nfs/dbraw/zinc/08/11/24/489081124.db2.gz LOJFFWLTJMITDR-ZACQAIPSSA-N 1 3 354.495 0.541 20 30 FCEDHO CN1CCN(CCNC(=O)N2CCC([N@H+](C)CCO)CC2)CC1(C)C ZINC000331263691 489190925 /nfs/dbraw/zinc/19/09/25/489190925.db2.gz GALCFTVDMJDFKG-UHFFFAOYSA-N 1 3 355.527 0.315 20 30 FCEDHO CN1CCN(CCNC(=O)N2CCC([N@@H+](C)CCO)CC2)CC1(C)C ZINC000331263691 489190928 /nfs/dbraw/zinc/19/09/28/489190928.db2.gz GALCFTVDMJDFKG-UHFFFAOYSA-N 1 3 355.527 0.315 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000580850892 491749097 /nfs/dbraw/zinc/74/90/97/491749097.db2.gz UIVYMORKHZAGCQ-INIZCTEOSA-N 1 3 366.506 0.370 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000580850892 491749099 /nfs/dbraw/zinc/74/90/99/491749099.db2.gz UIVYMORKHZAGCQ-INIZCTEOSA-N 1 3 366.506 0.370 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000642769903 492387523 /nfs/dbraw/zinc/38/75/23/492387523.db2.gz YNMQUHUYCLDCMJ-ZACQAIPSSA-N 1 3 366.506 0.376 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659703472 493263419 /nfs/dbraw/zinc/26/34/19/493263419.db2.gz CWBVKJPFGDICNZ-QGZVFWFLSA-N 1 3 362.518 0.991 20 30 FCEDHO CCN1CCCC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000681341411 493757629 /nfs/dbraw/zinc/75/76/29/493757629.db2.gz ZJZHBBAICSCCFY-ROUUACIJSA-N 1 3 362.518 0.971 20 30 FCEDHO CCN1CCCC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000681341411 493757631 /nfs/dbraw/zinc/75/76/31/493757631.db2.gz ZJZHBBAICSCCFY-ROUUACIJSA-N 1 3 362.518 0.971 20 30 FCEDHO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CC[C@H](CN2CCOCC2)C1 ZINC000262809209 526378103 /nfs/dbraw/zinc/37/81/03/526378103.db2.gz TUUPKWJPTKBKEA-SJLPKXTDSA-N 1 3 369.579 0.653 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCN(C)S(=O)(=O)c1cccs1 ZINC000151405097 529072384 /nfs/dbraw/zinc/07/23/84/529072384.db2.gz VDRFTTYGSQOJMV-CYBMUJFWSA-N 1 3 373.548 0.757 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1cccs1 ZINC000160475828 529100389 /nfs/dbraw/zinc/10/03/89/529100389.db2.gz KZWBFWDPAIPIJA-LBPRGKRZSA-N 1 3 359.521 0.415 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccc(S(=O)(=O)NC)c1 ZINC000264088885 529100613 /nfs/dbraw/zinc/10/06/13/529100613.db2.gz KIPUJTGITLRUFD-AWEZNQCLSA-N 1 3 353.492 0.483 20 30 FCEDHO C=CCc1ccc(OC[C@H](O)CN2CCC(O)(C[NH3+])CC2)c(OC)c1 ZINC000923383101 667829643 /nfs/dbraw/zinc/82/96/43/667829643.db2.gz WSQNPICZPNORLC-MRXNPFEDSA-N 1 3 350.459 0.949 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C)CC1 ZINC000988506001 1192237448 /nfs/dbraw/zinc/23/74/48/1192237448.db2.gz HRKDFWCLAXAXID-NXHRZFHOSA-N 1 3 360.502 0.389 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C)CC1 ZINC000988506001 1192237456 /nfs/dbraw/zinc/23/74/56/1192237456.db2.gz HRKDFWCLAXAXID-NXHRZFHOSA-N 1 3 360.502 0.389 20 30 FCEDHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104256783 1168815551 /nfs/dbraw/zinc/81/55/51/1168815551.db2.gz PYXIMQUXMJAODB-BZUAXINKSA-N 1 3 369.485 0.380 20 30 FCEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001083283565 1182496437 /nfs/dbraw/zinc/49/64/37/1182496437.db2.gz INFTWCNOPHEMQM-NZSAHSFTSA-N 1 3 361.486 0.280 20 30 FCEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@H]32)CC1 ZINC001083283565 1182496446 /nfs/dbraw/zinc/49/64/46/1182496446.db2.gz INFTWCNOPHEMQM-NZSAHSFTSA-N 1 3 361.486 0.280 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536232 1188354533 /nfs/dbraw/zinc/35/45/33/1188354533.db2.gz YITBDTGFDYYJSI-VCBZYWHSSA-N 1 3 357.458 0.308 20 30 FCEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1=O ZINC001075887616 1191136262 /nfs/dbraw/zinc/13/62/62/1191136262.db2.gz XLNRNNAEGDVJFP-CGTJXYLNSA-N 1 3 360.502 0.790 20 30 FCEDHO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1=O ZINC001075887616 1191136264 /nfs/dbraw/zinc/13/62/64/1191136264.db2.gz XLNRNNAEGDVJFP-CGTJXYLNSA-N 1 3 360.502 0.790 20 30 FCEDHO Cc1[nH]c(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])c(C#N)c1C ZINC001218556661 1224172580 /nfs/dbraw/zinc/17/25/80/1224172580.db2.gz WVMCSNNJCQBRPV-GJZGRUSLSA-N 1 3 360.462 0.889 20 30 FCEDHO C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015129 1195144200 /nfs/dbraw/zinc/14/42/00/1195144200.db2.gz CSJYLFFTMWLREC-MKXGPGLRSA-N 1 3 365.518 0.861 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccn(C)c(=O)c3)[C@@H]2C)CC1 ZINC001089059923 1196879444 /nfs/dbraw/zinc/87/94/44/1196879444.db2.gz IZTQBPUXVLDCIS-APWZRJJASA-N 1 3 370.497 0.810 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)[C@@H]2C)CC1 ZINC001089059923 1196879446 /nfs/dbraw/zinc/87/94/46/1196879446.db2.gz IZTQBPUXVLDCIS-APWZRJJASA-N 1 3 370.497 0.810 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)CCC)C2 ZINC001112567719 1200801867 /nfs/dbraw/zinc/80/18/67/1200801867.db2.gz DXIOGUWTHJNIOJ-ZWOKBUDYSA-N 1 3 362.518 0.684 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001129894455 1201428782 /nfs/dbraw/zinc/42/87/82/1201428782.db2.gz GSVIFSXPQBQKGH-CVEARBPZSA-N 1 3 362.478 0.307 20 30 FCEDHO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+](CC)CC)[n-]1 ZINC001130244905 1201564566 /nfs/dbraw/zinc/56/45/66/1201564566.db2.gz QJKOKULOQJKQTL-GJZGRUSLSA-N 1 3 362.478 0.248 20 30 FCEDHO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001130293020 1201578779 /nfs/dbraw/zinc/57/87/79/1201578779.db2.gz HYIGLDAGYSMUSK-NZSAHSFTSA-N 1 3 362.518 0.988 20 30 FCEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cncn1C ZINC001130994179 1202838474 /nfs/dbraw/zinc/83/84/74/1202838474.db2.gz LKEMSCFKXDBYNT-RCCFBDPRSA-N 1 3 355.486 0.669 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2C)CC1 ZINC001093223598 1206062425 /nfs/dbraw/zinc/06/24/25/1206062425.db2.gz CDRLISRKLDZBLB-SOLBZPMBSA-N 1 3 362.518 0.492 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2C)CC1 ZINC001093223598 1206062428 /nfs/dbraw/zinc/06/24/28/1206062428.db2.gz CDRLISRKLDZBLB-SOLBZPMBSA-N 1 3 362.518 0.492 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC001093224445 1206063460 /nfs/dbraw/zinc/06/34/60/1206063460.db2.gz WLWBGIQULFOOQU-KBAYOESNSA-N 1 3 360.502 0.246 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC001093224445 1206063462 /nfs/dbraw/zinc/06/34/62/1206063462.db2.gz WLWBGIQULFOOQU-KBAYOESNSA-N 1 3 360.502 0.246 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]2C)CC1 ZINC001093224362 1206063553 /nfs/dbraw/zinc/06/35/53/1206063553.db2.gz SOEUZIFJRWZYQO-KBAYOESNSA-N 1 3 360.502 0.294 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2C)CC1 ZINC001093224362 1206063557 /nfs/dbraw/zinc/06/35/57/1206063557.db2.gz SOEUZIFJRWZYQO-KBAYOESNSA-N 1 3 360.502 0.294 20 30 FCEDHO C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CCN(CC#C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001093480911 1206090170 /nfs/dbraw/zinc/09/01/70/1206090170.db2.gz QISZTNAWMHINEF-JBPLPALLSA-N 1 3 371.525 0.931 20 30 FCEDHO C[C@H](C#N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001179900810 1206386302 /nfs/dbraw/zinc/38/63/02/1206386302.db2.gz DGXDOIFMLORYMP-IHFPKREYSA-N 1 3 370.494 0.442 20 30 FCEDHO C=CCN1CC[C@H](N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001188971609 1207493373 /nfs/dbraw/zinc/49/33/73/1207493373.db2.gz YAFJUVVRHGTPHF-YESZJQIVSA-N 1 3 360.502 0.648 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000884642965 1210770584 /nfs/dbraw/zinc/77/05/84/1210770584.db2.gz UFFCNUVOPICZGG-KRWDZBQOSA-N 1 3 358.486 0.829 20 30 FCEDHO C#CCN1CCC[C@@H](NC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000890367872 1210975077 /nfs/dbraw/zinc/97/50/77/1210975077.db2.gz WVUNHCASGHFJRO-MJGOQNOKSA-N 1 3 361.534 0.894 20 30 FCEDHO Cn1cc(CN2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cc1C#N ZINC001275456007 1211242689 /nfs/dbraw/zinc/24/26/89/1211242689.db2.gz SQZBHGUIPBHLMG-IBGZPJMESA-N 1 3 357.458 0.799 20 30 FCEDHO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001070378469 1219405430 /nfs/dbraw/zinc/40/54/30/1219405430.db2.gz RMQYPZWMFYIBKR-VPWXQRGCSA-N 1 3 362.518 0.990 20 30 FCEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478242 1220368439 /nfs/dbraw/zinc/36/84/39/1220368439.db2.gz FSOMHAFYHUYLMU-HLIPFELVSA-N 1 3 362.518 0.894 20 30 FCEDHO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478242 1220368443 /nfs/dbraw/zinc/36/84/43/1220368443.db2.gz FSOMHAFYHUYLMU-HLIPFELVSA-N 1 3 362.518 0.894 20 30 FCEDHO C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434128 1220623171 /nfs/dbraw/zinc/62/31/71/1220623171.db2.gz PSOFUPTVHPSDIH-JFIYKMOQSA-N 1 3 362.518 0.540 20 30 FCEDHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C ZINC001103060583 1220826383 /nfs/dbraw/zinc/82/63/83/1220826383.db2.gz UCLNOTCWQBRRCJ-ZACQAIPSSA-N 1 3 363.506 0.575 20 30 FCEDHO CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C ZINC001103060583 1220826387 /nfs/dbraw/zinc/82/63/87/1220826387.db2.gz UCLNOTCWQBRRCJ-ZACQAIPSSA-N 1 3 363.506 0.575 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](C[C@H](O)COC)C[C@H]2C)CC1 ZINC001103751684 1220964208 /nfs/dbraw/zinc/96/42/08/1220964208.db2.gz MDUDSYTXSBKECU-QRQLOZEOSA-N 1 3 365.518 0.413 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2C)CC1 ZINC001103751684 1220964214 /nfs/dbraw/zinc/96/42/14/1220964214.db2.gz MDUDSYTXSBKECU-QRQLOZEOSA-N 1 3 365.518 0.413 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)N(C)CC)C2 ZINC001112436726 1221259144 /nfs/dbraw/zinc/25/91/44/1221259144.db2.gz BWANVAAWTSAHPD-JXFKEZNVSA-N 1 3 362.518 0.684 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC001230252029 1226069103 /nfs/dbraw/zinc/06/91/03/1226069103.db2.gz XCOPZFCIDWKKSY-KBAYOESNSA-N 1 3 362.518 0.825 20 30 FCEDHO C=CCOC[C@H]1CCC[C@@]12CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CCO2 ZINC001160239592 1223152093 /nfs/dbraw/zinc/15/20/93/1223152093.db2.gz BAAWMOOGXXRWER-HNBVOPMISA-N 1 3 363.502 0.786 20 30 FCEDHO C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214948221 1223958716 /nfs/dbraw/zinc/95/87/16/1223958716.db2.gz LLDXWZNOFLEXST-BRWVUGGUSA-N 1 3 360.502 0.437 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215414305 1223998367 /nfs/dbraw/zinc/99/83/67/1223998367.db2.gz SKVCBVADLGADDB-HZPDHXFCSA-N 1 3 363.506 0.527 20 30 FCEDHO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215539959 1224005165 /nfs/dbraw/zinc/00/51/65/1224005165.db2.gz FICIRGBAMHCWEC-SPYBWZPUSA-N 1 3 368.497 0.938 20 30 FCEDHO CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216321232 1224044085 /nfs/dbraw/zinc/04/40/85/1224044085.db2.gz XSRNFJUGYVNDJE-BRWVUGGUSA-N 1 3 363.506 0.717 20 30 FCEDHO CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216321232 1224044088 /nfs/dbraw/zinc/04/40/88/1224044088.db2.gz XSRNFJUGYVNDJE-BRWVUGGUSA-N 1 3 363.506 0.717 20 30 FCEDHO CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001107038620 1259022925 /nfs/dbraw/zinc/02/29/25/1259022925.db2.gz AGARGEGMKBGHDF-IAGOWNOFSA-N 1 3 365.522 0.773 20 30 FCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC001323530665 1264448131 /nfs/dbraw/zinc/44/81/31/1264448131.db2.gz JQMITAMSRDSKHU-GOSISDBHSA-N 1 3 371.485 0.614 20 30 FCEDHO 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C=CCN1CC[C@@H](N2C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C2)C1=O ZINC001102496688 844530992 /nfs/dbraw/zinc/53/09/92/844530992.db2.gz GQEFBMQQCOGQEM-BRWVUGGUSA-N 1 3 350.507 0.799 20 30 FCEDHO C=CCN1CC[C@@H](N2C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C2)C1=O ZINC001102496688 844530994 /nfs/dbraw/zinc/53/09/94/844530994.db2.gz GQEFBMQQCOGQEM-BRWVUGGUSA-N 1 3 350.507 0.799 20 30 FCEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)C1=O ZINC001102600752 844592572 /nfs/dbraw/zinc/59/25/72/844592572.db2.gz TZGPLUZNAWGCFN-BRWVUGGUSA-N 1 3 350.507 0.798 20 30 FCEDHO C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)CN(C)C(C)C)[C@H](C)C2)C1=O ZINC001102600752 844592576 /nfs/dbraw/zinc/59/25/76/844592576.db2.gz TZGPLUZNAWGCFN-BRWVUGGUSA-N 1 3 350.507 0.798 20 30 FCEDHO C=CCCCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385318 848837288 /nfs/dbraw/zinc/83/72/88/848837288.db2.gz JTVPIUSXBKPDSP-CVEARBPZSA-N 1 3 350.467 0.164 20 30 FCEDHO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001129879199 848906967 /nfs/dbraw/zinc/90/69/67/848906967.db2.gz WXAIXCZRZFWTHJ-OAGGEKHMSA-N 1 3 352.458 0.876 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@@H]1n1ccnn1 ZINC001129910351 848914161 /nfs/dbraw/zinc/91/41/61/848914161.db2.gz PFRORESJHUHZBU-OAGGEKHMSA-N 1 3 350.467 0.162 20 30 FCEDHO C#CCOC[C@@H](O)C[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277713546 862025577 /nfs/dbraw/zinc/02/55/77/862025577.db2.gz VMNSSXZWPSUYTA-PKOBYXMFSA-N 1 3 351.491 0.263 20 30 FCEDHO C#CCOC[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277713546 862025597 /nfs/dbraw/zinc/02/55/97/862025597.db2.gz VMNSSXZWPSUYTA-PKOBYXMFSA-N 1 3 351.491 0.263 20 30 FCEDHO C=CCOC[C@H](O)C[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277775314 862066317 /nfs/dbraw/zinc/06/63/17/862066317.db2.gz MUKPULLYCXBSMF-MJGOQNOKSA-N 1 3 353.507 0.816 20 30 FCEDHO C=CCOC[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277775314 862066328 /nfs/dbraw/zinc/06/63/28/862066328.db2.gz MUKPULLYCXBSMF-MJGOQNOKSA-N 1 3 353.507 0.816 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215774389 855144637 /nfs/dbraw/zinc/14/46/37/855144637.db2.gz NVGDGIUISHGHMV-ZACQAIPSSA-N 1 3 350.507 0.988 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215774389 855144640 /nfs/dbraw/zinc/14/46/40/855144640.db2.gz NVGDGIUISHGHMV-ZACQAIPSSA-N 1 3 350.507 0.988 20 30 FCEDHO CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001226564597 857109788 /nfs/dbraw/zinc/10/97/88/857109788.db2.gz MBYXAQBATFZBSM-RBSFLKMASA-N 1 3 355.458 0.323 20 30 FCEDHO C#CCOCCOCCOCc1cn(CCCC[NH2+]CCCN)nn1 ZINC001254164001 857944597 /nfs/dbraw/zinc/94/45/97/857944597.db2.gz DAQUIBGILJUGGW-UHFFFAOYSA-N 1 3 353.467 0.180 20 30 FCEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)C(C)C ZINC000419572759 246208155 /nfs/dbraw/zinc/20/81/55/246208155.db2.gz QXDSPMAHZKDKCE-QFBILLFUSA-N 1 3 350.507 0.999 20 30 FCEDHO N#Cc1ccc(CC(C#N)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000472027216 250128194 /nfs/dbraw/zinc/12/81/94/250128194.db2.gz LFSYPEQUSSXZJW-MSOLQXFVSA-N 1 3 367.453 0.944 20 30 FCEDHO N#Cc1ccc(CC(C#N)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000472027216 250128197 /nfs/dbraw/zinc/12/81/97/250128197.db2.gz LFSYPEQUSSXZJW-MSOLQXFVSA-N 1 3 367.453 0.944 20 30 FCEDHO [NH2+]=C(NCCCN1CCOCC1)NCC1CCN(c2ccncc2)CC1 ZINC000179737996 229228860 /nfs/dbraw/zinc/22/88/60/229228860.db2.gz UHZMHBULWMSKSN-UHFFFAOYSA-N 1 3 360.506 0.925 20 30 FCEDHO CN(C)C(=O)CNC(=[NH+]C1CCOCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262330837 229301552 /nfs/dbraw/zinc/30/15/52/229301552.db2.gz UZISHNNUVGXDMV-QGZVFWFLSA-N 1 3 365.522 0.759 20 30 FCEDHO CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)N(C)C1 ZINC000329097987 488969099 /nfs/dbraw/zinc/96/90/99/488969099.db2.gz YRKXNZVULCXDJU-WNRNVDISSA-N 1 3 368.522 0.929 20 30 FCEDHO C=CCN1CCC(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000076971790 488407799 /nfs/dbraw/zinc/40/77/99/488407799.db2.gz HBLJNPXLRPCXJP-HNNXBMFYSA-N 1 3 351.495 0.523 20 30 FCEDHO C=CCN1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000076971790 488407802 /nfs/dbraw/zinc/40/78/02/488407802.db2.gz HBLJNPXLRPCXJP-HNNXBMFYSA-N 1 3 351.495 0.523 20 30 FCEDHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000330141346 489073054 /nfs/dbraw/zinc/07/30/54/489073054.db2.gz PXVPHJFGIHFSGV-BRWVUGGUSA-N 1 3 363.506 0.766 20 30 FCEDHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000330141346 489073058 /nfs/dbraw/zinc/07/30/58/489073058.db2.gz PXVPHJFGIHFSGV-BRWVUGGUSA-N 1 3 363.506 0.766 20 30 FCEDHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000286563839 489404615 /nfs/dbraw/zinc/40/46/15/489404615.db2.gz SODGGRNWXXXFMR-INIZCTEOSA-N 1 3 373.501 0.905 20 30 FCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000555798195 491273483 /nfs/dbraw/zinc/27/34/83/491273483.db2.gz UKCDWTQOLRRRCQ-UHFFFAOYSA-N 1 3 357.458 0.399 20 30 FCEDHO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420984858 490039327 /nfs/dbraw/zinc/03/93/27/490039327.db2.gz UWYVMWUTMVPJQH-MRXNPFEDSA-N 1 3 365.522 0.879 20 30 FCEDHO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420984858 490039331 /nfs/dbraw/zinc/03/93/31/490039331.db2.gz UWYVMWUTMVPJQH-MRXNPFEDSA-N 1 3 365.522 0.879 20 30 FCEDHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000423075895 490536612 /nfs/dbraw/zinc/53/66/12/490536612.db2.gz PQFTWJUPXCZBAX-KRWDZBQOSA-N 1 3 357.458 0.269 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCOC)CCN(C)C)CC1 ZINC000557767321 491397019 /nfs/dbraw/zinc/39/70/19/491397019.db2.gz PMDOUNRVPDMOLA-UHFFFAOYSA-N 1 3 354.495 0.180 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000567600041 491516875 /nfs/dbraw/zinc/51/68/75/491516875.db2.gz FAIPPVUBCRTRKG-MRXNPFEDSA-N 1 3 350.507 0.943 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000567600041 491516876 /nfs/dbraw/zinc/51/68/76/491516876.db2.gz FAIPPVUBCRTRKG-MRXNPFEDSA-N 1 3 350.507 0.943 20 30 FCEDHO C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(C#N)cc1 ZINC000583743335 491850944 /nfs/dbraw/zinc/85/09/44/491850944.db2.gz HOIDHGKVDIEIIM-HNNXBMFYSA-N 1 3 359.474 0.687 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419849034 535860455 /nfs/dbraw/zinc/86/04/55/535860455.db2.gz XOLHPGXOLLFCFY-KRWDZBQOSA-N 1 3 357.458 0.317 20 30 FCEDHO C#CCCN1CCN(c2nccc(N3CC[NH+](CCC#C)CC3)n2)CC1 ZINC000892315969 1172133515 /nfs/dbraw/zinc/13/35/15/1172133515.db2.gz ULANCWGGOJNKKK-UHFFFAOYSA-N 1 3 352.486 0.767 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000974187884 1183036541 /nfs/dbraw/zinc/03/65/41/1183036541.db2.gz ZMCAAZRHCJHVRW-NRSFXHEJSA-N 1 3 360.502 0.435 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000974187884 1183036548 /nfs/dbraw/zinc/03/65/48/1183036548.db2.gz ZMCAAZRHCJHVRW-NRSFXHEJSA-N 1 3 360.502 0.435 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC)C2)CC1 ZINC001105062159 1183097748 /nfs/dbraw/zinc/09/77/48/1183097748.db2.gz CEWSOAZZLVXEIS-SJLPKXTDSA-N 1 3 362.518 0.542 20 30 FCEDHO CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001105067051 1183101383 /nfs/dbraw/zinc/10/13/83/1183101383.db2.gz LDCCSAKEBIZXON-BRWVUGGUSA-N 1 3 363.506 0.575 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCc4ncnn43)[C@@H]2C)CC1 ZINC001089059458 1196879146 /nfs/dbraw/zinc/87/91/46/1196879146.db2.gz MYFWAGCYKDDUNB-NJAFHUGGSA-N 1 3 370.501 0.690 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)[C@@H]2C)CC1 ZINC001089059458 1196879147 /nfs/dbraw/zinc/87/91/47/1196879147.db2.gz MYFWAGCYKDDUNB-NJAFHUGGSA-N 1 3 370.501 0.690 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130012113 1201471434 /nfs/dbraw/zinc/47/14/34/1201471434.db2.gz PHQRBCSQONVEHR-ZACQAIPSSA-N 1 3 362.478 0.307 20 30 FCEDHO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCn2ccnc2)n[nH]1 ZINC001130225216 1201554154 /nfs/dbraw/zinc/55/41/54/1201554154.db2.gz XRRJIVVZSLNVCI-GJZGRUSLSA-N 1 3 371.445 0.193 20 30 FCEDHO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001130293155 1201579222 /nfs/dbraw/zinc/57/92/22/1201579222.db2.gz NGLJGYJKGDYHLU-NEWSRXKRSA-N 1 3 360.502 0.435 20 30 FCEDHO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)n[n-]2)O1 ZINC001130816383 1202807090 /nfs/dbraw/zinc/80/70/90/1202807090.db2.gz UIRODRCIRIDYDJ-SOUVJXGZSA-N 1 3 360.462 0.206 20 30 FCEDHO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)n[n-]2)O1 ZINC001130816383 1202807091 /nfs/dbraw/zinc/80/70/91/1202807091.db2.gz UIRODRCIRIDYDJ-SOUVJXGZSA-N 1 3 360.462 0.206 20 30 FCEDHO CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817557 1202808418 /nfs/dbraw/zinc/80/84/18/1202808418.db2.gz SKWQLBALMUHFDU-SOUVJXGZSA-N 1 3 360.462 0.206 20 30 FCEDHO CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130817557 1202808421 /nfs/dbraw/zinc/80/84/21/1202808421.db2.gz SKWQLBALMUHFDU-SOUVJXGZSA-N 1 3 360.462 0.206 20 30 FCEDHO C[C@H](C#N)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001179900811 1206386475 /nfs/dbraw/zinc/38/64/75/1206386475.db2.gz DGXDOIFMLORYMP-INSRFAMQSA-N 1 3 370.494 0.442 20 30 FCEDHO N#CC1(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CCN(Cc2ccccc2)CC1 ZINC001220643537 1224983765 /nfs/dbraw/zinc/98/37/65/1224983765.db2.gz JQSZBJIQAXCRHF-HLIPFELVSA-N 1 3 353.470 0.883 20 30 FCEDHO C#CC[N@H+](C)CCCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883668075 1210684069 /nfs/dbraw/zinc/68/40/69/1210684069.db2.gz MYUCEYSOBHLRGY-UHFFFAOYSA-N 1 3 363.506 0.457 20 30 FCEDHO C#CC[N@@H+](C)CCCNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000883668075 1210684070 /nfs/dbraw/zinc/68/40/70/1210684070.db2.gz MYUCEYSOBHLRGY-UHFFFAOYSA-N 1 3 363.506 0.457 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000884643124 1210770564 /nfs/dbraw/zinc/77/05/64/1210770564.db2.gz XVPUUSIDAMUWAW-UHFFFAOYSA-N 1 3 356.470 0.715 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCn2cncn2)C3)CC1 ZINC001099174536 1219940440 /nfs/dbraw/zinc/94/04/40/1219940440.db2.gz RUCAQSNWQIFNGP-ICSRJNTNSA-N 1 3 370.501 0.594 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCn2cncn2)C3)CC1 ZINC001099174536 1219940443 /nfs/dbraw/zinc/94/04/43/1219940443.db2.gz RUCAQSNWQIFNGP-ICSRJNTNSA-N 1 3 370.501 0.594 20 30 FCEDHO C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051977 1220479289 /nfs/dbraw/zinc/47/92/89/1220479289.db2.gz WLRUXSPLPPOATM-NUJGCVRESA-N 1 3 362.518 0.942 20 30 FCEDHO C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)CN(C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051977 1220479292 /nfs/dbraw/zinc/47/92/92/1220479292.db2.gz WLRUXSPLPPOATM-NUJGCVRESA-N 1 3 362.518 0.942 20 30 FCEDHO C=CCN(CC=C)C(=O)CN1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578362 1220700880 /nfs/dbraw/zinc/70/08/80/1220700880.db2.gz YQVQMCVSWSKABH-FGTMMUONSA-N 1 3 362.518 0.823 20 30 FCEDHO C=CCN(CC=C)C(=O)CN1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578362 1220700881 /nfs/dbraw/zinc/70/08/81/1220700881.db2.gz YQVQMCVSWSKABH-FGTMMUONSA-N 1 3 362.518 0.823 20 30 FCEDHO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)CCC ZINC001229860106 1226037188 /nfs/dbraw/zinc/03/71/88/1226037188.db2.gz MBTPGQJMUYXISH-HUUCEWRRSA-N 1 3 367.494 0.357 20 30 FCEDHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@@H](N)c1ccc(C#N)cc1 ZINC001158499119 1223100508 /nfs/dbraw/zinc/10/05/08/1223100508.db2.gz WPPQTLIHWXCGEL-VVLHAWIVSA-N 1 3 356.426 0.700 20 30 FCEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215414317 1223998678 /nfs/dbraw/zinc/99/86/78/1223998678.db2.gz SWTCUTSYVZQMSB-IAGOWNOFSA-N 1 3 362.518 0.965 20 30 FCEDHO C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001216490578 1224053050 /nfs/dbraw/zinc/05/30/50/1224053050.db2.gz FHQFJYIPLMAUTP-HUUCEWRRSA-N 1 3 367.494 0.167 20 30 FCEDHO C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001216490578 1224053051 /nfs/dbraw/zinc/05/30/51/1224053051.db2.gz FHQFJYIPLMAUTP-HUUCEWRRSA-N 1 3 367.494 0.167 20 30 FCEDHO C=CCN1CCC(NC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891521825 1245453488 /nfs/dbraw/zinc/45/34/88/1245453488.db2.gz KGIDBBJOXCFFSR-OAGGEKHMSA-N 1 3 363.462 0.213 20 30 FCEDHO C[NH+]1CCC(N2CCC(NC(=O)NC3CCN(CC#N)CC3)CC2)CC1 ZINC001318322608 1263563063 /nfs/dbraw/zinc/56/30/63/1263563063.db2.gz BJXYHJSUQSIPSN-UHFFFAOYSA-N 1 3 362.522 0.832 20 30 FCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C#N)c(F)c1 ZINC001326390146 1265103425 /nfs/dbraw/zinc/10/34/25/1265103425.db2.gz DQRDQQVMDCNMHB-UHFFFAOYSA-N 1 3 363.437 0.265 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCc3cn[nH]n3)C2)CC1 ZINC001574966928 1271686395 /nfs/dbraw/zinc/68/63/95/1271686395.db2.gz LHVPSAWKKBXKDL-SJLPKXTDSA-N 1 3 372.517 0.767 20 30 FCEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106247978 845142937 /nfs/dbraw/zinc/14/29/37/845142937.db2.gz FVBCWHUVOPTYGG-OWCLPIDISA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCOCCN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130081328 848941665 /nfs/dbraw/zinc/94/16/65/848941665.db2.gz JGFZZSNUOYZPKV-CVEARBPZSA-N 1 3 350.467 0.164 20 30 FCEDHO C=CCOCCN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130081328 848941672 /nfs/dbraw/zinc/94/16/72/848941672.db2.gz JGFZZSNUOYZPKV-CVEARBPZSA-N 1 3 350.467 0.164 20 30 FCEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001130299072 848998111 /nfs/dbraw/zinc/99/81/11/848998111.db2.gz WAICYSXBAAUEIB-APWZRJJASA-N 1 3 350.507 0.990 20 30 FCEDHO N[C@@H](CCC[NH3+])Nc1ccccc1COC(=O)ON1C(=O)CCC1=O ZINC001170899672 850669652 /nfs/dbraw/zinc/66/96/52/850669652.db2.gz DGHFQLKUAHIOPS-CYBMUJFWSA-N 1 3 350.375 0.839 20 30 FCEDHO CC#CC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001179756829 850998610 /nfs/dbraw/zinc/99/86/10/850998610.db2.gz XZIUOWNCNUEYOU-CUINURIISA-N 1 3 355.479 0.305 20 30 FCEDHO C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182676334 851190710 /nfs/dbraw/zinc/19/07/10/851190710.db2.gz HVSFXAKUCQRKEW-BRWVUGGUSA-N 1 3 350.507 0.942 20 30 FCEDHO C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676334 851190716 /nfs/dbraw/zinc/19/07/16/851190716.db2.gz HVSFXAKUCQRKEW-BRWVUGGUSA-N 1 3 350.507 0.942 20 30 FCEDHO N#Cc1cc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)ccc1F ZINC001238244191 857466411 /nfs/dbraw/zinc/46/64/11/857466411.db2.gz XFNKPRCTHFQHKB-ZDUSSCGKSA-N 1 3 352.435 0.850 20 30 FCEDHO N#Cc1cc(S(=O)(=O)NC[C@@H]2CCC3(CC[NH2+]CC3)N2)ccc1F ZINC001238244191 857466413 /nfs/dbraw/zinc/46/64/13/857466413.db2.gz XFNKPRCTHFQHKB-ZDUSSCGKSA-N 1 3 352.435 0.850 20 30 FCEDHO CN1CC[C@@](O)(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000262348722 529800228 /nfs/dbraw/zinc/80/02/28/529800228.db2.gz YLVUZHKIVULNNH-QGZVFWFLSA-N 1 3 351.882 0.843 20 30 FCEDHO CN1CCCN(CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000104175098 530053833 /nfs/dbraw/zinc/05/38/33/530053833.db2.gz CAFBCKOXXMPCBZ-UHFFFAOYSA-N 1 3 368.526 0.491 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)C(C)C ZINC000419571605 246206074 /nfs/dbraw/zinc/20/60/74/246206074.db2.gz OZXSGCMZCCDLFX-YESZJQIVSA-N 1 3 350.507 0.997 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)C(C)C ZINC000419567957 246206131 /nfs/dbraw/zinc/20/61/31/246206131.db2.gz JUWRXQHRRIPZHV-FGTMMUONSA-N 1 3 362.518 0.869 20 30 FCEDHO C=CCN1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000076971793 488408106 /nfs/dbraw/zinc/40/81/06/488408106.db2.gz HBLJNPXLRPCXJP-OAHLLOKOSA-N 1 3 351.495 0.523 20 30 FCEDHO C=CCN1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000076971793 488408108 /nfs/dbraw/zinc/40/81/08/488408108.db2.gz HBLJNPXLRPCXJP-OAHLLOKOSA-N 1 3 351.495 0.523 20 30 FCEDHO CN1CCC(O)(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000329564707 489016378 /nfs/dbraw/zinc/01/63/78/489016378.db2.gz KGVVGQCJAJXLAW-UHFFFAOYSA-N 1 3 354.495 0.592 20 30 FCEDHO C#CCN(C)CCCNC(=O)/C=C/C=C/C(=O)NCCC[N@H+](C)CC#C ZINC000294009392 489187958 /nfs/dbraw/zinc/18/79/58/489187958.db2.gz PNSAJSQNQNBROB-MKICQXMISA-N 1 3 358.486 0.241 20 30 FCEDHO C#CCN(C)CCCNC(=O)/C=C/C=C/C(=O)NCCC[N@@H+](C)CC#C ZINC000294009392 489187960 /nfs/dbraw/zinc/18/79/60/489187960.db2.gz PNSAJSQNQNBROB-MKICQXMISA-N 1 3 358.486 0.241 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420186401 489945078 /nfs/dbraw/zinc/94/50/78/489945078.db2.gz CJOWNXQGSJVKQI-QZTJIDSGSA-N 1 3 371.485 0.692 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000521087402 490223432 /nfs/dbraw/zinc/22/34/32/490223432.db2.gz CFABKDGUXFLGIK-MRXNPFEDSA-N 1 3 350.507 0.847 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000521087402 490223436 /nfs/dbraw/zinc/22/34/36/490223436.db2.gz CFABKDGUXFLGIK-MRXNPFEDSA-N 1 3 350.507 0.847 20 30 FCEDHO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000518169328 490932138 /nfs/dbraw/zinc/93/21/38/490932138.db2.gz RQVKQBHNENXVSN-FQEVSTJZSA-N 1 3 360.502 0.939 20 30 FCEDHO CN(CCC#N)C[C@@H](O)CNCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000518169328 490932140 /nfs/dbraw/zinc/93/21/40/490932140.db2.gz RQVKQBHNENXVSN-FQEVSTJZSA-N 1 3 360.502 0.939 20 30 FCEDHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000579925276 491709074 /nfs/dbraw/zinc/70/90/74/491709074.db2.gz RYEWVCWOWNEWQB-UHFFFAOYSA-N 1 3 359.474 0.468 20 30 FCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000579925276 491709076 /nfs/dbraw/zinc/70/90/76/491709076.db2.gz RYEWVCWOWNEWQB-UHFFFAOYSA-N 1 3 359.474 0.468 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1N1CCN(C)CC1 ZINC000264081517 529074800 /nfs/dbraw/zinc/07/48/00/529074800.db2.gz HNMWELRVULTEML-QGZVFWFLSA-N 1 3 359.522 0.722 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000264118555 529100544 /nfs/dbraw/zinc/10/05/44/529100544.db2.gz UAGJHASHWLXENU-HNNXBMFYSA-N 1 3 367.519 0.826 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCCO)c(OC)c1 ZINC000264066396 529101045 /nfs/dbraw/zinc/10/10/45/529101045.db2.gz BKXXXIWWEXOSSP-HNNXBMFYSA-N 1 3 350.463 0.955 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294240 1169684557 /nfs/dbraw/zinc/68/45/57/1169684557.db2.gz DZQLICVPMBEJHI-IXDOHACOSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001104683140 1182366670 /nfs/dbraw/zinc/36/66/70/1182366670.db2.gz GJBRPXLWFCRUPX-IAGOWNOFSA-N 1 3 362.518 0.542 20 30 FCEDHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104832832 1182942045 /nfs/dbraw/zinc/94/20/45/1182942045.db2.gz WAJWYUWVBMMBPN-IAGOWNOFSA-N 1 3 363.506 0.432 20 30 FCEDHO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112529702 1186085514 /nfs/dbraw/zinc/08/55/14/1186085514.db2.gz LHQMGVLKDFWXFS-ZWOKBUDYSA-N 1 3 362.518 0.849 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CC[C@H](C)C1)C2 ZINC001112529694 1186087734 /nfs/dbraw/zinc/08/77/34/1186087734.db2.gz LBTPKLAJQCZFOB-ZWOKBUDYSA-N 1 3 360.502 0.296 20 30 FCEDHO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455544 1197933208 /nfs/dbraw/zinc/93/32/08/1197933208.db2.gz ZMGFDADMRXUFJM-QUJXQBBWSA-N 1 3 361.486 0.184 20 30 FCEDHO C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001219652266 1224546097 /nfs/dbraw/zinc/54/60/97/1224546097.db2.gz MFZDHMYWVAFTOE-YRXWBPOGSA-N 1 3 365.518 0.861 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(CC)CC)C2 ZINC001112548838 1200773734 /nfs/dbraw/zinc/77/37/34/1200773734.db2.gz UZEHYOHTXLVJJS-ZWOKBUDYSA-N 1 3 362.518 0.684 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C2CCC2)[n-]1 ZINC001130220822 1201550502 /nfs/dbraw/zinc/55/05/02/1201550502.db2.gz MXOCKNSACRQUEF-GJZGRUSLSA-N 1 3 362.478 0.553 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C2CCC2)[n-]1 ZINC001130220822 1201550512 /nfs/dbraw/zinc/55/05/12/1201550512.db2.gz MXOCKNSACRQUEF-GJZGRUSLSA-N 1 3 362.478 0.553 20 30 FCEDHO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)[NH+](C)C)[n-]1 ZINC001130237760 1201560431 /nfs/dbraw/zinc/56/04/31/1201560431.db2.gz DBAWIXCMBKGEOS-KKUMJFAQSA-N 1 3 364.494 0.799 20 30 FCEDHO CC#CCN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cncn1C ZINC001131025807 1202847726 /nfs/dbraw/zinc/84/77/26/1202847726.db2.gz DBRVFKYRAVMTSL-IAGOWNOFSA-N 1 3 355.486 0.956 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1cnn(C)c1 ZINC001086983966 1204878702 /nfs/dbraw/zinc/87/87/02/1204878702.db2.gz RNSXCVFFFFMLLV-ZWKOTPCHSA-N 1 3 355.486 0.813 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1c1cnn(C)c1 ZINC001087003746 1204891618 /nfs/dbraw/zinc/89/16/18/1204891618.db2.gz NHHZJESJROJIJS-ZWKOTPCHSA-N 1 3 359.474 0.048 20 30 FCEDHO C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CN(C)C3CCC3)C[C@H]2C)C1=O ZINC001093826033 1206123895 /nfs/dbraw/zinc/12/38/95/1206123895.db2.gz YIILAVCSRVPDIM-NUJGCVRESA-N 1 3 362.518 0.942 20 30 FCEDHO C=C[C@@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276815597 1225029044 /nfs/dbraw/zinc/02/90/44/1225029044.db2.gz RNXBNJLBHNDTLY-QUCCMNQESA-N 1 3 364.534 0.628 20 30 FCEDHO C=C[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276815597 1225029052 /nfs/dbraw/zinc/02/90/52/1225029052.db2.gz RNXBNJLBHNDTLY-QUCCMNQESA-N 1 3 364.534 0.628 20 30 FCEDHO C=CCOCCN1C[C@@H](O)[C@H](NC(=O)CN(C)CCc2ccccc2)C1 ZINC001196222167 1208067976 /nfs/dbraw/zinc/06/79/76/1208067976.db2.gz ICLRYGBXBCAJDZ-RTBURBONSA-N 1 3 361.486 0.525 20 30 FCEDHO C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CCc2ccccc2)C1 ZINC001196222167 1208067977 /nfs/dbraw/zinc/06/79/77/1208067977.db2.gz ICLRYGBXBCAJDZ-RTBURBONSA-N 1 3 361.486 0.525 20 30 FCEDHO C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN(C)CCc2ccccc2)C1 ZINC001196222167 1208067978 /nfs/dbraw/zinc/06/79/78/1208067978.db2.gz ICLRYGBXBCAJDZ-RTBURBONSA-N 1 3 361.486 0.525 20 30 FCEDHO C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001196222167 1208067979 /nfs/dbraw/zinc/06/79/79/1208067979.db2.gz ICLRYGBXBCAJDZ-RTBURBONSA-N 1 3 361.486 0.525 20 30 FCEDHO C=CCOCCN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001196222167 1208067980 /nfs/dbraw/zinc/06/79/80/1208067980.db2.gz ICLRYGBXBCAJDZ-RTBURBONSA-N 1 3 361.486 0.525 20 30 FCEDHO C#CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)C1CCN(C)CC1 ZINC000886581057 1210832556 /nfs/dbraw/zinc/83/25/56/1210832556.db2.gz IQIVYMXWXMUSGW-IEBWSBKVSA-N 1 3 374.529 0.875 20 30 FCEDHO C#CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)C1CCN(C)CC1 ZINC000886581057 1210832558 /nfs/dbraw/zinc/83/25/58/1210832558.db2.gz IQIVYMXWXMUSGW-IEBWSBKVSA-N 1 3 374.529 0.875 20 30 FCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000931594084 1211761524 /nfs/dbraw/zinc/76/15/24/1211761524.db2.gz GYXOQWKWHDDSSP-UHFFFAOYSA-N 1 3 363.437 0.265 20 30 FCEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928951 1216848865 /nfs/dbraw/zinc/84/88/65/1216848865.db2.gz NCJHXVMSEPQSLO-KSZLIROESA-N 1 3 358.490 0.928 20 30 FCEDHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001226766286 1225854065 /nfs/dbraw/zinc/85/40/65/1225854065.db2.gz KXXYVFSWNVYYEK-GVDBMIGSSA-N 1 3 363.506 0.906 20 30 FCEDHO CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCC#N ZINC001226766286 1225854066 /nfs/dbraw/zinc/85/40/66/1225854066.db2.gz KXXYVFSWNVYYEK-GVDBMIGSSA-N 1 3 363.506 0.906 20 30 FCEDHO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)N(C)C ZINC001227057143 1225862374 /nfs/dbraw/zinc/86/23/74/1225862374.db2.gz OSGQWLBRUNNWLL-RBSFLKMASA-N 1 3 367.494 0.355 20 30 FCEDHO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(Cc3ccnc(C#N)c3)C2)C1=O ZINC001277296296 1225917936 /nfs/dbraw/zinc/91/79/36/1225917936.db2.gz BHZMHBPFSABWOL-LJQANCHMSA-N 1 3 355.442 0.856 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@H]2CCNC2=O)C3)CC1 ZINC001099174463 1219940248 /nfs/dbraw/zinc/94/02/48/1219940248.db2.gz OCGAQLCZIBQDFE-ZWOKBUDYSA-N 1 3 358.486 0.191 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H]2CCNC2=O)C3)CC1 ZINC001099174463 1219940255 /nfs/dbraw/zinc/94/02/55/1219940255.db2.gz OCGAQLCZIBQDFE-ZWOKBUDYSA-N 1 3 358.486 0.191 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+]([C@@H]2CCNC2=O)C3)CC1 ZINC001099174462 1219940756 /nfs/dbraw/zinc/94/07/56/1219940756.db2.gz OCGAQLCZIBQDFE-QKLQHJQFSA-N 1 3 358.486 0.191 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H]2CCNC2=O)C3)CC1 ZINC001099174462 1219940759 /nfs/dbraw/zinc/94/07/59/1219940759.db2.gz OCGAQLCZIBQDFE-QKLQHJQFSA-N 1 3 358.486 0.191 20 30 FCEDHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C ZINC001102976891 1220815059 /nfs/dbraw/zinc/81/50/59/1220815059.db2.gz BOEXETHRHHMQFG-BRWVUGGUSA-N 1 3 363.506 0.573 20 30 FCEDHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C ZINC001102976891 1220815060 /nfs/dbraw/zinc/81/50/60/1220815060.db2.gz BOEXETHRHHMQFG-BRWVUGGUSA-N 1 3 363.506 0.573 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103752525 1220964028 /nfs/dbraw/zinc/96/40/28/1220964028.db2.gz KFZLMUYOBCBKDA-QZTJIDSGSA-N 1 3 362.518 0.686 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]2C)CC1 ZINC001103752414 1220964108 /nfs/dbraw/zinc/96/41/08/1220964108.db2.gz DRQPIKYIFWMINK-KBAYOESNSA-N 1 3 362.518 0.670 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]2C)CC1 ZINC001103752414 1220964111 /nfs/dbraw/zinc/96/41/11/1220964111.db2.gz DRQPIKYIFWMINK-KBAYOESNSA-N 1 3 362.518 0.670 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](CCOCCO)C[C@H]2C)CC1 ZINC001103751917 1220964384 /nfs/dbraw/zinc/96/43/84/1220964384.db2.gz YZYNBOMOCIAJOX-IEBWSBKVSA-N 1 3 365.518 0.415 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)CC1 ZINC001103751917 1220964389 /nfs/dbraw/zinc/96/43/89/1220964389.db2.gz YZYNBOMOCIAJOX-IEBWSBKVSA-N 1 3 365.518 0.415 20 30 FCEDHO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)CC1 ZINC001229459504 1226012869 /nfs/dbraw/zinc/01/28/69/1226012869.db2.gz VLCHTKAYNYPVEK-IAGOWNOFSA-N 1 3 363.506 0.764 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001112399447 1221252448 /nfs/dbraw/zinc/25/24/48/1221252448.db2.gz UOSNKQWHRREDHO-HQRMLTQVSA-N 1 3 360.502 0.294 20 30 FCEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001160637051 1223167314 /nfs/dbraw/zinc/16/73/14/1223167314.db2.gz OAVOVAUQSQHPIB-HNNXBMFYSA-N 1 3 359.478 0.492 20 30 FCEDHO N#CCN(Cc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160669750 1223167936 /nfs/dbraw/zinc/16/79/36/1223167936.db2.gz LOEYWDBZFQDCLQ-ROUUACIJSA-N 1 3 371.485 0.986 20 30 FCEDHO C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001214948088 1223958448 /nfs/dbraw/zinc/95/84/48/1223958448.db2.gz KGSHGAIVQFGENB-IXDOHACOSA-N 1 3 362.518 0.990 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383757 1224048119 /nfs/dbraw/zinc/04/81/19/1224048119.db2.gz PIRFUALUWMLDKQ-IXDOHACOSA-N 1 3 363.506 0.527 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383757 1224048122 /nfs/dbraw/zinc/04/81/22/1224048122.db2.gz PIRFUALUWMLDKQ-IXDOHACOSA-N 1 3 363.506 0.527 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216406111 1224049205 /nfs/dbraw/zinc/04/92/05/1224049205.db2.gz ZCZUBIIZAKTWGY-HZPDHXFCSA-N 1 3 361.490 0.281 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N[C@H](C)CC)C2)CC1 ZINC001216837938 1224077576 /nfs/dbraw/zinc/07/75/76/1224077576.db2.gz ZSIZFZRQEIXERW-JFIYKMOQSA-N 1 3 362.518 0.683 20 30 FCEDHO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1C ZINC001106673101 1258938457 /nfs/dbraw/zinc/93/84/57/1258938457.db2.gz BXEAHWIPGRZFOE-KFWWJZLASA-N 1 3 367.494 0.023 20 30 FCEDHO N#Cc1ccc(C(=O)N2CCC([NH2+]C[C@]3(O)CCNC[C@@H]3F)CC2)cc1 ZINC001246090789 1259648304 /nfs/dbraw/zinc/64/83/04/1259648304.db2.gz ZPRIJBFXVPFOAP-PKOBYXMFSA-N 1 3 360.433 0.815 20 30 FCEDHO CCC(CC)[C@@H](N[C@@H]1CCN[C@H](C#N)C1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246410344 1259652490 /nfs/dbraw/zinc/65/24/90/1259652490.db2.gz IOEZSVJCZHAEBA-VJQLEBFWSA-N 1 3 366.506 0.522 20 30 FCEDHO C#CCOC[C@@H](O)C[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001251881650 1259769031 /nfs/dbraw/zinc/76/90/31/1259769031.db2.gz YTRRHJMAMOREHB-OALUTQOASA-N 1 3 373.497 0.402 20 30 FCEDHO C#CCNC(=O)CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001692318686 1289446782 /nfs/dbraw/zinc/44/67/82/1289446782.db2.gz GJYFZBXLMBAGPK-OKZBNKHCSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCNC(=O)CN[C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001692318686 1289446789 /nfs/dbraw/zinc/44/67/89/1289446789.db2.gz GJYFZBXLMBAGPK-OKZBNKHCSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001698881087 1289539765 /nfs/dbraw/zinc/53/97/65/1289539765.db2.gz TULWPAUIKPRXCC-NXHRZFHOSA-N 1 3 362.518 0.731 20 30 FCEDHO C#CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCCC1 ZINC001698881087 1289539772 /nfs/dbraw/zinc/53/97/72/1289539772.db2.gz TULWPAUIKPRXCC-NXHRZFHOSA-N 1 3 362.518 0.731 20 30 FCEDHO C[C@H](CNCC(=O)NCC#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001754242107 1290626025 /nfs/dbraw/zinc/62/60/25/1290626025.db2.gz JLRHGQYKHQSVMS-OIISXLGYSA-N 1 3 357.458 0.066 20 30 FCEDHO C[C@H](CNCC(=O)NCC#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001754242107 1290626035 /nfs/dbraw/zinc/62/60/35/1290626035.db2.gz JLRHGQYKHQSVMS-OIISXLGYSA-N 1 3 357.458 0.066 20 30 FCEDHO C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001689681516 1294823449 /nfs/dbraw/zinc/82/34/49/1294823449.db2.gz ZHFLAHBQIQFKKQ-CRAIPNDOSA-N 1 3 371.485 0.745 20 30 FCEDHO C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001689681516 1294823457 /nfs/dbraw/zinc/82/34/57/1294823457.db2.gz ZHFLAHBQIQFKKQ-CRAIPNDOSA-N 1 3 371.485 0.745 20 30 FCEDHO C=CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015128 838216368 /nfs/dbraw/zinc/21/63/68/838216368.db2.gz CQZZLYXCTANCJN-TVFCKZIOSA-N 1 3 351.491 0.471 20 30 FCEDHO C=CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290483 844459593 /nfs/dbraw/zinc/45/95/93/844459593.db2.gz GJJQCUTUKWOKOF-OWCLPIDISA-N 1 3 350.507 0.703 20 30 FCEDHO C=C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276814991 861625301 /nfs/dbraw/zinc/62/53/01/861625301.db2.gz LUKARSZHIGCIEQ-RCCFBDPRSA-N 1 3 350.507 0.236 20 30 FCEDHO C=C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CCN(C)CC1 ZINC001276814991 861625312 /nfs/dbraw/zinc/62/53/12/861625312.db2.gz LUKARSZHIGCIEQ-RCCFBDPRSA-N 1 3 350.507 0.236 20 30 FCEDHO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C(C)C)C2 ZINC001112586294 846532067 /nfs/dbraw/zinc/53/20/67/846532067.db2.gz RQEFWGYXDPNWDO-LPHOPBHVSA-N 1 3 350.507 0.847 20 30 FCEDHO C=C(C)CCN1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385673 848837984 /nfs/dbraw/zinc/83/79/84/848837984.db2.gz QLSUTMNQIDOUFC-CVEARBPZSA-N 1 3 350.467 0.164 20 30 FCEDHO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](CC)N(C)C)CC1 ZINC001130293513 848996999 /nfs/dbraw/zinc/99/69/99/848996999.db2.gz XVXYIICVBWWGQM-NUJGCVRESA-N 1 3 350.507 0.988 20 30 FCEDHO CC#CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001179756830 850998296 /nfs/dbraw/zinc/99/82/96/850998296.db2.gz XZIUOWNCNUEYOU-JBJRXJHCSA-N 1 3 355.479 0.305 20 30 FCEDHO CC[NH+](CC)[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)C(C)C ZINC001215978201 855161884 /nfs/dbraw/zinc/16/18/84/855161884.db2.gz YVZYYCIKMNJORV-BFYDXBDKSA-N 1 3 351.495 0.429 20 30 FCEDHO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](F)CN(CC)CC ZINC001226554994 857108712 /nfs/dbraw/zinc/10/87/12/857108712.db2.gz VUONZOFFEAPFEO-BZUAXINKSA-N 1 3 354.470 0.433 20 30 FCEDHO CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)N(C)C1 ZINC000329097983 488968806 /nfs/dbraw/zinc/96/88/06/488968806.db2.gz YRKXNZVULCXDJU-FJIDUMEYSA-N 1 3 368.522 0.929 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)cc1C ZINC000278076762 488799234 /nfs/dbraw/zinc/79/92/34/488799234.db2.gz WQMNSZRKAYLTPP-CQSZACIVSA-N 1 3 353.492 0.531 20 30 FCEDHO COc1ccc(CNC(=[NH2+])NCCCN(C)CCN(C)C)cc1OC ZINC000288651718 489001539 /nfs/dbraw/zinc/00/15/39/489001539.db2.gz FFWUANQURZBQLG-UHFFFAOYSA-N 1 3 351.495 0.992 20 30 FCEDHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H](CO)C3CCOCC3)CC2)CC1 ZINC000329474324 489007976 /nfs/dbraw/zinc/00/79/76/489007976.db2.gz STBADIPRWJPBJE-SFHVURJKSA-N 1 3 368.522 0.836 20 30 FCEDHO C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1=CC[N@H+](C)CC1 ZINC000329712904 489029436 /nfs/dbraw/zinc/02/94/36/489029436.db2.gz QSJQLLSRMTWDNP-RDJZCZTQSA-N 1 3 363.506 0.789 20 30 FCEDHO C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1=CC[N@@H+](C)CC1 ZINC000329712904 489029438 /nfs/dbraw/zinc/02/94/38/489029438.db2.gz QSJQLLSRMTWDNP-RDJZCZTQSA-N 1 3 363.506 0.789 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418755319 489722965 /nfs/dbraw/zinc/72/29/65/489722965.db2.gz FRSMPHGCCIJPJG-SFHVURJKSA-N 1 3 358.490 0.535 20 30 FCEDHO CC#CCCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000420197693 489949086 /nfs/dbraw/zinc/94/90/86/489949086.db2.gz BLLACKQYCHZUBS-UHFFFAOYSA-N 1 3 356.470 0.626 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000521087400 490223666 /nfs/dbraw/zinc/22/36/66/490223666.db2.gz CFABKDGUXFLGIK-INIZCTEOSA-N 1 3 350.507 0.847 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000521087400 490223669 /nfs/dbraw/zinc/22/36/69/490223669.db2.gz CFABKDGUXFLGIK-INIZCTEOSA-N 1 3 350.507 0.847 20 30 FCEDHO C=CC[NH+]1CCC(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000521604323 490280104 /nfs/dbraw/zinc/28/01/04/490280104.db2.gz WRGWHXVXGRQOED-QGZVFWFLSA-N 1 3 365.522 0.879 20 30 FCEDHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000423073838 490536423 /nfs/dbraw/zinc/53/64/23/490536423.db2.gz KCHNTGRYBRNUBS-QAPCUYQASA-N 1 3 371.485 0.644 20 30 FCEDHO C[NH+](C)C1CCN(CCNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000566112173 491418436 /nfs/dbraw/zinc/41/84/36/491418436.db2.gz KULZCIWKNKOLRI-UHFFFAOYSA-N 1 3 364.515 0.948 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000559864835 491506117 /nfs/dbraw/zinc/50/61/17/491506117.db2.gz NAFJOVDUSKYYCD-SFHVURJKSA-N 1 3 368.547 0.697 20 30 FCEDHO C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccc(C#N)cc1 ZINC000583743336 491851056 /nfs/dbraw/zinc/85/10/56/491851056.db2.gz HOIDHGKVDIEIIM-OAHLLOKOSA-N 1 3 359.474 0.687 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000642769901 492387747 /nfs/dbraw/zinc/38/77/47/492387747.db2.gz YNMQUHUYCLDCMJ-BRWVUGGUSA-N 1 3 366.506 0.376 20 30 FCEDHO C[NH+]=C(NCCNc1ccncc1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261818838 526361913 /nfs/dbraw/zinc/36/19/13/526361913.db2.gz UEONBSVVKNKNIL-UHFFFAOYSA-N 1 3 356.434 0.151 20 30 FCEDHO CCN1CCC[C@@H]1C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@]2(CCOC2)C1 ZINC000248874445 529059167 /nfs/dbraw/zinc/05/91/67/529059167.db2.gz LLAIYZCBEAUQBT-VQIMIIECSA-N 1 3 365.522 0.617 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419886549 535861280 /nfs/dbraw/zinc/86/12/80/535861280.db2.gz DDPRGZLSRMZKKC-ZWKOTPCHSA-N 1 3 371.485 0.835 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@H]1C ZINC001691116863 1170827551 /nfs/dbraw/zinc/82/75/51/1170827551.db2.gz ZSPDVRGGCBPIHH-BRWVUGGUSA-N 1 3 350.507 0.847 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001691116863 1170827558 /nfs/dbraw/zinc/82/75/58/1170827558.db2.gz ZSPDVRGGCBPIHH-BRWVUGGUSA-N 1 3 350.507 0.847 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001076917417 1195076611 /nfs/dbraw/zinc/07/66/11/1195076611.db2.gz GQJURVYQPYPTCX-LZLYRXPVSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001076917417 1195076617 /nfs/dbraw/zinc/07/66/17/1195076617.db2.gz GQJURVYQPYPTCX-LZLYRXPVSA-N 1 3 362.518 0.683 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894918 1201429217 /nfs/dbraw/zinc/42/92/17/1201429217.db2.gz XXHRZYOCVXFLNW-SJORKVTESA-N 1 3 362.478 0.307 20 30 FCEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001130298886 1201579994 /nfs/dbraw/zinc/57/99/94/1201579994.db2.gz KTNFAFMOCLFSEJ-AEFFLSMTSA-N 1 3 362.518 0.990 20 30 FCEDHO CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817556 1202808662 /nfs/dbraw/zinc/80/86/62/1202808662.db2.gz SKWQLBALMUHFDU-QLFBSQMISA-N 1 3 360.462 0.206 20 30 FCEDHO CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130817556 1202808663 /nfs/dbraw/zinc/80/86/63/1202808663.db2.gz SKWQLBALMUHFDU-QLFBSQMISA-N 1 3 360.462 0.206 20 30 FCEDHO C#CCC[NH2+][C@@H]1CN(C(=O)C2CCN(CC#C)CC2)C[C@H]1c1cncn1C ZINC001131128028 1202868392 /nfs/dbraw/zinc/86/83/92/1202868392.db2.gz RFCAUGQTMNEOKG-RTBURBONSA-N 1 3 367.497 0.673 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC001093224446 1206063127 /nfs/dbraw/zinc/06/31/27/1206063127.db2.gz WLWBGIQULFOOQU-NXHRZFHOSA-N 1 3 360.502 0.246 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC001093224446 1206063129 /nfs/dbraw/zinc/06/31/29/1206063129.db2.gz WLWBGIQULFOOQU-NXHRZFHOSA-N 1 3 360.502 0.246 20 30 FCEDHO C=C[C@@H](O)C[NH+]1CCC2(CCN(CCCN3CCN(C)CC3)C2=O)CC1 ZINC001276815115 1224988243 /nfs/dbraw/zinc/98/82/43/1224988243.db2.gz NNPHACRSNVFSIR-GOSISDBHSA-N 1 3 364.534 0.485 20 30 FCEDHO C=CCCCCCN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193068483 1207856635 /nfs/dbraw/zinc/85/66/35/1207856635.db2.gz UNDFMWHHSJULAM-QZTJIDSGSA-N 1 3 363.506 0.966 20 30 FCEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 ZINC000884642286 1210770541 /nfs/dbraw/zinc/77/05/41/1210770541.db2.gz FYKNGKAWDCQRTB-SFHVURJKSA-N 1 3 356.470 0.584 20 30 FCEDHO C#CCN(C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1)C1CCN(C)CC1 ZINC000886581059 1210832574 /nfs/dbraw/zinc/83/25/74/1210832574.db2.gz IQIVYMXWXMUSGW-PKOBYXMFSA-N 1 3 374.529 0.875 20 30 FCEDHO C#CCN(C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)C1CCN(C)CC1 ZINC000886581059 1210832575 /nfs/dbraw/zinc/83/25/75/1210832575.db2.gz IQIVYMXWXMUSGW-PKOBYXMFSA-N 1 3 374.529 0.875 20 30 FCEDHO Cn1cc(CN2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cc1C#N ZINC001275456008 1211242784 /nfs/dbraw/zinc/24/27/84/1211242784.db2.gz SQZBHGUIPBHLMG-LJQANCHMSA-N 1 3 357.458 0.799 20 30 FCEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928952 1216848756 /nfs/dbraw/zinc/84/87/56/1216848756.db2.gz NCJHXVMSEPQSLO-KURKYZTESA-N 1 3 358.490 0.928 20 30 FCEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001070381822 1219407035 /nfs/dbraw/zinc/40/70/35/1219407035.db2.gz XRCQLUARMPXZSM-AEFFLSMTSA-N 1 3 360.502 0.744 20 30 FCEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1cncn1C ZINC001070670578 1219517466 /nfs/dbraw/zinc/51/74/66/1219517466.db2.gz ZMOQMWCQANNZIZ-PPYPDYFKSA-N 1 3 371.485 0.353 20 30 FCEDHO C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001102122959 1220510514 /nfs/dbraw/zinc/51/05/14/1220510514.db2.gz WKJMOASQRDPBFP-UKRRQHHQSA-N 1 3 354.414 0.272 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001103060311 1220826432 /nfs/dbraw/zinc/82/64/32/1220826432.db2.gz FWSRRLIEIDWWJV-KURKYZTESA-N 1 3 362.518 0.684 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001103060311 1220826434 /nfs/dbraw/zinc/82/64/34/1220826434.db2.gz FWSRRLIEIDWWJV-KURKYZTESA-N 1 3 362.518 0.684 20 30 FCEDHO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001112399253 1221252678 /nfs/dbraw/zinc/25/26/78/1221252678.db2.gz JUGUGHJWSLKKRJ-HQRMLTQVSA-N 1 3 362.518 0.847 20 30 FCEDHO C#CCN(C)CCCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000841911027 1222831623 /nfs/dbraw/zinc/83/16/23/1222831623.db2.gz WVRFGUWSVSYDBU-IRXDYDNUSA-N 1 3 363.506 0.231 20 30 FCEDHO C=CCOCc1nn(C)c2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001159381730 1223125614 /nfs/dbraw/zinc/12/56/14/1223125614.db2.gz DCISEAFVRKCBCY-AUUYWEPGSA-N 1 3 359.474 0.207 20 30 FCEDHO C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215541264 1224005161 /nfs/dbraw/zinc/00/51/61/1224005161.db2.gz WQVSJHBOUMSUML-HBUWYVDXSA-N 1 3 367.469 0.275 20 30 FCEDHO C#Cc1cccc(NC(=O)CN[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C)c1 ZINC001216754177 1224068580 /nfs/dbraw/zinc/06/85/80/1224068580.db2.gz JZGQWJOLJORSTA-HHXXYDBFSA-N 1 3 368.481 0.995 20 30 FCEDHO C#Cc1cccc(NC(=O)CN[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)c1 ZINC001216754177 1224068582 /nfs/dbraw/zinc/06/85/82/1224068582.db2.gz JZGQWJOLJORSTA-HHXXYDBFSA-N 1 3 368.481 0.995 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(CC)CC)C2)CC1 ZINC001216837705 1224077518 /nfs/dbraw/zinc/07/75/18/1224077518.db2.gz NJQKUEYOSGEXSX-SJLPKXTDSA-N 1 3 362.518 0.637 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N[C@@H](C)CC)C2)CC1 ZINC001216837939 1224077689 /nfs/dbraw/zinc/07/76/89/1224077689.db2.gz ZSIZFZRQEIXERW-SOLBZPMBSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216964698 1224082297 /nfs/dbraw/zinc/08/22/97/1224082297.db2.gz GXQAEYHMITZRJG-KZNAEPCWSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(OCC)C3)C[C@H]2O)CC1 ZINC001078227383 1255341421 /nfs/dbraw/zinc/34/14/21/1255341421.db2.gz XJZHKKZWFISSBH-JDGDGYACSA-N 1 3 363.502 0.308 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(OCC)C3)C[C@H]2O)CC1 ZINC001078227383 1255341427 /nfs/dbraw/zinc/34/14/27/1255341427.db2.gz XJZHKKZWFISSBH-JDGDGYACSA-N 1 3 363.502 0.308 20 30 FCEDHO C#CCN1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]3COC[C@@H]32)CC1 ZINC001079241773 1255483882 /nfs/dbraw/zinc/48/38/82/1255483882.db2.gz BDMORHOYATVDMW-CEXWTWQISA-N 1 3 357.498 0.901 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2O)CC1 ZINC001084090432 1257915111 /nfs/dbraw/zinc/91/51/11/1257915111.db2.gz ZERAQQWXRIZODB-MOPGFXCFSA-N 1 3 363.502 0.310 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)CC1 ZINC001084090432 1257915115 /nfs/dbraw/zinc/91/51/15/1257915115.db2.gz ZERAQQWXRIZODB-MOPGFXCFSA-N 1 3 363.502 0.310 20 30 FCEDHO C=C[C@](C)(O)C[NH+]1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001252549695 1259796169 /nfs/dbraw/zinc/79/61/69/1259796169.db2.gz HAXDHZBZIDDJIH-FQEVSTJZSA-N 1 3 365.518 0.959 20 30 FCEDHO N#CCCCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCn3ccnc3)C[C@@H]12 ZINC001280182462 1261023591 /nfs/dbraw/zinc/02/35/91/1261023591.db2.gz ULWUVSFLPOZXLU-IRXDYDNUSA-N 1 3 356.474 0.699 20 30 FCEDHO N#CCCCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCn3ccnc3)C[C@@H]12 ZINC001280182462 1261023597 /nfs/dbraw/zinc/02/35/97/1261023597.db2.gz ULWUVSFLPOZXLU-IRXDYDNUSA-N 1 3 356.474 0.699 20 30 FCEDHO CN(CCC#N)C[C@H](O)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001326598697 1265140305 /nfs/dbraw/zinc/14/03/05/1265140305.db2.gz IMQXVLIGHOPSQC-HXUWFJFHSA-N 1 3 359.518 0.730 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001101958814 844347232 /nfs/dbraw/zinc/34/72/32/844347232.db2.gz UQOWTDYURVRQOM-ZACQAIPSSA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001101958814 844347243 /nfs/dbraw/zinc/34/72/43/844347243.db2.gz UQOWTDYURVRQOM-ZACQAIPSSA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCN(CC=C)C(=O)CN1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320628 844466350 /nfs/dbraw/zinc/46/63/50/844466350.db2.gz LZCRGUAVRFESSY-IAGOWNOFSA-N 1 3 350.507 0.823 20 30 FCEDHO C=C(C)CCN1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235321 840820059 /nfs/dbraw/zinc/82/00/59/840820059.db2.gz YDTQIHBLQHHRFM-ZWKOTPCHSA-N 1 3 351.491 0.975 20 30 FCEDHO COCC#CCN(CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371156 843911841 /nfs/dbraw/zinc/91/18/41/843911841.db2.gz IVWZDMWYVIWAHT-SJLPKXTDSA-N 1 3 351.491 0.262 20 30 FCEDHO COCC#CCN(CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371156 843911846 /nfs/dbraw/zinc/91/18/46/843911846.db2.gz IVWZDMWYVIWAHT-SJLPKXTDSA-N 1 3 351.491 0.262 20 30 FCEDHO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755417 844816859 /nfs/dbraw/zinc/81/68/59/844816859.db2.gz GJYXGWWMGKBPPO-IXDOHACOSA-N 1 3 350.507 0.539 20 30 FCEDHO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C(C)C)C1 ZINC001103755417 844816861 /nfs/dbraw/zinc/81/68/61/844816861.db2.gz GJYXGWWMGKBPPO-IXDOHACOSA-N 1 3 350.507 0.539 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001105066901 844976535 /nfs/dbraw/zinc/97/65/35/844976535.db2.gz FXOMUPNIKTTYDQ-IXDOHACOSA-N 1 3 350.507 0.539 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@@H]1n1ccnn1 ZINC001130107140 848945845 /nfs/dbraw/zinc/94/58/45/848945845.db2.gz FUHOGZBAEPYYEC-CVEARBPZSA-N 1 3 350.467 0.164 20 30 FCEDHO CN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)S(=O)(=O)CC[NH3+] ZINC001156240121 849899123 /nfs/dbraw/zinc/89/91/23/849899123.db2.gz HPYYCCXXQOAJNZ-JTQLQIEISA-N 1 3 355.420 0.150 20 30 FCEDHO C=CCOC[C@H]1CCC[C@@]12CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)CCO2 ZINC001160248336 850161797 /nfs/dbraw/zinc/16/17/97/850161797.db2.gz ZDTPIOPEAZGBJR-ZIFCJYIRSA-N 1 3 351.491 0.914 20 30 FCEDHO CC#CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001179756831 850998325 /nfs/dbraw/zinc/99/83/25/850998325.db2.gz XZIUOWNCNUEYOU-WAXYHTEFSA-N 1 3 355.479 0.305 20 30 FCEDHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(CC)CCC#N)C1)N(C)C ZINC001215571646 855128904 /nfs/dbraw/zinc/12/89/04/855128904.db2.gz QPWQKPBJLNLGJJ-OAGGEKHMSA-N 1 3 351.495 0.525 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001215568076 855129081 /nfs/dbraw/zinc/12/90/81/855129081.db2.gz KXRQCGHCVXDOQB-OWCLPIDISA-N 1 3 350.507 0.539 20 30 FCEDHO C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]2C)C1=O ZINC001216506395 855209631 /nfs/dbraw/zinc/20/96/31/855209631.db2.gz IIXAKHCWADFDNI-BRWVUGGUSA-N 1 3 350.507 0.942 20 30 FCEDHO C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C)C1=O ZINC001216506395 855209638 /nfs/dbraw/zinc/20/96/38/855209638.db2.gz IIXAKHCWADFDNI-BRWVUGGUSA-N 1 3 350.507 0.942 20 30 FCEDHO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216854261 855260832 /nfs/dbraw/zinc/26/08/32/855260832.db2.gz WDBMCCQBXZONQT-IAGOWNOFSA-N 1 3 350.507 0.964 20 30 FCEDHO C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220130979 855975166 /nfs/dbraw/zinc/97/51/66/855975166.db2.gz FSIWHDHYFSDEBG-GJZGRUSLSA-N 1 3 351.472 0.462 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C(C)C ZINC000419568539 246205938 /nfs/dbraw/zinc/20/59/38/246205938.db2.gz KVQBENNLQCXAQG-DLBZAZTESA-N 1 3 366.506 0.377 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000419733885 246276463 /nfs/dbraw/zinc/27/64/63/246276463.db2.gz UNOAZYZZPXBLHT-ZWKOTPCHSA-N 1 3 374.460 0.845 20 30 FCEDHO COc1ccc(-c2nnc(CNC(=[NH2+])NCCCN3CCOCC3)[nH]2)cc1 ZINC000303968700 488892819 /nfs/dbraw/zinc/89/28/19/488892819.db2.gz AXKLGEKRADBIFW-UHFFFAOYSA-N 1 3 373.461 0.607 20 30 FCEDHO COc1ccc(CNC(=[NH2+])NC[C@H](O)CN2CCCCC2)cc1OC ZINC000170913186 488817684 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C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001103367698 1220872218 /nfs/dbraw/zinc/87/22/18/1220872218.db2.gz FDUSYFWAKHILRK-VSZNYVQBSA-N 1 3 362.518 0.540 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@H]2C)CC1 ZINC001103751683 1220964225 /nfs/dbraw/zinc/96/42/25/1220964225.db2.gz MDUDSYTXSBKECU-BHIYHBOVSA-N 1 3 365.518 0.413 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2C)CC1 ZINC001103751683 1220964228 /nfs/dbraw/zinc/96/42/28/1220964228.db2.gz MDUDSYTXSBKECU-BHIYHBOVSA-N 1 3 365.518 0.413 20 30 FCEDHO COCCN(C)CCN1C[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1=O ZINC001120604838 1222108030 /nfs/dbraw/zinc/10/80/30/1222108030.db2.gz XFHXJKOBBWYMLB-QZTJIDSGSA-N 1 3 360.458 0.360 20 30 FCEDHO CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC#N)[C@H](O)OC(C)(C)C)C1 ZINC001143203468 1222869703 /nfs/dbraw/zinc/86/97/03/1222869703.db2.gz VXVQFHGRGRLGHS-WLRQEKSISA-N 1 3 370.494 0.586 20 30 FCEDHO C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001216964697 1224082189 /nfs/dbraw/zinc/08/21/89/1224082189.db2.gz GXQAEYHMITZRJG-FGTMMUONSA-N 1 3 362.518 0.827 20 30 FCEDHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1 ZINC001106778332 1258961817 /nfs/dbraw/zinc/96/18/17/1258961817.db2.gz DGHNYZRVECWPOF-IAGOWNOFSA-N 1 3 365.522 0.774 20 30 FCEDHO COc1ccc(C#N)cc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496978366 1263907029 /nfs/dbraw/zinc/90/70/29/1263907029.db2.gz BGUKIPYJIPMUGI-KBRIMQKVSA-N 1 3 360.458 0.474 20 30 FCEDHO COc1ccc(C#N)cc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496978366 1263907036 /nfs/dbraw/zinc/90/70/36/1263907036.db2.gz BGUKIPYJIPMUGI-KBRIMQKVSA-N 1 3 360.458 0.474 20 30 FCEDHO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cccc(CN2CCN(C)CC2)c1 ZINC001326598696 1265140347 /nfs/dbraw/zinc/14/03/47/1265140347.db2.gz IMQXVLIGHOPSQC-FQEVSTJZSA-N 1 3 359.518 0.730 20 30 FCEDHO C#CC[N@H+](C)CCCNC(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC001574604257 1271409575 /nfs/dbraw/zinc/40/95/75/1271409575.db2.gz KAMSWMGYVZFAMI-UHFFFAOYSA-N 1 3 355.446 0.480 20 30 FCEDHO C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(-n2cc(CN)nn2)c1 ZINC001574604257 1271409577 /nfs/dbraw/zinc/40/95/77/1271409577.db2.gz KAMSWMGYVZFAMI-UHFFFAOYSA-N 1 3 355.446 0.480 20 30 FCEDHO COCC#CCN1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001576952599 1273973438 /nfs/dbraw/zinc/97/34/38/1273973438.db2.gz IIODHJLTDAHIHZ-MRXNPFEDSA-N 1 3 374.489 0.199 20 30 FCEDHO COCC#CCN1CCC(N(Cc2c[nH]nn2)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001576952599 1273973443 /nfs/dbraw/zinc/97/34/43/1273973443.db2.gz IIODHJLTDAHIHZ-MRXNPFEDSA-N 1 3 374.489 0.199 20 30 FCEDHO CN1CCN(c2ccnc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)c2)CC1 ZINC001578537136 1275966594 /nfs/dbraw/zinc/96/65/94/1275966594.db2.gz OWSOLUHXBLRRIM-HVEKOLDVSA-N 1 3 354.458 0.911 20 30 FCEDHO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102044981 844394751 /nfs/dbraw/zinc/39/47/51/844394751.db2.gz MNSSRHRCCMKFHS-OWCLPIDISA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102044981 844394760 /nfs/dbraw/zinc/39/47/60/844394760.db2.gz MNSSRHRCCMKFHS-OWCLPIDISA-N 1 3 350.507 0.846 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CCC)C1 ZINC001103662598 844796350 /nfs/dbraw/zinc/79/63/50/844796350.db2.gz FGJRLGGKFNRUTQ-IAGOWNOFSA-N 1 3 350.507 0.542 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CCC)C1 ZINC001103662598 844796356 /nfs/dbraw/zinc/79/63/56/844796356.db2.gz FGJRLGGKFNRUTQ-IAGOWNOFSA-N 1 3 350.507 0.542 20 30 FCEDHO C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255689 845144591 /nfs/dbraw/zinc/14/45/91/845144591.db2.gz FBGWDIQDEXUDET-OWCLPIDISA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](CC)N(C)C)C2 ZINC001112531137 846515915 /nfs/dbraw/zinc/51/59/15/846515915.db2.gz HJXQIXGFLYSFOI-BXWFABGCSA-N 1 3 350.507 0.847 20 30 FCEDHO C=C(C)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001142515490 849446947 /nfs/dbraw/zinc/44/69/47/849446947.db2.gz OJSQXHQGOQOVQL-JBJRXJHCSA-N 1 3 357.495 0.858 20 30 FCEDHO C=CCN1C(=O)CC[C@@]12CCCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001159653114 850128362 /nfs/dbraw/zinc/12/83/62/850128362.db2.gz OSSLNSZXFUOAGN-WMLDXEAASA-N 1 3 354.520 0.565 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001215774347 855144459 /nfs/dbraw/zinc/14/44/59/855144459.db2.gz MLODKTMFJJLGQJ-BRWVUGGUSA-N 1 3 350.507 0.990 20 30 FCEDHO CCCCCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001215972910 855161863 /nfs/dbraw/zinc/16/18/63/855161863.db2.gz DBWRUGMTSYKKLF-HZPDHXFCSA-N 1 3 351.495 0.575 20 30 FCEDHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(CC)CCC#N)C1 ZINC001215994074 855163111 /nfs/dbraw/zinc/16/31/11/855163111.db2.gz OSVYYUNTKRGJQA-HZPDHXFCSA-N 1 3 351.495 0.527 20 30 FCEDHO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001216053459 855166281 /nfs/dbraw/zinc/16/62/81/855166281.db2.gz NUBNFBPTCPLGCA-IXDOHACOSA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@H]1C ZINC001216846676 855257935 /nfs/dbraw/zinc/25/79/35/855257935.db2.gz SYMINYOVNMFPNH-JFIYKMOQSA-N 1 3 350.507 0.846 20 30 FCEDHO CN(CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N)CC(C)(C)C ZINC001228623542 857219838 /nfs/dbraw/zinc/21/98/38/857219838.db2.gz CZWSTCHTNDXUEV-HUUCEWRRSA-N 1 3 351.495 0.621 20 30 FCEDHO CN(C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCN(C)C1=O ZINC000329465607 489007349 /nfs/dbraw/zinc/00/73/49/489007349.db2.gz VPUYETPOAKTHNA-INIZCTEOSA-N 1 3 351.495 0.622 20 30 FCEDHO COCCN1CC[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000330200296 489079383 /nfs/dbraw/zinc/07/93/83/489079383.db2.gz ADVPRRMVAKQSIG-HOTGVXAUSA-N 1 3 354.495 0.806 20 30 FCEDHO COCCN1CC[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000330200296 489079386 /nfs/dbraw/zinc/07/93/86/489079386.db2.gz ADVPRRMVAKQSIG-HOTGVXAUSA-N 1 3 354.495 0.806 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418755318 489722824 /nfs/dbraw/zinc/72/28/24/489722824.db2.gz FRSMPHGCCIJPJG-GOSISDBHSA-N 1 3 358.490 0.535 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420186402 489945285 /nfs/dbraw/zinc/94/52/85/489945285.db2.gz CJOWNXQGSJVKQI-ROUUACIJSA-N 1 3 371.485 0.692 20 30 FCEDHO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000518169329 490932209 /nfs/dbraw/zinc/93/22/09/490932209.db2.gz RQVKQBHNENXVSN-HXUWFJFHSA-N 1 3 360.502 0.939 20 30 FCEDHO CN(CCC#N)C[C@H](O)CNCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000518169329 490932211 /nfs/dbraw/zinc/93/22/11/490932211.db2.gz RQVKQBHNENXVSN-HXUWFJFHSA-N 1 3 360.502 0.939 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591419371 491805325 /nfs/dbraw/zinc/80/53/25/491805325.db2.gz XUMHXNQWLAAPRU-GOSISDBHSA-N 1 3 371.485 0.707 20 30 FCEDHO C[NH+]=C(NCCNc1ccncc1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261703171 526361828 /nfs/dbraw/zinc/36/18/28/526361828.db2.gz GJGNIQJEKBFPNH-GOSISDBHSA-N 1 3 373.461 0.379 20 30 FCEDHO CCN(CC)[C@H]1CCN(C(NCC2CCN(S(C)(=O)=O)CC2)=[NH+]C)C1 ZINC000261729427 528282515 /nfs/dbraw/zinc/28/25/15/528282515.db2.gz XWGOKYWQVKWLNP-INIZCTEOSA-N 1 3 373.567 0.650 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000264069098 529073993 /nfs/dbraw/zinc/07/39/93/529073993.db2.gz CPLAKLWWGQDFEV-ZIAGYGMSSA-N 1 3 364.446 0.544 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1S(=O)(=O)N(C)C ZINC000303785707 674571368 /nfs/dbraw/zinc/57/13/68/674571368.db2.gz QPKBZJDLOKNWNI-HNNXBMFYSA-N 1 3 367.519 0.826 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001104288980 1169388824 /nfs/dbraw/zinc/38/88/24/1169388824.db2.gz AXNLSMCVFOTPRL-BRWVUGGUSA-N 1 3 362.518 0.683 20 30 FCEDHO COCC#CCN1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001691575859 1192890637 /nfs/dbraw/zinc/89/06/37/1192890637.db2.gz GWQJNSXAPRZMNU-MSOLQXFVSA-N 1 3 363.502 0.527 20 30 FCEDHO C[C@@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001112529860 1186093003 /nfs/dbraw/zinc/09/30/03/1186093003.db2.gz RXUMDHDVGYKAJL-GJYPPUQNSA-N 1 3 361.490 0.186 20 30 FCEDHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H](CC#N)C[N+](C)(C)C ZINC001218292578 1224152678 /nfs/dbraw/zinc/15/26/78/1224152678.db2.gz YBWFYWCAJYBNSN-LLVKDONJSA-N 1 3 366.442 0.128 20 30 FCEDHO Cc1ncc(C#N)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218659254 1224192581 /nfs/dbraw/zinc/19/25/81/1224192581.db2.gz OWBKQLVRHDXYFI-HOCLYGCPSA-N 1 3 358.446 0.648 20 30 FCEDHO C=CCOCCN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130094873 1201498506 /nfs/dbraw/zinc/49/85/06/1201498506.db2.gz ULUFZJMMMHEPKY-SJORKVTESA-N 1 3 364.494 0.554 20 30 FCEDHO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)[NH+](C)C)[n-]1 ZINC001130220483 1201543052 /nfs/dbraw/zinc/54/30/52/1201543052.db2.gz AFHNGNRJIKAKND-ZNMIVQPWSA-N 1 3 362.478 0.247 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C2CC2)[NH+](C)C)[n-]1 ZINC001130220674 1201549636 /nfs/dbraw/zinc/54/96/36/1201549636.db2.gz INMSADONLSDKLM-DZKIICNBSA-N 1 3 362.478 0.409 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)[N@@H+](C)CC)[n-]1 ZINC001130221196 1201551325 /nfs/dbraw/zinc/55/13/25/1201551325.db2.gz ZAZNYVMIYNYANC-KBPBESRZSA-N 1 3 364.494 0.799 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)[N@H+](C)CC)[n-]1 ZINC001130221196 1201551327 /nfs/dbraw/zinc/55/13/27/1201551327.db2.gz ZAZNYVMIYNYANC-KBPBESRZSA-N 1 3 364.494 0.799 20 30 FCEDHO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001130305340 1201582155 /nfs/dbraw/zinc/58/21/55/1201582155.db2.gz UYMXCEDAVNGUJU-NZSAHSFTSA-N 1 3 362.518 0.681 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1c1cncn1C ZINC001131023062 1202847238 /nfs/dbraw/zinc/84/72/38/1202847238.db2.gz PJFBQMVDUHCKJO-QZTJIDSGSA-N 1 3 366.469 0.859 20 30 FCEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126146 1203015381 /nfs/dbraw/zinc/01/53/81/1203015381.db2.gz AZEGNEZUSVHFRI-JQHSSLGASA-N 1 3 356.470 0.176 20 30 FCEDHO C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126146 1203015387 /nfs/dbraw/zinc/01/53/87/1203015387.db2.gz AZEGNEZUSVHFRI-JQHSSLGASA-N 1 3 356.470 0.176 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@H]3C[N@H+](CCn4cncn4)C[C@@]3(C)C2)CC1 ZINC001092300344 1205233798 /nfs/dbraw/zinc/23/37/98/1205233798.db2.gz VSCLXSLTIWMOTP-QUCCMNQESA-N 1 3 370.501 0.404 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@H]3C[N@@H+](CCn4cncn4)C[C@@]3(C)C2)CC1 ZINC001092300344 1205233804 /nfs/dbraw/zinc/23/38/04/1205233804.db2.gz VSCLXSLTIWMOTP-QUCCMNQESA-N 1 3 370.501 0.404 20 30 FCEDHO C=CCN1CC[C@@H](N2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC001092936715 1205963041 /nfs/dbraw/zinc/96/30/41/1205963041.db2.gz HXDMNRGWFAIPDF-KBAYOESNSA-N 1 3 362.518 0.799 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185784529 1206485845 /nfs/dbraw/zinc/48/58/45/1206485845.db2.gz XBBVAWYWTGAGAE-QRVBRYPASA-N 1 3 370.497 0.825 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185784529 1206485846 /nfs/dbraw/zinc/48/58/46/1206485846.db2.gz XBBVAWYWTGAGAE-QRVBRYPASA-N 1 3 370.497 0.825 20 30 FCEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001070381587 1219406395 /nfs/dbraw/zinc/40/63/95/1219406395.db2.gz JOZHPWMMZIJLGM-MDYRTPRTSA-N 1 3 362.518 0.990 20 30 FCEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001070381587 1219406400 /nfs/dbraw/zinc/40/64/00/1219406400.db2.gz JOZHPWMMZIJLGM-MDYRTPRTSA-N 1 3 362.518 0.990 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+]([C@H](C)C(=O)NC)C[C@H]2C)CC1 ZINC001103752527 1220964561 /nfs/dbraw/zinc/96/45/61/1220964561.db2.gz KGZMDXNTXDAHCH-JFIYKMOQSA-N 1 3 362.518 0.540 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]2C)CC1 ZINC001103752527 1220964569 /nfs/dbraw/zinc/96/45/69/1220964569.db2.gz KGZMDXNTXDAHCH-JFIYKMOQSA-N 1 3 362.518 0.540 20 30 FCEDHO C=CCOCc1nn(C)c2c1CN(C(=O)[C@@H]1CCC3(CC[NH2+]CC3)N1)CC2 ZINC001159382878 1223125515 /nfs/dbraw/zinc/12/55/15/1223125515.db2.gz WMHHUMALPNMNPR-INIZCTEOSA-N 1 3 373.501 0.882 20 30 FCEDHO C=CCOCc1nn(C)c2c1CN(C(=O)[C@@H]1CCC3(CCNCC3)[NH2+]1)CC2 ZINC001159382878 1223125518 /nfs/dbraw/zinc/12/55/18/1223125518.db2.gz WMHHUMALPNMNPR-INIZCTEOSA-N 1 3 373.501 0.882 20 30 FCEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663754 1223930330 /nfs/dbraw/zinc/93/03/30/1223930330.db2.gz AVDYVGVZTSZKLJ-BRSBDYLESA-N 1 3 362.518 0.964 20 30 FCEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663754 1223930331 /nfs/dbraw/zinc/93/03/31/1223930331.db2.gz AVDYVGVZTSZKLJ-BRSBDYLESA-N 1 3 362.518 0.964 20 30 FCEDHO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214856233 1223948648 /nfs/dbraw/zinc/94/86/48/1223948648.db2.gz YNLRCJGOVKLVHW-SUMDDJOVSA-N 1 3 362.518 0.964 20 30 FCEDHO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1C ZINC001215539958 1224005357 /nfs/dbraw/zinc/00/53/57/1224005357.db2.gz FICIRGBAMHCWEC-CLCXKQKWSA-N 1 3 368.497 0.938 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215598743 1224008989 /nfs/dbraw/zinc/00/89/89/1224008989.db2.gz HSZWQMACKJJWFM-BRWVUGGUSA-N 1 3 366.506 0.226 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001078227413 1255342975 /nfs/dbraw/zinc/34/29/75/1255342975.db2.gz YQNCDPXCILCZNF-IPMKNSEASA-N 1 3 363.502 0.452 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001078227413 1255342984 /nfs/dbraw/zinc/34/29/84/1255342984.db2.gz YQNCDPXCILCZNF-IPMKNSEASA-N 1 3 363.502 0.452 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672464 1258937902 /nfs/dbraw/zinc/93/79/02/1258937902.db2.gz XEBFYZFKIUMPFB-IXDOHACOSA-N 1 3 364.534 0.786 20 30 FCEDHO CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106729626 1258949478 /nfs/dbraw/zinc/94/94/78/1258949478.db2.gz VNLGQGQVGRGHKB-BRWVUGGUSA-N 1 3 363.506 0.573 20 30 FCEDHO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001106909790 1258995019 /nfs/dbraw/zinc/99/50/19/1258995019.db2.gz MWDSEBCPQYBNLV-HUUCEWRRSA-N 1 3 367.494 0.024 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001107029080 1259020434 /nfs/dbraw/zinc/02/04/34/1259020434.db2.gz LTRRHDSPBJDTFK-VQIMIIECSA-N 1 3 370.497 0.795 20 30 FCEDHO CN(C)C(=O)CN1C[C@@H]2C(=O)NC3(CC[NH+](CCCCC#N)CC3)[C@H]2C1 ZINC001280186844 1261024351 /nfs/dbraw/zinc/02/43/51/1261024351.db2.gz WLBPDIIGXPDECF-HOTGVXAUSA-N 1 3 361.490 0.281 20 30 FCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(OCC#N)cc1 ZINC001338680419 1268038552 /nfs/dbraw/zinc/03/85/52/1268038552.db2.gz BDHKMWDNXMPCCJ-UHFFFAOYSA-N 1 3 361.446 0.479 20 30 FCEDHO COCC#CCN1CCC(N(Cc2c[nH]nn2)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001576952597 1273974183 /nfs/dbraw/zinc/97/41/83/1273974183.db2.gz IIODHJLTDAHIHZ-INIZCTEOSA-N 1 3 374.489 0.199 20 30 FCEDHO COCC#CCN1CCC(N(Cc2c[nH]nn2)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001576952597 1273974191 /nfs/dbraw/zinc/97/41/91/1273974191.db2.gz IIODHJLTDAHIHZ-INIZCTEOSA-N 1 3 374.489 0.199 20 30 FCEDHO C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001689091709 1294609838 /nfs/dbraw/zinc/60/98/38/1294609838.db2.gz ODRGCJZJTZPYSH-SQNIBIBYSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001689091709 1294609852 /nfs/dbraw/zinc/60/98/52/1294609852.db2.gz ODRGCJZJTZPYSH-SQNIBIBYSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001690896804 1294891361 /nfs/dbraw/zinc/89/13/61/1294891361.db2.gz IBUOTLBJGMNPRG-FGTMMUONSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001690896804 1294891372 /nfs/dbraw/zinc/89/13/72/1294891372.db2.gz IBUOTLBJGMNPRG-FGTMMUONSA-N 1 3 362.518 0.827 20 30 FCEDHO CC1CCN(CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC(=O)NCC#N)CC1 ZINC001691847261 1294940845 /nfs/dbraw/zinc/94/08/45/1294940845.db2.gz BQTGANAGTRSGHR-SJORKVTESA-N 1 3 363.506 0.575 20 30 FCEDHO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103084055 844697873 /nfs/dbraw/zinc/69/78/73/844697873.db2.gz WMEFZNDUJVQQGK-HZPDHXFCSA-N 1 3 350.507 0.847 20 30 FCEDHO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103084055 844697878 /nfs/dbraw/zinc/69/78/78/844697878.db2.gz WMEFZNDUJVQQGK-HZPDHXFCSA-N 1 3 350.507 0.847 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106336337 845159447 /nfs/dbraw/zinc/15/94/47/845159447.db2.gz JGLYICUWNKUIHG-OWCLPIDISA-N 1 3 350.507 0.539 20 30 FCEDHO C=C[C@@H](O)C[N@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276814782 861624912 /nfs/dbraw/zinc/62/49/12/861624912.db2.gz KHDWMMFWVGTLJZ-IEBWSBKVSA-N 1 3 350.507 0.238 20 30 FCEDHO C=C[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276814782 861624924 /nfs/dbraw/zinc/62/49/24/861624924.db2.gz KHDWMMFWVGTLJZ-IEBWSBKVSA-N 1 3 350.507 0.238 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH2+]CCCO)C2)CC1 ZINC001112209736 846466437 /nfs/dbraw/zinc/46/64/37/846466437.db2.gz GGJDCRKLBWYHMP-HUUCEWRRSA-N 1 3 361.408 0.693 20 30 FCEDHO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(C)C(C)C)CC1 ZINC001130307439 848998857 /nfs/dbraw/zinc/99/88/57/848998857.db2.gz PYTKUYABBBKVLS-APWZRJJASA-N 1 3 350.507 0.988 20 30 FCEDHO C=CCOC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277775309 862067428 /nfs/dbraw/zinc/06/74/28/862067428.db2.gz MUKPULLYCXBSMF-HKUYNNGSSA-N 1 3 353.507 0.816 20 30 FCEDHO C=CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277775309 862067443 /nfs/dbraw/zinc/06/74/43/862067443.db2.gz MUKPULLYCXBSMF-HKUYNNGSSA-N 1 3 353.507 0.816 20 30 FCEDHO C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754198 855232651 /nfs/dbraw/zinc/23/26/51/855232651.db2.gz KLQJJRPFUDJISM-IXDOHACOSA-N 1 3 350.507 0.799 20 30 FCEDHO C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754198 855232658 /nfs/dbraw/zinc/23/26/58/855232658.db2.gz KLQJJRPFUDJISM-IXDOHACOSA-N 1 3 350.507 0.799 20 30 FCEDHO C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001216835785 855253394 /nfs/dbraw/zinc/25/33/94/855253394.db2.gz GXKUOBPISDRTDK-IXDOHACOSA-N 1 3 350.507 0.990 20 30 FCEDHO C[NH+]=C(NCCN1CCOCC1)NCc1ccc(OCCN(C)C)cc1 ZINC000104162999 530039330 /nfs/dbraw/zinc/03/93/30/530039330.db2.gz FHDINAKYAQCUBF-UHFFFAOYSA-N 1 3 363.506 0.624 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000419566312 246204310 /nfs/dbraw/zinc/20/43/10/246204310.db2.gz GDKHOEFTCFPTJC-IXDOHACOSA-N 1 3 350.507 0.997 20 30 FCEDHO O=S1(=O)CC[C@H](CNC(NC2CCN(C3CC3)CC2)=[NH+]C2CC2)C1 ZINC000262440724 229306948 /nfs/dbraw/zinc/30/69/48/229306948.db2.gz UPKKABGGOSVTKA-CYBMUJFWSA-N 1 3 354.520 0.746 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(N2CCOCC2)CCSC1 ZINC000303880453 488893144 /nfs/dbraw/zinc/89/31/44/488893144.db2.gz KGTMVRZBDVUDKN-RDJZCZTQSA-N 1 3 355.552 0.583 20 30 FCEDHO CO[C@H]1C[C@@H](CO)N(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000329126843 488971753 /nfs/dbraw/zinc/97/17/53/488971753.db2.gz MUCWDFNLQRYTHW-IRXDYDNUSA-N 1 3 354.495 0.541 20 30 FCEDHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H](CO)C3CCOCC3)CC2)CC1 ZINC000329474323 489007795 /nfs/dbraw/zinc/00/77/95/489007795.db2.gz STBADIPRWJPBJE-GOSISDBHSA-N 1 3 368.522 0.836 20 30 FCEDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCn1cnc(C#N)n1 ZINC000510609469 490527985 /nfs/dbraw/zinc/52/79/85/490527985.db2.gz ZFLRIBSWVGQDHH-OAHLLOKOSA-N 1 3 362.482 0.207 20 30 FCEDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCn1cnc(C#N)n1 ZINC000510609469 490527988 /nfs/dbraw/zinc/52/79/88/490527988.db2.gz ZFLRIBSWVGQDHH-OAHLLOKOSA-N 1 3 362.482 0.207 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000572501749 491374967 /nfs/dbraw/zinc/37/49/67/491374967.db2.gz KMZVVOSHJXKWOQ-UHFFFAOYSA-N 1 3 371.485 0.564 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)C(C)C ZINC000568372880 491572454 /nfs/dbraw/zinc/57/24/54/491572454.db2.gz BUBAWFFOLQSAHK-DLBZAZTESA-N 1 3 350.507 0.999 20 30 FCEDHO O=C(NCC#CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[C@@H]1CCCN1C1CC1 ZINC000683869567 493375817 /nfs/dbraw/zinc/37/58/17/493375817.db2.gz QWDRXWWFBDZPNM-ROUUACIJSA-N 1 3 358.486 0.476 20 30 FCEDHO O=C(NCC#CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@@H]1CCCN1C1CC1 ZINC000683869567 493375822 /nfs/dbraw/zinc/37/58/22/493375822.db2.gz QWDRXWWFBDZPNM-ROUUACIJSA-N 1 3 358.486 0.476 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1N1CCN(C)CC1 ZINC000264081515 529101298 /nfs/dbraw/zinc/10/12/98/529101298.db2.gz HNMWELRVULTEML-KRWDZBQOSA-N 1 3 359.522 0.722 20 30 FCEDHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112529515 1186083335 /nfs/dbraw/zinc/08/33/35/1186083335.db2.gz CSVNVCKMGFPSPA-BXWFABGCSA-N 1 3 361.490 0.329 20 30 FCEDHO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1=O ZINC001075887617 1191135982 /nfs/dbraw/zinc/13/59/82/1191135982.db2.gz XLNRNNAEGDVJFP-RYQLBKOJSA-N 1 3 360.502 0.790 20 30 FCEDHO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CN(C)C4CCC4)[C@@H]3C2)C1=O ZINC001075887617 1191135984 /nfs/dbraw/zinc/13/59/84/1191135984.db2.gz XLNRNNAEGDVJFP-RYQLBKOJSA-N 1 3 360.502 0.790 20 30 FCEDHO C[NH+]=C(NCc1ccnc(N2CCN(C)CC2)c1)N[C@H]1CCN(C2CC2)C1 ZINC000083167541 1193731241 /nfs/dbraw/zinc/73/12/41/1193731241.db2.gz SKMNYRQRZCUUCD-KRWDZBQOSA-N 1 3 371.533 0.735 20 30 FCEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(C)C ZINC000911203820 1195913257 /nfs/dbraw/zinc/91/32/57/1195913257.db2.gz JUWRXQHRRIPZHV-KSZLIROESA-N 1 3 362.518 0.869 20 30 FCEDHO C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455444 1197936708 /nfs/dbraw/zinc/93/67/08/1197936708.db2.gz UGCGTWOFUZFKME-QUJXQBBWSA-N 1 3 363.502 0.736 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001129892154 1201416102 /nfs/dbraw/zinc/41/61/02/1201416102.db2.gz KMJBWPYQAGSGFS-IXDOHACOSA-N 1 3 362.478 0.162 20 30 FCEDHO C=CCN[C@@H]1CN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130009326 1201477635 /nfs/dbraw/zinc/47/76/35/1201477635.db2.gz JLIWYMQVSNSADN-ZACQAIPSSA-N 1 3 362.478 0.307 20 30 FCEDHO C=CCOCCN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086139 1201494238 /nfs/dbraw/zinc/49/42/38/1201494238.db2.gz NENIJJSPAXAFIL-ZACQAIPSSA-N 1 3 362.478 0.164 20 30 FCEDHO C=CCOCCN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086139 1201494243 /nfs/dbraw/zinc/49/42/43/1201494243.db2.gz NENIJJSPAXAFIL-ZACQAIPSSA-N 1 3 362.478 0.164 20 30 FCEDHO C=CCOCCN[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096475 1201499173 /nfs/dbraw/zinc/49/91/73/1201499173.db2.gz HUSAWQTYHFAAJI-SJORKVTESA-N 1 3 364.494 0.554 20 30 FCEDHO C=CCOCCN[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096475 1201499176 /nfs/dbraw/zinc/49/91/76/1201499176.db2.gz HUSAWQTYHFAAJI-SJORKVTESA-N 1 3 364.494 0.554 20 30 FCEDHO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCC[NH+](C)C)n[n-]2)O1 ZINC001130817618 1202808561 /nfs/dbraw/zinc/80/85/61/1202808561.db2.gz WFRMUHJVECDCEU-LSDHHAIUSA-N 1 3 362.478 0.596 20 30 FCEDHO C=CCOCC[N@H+]1C[C@@H](NC(=O)CN(C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372713 1224846866 /nfs/dbraw/zinc/84/68/66/1224846866.db2.gz ICLRYGBXBCAJDZ-MOPGFXCFSA-N 1 3 361.486 0.525 20 30 FCEDHO C=CCOCC[N@@H+]1C[C@@H](NC(=O)CN(C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372713 1224846867 /nfs/dbraw/zinc/84/68/67/1224846867.db2.gz ICLRYGBXBCAJDZ-MOPGFXCFSA-N 1 3 361.486 0.525 20 30 FCEDHO C=CCOCCN1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372713 1224846869 /nfs/dbraw/zinc/84/68/69/1224846869.db2.gz ICLRYGBXBCAJDZ-MOPGFXCFSA-N 1 3 361.486 0.525 20 30 FCEDHO C=CCOCCN1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372713 1224846873 /nfs/dbraw/zinc/84/68/73/1224846873.db2.gz ICLRYGBXBCAJDZ-MOPGFXCFSA-N 1 3 361.486 0.525 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCn3cncn3)C2)CC1 ZINC001086882487 1204856498 /nfs/dbraw/zinc/85/64/98/1204856498.db2.gz SPRCLPKWFYDXSQ-FUHWJXTLSA-N 1 3 358.490 0.498 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092299580 1205233405 /nfs/dbraw/zinc/23/34/05/1205233405.db2.gz CFMGVHNWPBHAFT-HLIPFELVSA-N 1 3 358.486 0.000 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092299580 1205233409 /nfs/dbraw/zinc/23/34/09/1205233409.db2.gz CFMGVHNWPBHAFT-HLIPFELVSA-N 1 3 358.486 0.000 20 30 FCEDHO C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)C1=O ZINC001093287333 1206073081 /nfs/dbraw/zinc/07/30/81/1206073081.db2.gz KYRRHAHMMPMRGL-INMHGKMJSA-N 1 3 359.474 0.813 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)CC1 ZINC000884643057 1210770360 /nfs/dbraw/zinc/77/03/60/1210770360.db2.gz WBSCRHGTTUMXIY-LJQANCHMSA-N 1 3 370.497 0.974 20 30 FCEDHO C#CCN(C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@H+]2CC)C1)C1CCN(C)CC1 ZINC000886581056 1210832642 /nfs/dbraw/zinc/83/26/42/1210832642.db2.gz IQIVYMXWXMUSGW-HKUYNNGSSA-N 1 3 374.529 0.875 20 30 FCEDHO C#CCN(C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)C1CCN(C)CC1 ZINC000886581056 1210832645 /nfs/dbraw/zinc/83/26/45/1210832645.db2.gz IQIVYMXWXMUSGW-HKUYNNGSSA-N 1 3 374.529 0.875 20 30 FCEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110831409 1210986982 /nfs/dbraw/zinc/98/69/82/1210986982.db2.gz YRUQKPTWTYOOTM-COXLTSFISA-N 1 3 361.486 0.774 20 30 FCEDHO C=CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110831409 1210986985 /nfs/dbraw/zinc/98/69/85/1210986985.db2.gz YRUQKPTWTYOOTM-COXLTSFISA-N 1 3 361.486 0.774 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926296406 1211528219 /nfs/dbraw/zinc/52/82/19/1211528219.db2.gz CUQGSTJYOVXPCB-SFHVURJKSA-N 1 3 371.485 0.646 20 30 FCEDHO CCOC(=O)[C@@H]1CN(CC[NH+](C)C)C(=O)C12CCN(CCCC#N)CC2 ZINC001276951081 1225760511 /nfs/dbraw/zinc/76/05/11/1225760511.db2.gz DEEQBTUZZZWWJA-INIZCTEOSA-N 1 3 364.490 0.955 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804057872 1219110674 /nfs/dbraw/zinc/11/06/74/1219110674.db2.gz CEBOFANYWNMPKC-DLBZAZTESA-N 1 3 364.490 0.123 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2n2ccnn2)CC1 ZINC001070102560 1219177370 /nfs/dbraw/zinc/17/73/70/1219177370.db2.gz QOSDBCPRYQDUGC-MOPGFXCFSA-N 1 3 370.501 0.765 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2n2ccnn2)CC1 ZINC001070102560 1219177371 /nfs/dbraw/zinc/17/73/71/1219177371.db2.gz QOSDBCPRYQDUGC-MOPGFXCFSA-N 1 3 370.501 0.765 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001103004937 1220819084 /nfs/dbraw/zinc/81/90/84/1220819084.db2.gz GOSVXWWQRKQHCF-ZJPYXAASSA-N 1 3 362.518 0.540 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001103004937 1220819085 /nfs/dbraw/zinc/81/90/85/1220819085.db2.gz GOSVXWWQRKQHCF-ZJPYXAASSA-N 1 3 362.518 0.540 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001103103277 1220834041 /nfs/dbraw/zinc/83/40/41/1220834041.db2.gz BKTZSAIBYNSPGY-KZNAEPCWSA-N 1 3 362.518 0.684 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001103103277 1220834043 /nfs/dbraw/zinc/83/40/43/1220834043.db2.gz BKTZSAIBYNSPGY-KZNAEPCWSA-N 1 3 362.518 0.684 20 30 FCEDHO CN(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C1CC1 ZINC001112399244 1221252716 /nfs/dbraw/zinc/25/27/16/1221252716.db2.gz JINGSEJHXBTZIM-WDYCEAGBSA-N 1 3 361.490 0.185 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN(C)C1CCC1)C2 ZINC001112401382 1221252743 /nfs/dbraw/zinc/25/27/43/1221252743.db2.gz AVAZVMCYZZFSBJ-JXFKEZNVSA-N 1 3 360.502 0.438 20 30 FCEDHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@@H](N)c1ccc(C#N)cc1)CC2 ZINC001161481005 1223200934 /nfs/dbraw/zinc/20/09/34/1223200934.db2.gz QTGGCSVMVWRARO-MDZRGWNJSA-N 1 3 356.426 0.702 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070767 1223513624 /nfs/dbraw/zinc/51/36/24/1223513624.db2.gz RDERDZGDJVPURE-IXDOHACOSA-N 1 3 363.506 0.669 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070767 1223513627 /nfs/dbraw/zinc/51/36/27/1223513627.db2.gz RDERDZGDJVPURE-IXDOHACOSA-N 1 3 363.506 0.669 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216326495 1224044278 /nfs/dbraw/zinc/04/42/78/1224044278.db2.gz GNFOPENUDWDOKH-CRAIPNDOSA-N 1 3 362.518 0.847 20 30 FCEDHO CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1 ZINC001216348398 1224045826 /nfs/dbraw/zinc/04/58/26/1224045826.db2.gz KXZQWGKOWIBLNN-IAGOWNOFSA-N 1 3 365.522 0.965 20 30 FCEDHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216841233 1224077969 /nfs/dbraw/zinc/07/79/69/1224077969.db2.gz RBENIUHEJDNDPI-RHSMWYFYSA-N 1 3 357.458 0.438 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCC3)C[C@H]2O)CC1 ZINC001078227054 1255339213 /nfs/dbraw/zinc/33/92/13/1255339213.db2.gz HAJRLGZABWBNHM-GUDVDZBRSA-N 1 3 363.502 0.308 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@H]2O)CC1 ZINC001078227054 1255339218 /nfs/dbraw/zinc/33/92/18/1255339218.db2.gz HAJRLGZABWBNHM-GUDVDZBRSA-N 1 3 363.502 0.308 20 30 FCEDHO C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)C1=O ZINC001082783850 1257047755 /nfs/dbraw/zinc/04/77/55/1257047755.db2.gz TWKXKEUKUZPHQG-BPQIPLTHSA-N 1 3 362.518 0.942 20 30 FCEDHO C#CCCCN1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C[C@@H]1C ZINC001279749947 1260927691 /nfs/dbraw/zinc/92/76/91/1260927691.db2.gz OHOJQTNXCBVJGQ-HNNXBMFYSA-N 1 3 358.490 0.762 20 30 FCEDHO C=CCOCCNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC001327458874 1265329658 /nfs/dbraw/zinc/32/96/58/1265329658.db2.gz IWIPRFVEGQXYFS-UHFFFAOYSA-N 1 3 374.485 0.415 20 30 FCEDHO CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C ZINC001103156738 844711826 /nfs/dbraw/zinc/71/18/26/844711826.db2.gz UFQNWKQXDWXOND-HUUCEWRRSA-N 1 3 351.495 0.431 20 30 FCEDHO CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C ZINC001103156738 844711830 /nfs/dbraw/zinc/71/18/30/844711830.db2.gz UFQNWKQXDWXOND-HUUCEWRRSA-N 1 3 351.495 0.431 20 30 FCEDHO C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CN(C)CCC)C[C@H]2C)C1=O ZINC001106910579 845284243 /nfs/dbraw/zinc/28/42/43/845284243.db2.gz DYYYZSVIXFFHCL-ZACQAIPSSA-N 1 3 350.507 0.799 20 30 FCEDHO C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](F)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001129878989 848906910 /nfs/dbraw/zinc/90/69/10/848906910.db2.gz MSTGLZGJTWYFQN-XHSDSOJGSA-N 1 3 350.442 0.323 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@@H]1n1ccnn1 ZINC001130047910 848936024 /nfs/dbraw/zinc/93/60/24/848936024.db2.gz ZAQXRQKITZWPGY-CVEARBPZSA-N 1 3 350.467 0.164 20 30 FCEDHO C#CCOC[C@H](O)C[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277713544 862026147 /nfs/dbraw/zinc/02/61/47/862026147.db2.gz VMNSSXZWPSUYTA-IEBWSBKVSA-N 1 3 351.491 0.263 20 30 FCEDHO C#CCOC[C@H](O)C[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277713544 862026162 /nfs/dbraw/zinc/02/61/62/862026162.db2.gz VMNSSXZWPSUYTA-IEBWSBKVSA-N 1 3 351.491 0.263 20 30 FCEDHO C=CCN1C(=O)CC[C@]12CCCN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001159653115 850128127 /nfs/dbraw/zinc/12/81/27/850128127.db2.gz OSSLNSZXFUOAGN-YOEHRIQHSA-N 1 3 354.520 0.565 20 30 FCEDHO C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161536910 850270014 /nfs/dbraw/zinc/27/00/14/850270014.db2.gz LJZDXFCKDRCJSY-HUUCEWRRSA-N 1 3 350.463 0.764 20 30 FCEDHO C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161536910 850270026 /nfs/dbraw/zinc/27/00/26/850270026.db2.gz LJZDXFCKDRCJSY-HUUCEWRRSA-N 1 3 350.463 0.764 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC001215774348 855144759 /nfs/dbraw/zinc/14/47/59/855144759.db2.gz MLODKTMFJJLGQJ-IXDOHACOSA-N 1 3 350.507 0.990 20 30 FCEDHO C=CCCN1C[C@H]2OCCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650925 855458356 /nfs/dbraw/zinc/45/83/56/855458356.db2.gz PNMLKSHFVFEVML-OKZBNKHCSA-N 1 3 351.491 0.975 20 30 FCEDHO CCN(CC)C[C@H](F)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001226564601 857109820 /nfs/dbraw/zinc/10/98/20/857109820.db2.gz MBYXAQBATFZBSM-RRFJBIMHSA-N 1 3 355.458 0.323 20 30 FCEDHO COc1ccc(C#N)c(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238239089 857465330 /nfs/dbraw/zinc/46/53/30/857465330.db2.gz BMUHDWXXWFIESY-CQSZACIVSA-N 1 3 364.471 0.719 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000419566310 246204678 /nfs/dbraw/zinc/20/46/78/246204678.db2.gz GDKHOEFTCFPTJC-GVDBMIGSSA-N 1 3 350.507 0.997 20 30 FCEDHO COc1ccc(CCNC(=[NH2+])NCCCN2CCC(O)CC2)cc1OC ZINC000264115480 533477402 /nfs/dbraw/zinc/47/74/02/533477402.db2.gz SJYJACZABMRDNI-UHFFFAOYSA-N 1 3 364.490 0.997 20 30 FCEDHO CCOC(=O)N1CCC(NC(=[NH2+])NCCN2CCCN(C)CC2)CC1 ZINC000303903936 488893184 /nfs/dbraw/zinc/89/31/84/488893184.db2.gz YNANWGDYPSMPRG-UHFFFAOYSA-N 1 3 354.499 0.149 20 30 FCEDHO C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330205343 489080156 /nfs/dbraw/zinc/08/01/56/489080156.db2.gz DJPNHLMGJXIIKJ-VDHUWJSZSA-N 1 3 368.522 0.665 20 30 FCEDHO COCCN(C)CCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000370377421 489351442 /nfs/dbraw/zinc/35/14/42/489351442.db2.gz REYRQFSUBYMSFY-OAHLLOKOSA-N 1 3 369.510 0.835 20 30 FCEDHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000423075896 490536328 /nfs/dbraw/zinc/53/63/28/490536328.db2.gz PQFTWJUPXCZBAX-QGZVFWFLSA-N 1 3 357.458 0.269 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000557733182 491394340 /nfs/dbraw/zinc/39/43/40/491394340.db2.gz OVBPLMUSPXOFJA-MRXNPFEDSA-N 1 3 350.507 0.991 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000591423283 491805304 /nfs/dbraw/zinc/80/53/04/491805304.db2.gz HFCVLCUYMHGBMU-SFHVURJKSA-N 1 3 371.485 0.707 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601583971 491936965 /nfs/dbraw/zinc/93/69/65/491936965.db2.gz ZRMCDUKDTONMHK-IRXDYDNUSA-N 1 3 355.442 0.021 20 30 FCEDHO CCOC1CC(CNC(=[NH2+])NC[C@H]2CCCN2CC)(N2CCOCC2)C1 ZINC000193827529 528480649 /nfs/dbraw/zinc/48/06/49/528480649.db2.gz AWOORWPWJCJOEJ-LRYGQEGESA-N 1 3 367.538 0.645 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419853349 535861005 /nfs/dbraw/zinc/86/10/05/535861005.db2.gz AOVBVUDMJDUAHX-KRWDZBQOSA-N 1 3 357.458 0.302 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419892494 535861356 /nfs/dbraw/zinc/86/13/56/535861356.db2.gz OHGPXGIXPLDIGZ-QGZVFWFLSA-N 1 3 357.458 0.317 20 30 FCEDHO C=C(C)CCN1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083220993 1170585232 /nfs/dbraw/zinc/58/52/32/1170585232.db2.gz FBYZOKNSYKMASJ-ZWKOTPCHSA-N 1 3 361.490 0.936 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001087249281 1180026003 /nfs/dbraw/zinc/02/60/03/1180026003.db2.gz SXWAIOLDKCEIDH-BPQIPLTHSA-N 1 3 360.502 0.437 20 30 FCEDHO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@H]1C)C2 ZINC001112529477 1186082622 /nfs/dbraw/zinc/08/26/22/1186082622.db2.gz AYBYFBMRCZSFKX-UWVAXJGDSA-N 1 3 362.518 0.991 20 30 FCEDHO C[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106133952 1197181457 /nfs/dbraw/zinc/18/14/57/1197181457.db2.gz SFRDVIHSOULJBY-HZPDHXFCSA-N 1 3 363.506 0.575 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@H](C)C2)[n-]1 ZINC001130238005 1201560072 /nfs/dbraw/zinc/56/00/72/1201560072.db2.gz NYZRDHXVPFNRKL-KKUMJFAQSA-N 1 3 362.478 0.411 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)[n-]1 ZINC001130238005 1201560077 /nfs/dbraw/zinc/56/00/77/1201560077.db2.gz NYZRDHXVPFNRKL-KKUMJFAQSA-N 1 3 362.478 0.411 20 30 FCEDHO C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+](CC)CC)[n-]1 ZINC001130242303 1201562716 /nfs/dbraw/zinc/56/27/16/1201562716.db2.gz QHWWOZJJZDNCMV-GJZGRUSLSA-N 1 3 364.494 0.801 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130719552 1202765992 /nfs/dbraw/zinc/76/59/92/1202765992.db2.gz XTTLIAJGQOANGH-FUHWJXTLSA-N 1 3 363.506 0.849 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1c1cncn1C ZINC001131130173 1202868679 /nfs/dbraw/zinc/86/86/79/1202868679.db2.gz CDECFEQSLLIWOF-IAGOWNOFSA-N 1 3 363.506 0.847 20 30 FCEDHO C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220128459 1224781194 /nfs/dbraw/zinc/78/11/94/1224781194.db2.gz FXHJTIJYXHWNJL-FUHIMQAGSA-N 1 3 357.454 0.642 20 30 FCEDHO C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001188971608 1207493105 /nfs/dbraw/zinc/49/31/05/1207493105.db2.gz YAFJUVVRHGTPHF-GVDBMIGSSA-N 1 3 360.502 0.648 20 30 FCEDHO C=C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276815429 1225018305 /nfs/dbraw/zinc/01/83/05/1225018305.db2.gz PTHOBRNOMXAONH-ROUUACIJSA-N 1 3 364.534 0.389 20 30 FCEDHO C#CCCC1(CCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])N=N1 ZINC001221409027 1225307388 /nfs/dbraw/zinc/30/73/88/1225307388.db2.gz MCRHJQHIUJHEJG-GJZGRUSLSA-N 1 3 362.478 0.516 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000950431673 1212574984 /nfs/dbraw/zinc/57/49/84/1212574984.db2.gz HCFRIGFIEMGQHQ-KBAYOESNSA-N 1 3 360.502 0.389 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000950431673 1212574988 /nfs/dbraw/zinc/57/49/88/1212574988.db2.gz HCFRIGFIEMGQHQ-KBAYOESNSA-N 1 3 360.502 0.389 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1c1cncn1C ZINC001070648896 1219507100 /nfs/dbraw/zinc/50/71/00/1219507100.db2.gz CIXBCQBGJTXLNG-NVXWUHKLSA-N 1 3 369.473 0.009 20 30 FCEDHO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N)N1CCCCCC1 ZINC001228925451 1225963498 /nfs/dbraw/zinc/96/34/98/1225963498.db2.gz WKUOITRHRLWCFE-GVDBMIGSSA-N 1 3 363.506 0.908 20 30 FCEDHO C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213813 1220557728 /nfs/dbraw/zinc/55/77/28/1220557728.db2.gz SYXMNNUMDIZZBF-IXDOHACOSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596397 1220718391 /nfs/dbraw/zinc/71/83/91/1220718391.db2.gz CYJBTIDYBPZWKJ-KZNAEPCWSA-N 1 3 362.518 0.684 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001103103276 1220833254 /nfs/dbraw/zinc/83/32/54/1220833254.db2.gz BKTZSAIBYNSPGY-KURKYZTESA-N 1 3 362.518 0.684 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001103103276 1220833256 /nfs/dbraw/zinc/83/32/56/1220833256.db2.gz BKTZSAIBYNSPGY-KURKYZTESA-N 1 3 362.518 0.684 20 30 FCEDHO CN(C)C1(C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)CCC1 ZINC001112397049 1221252094 /nfs/dbraw/zinc/25/20/94/1221252094.db2.gz QIIYJJPJVNMEOY-YJBOKZPZSA-N 1 3 361.490 0.329 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N(C)CC)CC1 ZINC001230251741 1226068125 /nfs/dbraw/zinc/06/81/25/1226068125.db2.gz GYHTZLUJWUISOQ-QZTJIDSGSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC001230252028 1226068833 /nfs/dbraw/zinc/06/88/33/1226068833.db2.gz XCOPZFCIDWKKSY-CGTJXYLNSA-N 1 3 362.518 0.825 20 30 FCEDHO C#CC[N@@H+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000836490045 1222625324 /nfs/dbraw/zinc/62/53/24/1222625324.db2.gz DFGZPMFAEXUROB-ALOPSCKCSA-N 1 3 363.506 0.324 20 30 FCEDHO C#CC[N@H+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000836490045 1222625331 /nfs/dbraw/zinc/62/53/31/1222625331.db2.gz DFGZPMFAEXUROB-ALOPSCKCSA-N 1 3 363.506 0.324 20 30 FCEDHO CC#CCN1CCC2(CN(C(=O)COCC[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001205516354 1223329795 /nfs/dbraw/zinc/32/97/95/1223329795.db2.gz AFLFJZIXLJESDW-ZWKOTPCHSA-N 1 3 363.502 0.527 20 30 FCEDHO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861661 1223949249 /nfs/dbraw/zinc/94/92/49/1223949249.db2.gz ZSTFZUABSIMQIM-NVXWUHKLSA-N 1 3 363.506 0.669 20 30 FCEDHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1NCC(=O)NCC#N ZINC001215223839 1223983816 /nfs/dbraw/zinc/98/38/16/1223983816.db2.gz BIXJQRTZPJZMOX-HZPDHXFCSA-N 1 3 363.506 0.575 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C ZINC001216829462 1224076115 /nfs/dbraw/zinc/07/61/15/1224076115.db2.gz XRLHWTPJIZWRBU-JTDSTZFVSA-N 1 3 370.497 0.936 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](CCCC)C(N)=O)C2)CC1 ZINC001216843040 1224077909 /nfs/dbraw/zinc/07/79/09/1224077909.db2.gz SLDTYOSJLNBKNW-KBAYOESNSA-N 1 3 362.518 0.812 20 30 FCEDHO CC(C)[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(=O)NCC#N)C1)[NH+]1CCCCC1 ZINC001216844710 1224078497 /nfs/dbraw/zinc/07/84/97/1224078497.db2.gz IZOJZJSFAWVXJQ-JFIYKMOQSA-N 1 3 363.506 0.573 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C[C@H]1C ZINC001216846615 1224078622 /nfs/dbraw/zinc/07/86/22/1224078622.db2.gz OPTFUGZALHFYFU-ZHALLVOQSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCOC3)C[C@H]2OC)CC1 ZINC001082384185 1256735308 /nfs/dbraw/zinc/73/53/08/1256735308.db2.gz HPWBWQKFQNHPTM-BHIYHBOVSA-N 1 3 363.502 0.574 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2OC)CC1 ZINC001082384185 1256735312 /nfs/dbraw/zinc/73/53/12/1256735312.db2.gz HPWBWQKFQNHPTM-BHIYHBOVSA-N 1 3 363.502 0.574 20 30 FCEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C)C1=O ZINC001082822263 1257081790 /nfs/dbraw/zinc/08/17/90/1257081790.db2.gz URDGXKCPKUXAQI-FGTMMUONSA-N 1 3 362.518 0.942 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCCC3)C2)CC1 ZINC001082940940 1257159430 /nfs/dbraw/zinc/15/94/30/1257159430.db2.gz CLCYLLRVXFSUDV-SJLPKXTDSA-N 1 3 360.502 0.391 20 30 FCEDHO C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001107033829 1259020935 /nfs/dbraw/zinc/02/09/35/1259020935.db2.gz CHPULSREMMJORB-NVXWUHKLSA-N 1 3 371.485 0.686 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2ccccc2CN(C)C)C[C@H]1C ZINC001107034041 1259022167 /nfs/dbraw/zinc/02/21/67/1259022167.db2.gz GCCUPJVJBWKYEC-SJLPKXTDSA-N 1 3 370.497 0.795 20 30 FCEDHO C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211669352 1259426623 /nfs/dbraw/zinc/42/66/23/1259426623.db2.gz WBEAQRIHMGISGK-NZSAHSFTSA-N 1 3 370.497 0.660 20 30 FCEDHO COC(=O)[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12C[NH2+]C2 ZINC001578792061 1276276524 /nfs/dbraw/zinc/27/65/24/1276276524.db2.gz SDLCWSTWBRENOB-HOTGVXAUSA-N 1 3 352.394 0.462 20 30 FCEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001104294383 844891735 /nfs/dbraw/zinc/89/17/35/844891735.db2.gz MSJHRLXHNIJYHA-HZPDHXFCSA-N 1 3 350.507 0.847 20 30 FCEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001104679117 844932475 /nfs/dbraw/zinc/93/24/75/844932475.db2.gz GTKQWDQEECJHQO-BRWVUGGUSA-N 1 3 350.507 0.705 20 30 FCEDHO C=CCOCc1nn(C)c2c1CN(C(=O)[C@@H](N)CSCC[NH3+])CC2 ZINC001159387536 850110705 /nfs/dbraw/zinc/11/07/05/850110705.db2.gz CJCLEAMPTJBUDV-ZDUSSCGKSA-N 1 3 353.492 0.027 20 30 FCEDHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCC#CCOC)C2)CC[N@@H+]1C ZINC001200554736 853502220 /nfs/dbraw/zinc/50/22/20/853502220.db2.gz MBSPKPRQROCWBR-OKZBNKHCSA-N 1 3 351.491 0.574 20 30 FCEDHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](CNCC#CCOC)C2)CC[N@H+]1C ZINC001200554736 853502227 /nfs/dbraw/zinc/50/22/27/853502227.db2.gz MBSPKPRQROCWBR-OKZBNKHCSA-N 1 3 351.491 0.574 20 30 FCEDHO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000423068932 246956885 /nfs/dbraw/zinc/95/68/85/246956885.db2.gz AHZRJSUVMLQKTF-QAPCUYQASA-N 1 3 371.485 0.644 20 30 FCEDHO COCCn1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000328737111 488933898 /nfs/dbraw/zinc/93/38/98/488933898.db2.gz KBWINYWRTLARTN-UHFFFAOYSA-N 1 3 364.494 1.414 20 30 FCEDHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000114501973 488540831 /nfs/dbraw/zinc/54/08/31/488540831.db2.gz MTLWRLMHLAFWPZ-QGZVFWFLSA-N 1 3 373.501 0.865 20 30 FCEDHO COCCN1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000329285456 488989462 /nfs/dbraw/zinc/98/94/62/488989462.db2.gz OIKAKMJXIYZFOG-KSZLIROESA-N 1 3 368.522 0.979 20 30 FCEDHO C#CCCN1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000369752928 489270570 /nfs/dbraw/zinc/27/05/70/489270570.db2.gz LTMABUIMJFLLKH-IEBWSBKVSA-N 1 3 374.529 0.923 20 30 FCEDHO C#CCCN1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000369752928 489270572 /nfs/dbraw/zinc/27/05/72/489270572.db2.gz LTMABUIMJFLLKH-IEBWSBKVSA-N 1 3 374.529 0.923 20 30 FCEDHO COCCN(C)CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000370377420 489351351 /nfs/dbraw/zinc/35/13/51/489351351.db2.gz REYRQFSUBYMSFY-HNNXBMFYSA-N 1 3 369.510 0.835 20 30 FCEDHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC000420121427 489919866 /nfs/dbraw/zinc/91/98/66/489919866.db2.gz KOEIYEWQQAAQAI-QAPCUYQASA-N 1 3 371.485 0.705 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423073543 490536467 /nfs/dbraw/zinc/53/64/67/490536467.db2.gz JALALMWFVIWALA-QGZVFWFLSA-N 1 3 357.458 0.398 20 30 FCEDHO C[NH2+]CCCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000423078349 490536513 /nfs/dbraw/zinc/53/65/13/490536513.db2.gz VTKNYNFLIKOVIB-UHFFFAOYSA-N 1 3 359.474 0.516 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000575757180 491558761 /nfs/dbraw/zinc/55/87/61/491558761.db2.gz HVYMSLYUXRQWKT-UHFFFAOYSA-N 1 3 350.507 0.990 20 30 FCEDHO C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@H](N2CCCCC2)C1 ZINC000262420967 526355944 /nfs/dbraw/zinc/35/59/44/526355944.db2.gz BAAMWUAIAVNRRV-HNNXBMFYSA-N 1 3 357.524 0.158 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419892493 535860106 /nfs/dbraw/zinc/86/01/06/535860106.db2.gz OHGPXGIXPLDIGZ-KRWDZBQOSA-N 1 3 357.458 0.317 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000550630270 547092980 /nfs/dbraw/zinc/09/29/80/547092980.db2.gz ZJRCNCIHEULDQM-UHFFFAOYSA-N 1 3 350.507 0.991 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)CC1 ZINC000553674989 547299542 /nfs/dbraw/zinc/29/95/42/547299542.db2.gz NOGPIWAPCXAHKE-INIZCTEOSA-N 1 3 350.507 0.943 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)CC1 ZINC000553674989 547299543 /nfs/dbraw/zinc/29/95/43/547299543.db2.gz NOGPIWAPCXAHKE-INIZCTEOSA-N 1 3 350.507 0.943 20 30 FCEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](F)CN(CC)CC)C[C@H]1C ZINC001104256663 1168815737 /nfs/dbraw/zinc/81/57/37/1168815737.db2.gz KMFIHCIULVXECO-BRWVUGGUSA-N 1 3 368.497 0.490 20 30 FCEDHO C[N@@H+]1C[C@H](C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001266549671 1169324610 /nfs/dbraw/zinc/32/46/10/1169324610.db2.gz AUOSEXVFVCOOHG-KSZLIROESA-N 1 3 369.469 0.162 20 30 FCEDHO C[N@H+]1C[C@H](C(=O)N2CC[C@H](NCC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001266549671 1169324622 /nfs/dbraw/zinc/32/46/22/1169324622.db2.gz AUOSEXVFVCOOHG-KSZLIROESA-N 1 3 369.469 0.162 20 30 FCEDHO C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691356032 1171193766 /nfs/dbraw/zinc/19/37/66/1171193766.db2.gz FIZMFBCDDMBHAR-BPQIPLTHSA-N 1 3 362.518 0.847 20 30 FCEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001083283566 1182496673 /nfs/dbraw/zinc/49/66/73/1182496673.db2.gz INFTWCNOPHEMQM-YTQUADARSA-N 1 3 361.486 0.280 20 30 FCEDHO C#CCN1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]32)CC1 ZINC001083283566 1182496680 /nfs/dbraw/zinc/49/66/80/1182496680.db2.gz INFTWCNOPHEMQM-YTQUADARSA-N 1 3 361.486 0.280 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000553329912 1193989117 /nfs/dbraw/zinc/98/91/17/1193989117.db2.gz SSKSSQAILVJVIH-UHFFFAOYSA-N 1 3 366.506 0.058 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000553329912 1193989120 /nfs/dbraw/zinc/98/91/20/1193989120.db2.gz SSKSSQAILVJVIH-UHFFFAOYSA-N 1 3 366.506 0.058 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001085432757 1197899170 /nfs/dbraw/zinc/89/91/70/1197899170.db2.gz OTWVTHBYHMMDAL-KURKYZTESA-N 1 3 360.502 0.579 20 30 FCEDHO C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001130293019 1201578982 /nfs/dbraw/zinc/57/89/82/1201578982.db2.gz HYIGLDAGYSMUSK-NEWSRXKRSA-N 1 3 362.518 0.988 20 30 FCEDHO CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CCC[NH+](C)C)CC1 ZINC001130298952 1201580090 /nfs/dbraw/zinc/58/00/90/1201580090.db2.gz OLIBZBZRQISYJB-XLIONFOSSA-N 1 3 362.518 0.827 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](CC)N(C)C)C[C@H]1c1cn(C)cn1 ZINC001130675285 1202752982 /nfs/dbraw/zinc/75/29/82/1202752982.db2.gz QOOSLYXDKGGSLM-JQHSSLGASA-N 1 3 363.506 0.847 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1c1cncn1C ZINC001131121475 1202865955 /nfs/dbraw/zinc/86/59/55/1202865955.db2.gz VEMVREHZWUMOMQ-IAGOWNOFSA-N 1 3 361.490 0.603 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001086882177 1204856665 /nfs/dbraw/zinc/85/66/65/1204856665.db2.gz DZIFRIRWFWCNMH-CGTJXYLNSA-N 1 3 360.502 0.485 20 30 FCEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1cnn(C)c1 ZINC001086988684 1204881914 /nfs/dbraw/zinc/88/19/14/1204881914.db2.gz MCLKXRYIDWKHBY-KTHLUNLYSA-N 1 3 371.485 0.353 20 30 FCEDHO C=CCCCCCN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517170 1224900291 /nfs/dbraw/zinc/90/02/91/1224900291.db2.gz ZHZJQWHHISMHJD-MSOLQXFVSA-N 1 3 363.506 0.966 20 30 FCEDHO C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)C1=O ZINC001093820214 1206123437 /nfs/dbraw/zinc/12/34/37/1206123437.db2.gz GMOMJLCCFCXLKF-ZACQAIPSSA-N 1 3 362.518 0.942 20 30 FCEDHO C[C@H](C#N)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001179900813 1206386208 /nfs/dbraw/zinc/38/62/08/1206386208.db2.gz DGXDOIFMLORYMP-WQKXAZGZSA-N 1 3 370.494 0.442 20 30 FCEDHO C#C[C@@](C)(CC)NCC(=O)N1CCN(C(=O)C[NH2+][C@@](C)(C#C)CC)CC1 ZINC000852097930 1209532644 /nfs/dbraw/zinc/53/26/44/1209532644.db2.gz AHEBMHGDDYQLRO-PMACEKPBSA-N 1 3 360.502 0.440 20 30 FCEDHO C#C[C@](C)(CC)NCC(=O)N1CCN(C(=O)C[NH2+][C@](C)(C#C)CC)CC1 ZINC000852097931 1209533436 /nfs/dbraw/zinc/53/34/36/1209533436.db2.gz AHEBMHGDDYQLRO-WOJBJXKFSA-N 1 3 360.502 0.440 20 30 FCEDHO COc1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cc1C#N ZINC000873823448 1210262583 /nfs/dbraw/zinc/26/25/83/1210262583.db2.gz WCOQYGKOSAILED-UHFFFAOYSA-N 1 3 361.446 0.457 20 30 FCEDHO CCN(CC)CC(=O)N1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884210479 1210723492 /nfs/dbraw/zinc/72/34/92/1210723492.db2.gz AVMZNFWUBOEJGC-KOHRHEQBSA-N 1 3 361.490 0.138 20 30 FCEDHO C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274432888 1211053911 /nfs/dbraw/zinc/05/39/11/1211053911.db2.gz LWCZYRKBHXZYNP-HDICACEKSA-N 1 3 362.518 0.897 20 30 FCEDHO C#CCN[C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)C1 ZINC001069838725 1216805364 /nfs/dbraw/zinc/80/53/64/1216805364.db2.gz GASBOLKTJOIJMJ-BPQIPLTHSA-N 1 3 355.486 0.840 20 30 FCEDHO C#CCN[C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)C1 ZINC001069838725 1216805366 /nfs/dbraw/zinc/80/53/66/1216805366.db2.gz GASBOLKTJOIJMJ-BPQIPLTHSA-N 1 3 355.486 0.840 20 30 FCEDHO CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)C1 ZINC001226766274 1225854175 /nfs/dbraw/zinc/85/41/75/1225854175.db2.gz KNMDEKVIPJFLOC-GVDBMIGSSA-N 1 3 363.506 0.621 20 30 FCEDHO CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)C1 ZINC001226766274 1225854179 /nfs/dbraw/zinc/85/41/79/1225854179.db2.gz KNMDEKVIPJFLOC-GVDBMIGSSA-N 1 3 363.506 0.621 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001228138123 1225896829 /nfs/dbraw/zinc/89/68/29/1225896829.db2.gz OQXGRZSWWVPKNX-KZNAEPCWSA-N 1 3 362.518 0.875 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001228138123 1225896830 /nfs/dbraw/zinc/89/68/30/1225896830.db2.gz OQXGRZSWWVPKNX-KZNAEPCWSA-N 1 3 362.518 0.875 20 30 FCEDHO COCC#CCN1C[C@@H](CNC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102384796 1220603498 /nfs/dbraw/zinc/60/34/98/1220603498.db2.gz BZSMNCRBYPKYSR-CEXWTWQISA-N 1 3 365.518 0.821 20 30 FCEDHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C ZINC001102976892 1220815183 /nfs/dbraw/zinc/81/51/83/1220815183.db2.gz BOEXETHRHHMQFG-ZACQAIPSSA-N 1 3 363.506 0.573 20 30 FCEDHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C ZINC001102976892 1220815184 /nfs/dbraw/zinc/81/51/84/1220815184.db2.gz BOEXETHRHHMQFG-ZACQAIPSSA-N 1 3 363.506 0.573 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085258 1220831118 /nfs/dbraw/zinc/83/11/18/1220831118.db2.gz NWRKXBYIMJYHEL-BRWVUGGUSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085258 1220831121 /nfs/dbraw/zinc/83/11/21/1220831121.db2.gz NWRKXBYIMJYHEL-BRWVUGGUSA-N 1 3 362.518 0.683 20 30 FCEDHO C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396888 1220877386 /nfs/dbraw/zinc/87/73/86/1220877386.db2.gz OJMDWLVIKIGDGV-HUUCEWRRSA-N 1 3 367.494 0.024 20 30 FCEDHO N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001230171307 1226060099 /nfs/dbraw/zinc/06/00/99/1226060099.db2.gz BTTDISYZGIORRT-IAGOWNOFSA-N 1 3 363.506 0.909 20 30 FCEDHO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847518 1223947405 /nfs/dbraw/zinc/94/74/05/1223947405.db2.gz ICOFRYQEISHLKM-HZPDHXFCSA-N 1 3 363.506 0.669 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855945 1223948360 /nfs/dbraw/zinc/94/83/60/1223948360.db2.gz SACVCJXLRJWCNH-KBAYOESNSA-N 1 3 360.502 0.579 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855945 1223948364 /nfs/dbraw/zinc/94/83/64/1223948364.db2.gz SACVCJXLRJWCNH-KBAYOESNSA-N 1 3 360.502 0.579 20 30 FCEDHO C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405482 1224049117 /nfs/dbraw/zinc/04/91/17/1224049117.db2.gz NQGRTUASYCZMGU-IAGOWNOFSA-N 1 3 362.518 0.943 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCCCC)C2)CC1 ZINC001216837804 1224077456 /nfs/dbraw/zinc/07/74/56/1224077456.db2.gz SBSMCEIQPPVEGU-SJLPKXTDSA-N 1 3 362.518 0.684 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)C)C2)CC1 ZINC001216842815 1224077946 /nfs/dbraw/zinc/07/79/46/1224077946.db2.gz MUNOSBXRXWGDDF-SJLPKXTDSA-N 1 3 362.518 0.540 20 30 FCEDHO N#Cc1ncn(CCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)n1 ZINC000849051621 1245390576 /nfs/dbraw/zinc/39/05/76/1245390576.db2.gz DPVYQXRPYYZOBD-UHFFFAOYSA-N 1 3 352.446 0.928 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC000938096130 1245819942 /nfs/dbraw/zinc/81/99/42/1245819942.db2.gz VYNBIEORGUCRKT-BPQIPLTHSA-N 1 3 360.502 0.389 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000938096130 1245819949 /nfs/dbraw/zinc/81/99/49/1245819949.db2.gz VYNBIEORGUCRKT-BPQIPLTHSA-N 1 3 360.502 0.389 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)C[C@H]2C)CC1 ZINC001080997619 1256131435 /nfs/dbraw/zinc/13/14/35/1256131435.db2.gz HBTADGNSVRSGCI-BPQIPLTHSA-N 1 3 370.501 0.547 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]2C)CC1 ZINC001080997619 1256131439 /nfs/dbraw/zinc/13/14/39/1256131439.db2.gz HBTADGNSVRSGCI-BPQIPLTHSA-N 1 3 370.501 0.547 20 30 FCEDHO C[NH2+][C@@H](C)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC001331512820 1266231077 /nfs/dbraw/zinc/23/10/77/1266231077.db2.gz JMSXVEVFVMORJV-HNNXBMFYSA-N 1 3 359.474 0.563 20 30 FCEDHO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[n-]1 ZINC001130251211 1259376851 /nfs/dbraw/zinc/37/68/51/1259376851.db2.gz IIDILLNHOBAEPT-GJZGRUSLSA-N 1 3 362.478 0.247 20 30 FCEDHO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[n-]1 ZINC001130251211 1259376859 /nfs/dbraw/zinc/37/68/59/1259376859.db2.gz IIDILLNHOBAEPT-GJZGRUSLSA-N 1 3 362.478 0.247 20 30 FCEDHO 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363.506 0.573 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@H]2O)CC1 ZINC001078227432 1255342416 /nfs/dbraw/zinc/34/24/16/1255342416.db2.gz ZERAQQWXRIZODB-RTBURBONSA-N 1 3 363.502 0.310 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)CC1 ZINC001078227432 1255342425 /nfs/dbraw/zinc/34/24/25/1255342425.db2.gz ZERAQQWXRIZODB-RTBURBONSA-N 1 3 363.502 0.310 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2OC)CC1 ZINC001082384186 1256734817 /nfs/dbraw/zinc/73/48/17/1256734817.db2.gz HPWBWQKFQNHPTM-QXAKKESOSA-N 1 3 363.502 0.574 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2OC)CC1 ZINC001082384186 1256734820 /nfs/dbraw/zinc/73/48/20/1256734820.db2.gz HPWBWQKFQNHPTM-QXAKKESOSA-N 1 3 363.502 0.574 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106728994 1258949458 /nfs/dbraw/zinc/94/94/58/1258949458.db2.gz CAJVHTZIRHHZPB-KURKYZTESA-N 1 3 362.518 0.683 20 30 FCEDHO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001106778292 1258961528 /nfs/dbraw/zinc/96/15/28/1258961528.db2.gz CSNRBLLJEFMBCR-HUUCEWRRSA-N 1 3 367.494 0.024 20 30 FCEDHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 ZINC001107449830 1259091922 /nfs/dbraw/zinc/09/19/22/1259091922.db2.gz ZBNGGKHDZVLJAS-GPMSIDNRSA-N 1 3 361.490 0.471 20 30 FCEDHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 ZINC001107449830 1259091925 /nfs/dbraw/zinc/09/19/25/1259091925.db2.gz ZBNGGKHDZVLJAS-GPMSIDNRSA-N 1 3 361.490 0.471 20 30 FCEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571138 1259181854 /nfs/dbraw/zinc/18/18/54/1259181854.db2.gz MCNDMROQCQTMRL-UAGQMJEPSA-N 1 3 366.506 0.130 20 30 FCEDHO C=CCCCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001128993828 1259284643 /nfs/dbraw/zinc/28/46/43/1259284643.db2.gz UPNZGFLAXVMRSU-KURKYZTESA-N 1 3 358.490 0.928 20 30 FCEDHO C#CCOC[C@@H](O)C[NH2+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001251881649 1259769383 /nfs/dbraw/zinc/76/93/83/1259769383.db2.gz YTRRHJMAMOREHB-MOPGFXCFSA-N 1 3 373.497 0.402 20 30 FCEDHO C#CCCCN1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC001279749948 1260927526 /nfs/dbraw/zinc/92/75/26/1260927526.db2.gz OHOJQTNXCBVJGQ-OAHLLOKOSA-N 1 3 358.490 0.762 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC001321082131 1263904866 /nfs/dbraw/zinc/90/48/66/1263904866.db2.gz YECJOGKFLKRQHN-UHFFFAOYSA-N 1 3 374.489 0.855 20 30 FCEDHO C=CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001692083675 1289389831 /nfs/dbraw/zinc/38/98/31/1289389831.db2.gz BXYDKDWOEIMDGC-WBVHZDCISA-N 1 3 350.507 0.847 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@H]2C)CC1 ZINC001102596608 844587068 /nfs/dbraw/zinc/58/70/68/844587068.db2.gz PEEPNMIWCUMQFZ-KBAYOESNSA-N 1 3 351.491 0.023 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2C)CC1 ZINC001102596608 844587074 /nfs/dbraw/zinc/58/70/74/844587074.db2.gz PEEPNMIWCUMQFZ-KBAYOESNSA-N 1 3 351.491 0.023 20 30 FCEDHO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103089941 844699363 /nfs/dbraw/zinc/69/93/63/844699363.db2.gz GZTYUNVQXDZRLC-HZPDHXFCSA-N 1 3 350.507 0.847 20 30 FCEDHO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)C2CCC2)C1 ZINC001103089941 844699370 /nfs/dbraw/zinc/69/93/70/844699370.db2.gz GZTYUNVQXDZRLC-HZPDHXFCSA-N 1 3 350.507 0.847 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672763 845222076 /nfs/dbraw/zinc/22/20/76/845222076.db2.gz JNBZJZZPQRERMN-HZPDHXFCSA-N 1 3 350.507 0.398 20 30 FCEDHO C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193738138 852479261 /nfs/dbraw/zinc/47/92/61/852479261.db2.gz OOVYOMBFMRGALQ-KZNAEPCWSA-N 1 3 351.491 0.757 20 30 FCEDHO C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193738138 852479266 /nfs/dbraw/zinc/47/92/66/852479266.db2.gz OOVYOMBFMRGALQ-KZNAEPCWSA-N 1 3 351.491 0.757 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214845315 855021260 /nfs/dbraw/zinc/02/12/60/855021260.db2.gz NYBBVXYRCVIKHY-BRWVUGGUSA-N 1 3 350.507 0.703 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845315 855021263 /nfs/dbraw/zinc/02/12/63/855021263.db2.gz NYBBVXYRCVIKHY-BRWVUGGUSA-N 1 3 350.507 0.703 20 30 FCEDHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(CC)CCC#N)C1 ZINC001216499280 855208620 /nfs/dbraw/zinc/20/86/20/855208620.db2.gz IRHSUNCQOUAKQR-HZPDHXFCSA-N 1 3 351.495 0.527 20 30 FCEDHO O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220284838 856045060 /nfs/dbraw/zinc/04/50/60/856045060.db2.gz YFMSFSSWETUXQF-MLCYQJTMSA-N 1 3 359.813 0.831 20 30 FCEDHO C=CCS(=O)(=O)N1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001259929114 858309664 /nfs/dbraw/zinc/30/96/64/858309664.db2.gz SIWAQLNAKQWATE-UHFFFAOYSA-N 1 3 370.563 0.678 20 30 FCEDHO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000419950448 246383127 /nfs/dbraw/zinc/38/31/27/246383127.db2.gz MKADFYNMLGTRBM-HNNXBMFYSA-N 1 3 359.474 0.420 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000106271605 488513148 /nfs/dbraw/zinc/51/31/48/488513148.db2.gz DUYRLVHFDPEBAS-MRXNPFEDSA-N 1 3 365.522 0.914 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000106271605 488513149 /nfs/dbraw/zinc/51/31/49/488513149.db2.gz DUYRLVHFDPEBAS-MRXNPFEDSA-N 1 3 365.522 0.914 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(S(N)(=O)=O)c1 ZINC000288709287 489007815 /nfs/dbraw/zinc/00/78/15/489007815.db2.gz KSZFXWBOJWFFJC-CYBMUJFWSA-N 1 3 369.491 0.231 20 30 FCEDHO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000369399381 489232672 /nfs/dbraw/zinc/23/26/72/489232672.db2.gz BUDFCVITFFLQOF-GOSISDBHSA-N 1 3 365.522 0.343 20 30 FCEDHO C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000369752927 489270785 /nfs/dbraw/zinc/27/07/85/489270785.db2.gz LTMABUIMJFLLKH-HKUYNNGSSA-N 1 3 374.529 0.923 20 30 FCEDHO C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000369752927 489270786 /nfs/dbraw/zinc/27/07/86/489270786.db2.gz LTMABUIMJFLLKH-HKUYNNGSSA-N 1 3 374.529 0.923 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420066192 489901654 /nfs/dbraw/zinc/90/16/54/489901654.db2.gz QTXOVGJEUMGPNF-QGZVFWFLSA-N 1 3 357.458 0.302 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000557733181 491394107 /nfs/dbraw/zinc/39/41/07/491394107.db2.gz OVBPLMUSPXOFJA-INIZCTEOSA-N 1 3 350.507 0.991 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000559864832 491506208 /nfs/dbraw/zinc/50/62/08/491506208.db2.gz NAFJOVDUSKYYCD-GOSISDBHSA-N 1 3 368.547 0.697 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000591572855 491809086 /nfs/dbraw/zinc/80/90/86/491809086.db2.gz WIBBYJXXMAUCIT-UHFFFAOYSA-N 1 3 371.485 0.788 20 30 FCEDHO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(CN2CCN(C)CC2)cc1 ZINC000591728057 491822603 /nfs/dbraw/zinc/82/26/03/491822603.db2.gz JAUCAYDUOJHGMW-HXUWFJFHSA-N 1 3 359.518 0.730 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCN1CCN(c2ncccn2)CC1 ZINC000264121147 529101030 /nfs/dbraw/zinc/10/10/30/529101030.db2.gz RBEDNRKYFWWQLG-KRWDZBQOSA-N 1 3 374.537 0.377 20 30 FCEDHO CCN1CCN(C[C@@H](C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264101833 529146459 /nfs/dbraw/zinc/14/64/59/529146459.db2.gz OKKDOTHVQQZNOD-KRWDZBQOSA-N 1 3 374.537 0.187 20 30 FCEDHO CCN1CCN(C[C@H](C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264101834 529147787 /nfs/dbraw/zinc/14/77/87/529147787.db2.gz OKKDOTHVQQZNOD-QGZVFWFLSA-N 1 3 374.537 0.187 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000553330346 547269497 /nfs/dbraw/zinc/26/94/97/547269497.db2.gz GVZVBKRZRJZTHQ-UHFFFAOYSA-N 1 3 350.507 0.943 20 30 FCEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000553328023 547269595 /nfs/dbraw/zinc/26/95/95/547269595.db2.gz BOPQAUHKUUJPFH-INIZCTEOSA-N 1 3 350.507 0.990 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C)CC1 ZINC000988506000 1192238428 /nfs/dbraw/zinc/23/84/28/1192238428.db2.gz HRKDFWCLAXAXID-NJAFHUGGSA-N 1 3 360.502 0.389 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C)CC1 ZINC000988506000 1192238436 /nfs/dbraw/zinc/23/84/36/1192238436.db2.gz HRKDFWCLAXAXID-NJAFHUGGSA-N 1 3 360.502 0.389 20 30 FCEDHO N#Cc1c(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)sc2c1CCNC2 ZINC001218553166 1224173174 /nfs/dbraw/zinc/17/31/74/1224173174.db2.gz OCJIABGIRVPNPO-KBPBESRZSA-N 1 3 373.482 0.947 20 30 FCEDHO C=CCN1CC[C@@H](N2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076467108 1194501072 /nfs/dbraw/zinc/50/10/72/1194501072.db2.gz DBOWRTKWFCACHB-GVDBMIGSSA-N 1 3 358.486 0.402 20 30 FCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(OCC#N)c1 ZINC000784394137 1197539397 /nfs/dbraw/zinc/53/93/97/1197539397.db2.gz QFFCVZOUCMIVOV-UHFFFAOYSA-N 1 3 361.446 0.479 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCNC2=O)CC1 ZINC001085432921 1197898845 /nfs/dbraw/zinc/89/88/45/1197898845.db2.gz XATIAFROYOECFX-KZNAEPCWSA-N 1 3 360.502 0.627 20 30 FCEDHO C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455443 1197936483 /nfs/dbraw/zinc/93/64/83/1197936483.db2.gz UGCGTWOFUZFKME-MJQPBPLVSA-N 1 3 363.502 0.736 20 30 FCEDHO N#Cc1ccc([C@H](N)CC(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)cc1 ZINC001219838643 1224647470 /nfs/dbraw/zinc/64/74/70/1224647470.db2.gz SMNWWZKBRMVIKT-WDYCEAGBSA-N 1 3 358.442 0.459 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005976 1201475904 /nfs/dbraw/zinc/47/59/04/1201475904.db2.gz NLJMWBMHOYWMIA-ZACQAIPSSA-N 1 3 362.478 0.164 20 30 FCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134129156 1203014637 /nfs/dbraw/zinc/01/46/37/1203014637.db2.gz AFEWECSSSXHZBE-NXHRZFHOSA-N 1 3 358.486 0.728 20 30 FCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134129156 1203014638 /nfs/dbraw/zinc/01/46/38/1203014638.db2.gz AFEWECSSSXHZBE-NXHRZFHOSA-N 1 3 358.486 0.728 20 30 FCEDHO C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C)C1=O ZINC001093287330 1206073187 /nfs/dbraw/zinc/07/31/87/1206073187.db2.gz KYRRHAHMMPMRGL-BFYDXBDKSA-N 1 3 359.474 0.813 20 30 FCEDHO C=CCOCCN1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001187952063 1207405801 /nfs/dbraw/zinc/40/58/01/1207405801.db2.gz SYVIETBJGIZQFW-FUHWJXTLSA-N 1 3 361.490 0.794 20 30 FCEDHO C#CCN1CCC[C@H](NC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000890367870 1210975112 /nfs/dbraw/zinc/97/51/12/1210975112.db2.gz WVUNHCASGHFJRO-HKUYNNGSSA-N 1 3 361.534 0.894 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001070655273 1219509724 /nfs/dbraw/zinc/50/97/24/1219509724.db2.gz CYXMJLWQNWRRCJ-KZNAEPCWSA-N 1 3 357.502 0.915 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001070655273 1219509728 /nfs/dbraw/zinc/50/97/28/1219509728.db2.gz CYXMJLWQNWRRCJ-KZNAEPCWSA-N 1 3 357.502 0.915 20 30 FCEDHO C=CCN1CC[C@@H](N2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102513474 1220672678 /nfs/dbraw/zinc/67/26/78/1220672678.db2.gz MBFJJWNARNPFIS-BRWVUGGUSA-N 1 3 366.506 0.036 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426759 1220880554 /nfs/dbraw/zinc/88/05/54/1220880554.db2.gz MANWPTBVDIXAKG-KZNAEPCWSA-N 1 3 364.534 0.930 20 30 FCEDHO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438386 1220882257 /nfs/dbraw/zinc/88/22/57/1220882257.db2.gz FGJGRKJALWRKIL-IAGOWNOFSA-N 1 3 362.518 0.542 20 30 FCEDHO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCC(C)(C)C2)C1 ZINC001103438386 1220882258 /nfs/dbraw/zinc/88/22/58/1220882258.db2.gz FGJGRKJALWRKIL-IAGOWNOFSA-N 1 3 362.518 0.542 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001229452505 1226012490 /nfs/dbraw/zinc/01/24/90/1226012490.db2.gz ZKIKREAQQDGCQE-QZTJIDSGSA-N 1 3 362.518 0.873 20 30 FCEDHO COCCN(C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1=O ZINC001120604841 1222108350 /nfs/dbraw/zinc/10/83/50/1222108350.db2.gz XFHXJKOBBWYMLB-ZWKOTPCHSA-N 1 3 360.458 0.360 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001214855946 1223948514 /nfs/dbraw/zinc/94/85/14/1223948514.db2.gz SACVCJXLRJWCNH-NXHRZFHOSA-N 1 3 360.502 0.579 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855946 1223948516 /nfs/dbraw/zinc/94/85/16/1223948516.db2.gz SACVCJXLRJWCNH-NXHRZFHOSA-N 1 3 360.502 0.579 20 30 FCEDHO C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215423978 1223998944 /nfs/dbraw/zinc/99/89/44/1223998944.db2.gz ZHPBXNCNYYTICT-RBSFLKMASA-N 1 3 367.494 0.165 20 30 FCEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453557 1224000026 /nfs/dbraw/zinc/00/00/26/1224000026.db2.gz IFWHGXRIBZSEJK-SJLPKXTDSA-N 1 3 362.518 0.965 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001216319525 1224043725 /nfs/dbraw/zinc/04/37/25/1224043725.db2.gz AICSUXQVQWEREV-KURKYZTESA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216319525 1224043728 /nfs/dbraw/zinc/04/37/28/1224043728.db2.gz AICSUXQVQWEREV-KURKYZTESA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997358341 1251558780 /nfs/dbraw/zinc/55/87/80/1251558780.db2.gz YYICQZJBIJGJTO-YRXWBPOGSA-N 1 3 372.513 0.531 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997358341 1251558787 /nfs/dbraw/zinc/55/87/87/1251558787.db2.gz YYICQZJBIJGJTO-YRXWBPOGSA-N 1 3 372.513 0.531 20 30 FCEDHO C=C(C)CCN1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083085092 1257287019 /nfs/dbraw/zinc/28/70/19/1257287019.db2.gz ZLPYRABSOJZSHC-ZWKOTPCHSA-N 1 3 361.490 0.936 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106669141 1258938655 /nfs/dbraw/zinc/93/86/55/1258938655.db2.gz YJKPVDZGVRURHV-BRWVUGGUSA-N 1 3 362.518 0.540 20 30 FCEDHO CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705277 1258944160 /nfs/dbraw/zinc/94/41/60/1258944160.db2.gz ZUUMIBMGYCWLBM-HUUCEWRRSA-N 1 3 360.462 0.398 20 30 FCEDHO CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106729631 1258949110 /nfs/dbraw/zinc/94/91/10/1258949110.db2.gz VNLGQGQVGRGHKB-ZACQAIPSSA-N 1 3 363.506 0.573 20 30 FCEDHO C#CCOC[C@H](O)C[NH2+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC001251881651 1259769217 /nfs/dbraw/zinc/76/92/17/1259769217.db2.gz YTRRHJMAMOREHB-RBUKOAKNSA-N 1 3 373.497 0.402 20 30 FCEDHO CC(C)[C@H](C(=O)NCC[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C)[NH+](C)C ZINC001103407638 844752651 /nfs/dbraw/zinc/75/26/51/844752651.db2.gz MTTMBMBMUIHIGO-BFYDXBDKSA-N 1 3 351.495 0.287 20 30 FCEDHO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103435876 844756856 /nfs/dbraw/zinc/75/68/56/844756856.db2.gz CGFXWHBFQUFAFZ-GVDBMIGSSA-N 1 3 350.507 0.705 20 30 FCEDHO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@H](C)C2)C1 ZINC001103435876 844756860 /nfs/dbraw/zinc/75/68/60/844756860.db2.gz CGFXWHBFQUFAFZ-GVDBMIGSSA-N 1 3 350.507 0.705 20 30 FCEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672206 845221776 /nfs/dbraw/zinc/22/17/76/845221776.db2.gz KGYBBYXNLVUPDD-HZPDHXFCSA-N 1 3 352.523 0.951 20 30 FCEDHO C=C[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276814215 861622316 /nfs/dbraw/zinc/62/23/16/861622316.db2.gz FLNCMNJAAQVKNY-MJGOQNOKSA-N 1 3 350.507 0.095 20 30 FCEDHO C=C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276814215 861622328 /nfs/dbraw/zinc/62/23/28/861622328.db2.gz FLNCMNJAAQVKNY-MJGOQNOKSA-N 1 3 350.507 0.095 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001215421633 855112784 /nfs/dbraw/zinc/11/27/84/855112784.db2.gz JYGFZJYLVOHLOG-HZPDHXFCSA-N 1 3 351.495 0.527 20 30 FCEDHO C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)C[C@H]2C)C1=O ZINC001216506399 855209745 /nfs/dbraw/zinc/20/97/45/855209745.db2.gz IIXAKHCWADFDNI-IXDOHACOSA-N 1 3 350.507 0.942 20 30 FCEDHO C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C)C1=O ZINC001216506399 855209750 /nfs/dbraw/zinc/20/97/50/855209750.db2.gz IIXAKHCWADFDNI-IXDOHACOSA-N 1 3 350.507 0.942 20 30 FCEDHO C[N@@H+]1CCCN(CCCNCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC001262563466 859000684 /nfs/dbraw/zinc/00/06/84/859000684.db2.gz FUMJDGROFGQXTH-UHFFFAOYSA-N 1 3 365.503 0.344 20 30 FCEDHO C[N@H+]1CCCN(CCCNCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC001262563466 859000687 /nfs/dbraw/zinc/00/06/87/859000687.db2.gz FUMJDGROFGQXTH-UHFFFAOYSA-N 1 3 365.503 0.344 20 30 FCEDHO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CNCC2 ZINC000415105916 245348841 /nfs/dbraw/zinc/34/88/41/245348841.db2.gz GVVNOPWXSHBZST-UHFFFAOYSA-N 1 3 357.458 0.965 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000419575968 246207141 /nfs/dbraw/zinc/20/71/41/246207141.db2.gz WZHRXWGDEVLHGE-YESZJQIVSA-N 1 3 350.507 0.915 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000419734609 246276455 /nfs/dbraw/zinc/27/64/55/246276455.db2.gz VMUGJPJHWYKEDC-ZWKOTPCHSA-N 1 3 356.470 0.706 20 30 FCEDHO COc1ccc(CCNC(=[NH2+])NC[C@H](O)CN2CCCCC2)cc1OC ZINC000170913117 488817747 /nfs/dbraw/zinc/81/77/47/488817747.db2.gz WFWZDBKLKVYPSV-INIZCTEOSA-N 1 3 364.490 0.997 20 30 FCEDHO C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000293267474 489183055 /nfs/dbraw/zinc/18/30/55/489183055.db2.gz FLQWDRHNFJMXIE-UHFFFAOYSA-N 1 3 360.458 0.637 20 30 FCEDHO CN(C)C(=O)CC[NH+]1CCC(NC[C@H](O)COc2ccccc2C#N)CC1 ZINC000530232314 490894738 /nfs/dbraw/zinc/89/47/38/490894738.db2.gz XXMXWFWTTMJDLX-SFHVURJKSA-N 1 3 374.485 0.830 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000672356883 493758706 /nfs/dbraw/zinc/75/87/06/493758706.db2.gz RYJOOXKUFNQLCI-UHFFFAOYSA-N 1 3 371.485 0.887 20 30 FCEDHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000423077511 536459945 /nfs/dbraw/zinc/45/99/45/536459945.db2.gz UDBTULRCTDAMIO-SFHVURJKSA-N 1 3 371.485 0.516 20 30 FCEDHO C#CCN1CCC(C(=O)N(C)CCNC(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC000119320594 526924955 /nfs/dbraw/zinc/92/49/55/526924955.db2.gz CPPRCXPQSWYZQS-UHFFFAOYSA-N 1 3 372.513 0.251 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419941128 535860711 /nfs/dbraw/zinc/86/07/11/535860711.db2.gz WEZONNYQPLKKOP-GOSISDBHSA-N 1 3 371.485 0.707 20 30 FCEDHO C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000553328024 547269980 /nfs/dbraw/zinc/26/99/80/547269980.db2.gz BOPQAUHKUUJPFH-MRXNPFEDSA-N 1 3 350.507 0.990 20 30 FCEDHO N#CCc1nn(-c2ccccc2)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1C#N ZINC001218751096 1224211546 /nfs/dbraw/zinc/21/15/46/1224211546.db2.gz AZPXZYMMIGABFC-OAHLLOKOSA-N 1 3 361.409 0.558 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCc4ccnn4C)C[C@H]32)CC1 ZINC001076604940 1194593652 /nfs/dbraw/zinc/59/36/52/1194593652.db2.gz YZMBFSSGZXRITP-AZUAARDMSA-N 1 3 369.513 0.841 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+](CCc4ccnn4C)C[C@H]32)CC1 ZINC001076604940 1194593654 /nfs/dbraw/zinc/59/36/54/1194593654.db2.gz YZMBFSSGZXRITP-AZUAARDMSA-N 1 3 369.513 0.841 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCn2cncn2)CC1 ZINC001085432873 1197899198 /nfs/dbraw/zinc/89/91/98/1197899198.db2.gz ULYQRNKBHJQZBR-QZTJIDSGSA-N 1 3 358.490 0.640 20 30 FCEDHO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC[NH+](C)C)[n-]1 ZINC001130232398 1201557120 /nfs/dbraw/zinc/55/71/20/1201557120.db2.gz GDKMRDDLVQBDOE-GJZGRUSLSA-N 1 3 362.478 0.248 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)[n-]1 ZINC001130233112 1201558083 /nfs/dbraw/zinc/55/80/83/1201558083.db2.gz YMBIUDVRMXFUOU-OFQRWUPVSA-N 1 3 364.494 0.655 20 30 FCEDHO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001130292776 1201578969 /nfs/dbraw/zinc/57/89/69/1201578969.db2.gz AVBKNBLZUWZSSV-AEFFLSMTSA-N 1 3 362.518 0.825 20 30 FCEDHO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001130292776 1201578973 /nfs/dbraw/zinc/57/89/73/1201578973.db2.gz AVBKNBLZUWZSSV-AEFFLSMTSA-N 1 3 362.518 0.825 20 30 FCEDHO C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)n2)O1 ZINC001130783424 1202794385 /nfs/dbraw/zinc/79/43/85/1202794385.db2.gz XKRGMLMVMRVMDD-CAOSSQGBSA-N 1 3 374.489 0.594 20 30 FCEDHO C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)n2)O1 ZINC001130783424 1202794388 /nfs/dbraw/zinc/79/43/88/1202794388.db2.gz XKRGMLMVMRVMDD-CAOSSQGBSA-N 1 3 374.489 0.594 20 30 FCEDHO COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001131464456 1202900120 /nfs/dbraw/zinc/90/01/20/1202900120.db2.gz RVIQOJFZBBAZPM-QYZOEREBSA-N 1 3 363.502 0.716 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001086882178 1204856448 /nfs/dbraw/zinc/85/64/48/1204856448.db2.gz DZIFRIRWFWCNMH-JQHSSLGASA-N 1 3 360.502 0.485 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2C)CC1 ZINC001093222249 1206061985 /nfs/dbraw/zinc/06/19/85/1206061985.db2.gz JTQHVRSGRNYKGC-VQIMIIECSA-N 1 3 357.502 0.949 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2C)CC1 ZINC001093222249 1206061986 /nfs/dbraw/zinc/06/19/86/1206061986.db2.gz JTQHVRSGRNYKGC-VQIMIIECSA-N 1 3 357.502 0.949 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]2C)CC1 ZINC001093223597 1206062249 /nfs/dbraw/zinc/06/22/49/1206062249.db2.gz CDRLISRKLDZBLB-JFIYKMOQSA-N 1 3 362.518 0.492 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]2C)CC1 ZINC001093223597 1206062252 /nfs/dbraw/zinc/06/22/52/1206062252.db2.gz CDRLISRKLDZBLB-JFIYKMOQSA-N 1 3 362.518 0.492 20 30 FCEDHO C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3CCN(CC#C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001093480914 1206090427 /nfs/dbraw/zinc/09/04/27/1206090427.db2.gz QISZTNAWMHINEF-XWSHUIEDSA-N 1 3 371.525 0.931 20 30 FCEDHO C=CCCC[N@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001276339149 1213419238 /nfs/dbraw/zinc/41/92/38/1213419238.db2.gz OYSVMCLGBZGVNN-HXUWFJFHSA-N 1 3 364.534 0.893 20 30 FCEDHO C=CCCC[N@@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001276339149 1213419239 /nfs/dbraw/zinc/41/92/39/1213419239.db2.gz OYSVMCLGBZGVNN-HXUWFJFHSA-N 1 3 364.534 0.893 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCOCCO)[C@H]3C2)CC1 ZINC001224227396 1225767083 /nfs/dbraw/zinc/76/70/83/1225767083.db2.gz JWIKVIAJCPZSRO-MJGOQNOKSA-N 1 3 363.502 0.263 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)CC1 ZINC001224227396 1225767088 /nfs/dbraw/zinc/76/70/88/1225767088.db2.gz JWIKVIAJCPZSRO-MJGOQNOKSA-N 1 3 363.502 0.263 20 30 FCEDHO C#CCCC[N@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001276384221 1219411717 /nfs/dbraw/zinc/41/17/17/1219411717.db2.gz LPSRYWBKPVDJNR-FQEVSTJZSA-N 1 3 362.518 0.341 20 30 FCEDHO C#CCCC[N@@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001276384221 1219411720 /nfs/dbraw/zinc/41/17/20/1219411720.db2.gz LPSRYWBKPVDJNR-FQEVSTJZSA-N 1 3 362.518 0.341 20 30 FCEDHO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)C1 ZINC001228136829 1225896387 /nfs/dbraw/zinc/89/63/87/1225896387.db2.gz BYGUWZSYMRXJAR-GVDBMIGSSA-N 1 3 363.506 0.765 20 30 FCEDHO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)C1 ZINC001228136829 1225896389 /nfs/dbraw/zinc/89/63/89/1225896389.db2.gz BYGUWZSYMRXJAR-GVDBMIGSSA-N 1 3 363.506 0.765 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]2C)CC1 ZINC001103752415 1220964879 /nfs/dbraw/zinc/96/48/79/1220964879.db2.gz DRQPIKYIFWMINK-NXHRZFHOSA-N 1 3 362.518 0.670 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]2C)CC1 ZINC001103752415 1220964883 /nfs/dbraw/zinc/96/48/83/1220964883.db2.gz DRQPIKYIFWMINK-NXHRZFHOSA-N 1 3 362.518 0.670 20 30 FCEDHO CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)N(C)C ZINC001112413652 1221254884 /nfs/dbraw/zinc/25/48/84/1221254884.db2.gz YMIUJAYQCNROTK-IEZWGBDMSA-N 1 3 363.506 0.431 20 30 FCEDHO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CN(C)C(C)C ZINC001230284599 1226071521 /nfs/dbraw/zinc/07/15/21/1226071521.db2.gz MVDIZBRFJQBVDB-HUUCEWRRSA-N 1 3 367.494 0.355 20 30 FCEDHO CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855962 1223948610 /nfs/dbraw/zinc/94/86/10/1223948610.db2.gz SKYGRBVCFJMZIX-QGPMSJSTSA-N 1 3 363.506 0.525 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@H]1C ZINC001215598744 1224008877 /nfs/dbraw/zinc/00/88/77/1224008877.db2.gz HSZWQMACKJJWFM-IXDOHACOSA-N 1 3 366.506 0.226 20 30 FCEDHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216828225 1224076000 /nfs/dbraw/zinc/07/60/00/1224076000.db2.gz BVRIFZPVUATUDO-RHSMWYFYSA-N 1 3 357.458 0.438 20 30 FCEDHO C=CCN1CCC(NC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000891521826 1245453411 /nfs/dbraw/zinc/45/34/11/1245453411.db2.gz KGIDBBJOXCFFSR-XHSDSOJGSA-N 1 3 363.462 0.213 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2OC)CC1 ZINC001082384196 1256734721 /nfs/dbraw/zinc/73/47/21/1256734721.db2.gz IGTSZSOULFNFMI-IPMKNSEASA-N 1 3 363.502 0.716 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2OC)CC1 ZINC001082384196 1256734725 /nfs/dbraw/zinc/73/47/25/1256734725.db2.gz IGTSZSOULFNFMI-IPMKNSEASA-N 1 3 363.502 0.716 20 30 FCEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CN3CCC(C)(C)C3)C[C@H]2C)C1=O ZINC001082743765 1257023556 /nfs/dbraw/zinc/02/35/56/1257023556.db2.gz AFJXTOHRPIHUFH-IXDOHACOSA-N 1 3 362.518 0.942 20 30 FCEDHO C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CN3CCC(C)CC3)C[C@H]2C)C1=O ZINC001082822264 1257081171 /nfs/dbraw/zinc/08/11/71/1257081171.db2.gz URDGXKCPKUXAQI-KZNAEPCWSA-N 1 3 362.518 0.942 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001106775405 1258960831 /nfs/dbraw/zinc/96/08/31/1258960831.db2.gz CDAKMGVIKMGSJI-QZTJIDSGSA-N 1 3 364.534 0.932 20 30 FCEDHO C=CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200555672 1259417493 /nfs/dbraw/zinc/41/74/93/1259417493.db2.gz SVBQTYBPNKFNEI-YESZJQIVSA-N 1 3 366.506 0.226 20 30 FCEDHO C=CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200555672 1259417496 /nfs/dbraw/zinc/41/74/96/1259417496.db2.gz SVBQTYBPNKFNEI-YESZJQIVSA-N 1 3 366.506 0.226 20 30 FCEDHO C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCO1 ZINC001200555670 1259418121 /nfs/dbraw/zinc/41/81/21/1259418121.db2.gz SVBQTYBPNKFNEI-IXDOHACOSA-N 1 3 366.506 0.226 20 30 FCEDHO C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200555670 1259418126 /nfs/dbraw/zinc/41/81/26/1259418126.db2.gz SVBQTYBPNKFNEI-IXDOHACOSA-N 1 3 366.506 0.226 20 30 FCEDHO CC[NH+]1CCC(CN2C[C@@H]3C(C(=O)NC4(C#N)CCC4)=NO[C@@H]3C2)CC1 ZINC001280254864 1261042255 /nfs/dbraw/zinc/04/22/55/1261042255.db2.gz BTKJKWHHIAOJMV-JKSUJKDBSA-N 1 3 359.474 0.967 20 30 FCEDHO COC(=O)[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12C[NH2+]C2 ZINC001578792063 1276276340 /nfs/dbraw/zinc/27/63/40/1276276340.db2.gz SDLCWSTWBRENOB-JKSUJKDBSA-N 1 3 352.394 0.462 20 30 FCEDHO C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001689091708 1294609311 /nfs/dbraw/zinc/60/93/11/1294609311.db2.gz ODRGCJZJTZPYSH-KURKYZTESA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001689091708 1294609316 /nfs/dbraw/zinc/60/93/16/1294609316.db2.gz ODRGCJZJTZPYSH-KURKYZTESA-N 1 3 362.518 0.827 20 30 FCEDHO COCC#CCN1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488984 844525223 /nfs/dbraw/zinc/52/52/23/844525223.db2.gz PCRNLZFQFGXSAF-IAGOWNOFSA-N 1 3 351.491 0.431 20 30 FCEDHO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103435875 844757348 /nfs/dbraw/zinc/75/73/48/844757348.db2.gz CGFXWHBFQUFAFZ-BRWVUGGUSA-N 1 3 350.507 0.705 20 30 FCEDHO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001103435875 844757350 /nfs/dbraw/zinc/75/73/50/844757350.db2.gz CGFXWHBFQUFAFZ-BRWVUGGUSA-N 1 3 350.507 0.705 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103643129 844793243 /nfs/dbraw/zinc/79/32/43/844793243.db2.gz DZLDPSWPWBOSGM-IXDOHACOSA-N 1 3 350.507 0.705 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103643129 844793248 /nfs/dbraw/zinc/79/32/48/844793248.db2.gz DZLDPSWPWBOSGM-IXDOHACOSA-N 1 3 350.507 0.705 20 30 FCEDHO CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CN2CCOCC2)C[C@H]1C(F)(F)F ZINC001112206333 846462177 /nfs/dbraw/zinc/46/21/77/846462177.db2.gz NQVYVRWAEZGEFM-RRFJBIMHSA-N 1 3 361.408 0.957 20 30 FCEDHO C#CCOC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277713543 862025703 /nfs/dbraw/zinc/02/57/03/862025703.db2.gz VMNSSXZWPSUYTA-HKUYNNGSSA-N 1 3 351.491 0.263 20 30 FCEDHO C#CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277713543 862025720 /nfs/dbraw/zinc/02/57/20/862025720.db2.gz VMNSSXZWPSUYTA-HKUYNNGSSA-N 1 3 351.491 0.263 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCOC)C[C@H]2OC)CC1 ZINC001213920037 854824692 /nfs/dbraw/zinc/82/46/92/854824692.db2.gz OHSCZWZBCMNISW-QZTJIDSGSA-N 1 3 351.491 0.574 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCCOC)C[C@H]2OC)CC1 ZINC001213920037 854824695 /nfs/dbraw/zinc/82/46/95/854824695.db2.gz OHSCZWZBCMNISW-QZTJIDSGSA-N 1 3 351.491 0.574 20 30 FCEDHO C=CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215782194 855145726 /nfs/dbraw/zinc/14/57/26/855145726.db2.gz XOFIJAJSDUMYPJ-BFYDXBDKSA-N 1 3 350.507 0.846 20 30 FCEDHO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)CCCCCC)C[C@H]1C ZINC001215972883 855162540 /nfs/dbraw/zinc/16/25/40/855162540.db2.gz BLOWAUCZQINKTQ-IAGOWNOFSA-N 1 3 350.507 0.684 20 30 FCEDHO C=C[C@@H](O)C[NH+]1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001253582993 857895708 /nfs/dbraw/zinc/89/57/08/857895708.db2.gz XENDYWPHEUOJOO-GOSISDBHSA-N 1 3 351.491 0.569 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000419566314 246203144 /nfs/dbraw/zinc/20/31/44/246203144.db2.gz GDKHOEFTCFPTJC-YESZJQIVSA-N 1 3 350.507 0.997 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000419702708 246259847 /nfs/dbraw/zinc/25/98/47/246259847.db2.gz BUSRFPQPUJKAMD-FUHWJXTLSA-N 1 3 374.460 0.845 20 30 FCEDHO N#Cc1ccc(CC(C#N)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000472027217 250128339 /nfs/dbraw/zinc/12/83/39/250128339.db2.gz 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1192237840 /nfs/dbraw/zinc/23/78/40/1192237840.db2.gz PQKCYTQMIDCNJX-RWQQGDIJSA-N 1 3 374.529 0.777 20 30 FCEDHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112529516 1186083644 /nfs/dbraw/zinc/08/36/44/1186083644.db2.gz CSVNVCKMGFPSPA-GJYPPUQNSA-N 1 3 361.490 0.329 20 30 FCEDHO C=CCCCN1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001218757276 1224212968 /nfs/dbraw/zinc/21/29/68/1224212968.db2.gz ALDCAQJEQKFMFD-ZWKOTPCHSA-N 1 3 361.490 0.936 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC=C)C[C@@H]2n2ccnn2)CC1 ZINC001129449228 1201311057 /nfs/dbraw/zinc/31/10/57/1201311057.db2.gz JRLVDVAAWOLPNH-MOPGFXCFSA-N 1 3 370.501 0.931 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCCC=C)C[C@@H]2n2ccnn2)CC1 ZINC001129449228 1201311066 /nfs/dbraw/zinc/31/10/66/1201311066.db2.gz JRLVDVAAWOLPNH-MOPGFXCFSA-N 1 3 370.501 0.931 20 30 FCEDHO C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001130293336 1201579433 /nfs/dbraw/zinc/57/94/33/1201579433.db2.gz 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C=C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCCN2CCN(C)CC2)CC1 ZINC001276815427 1225015556 /nfs/dbraw/zinc/01/55/56/1225015556.db2.gz PTHOBRNOMXAONH-MSOLQXFVSA-N 1 3 364.534 0.389 20 30 FCEDHO C=CCN1CCC(NC(=O)C(F)C(=O)NC2CC[NH+](CC=C)CC2)CC1 ZINC000865194431 1209974952 /nfs/dbraw/zinc/97/49/52/1209974952.db2.gz WBFDKRYOCTVLBD-UHFFFAOYSA-N 1 3 366.481 0.858 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2n2ccnn2)CC1 ZINC001070102466 1219177960 /nfs/dbraw/zinc/17/79/60/1219177960.db2.gz LDYYDQKMFRISGR-MOPGFXCFSA-N 1 3 370.501 0.765 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2n2ccnn2)CC1 ZINC001070102466 1219177962 /nfs/dbraw/zinc/17/79/62/1219177962.db2.gz LDYYDQKMFRISGR-MOPGFXCFSA-N 1 3 370.501 0.765 20 30 FCEDHO CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070382882 1219407928 /nfs/dbraw/zinc/40/79/28/1219407928.db2.gz XAHURQLMMWOGHS-LMMKCTJWSA-N 1 3 360.502 0.437 20 30 FCEDHO CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001070382882 1219407931 /nfs/dbraw/zinc/40/79/31/1219407931.db2.gz XAHURQLMMWOGHS-LMMKCTJWSA-N 1 3 360.502 0.437 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001070671250 1219517889 /nfs/dbraw/zinc/51/78/89/1219517889.db2.gz FIMFTALGIJNHCK-ZHALLVOQSA-N 1 3 355.486 0.812 20 30 FCEDHO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(Cc3ccnc(C#N)c3)C2)C1=O ZINC001277296292 1225917619 /nfs/dbraw/zinc/91/76/19/1225917619.db2.gz BHZMHBPFSABWOL-IBGZPJMESA-N 1 3 355.442 0.856 20 30 FCEDHO C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)c3cnccc3N(C)C)C[C@]2(C)C1 ZINC001101432117 1220341467 /nfs/dbraw/zinc/34/14/67/1220341467.db2.gz BQZZEYIFVGTVBO-QRWLVFNGSA-N 1 3 369.469 0.291 20 30 FCEDHO C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnccc3N(C)C)C[C@]2(C)C1 ZINC001101432117 1220341470 /nfs/dbraw/zinc/34/14/70/1220341470.db2.gz BQZZEYIFVGTVBO-QRWLVFNGSA-N 1 3 369.469 0.291 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@H]3C[N@H+](CCOCCO)C[C@@]3(C)C2)CC1 ZINC001101473061 1220364906 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C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C3CC3)C2)CC1 ZINC001216837516 1224076926 /nfs/dbraw/zinc/07/69/26/1224076926.db2.gz GPASAEXQKJGDBW-CRAIPNDOSA-N 1 3 360.502 0.389 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)C)C2)CC1 ZINC001216837544 1224076965 /nfs/dbraw/zinc/07/69/65/1224076965.db2.gz HFHORUVJIWVHGE-NVXWUHKLSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCC=C)C2)CC1 ZINC001216842822 1224078180 /nfs/dbraw/zinc/07/81/80/1224078180.db2.gz NGODPHOPFDHBNT-SOLBZPMBSA-N 1 3 360.502 0.459 20 30 FCEDHO C#CC[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC001328768908 1265609335 /nfs/dbraw/zinc/60/93/35/1265609335.db2.gz BXUBVBNGPLAAJL-SFHVURJKSA-N 1 3 358.486 0.819 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003366918 1252877945 /nfs/dbraw/zinc/87/79/45/1252877945.db2.gz YYICQZJBIJGJTO-MKXGPGLRSA-N 1 3 372.513 0.531 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003366918 1252877950 /nfs/dbraw/zinc/87/79/50/1252877950.db2.gz YYICQZJBIJGJTO-MKXGPGLRSA-N 1 3 372.513 0.531 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2OC)CC1 ZINC001082384195 1256734622 /nfs/dbraw/zinc/73/46/22/1256734622.db2.gz IGTSZSOULFNFMI-GUDVDZBRSA-N 1 3 363.502 0.716 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2OC)CC1 ZINC001082384195 1256734627 /nfs/dbraw/zinc/73/46/27/1256734627.db2.gz IGTSZSOULFNFMI-GUDVDZBRSA-N 1 3 363.502 0.716 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001084090406 1257915091 /nfs/dbraw/zinc/91/50/91/1257915091.db2.gz YQNCDPXCILCZNF-QRVBRYPASA-N 1 3 363.502 0.452 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001084090406 1257915096 /nfs/dbraw/zinc/91/50/96/1257915096.db2.gz YQNCDPXCILCZNF-QRVBRYPASA-N 1 3 363.502 0.452 20 30 FCEDHO N#Cc1ccc(C(=O)N2CCC([NH2+]CCCC[C@H](N)C(N)=O)CC2)cc1 ZINC001246407222 1259653146 /nfs/dbraw/zinc/65/31/46/1259653146.db2.gz XRCODRMORWVHKH-KRWDZBQOSA-N 1 3 357.458 0.735 20 30 FCEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001578416849 1275786397 /nfs/dbraw/zinc/78/63/97/1275786397.db2.gz HNDCDEGGKXENGY-IBGZPJMESA-N 1 3 355.442 0.957 20 30 FCEDHO COC(=O)[C@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12C[NH2+]C2 ZINC001578792062 1276276316 /nfs/dbraw/zinc/27/63/16/1276276316.db2.gz SDLCWSTWBRENOB-HZPDHXFCSA-N 1 3 352.394 0.462 20 30 FCEDHO C=CCNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001753027905 1290617835 /nfs/dbraw/zinc/61/78/35/1290617835.db2.gz UQARMUJCQCFJDR-BRWVUGGUSA-N 1 3 350.507 0.990 20 30 FCEDHO C=CCNC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001753027905 1290617843 /nfs/dbraw/zinc/61/78/43/1290617843.db2.gz UQARMUJCQCFJDR-BRWVUGGUSA-N 1 3 350.507 0.990 20 30 FCEDHO C=CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312949 844465152 /nfs/dbraw/zinc/46/51/52/844465152.db2.gz WDVGFUNUIZTRQC-BFYDXBDKSA-N 1 3 350.507 0.703 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374800 844744871 /nfs/dbraw/zinc/74/48/71/844744871.db2.gz MGIOYEQYPQMFER-HZPDHXFCSA-N 1 3 350.507 0.705 20 30 FCEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@H]1C ZINC001104319358 844894476 /nfs/dbraw/zinc/89/44/76/844894476.db2.gz PUODUDAPJFBRGS-NUJGCVRESA-N 1 3 350.507 0.396 20 30 FCEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001106669004 845220222 /nfs/dbraw/zinc/22/02/22/845220222.db2.gz TYSNRMYAOWBHLB-HZPDHXFCSA-N 1 3 350.507 0.705 20 30 FCEDHO C=C[C@H](O)C[N@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276814213 861623389 /nfs/dbraw/zinc/62/33/89/861623389.db2.gz FLNCMNJAAQVKNY-HKUYNNGSSA-N 1 3 350.507 0.095 20 30 FCEDHO C=C[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCCN3CCN(C)CC3)C2=O)C1 ZINC001276814213 861623401 /nfs/dbraw/zinc/62/34/01/861623401.db2.gz FLNCMNJAAQVKNY-HKUYNNGSSA-N 1 3 350.507 0.095 20 30 FCEDHO C=CCOCCN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129985381 848927026 /nfs/dbraw/zinc/92/70/26/848927026.db2.gz VGTHNQIDNFIQJM-CVEARBPZSA-N 1 3 350.467 0.164 20 30 FCEDHO C=C[C@@H]1C[C@]1(N)C(=O)N1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001158386183 850044817 /nfs/dbraw/zinc/04/48/17/850044817.db2.gz YRADRTVJMGPTOL-QPKOPYBWSA-N 1 3 361.364 0.433 20 30 FCEDHO C=C[C@@H]1C[C@]1(N)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197058 850239111 /nfs/dbraw/zinc/23/91/11/850239111.db2.gz XHUWSDQUMTWERW-IEBWSBKVSA-N 1 3 350.507 0.440 20 30 FCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001216053458 855166353 /nfs/dbraw/zinc/16/63/53/855166353.db2.gz NUBNFBPTCPLGCA-BRWVUGGUSA-N 1 3 350.507 0.846 20 30 FCEDHO N#Cc1c(NC(=O)[C@@H]2CNC(=O)C23CC[NH2+]CC3)sc2c1CCNC2 ZINC001218553291 855438288 /nfs/dbraw/zinc/43/82/88/855438288.db2.gz OWIVZEKJDSBAET-LBPRGKRZSA-N 1 3 359.455 0.320 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)C(C)C ZINC000419576863 246207871 /nfs/dbraw/zinc/20/78/71/246207871.db2.gz YAHKBKWGXFKZJF-QGZVFWFLSA-N 1 3 350.507 0.999 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000106271603 488513109 /nfs/dbraw/zinc/51/31/09/488513109.db2.gz DUYRLVHFDPEBAS-INIZCTEOSA-N 1 3 365.522 0.914 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000106271603 488513111 /nfs/dbraw/zinc/51/31/11/488513111.db2.gz DUYRLVHFDPEBAS-INIZCTEOSA-N 1 3 365.522 0.914 20 30 FCEDHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@@H+]1C ZINC000330153098 489074222 /nfs/dbraw/zinc/07/42/22/489074222.db2.gz XACZTDVMKHLCQX-BZUAXINKSA-N 1 3 351.495 0.622 20 30 FCEDHO C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC[N@H+]1C ZINC000330153098 489074225 /nfs/dbraw/zinc/07/42/25/489074225.db2.gz XACZTDVMKHLCQX-BZUAXINKSA-N 1 3 351.495 0.622 20 30 FCEDHO CO[C@@H]1CN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C[C@@H]1OC ZINC000330183690 489077434 /nfs/dbraw/zinc/07/74/34/489077434.db2.gz QEAIVQFWLRSYGA-CALCHBBNSA-N 1 3 354.495 0.805 20 30 FCEDHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000286563847 489404843 /nfs/dbraw/zinc/40/48/43/489404843.db2.gz SODGGRNWXXXFMR-MRXNPFEDSA-N 1 3 373.501 0.905 20 30 FCEDHO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000515582155 490832668 /nfs/dbraw/zinc/83/26/68/490832668.db2.gz POHFJUNHNGXQPL-JKSUJKDBSA-N 1 3 354.495 0.036 20 30 FCEDHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000567880194 491537487 /nfs/dbraw/zinc/53/74/87/491537487.db2.gz DLVLEEGUIPFNEH-CABCVRRESA-N 1 3 359.474 0.690 20 30 FCEDHO C[NH+]=C(NCC1(N(C)C)CCOCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261641761 526350109 /nfs/dbraw/zinc/35/01/09/526350109.db2.gz DJCAEGSJUGTPIZ-QGZVFWFLSA-N 1 3 367.538 0.327 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000550654131 547094450 /nfs/dbraw/zinc/09/44/50/547094450.db2.gz LUKPIGSFCTULDB-INIZCTEOSA-N 1 3 350.507 0.991 20 30 FCEDHO CC(C)(C)N1CC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCN1C(C)(C)C ZINC000897358541 1190816967 /nfs/dbraw/zinc/81/69/67/1190816967.db2.gz UTFAZICITRKDTC-HOTGVXAUSA-N 1 3 362.518 0.968 20 30 FCEDHO CC(C)(C)N1CC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897358541 1190816970 /nfs/dbraw/zinc/81/69/70/1190816970.db2.gz UTFAZICITRKDTC-HOTGVXAUSA-N 1 3 362.518 0.968 20 30 FCEDHO CC(C)(C)N1CC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897358541 1190816974 /nfs/dbraw/zinc/81/69/74/1190816974.db2.gz UTFAZICITRKDTC-HOTGVXAUSA-N 1 3 362.518 0.968 20 30 FCEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469670 1193864961 /nfs/dbraw/zinc/86/49/61/1193864961.db2.gz CSJYLFFTMWLREC-YRXWBPOGSA-N 1 3 365.518 0.861 20 30 FCEDHO C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CN3CCOCC3)[C@H]2C1 ZINC001219033478 1224305958 /nfs/dbraw/zinc/30/59/58/1224305958.db2.gz NTUMGXKPEKZTCM-OKZBNKHCSA-N 1 3 367.490 0.069 20 30 FCEDHO C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)CN3CCOCC3)[C@H]2C1 ZINC001219033478 1224305968 /nfs/dbraw/zinc/30/59/68/1224305968.db2.gz NTUMGXKPEKZTCM-OKZBNKHCSA-N 1 3 367.490 0.069 20 30 FCEDHO N#Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])c(C#N)c1 ZINC001219394233 1224452398 /nfs/dbraw/zinc/45/23/98/1224452398.db2.gz ZSZMFKKJGXQGPE-RDJZCZTQSA-N 1 3 368.441 0.816 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001129899850 1201433229 /nfs/dbraw/zinc/43/32/29/1201433229.db2.gz OTPWALZJUXUJIC-IKGGRYGDSA-N 1 3 364.494 0.408 20 30 FCEDHO C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)[NH+](C)C)[n-]1 ZINC001130220553 1201546258 /nfs/dbraw/zinc/54/62/58/1201546258.db2.gz DBAWIXCMBKGEOS-ZNMIVQPWSA-N 1 3 364.494 0.799 20 30 FCEDHO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)CCC)[n-]1 ZINC001130248952 1201567727 /nfs/dbraw/zinc/56/77/27/1201567727.db2.gz BSIRLWPLAQPJQS-GJZGRUSLSA-N 1 3 362.478 0.248 20 30 FCEDHO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)CCC)[n-]1 ZINC001130248952 1201567729 /nfs/dbraw/zinc/56/77/29/1201567729.db2.gz BSIRLWPLAQPJQS-GJZGRUSLSA-N 1 3 362.478 0.248 20 30 FCEDHO C#CCC[NH2+][C@@H]1CN(C(=O)C2CCN(CC#C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130737180 1202769979 /nfs/dbraw/zinc/76/99/79/1202769979.db2.gz WHDYIBAOCKZBFD-AZUAARDMSA-N 1 3 367.497 0.673 20 30 FCEDHO C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C3(N(C)C)CCC3)C[C@H]2C)C1=O ZINC001093820213 1206123405 /nfs/dbraw/zinc/12/34/05/1206123405.db2.gz GMOMJLCCFCXLKF-BRWVUGGUSA-N 1 3 362.518 0.942 20 30 FCEDHO C#CCN1CCC[C@H](NC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000890367873 1210975332 /nfs/dbraw/zinc/97/53/32/1210975332.db2.gz WVUNHCASGHFJRO-PKOBYXMFSA-N 1 3 361.534 0.894 20 30 FCEDHO C=CC[C@@](C)(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(=O)OC ZINC001221382180 1225303533 /nfs/dbraw/zinc/30/35/33/1225303533.db2.gz PDSLEURGFQYTPH-SUNYJGFJSA-N 1 3 368.478 0.058 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1c1cncn1C ZINC001070706257 1219535406 /nfs/dbraw/zinc/53/54/06/1219535406.db2.gz IDHUNDQERXJZBA-IAGOWNOFSA-N 1 3 359.474 0.048 20 30 FCEDHO CC(C)N1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001228932508 1225962990 /nfs/dbraw/zinc/96/29/90/1225962990.db2.gz OYIAKYRMYZCDQR-ZACQAIPSSA-N 1 3 363.506 0.906 20 30 FCEDHO C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)C1=O ZINC001102046103 1220475933 /nfs/dbraw/zinc/47/59/33/1220475933.db2.gz NDTCDVADFMBVNP-BRWVUGGUSA-N 1 3 362.518 0.942 20 30 FCEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C3(N(C)C)CCC3)[C@H](C)C2)C1=O ZINC001102046103 1220475935 /nfs/dbraw/zinc/47/59/35/1220475935.db2.gz NDTCDVADFMBVNP-BRWVUGGUSA-N 1 3 362.518 0.942 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994109 1220817757 /nfs/dbraw/zinc/81/77/57/1220817757.db2.gz QJOWPSMMDJPSPQ-NXHRZFHOSA-N 1 3 362.518 0.705 20 30 FCEDHO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001103757130 1220965170 /nfs/dbraw/zinc/96/51/70/1220965170.db2.gz MYFPVILTBCIBTE-KZNAEPCWSA-N 1 3 362.518 0.684 20 30 FCEDHO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCCN2CC)C1 ZINC001103757130 1220965172 /nfs/dbraw/zinc/96/51/72/1220965172.db2.gz MYFPVILTBCIBTE-KZNAEPCWSA-N 1 3 362.518 0.684 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCOCCO)C3)CC1 ZINC001112004179 1221197906 /nfs/dbraw/zinc/19/79/06/1221197906.db2.gz OGYBIUGQVYJMKK-ICSRJNTNSA-N 1 3 363.502 0.311 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)CC1 ZINC001112004179 1221197909 /nfs/dbraw/zinc/19/79/09/1221197909.db2.gz OGYBIUGQVYJMKK-ICSRJNTNSA-N 1 3 363.502 0.311 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NC(C)C)CC1 ZINC001230251816 1226067909 /nfs/dbraw/zinc/06/79/09/1226067909.db2.gz LHBANJLJIFCYOV-QZTJIDSGSA-N 1 3 362.518 0.873 20 30 FCEDHO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(Cc3ccc(C#N)cn3)C2)C1=O ZINC001276503868 1223407973 /nfs/dbraw/zinc/40/79/73/1223407973.db2.gz UKDKDKCRMATGQC-LJQANCHMSA-N 1 3 355.442 0.856 20 30 FCEDHO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214856235 1223948410 /nfs/dbraw/zinc/94/84/10/1223948410.db2.gz YNLRCJGOVKLVHW-SZVBFZGTSA-N 1 3 362.518 0.964 20 30 FCEDHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1NCC(=O)NCC#N ZINC001214856053 1223948672 /nfs/dbraw/zinc/94/86/72/1223948672.db2.gz WHVMAWFIOHDWMJ-OIISXLGYSA-N 1 3 361.490 0.470 20 30 FCEDHO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1NCC(=O)NCC#N ZINC001214856053 1223948673 /nfs/dbraw/zinc/94/86/73/1223948673.db2.gz WHVMAWFIOHDWMJ-OIISXLGYSA-N 1 3 361.490 0.470 20 30 FCEDHO C[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1NCC(=O)NCC#N ZINC001215227120 1223983895 /nfs/dbraw/zinc/98/38/95/1223983895.db2.gz YRWNDISDCIYTAL-CRAIPNDOSA-N 1 3 371.485 0.481 20 30 FCEDHO C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215541267 1224005106 /nfs/dbraw/zinc/00/51/06/1224005106.db2.gz WQVSJHBOUMSUML-LBTNJELSSA-N 1 3 367.469 0.275 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C[C@H]1C ZINC001216319526 1224043814 /nfs/dbraw/zinc/04/38/14/1224043814.db2.gz AICSUXQVQWEREV-KZNAEPCWSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216319526 1224043816 /nfs/dbraw/zinc/04/38/16/1224043816.db2.gz AICSUXQVQWEREV-KZNAEPCWSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001216326747 1224044289 /nfs/dbraw/zinc/04/42/89/1224044289.db2.gz IXLBFQJHYFDJJQ-CRAIPNDOSA-N 1 3 360.502 0.294 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216465016 1224052494 /nfs/dbraw/zinc/05/24/94/1224052494.db2.gz WRFBPMMAKGWKFS-IAGOWNOFSA-N 1 3 365.522 0.917 20 30 FCEDHO C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001127571136 1259182018 /nfs/dbraw/zinc/18/20/18/1259182018.db2.gz MCNDMROQCQTMRL-OIISXLGYSA-N 1 3 366.506 0.130 20 30 FCEDHO N#C[C@@H]1CN(C(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C[NH2+]CCC3)CCN1 ZINC001160652814 1259385787 /nfs/dbraw/zinc/38/57/87/1259385787.db2.gz MRJYMAQQSCYOON-SFHLNBCPSA-N 1 3 367.497 0.812 20 30 FCEDHO N#CCCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCn3ccnc3)C[C@H]12 ZINC001280182461 1261023480 /nfs/dbraw/zinc/02/34/80/1261023480.db2.gz ULWUVSFLPOZXLU-IAGOWNOFSA-N 1 3 356.474 0.699 20 30 FCEDHO N#CCCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCn3ccnc3)C[C@H]12 ZINC001280182461 1261023487 /nfs/dbraw/zinc/02/34/87/1261023487.db2.gz ULWUVSFLPOZXLU-IAGOWNOFSA-N 1 3 356.474 0.699 20 30 FCEDHO C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]Cc3cnn[n-]3)C2)CC1 ZINC001574967147 1271686126 /nfs/dbraw/zinc/68/61/26/1271686126.db2.gz MYSCCWSWTSBFHU-RDJZCZTQSA-N 1 3 358.490 0.724 20 30 FCEDHO C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)CN(CC)CC)[C@H](C)C2)C1=O ZINC001102475653 844516454 /nfs/dbraw/zinc/51/64/54/844516454.db2.gz YIRHBPRHLVXAMK-ZACQAIPSSA-N 1 3 350.507 0.799 20 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ZINC001104812472 844947459 /nfs/dbraw/zinc/94/74/59/844947459.db2.gz QCJPGKUABGLBMV-BRWVUGGUSA-N 1 3 350.507 0.540 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001106336336 845159076 /nfs/dbraw/zinc/15/90/76/845159076.db2.gz JGLYICUWNKUIHG-BZUAXINKSA-N 1 3 350.507 0.539 20 30 FCEDHO C=C[C@H](O)C[N@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276814780 861624387 /nfs/dbraw/zinc/62/43/87/861624387.db2.gz KHDWMMFWVGTLJZ-HKUYNNGSSA-N 1 3 350.507 0.238 20 30 FCEDHO C=C[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276814780 861624392 /nfs/dbraw/zinc/62/43/92/861624392.db2.gz KHDWMMFWVGTLJZ-HKUYNNGSSA-N 1 3 350.507 0.238 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137311 848951264 /nfs/dbraw/zinc/95/12/64/848951264.db2.gz SGOGSGYSJCFRQH-CVEARBPZSA-N 1 3 350.467 0.162 20 30 FCEDHO C=CCOC[C@H]1CCC[C@@]12CN(C(=O)[C@@H](N)CSCC[NH3+])CCO2 ZINC001160248009 850161352 /nfs/dbraw/zinc/16/13/52/850161352.db2.gz OOKMVKXEMQBENR-HLLBOEOZSA-N 1 3 357.520 0.606 20 30 FCEDHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC#CCOC)C2)CC[N@@H+]1C ZINC001200554735 853501781 /nfs/dbraw/zinc/50/17/81/853501781.db2.gz MBSPKPRQROCWBR-FGTMMUONSA-N 1 3 351.491 0.574 20 30 FCEDHO CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](CNCC#CCOC)C2)CC[N@H+]1C ZINC001200554735 853501786 /nfs/dbraw/zinc/50/17/86/853501786.db2.gz MBSPKPRQROCWBR-FGTMMUONSA-N 1 3 351.491 0.574 20 30 FCEDHO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](F)CN(CC)CC ZINC001226554990 857108435 /nfs/dbraw/zinc/10/84/35/857108435.db2.gz VUONZOFFEAPFEO-ARFHVFGLSA-N 1 3 354.470 0.433 20 30 FCEDHO C#CCOC[C@H](O)CNCCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001251893310 857765902 /nfs/dbraw/zinc/76/59/02/857765902.db2.gz ATALVRPIMWZJDH-MRXNPFEDSA-N 1 3 357.495 0.823 20 30 FCEDHO C#CCOC[C@H](O)CNCCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001251893310 857765917 /nfs/dbraw/zinc/76/59/17/857765917.db2.gz ATALVRPIMWZJDH-MRXNPFEDSA-N 1 3 357.495 0.823 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000419575964 246208012 /nfs/dbraw/zinc/20/80/12/246208012.db2.gz WZHRXWGDEVLHGE-BRWVUGGUSA-N 1 3 350.507 0.915 20 30 FCEDHO COCCN1CC[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000330200298 489079495 /nfs/dbraw/zinc/07/94/95/489079495.db2.gz ADVPRRMVAKQSIG-JKSUJKDBSA-N 1 3 354.495 0.806 20 30 FCEDHO COCCN1CC[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000330200298 489079498 /nfs/dbraw/zinc/07/94/98/489079498.db2.gz ADVPRRMVAKQSIG-JKSUJKDBSA-N 1 3 354.495 0.806 20 30 FCEDHO COCCN1CC[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000330200297 489079740 /nfs/dbraw/zinc/07/97/40/489079740.db2.gz ADVPRRMVAKQSIG-HZPDHXFCSA-N 1 3 354.495 0.806 20 30 FCEDHO COCCN1CC[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000330200297 489079742 /nfs/dbraw/zinc/07/97/42/489079742.db2.gz ADVPRRMVAKQSIG-HZPDHXFCSA-N 1 3 354.495 0.806 20 30 FCEDHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000331112626 489174447 /nfs/dbraw/zinc/17/44/47/489174447.db2.gz JDVGUBQMMRMLQT-HOTGVXAUSA-N 1 3 353.511 0.869 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418310432 489691048 /nfs/dbraw/zinc/69/10/48/489691048.db2.gz YFCGPPWJTLSPQB-UHFFFAOYSA-N 1 3 358.490 0.537 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000556356110 491311492 /nfs/dbraw/zinc/31/14/92/491311492.db2.gz VSOYTEYPGCJTLZ-INIZCTEOSA-N 1 3 350.507 0.991 20 30 FCEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)C ZINC000521905602 490309180 /nfs/dbraw/zinc/30/91/80/490309180.db2.gz YNXWDTXBIFBTCY-GVDBMIGSSA-N 1 3 363.506 0.638 20 30 FCEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)C ZINC000521905604 490309627 /nfs/dbraw/zinc/30/96/27/490309627.db2.gz YNXWDTXBIFBTCY-YESZJQIVSA-N 1 3 363.506 0.638 20 30 FCEDHO C[NH+](C)CCN1CCC(NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000514597949 490773361 /nfs/dbraw/zinc/77/33/61/490773361.db2.gz DGFCDZXDXGSTJW-UHFFFAOYSA-N 1 3 365.503 0.343 20 30 FCEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)C(C)C ZINC000568372883 491572026 /nfs/dbraw/zinc/57/20/26/491572026.db2.gz BUBAWFFOLQSAHK-SJORKVTESA-N 1 3 350.507 0.999 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000580850893 491749113 /nfs/dbraw/zinc/74/91/13/491749113.db2.gz UIVYMORKHZAGCQ-MRXNPFEDSA-N 1 3 366.506 0.370 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000580850893 491749115 /nfs/dbraw/zinc/74/91/15/491749115.db2.gz UIVYMORKHZAGCQ-MRXNPFEDSA-N 1 3 366.506 0.370 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC1 ZINC000664015457 493630682 /nfs/dbraw/zinc/63/06/82/493630682.db2.gz IDWFRPASNVZBGQ-UHFFFAOYSA-N 1 3 353.511 0.688 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000553712943 547301978 /nfs/dbraw/zinc/30/19/78/547301978.db2.gz YVPURGTXBVNNRT-UHFFFAOYSA-N 1 3 350.507 0.943 20 30 FCEDHO C=C(C)C[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC1 ZINC001052042909 676113361 /nfs/dbraw/zinc/11/33/61/676113361.db2.gz KCKQPPGBCBHORM-KZNAEPCWSA-N 1 3 350.507 0.500 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000884642541 673469333 /nfs/dbraw/zinc/46/93/33/673469333.db2.gz LRIWZUJASIKBRN-AAEUAGOBSA-N 1 3 362.396 0.349 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001076604430 1194592905 /nfs/dbraw/zinc/59/29/05/1194592905.db2.gz FHKCSDYEQXQPDN-OKZBNKHCSA-N 1 3 358.486 0.143 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001076604430 1194592907 /nfs/dbraw/zinc/59/29/07/1194592907.db2.gz FHKCSDYEQXQPDN-OKZBNKHCSA-N 1 3 358.486 0.143 20 30 FCEDHO CC1C[C@@H](C(=O)NCC#CCN(C)C)[C@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000913520955 1196450957 /nfs/dbraw/zinc/45/09/57/1196450957.db2.gz GAWKORKYRQSAFD-QZTJIDSGSA-N 1 3 360.502 0.011 20 30 FCEDHO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C ZINC001106308821 1197859971 /nfs/dbraw/zinc/85/99/71/1197859971.db2.gz BXEAHWIPGRZFOE-RBSFLKMASA-N 1 3 367.494 0.023 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@@H]2C)[n-]1 ZINC001130238154 1201561149 /nfs/dbraw/zinc/56/11/49/1201561149.db2.gz WDBSHUIKVFHCGI-KKUMJFAQSA-N 1 3 362.478 0.553 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@@H]2C)[n-]1 ZINC001130238154 1201561153 /nfs/dbraw/zinc/56/11/53/1201561153.db2.gz WDBSHUIKVFHCGI-KKUMJFAQSA-N 1 3 362.478 0.553 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130695488 1202757644 /nfs/dbraw/zinc/75/76/44/1202757644.db2.gz VRYVQODWEQTFQT-FUHWJXTLSA-N 1 3 363.506 0.849 20 30 FCEDHO C#Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001220380622 1224850055 /nfs/dbraw/zinc/85/00/55/1224850055.db2.gz ANMUGXWQZQIDFL-ROUUACIJSA-N 1 3 356.470 0.731 20 30 FCEDHO CC(C)(C)OC(=O)N1CC[C@@H](NCCC[NH+](CCO)CCO)C[C@H]1C#N ZINC001172970646 1206264968 /nfs/dbraw/zinc/26/49/68/1206264968.db2.gz IUZBRZYDCPYRKL-CVEARBPZSA-N 1 3 370.494 0.544 20 30 FCEDHO N#Cc1ccccc1C(=O)N1CCC(NC(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001220914975 1225138181 /nfs/dbraw/zinc/13/81/81/1225138181.db2.gz IGZCTXVBCXXLGO-KRWDZBQOSA-N 1 3 357.458 0.735 20 30 FCEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001070377341 1219404741 /nfs/dbraw/zinc/40/47/41/1219404741.db2.gz SITDDOLUAATHGD-MJGOQNOKSA-N 1 3 362.518 0.990 20 30 FCEDHO C=CCNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102122787 1220510768 /nfs/dbraw/zinc/51/07/68/1220510768.db2.gz LURKEDJIEAVXDG-BRWVUGGUSA-N 1 3 362.518 0.990 20 30 FCEDHO C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171053 1220533000 /nfs/dbraw/zinc/53/30/00/1220533000.db2.gz CGYFAKBJGDSZQE-MJQPBPLVSA-N 1 3 363.502 0.736 20 30 FCEDHO C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171053 1220533007 /nfs/dbraw/zinc/53/30/07/1220533007.db2.gz CGYFAKBJGDSZQE-MJQPBPLVSA-N 1 3 363.502 0.736 20 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CCN(C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112439204 1221259262 /nfs/dbraw/zinc/25/92/62/1221259262.db2.gz OKPRATMNYYZFAJ-KXBFYZLASA-N 1 3 363.506 0.575 20 30 FCEDHO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1CCN(CC#C)CC1 ZINC001230252045 1226069030 /nfs/dbraw/zinc/06/90/30/1226069030.db2.gz XZYDQDSWBWUAQF-QZTJIDSGSA-N 1 3 358.486 0.098 20 30 FCEDHO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215540298 1224005449 /nfs/dbraw/zinc/00/54/49/1224005449.db2.gz LELQRPCGXRFCJE-KZNAEPCWSA-N 1 3 362.518 0.965 20 30 FCEDHO C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216214019 1224039341 /nfs/dbraw/zinc/03/93/41/1224039341.db2.gz VITYQWDUXQMGIT-QLFBSQMISA-N 1 3 367.494 0.165 20 30 FCEDHO C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216214019 1224039342 /nfs/dbraw/zinc/03/93/42/1224039342.db2.gz VITYQWDUXQMGIT-QLFBSQMISA-N 1 3 367.494 0.165 20 30 FCEDHO C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001216463325 1224052434 /nfs/dbraw/zinc/05/24/34/1224052434.db2.gz DRDHJXXLUYDALV-HUUCEWRRSA-N 1 3 367.494 0.167 20 30 FCEDHO C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216774374 1224071499 /nfs/dbraw/zinc/07/14/99/1224071499.db2.gz VRZGVTYHOGLFDL-KZNAEPCWSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)C(=O)NCC=C)C2)CC1 ZINC001216842821 1224078085 /nfs/dbraw/zinc/07/80/85/1224078085.db2.gz NGODPHOPFDHBNT-JFIYKMOQSA-N 1 3 360.502 0.459 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2OC)CC1 ZINC001082384377 1256734541 /nfs/dbraw/zinc/73/45/41/1256734541.db2.gz RXNMHWHHQAKGRS-QXAKKESOSA-N 1 3 363.502 0.574 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2OC)CC1 ZINC001082384377 1256734546 /nfs/dbraw/zinc/73/45/46/1256734546.db2.gz RXNMHWHHQAKGRS-QXAKKESOSA-N 1 3 363.502 0.574 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](OC)C3CCC3)C[C@@H]2O)CC1 ZINC001084090030 1257914727 /nfs/dbraw/zinc/91/47/27/1257914727.db2.gz HAJRLGZABWBNHM-CEXWTWQISA-N 1 3 363.502 0.308 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@@H]2O)CC1 ZINC001084090030 1257914736 /nfs/dbraw/zinc/91/47/36/1257914736.db2.gz HAJRLGZABWBNHM-CEXWTWQISA-N 1 3 363.502 0.308 20 30 FCEDHO CC[C@@H](C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1)N(C)C ZINC001106673522 1258939526 /nfs/dbraw/zinc/93/95/26/1258939526.db2.gz GRXKSMDNFZSNJK-ZACQAIPSSA-N 1 3 365.522 0.773 20 30 FCEDHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1 ZINC001106905768 1258992594 /nfs/dbraw/zinc/99/25/94/1258992594.db2.gz GWHPXRKEJWHEIK-IAGOWNOFSA-N 1 3 365.522 0.774 20 30 FCEDHO C#CCN(C)c1nnc(C2CC[NH2+]CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001574604411 1271410120 /nfs/dbraw/zinc/41/01/20/1271410120.db2.gz OSEHGECTZQSMNP-UHFFFAOYSA-N 1 3 373.549 0.841 20 30 FCEDHO C#CCNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001692083818 1289390303 /nfs/dbraw/zinc/39/03/03/1289390303.db2.gz IEZMBXHPSHRPFB-NUJGCVRESA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCCC)C2)CC1 ZINC001689022133 1294572402 /nfs/dbraw/zinc/57/24/02/1294572402.db2.gz UXXNJTFAIBXBOP-FUHWJXTLSA-N 1 3 362.518 0.732 20 30 FCEDHO C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)C1=O ZINC001689021705 1294573247 /nfs/dbraw/zinc/57/32/47/1294573247.db2.gz FSYVVVDCLSMYKS-BBWFWOEESA-N 1 3 350.507 0.988 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001101958813 844346942 /nfs/dbraw/zinc/34/69/42/844346942.db2.gz UQOWTDYURVRQOM-BRWVUGGUSA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001101958813 844346955 /nfs/dbraw/zinc/34/69/55/844346955.db2.gz UQOWTDYURVRQOM-BRWVUGGUSA-N 1 3 350.507 0.846 20 30 FCEDHO CCN(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104363037 844900511 /nfs/dbraw/zinc/90/05/11/844900511.db2.gz WDWNQNDSQASTAH-HUUCEWRRSA-N 1 3 351.495 0.431 20 30 FCEDHO C=C[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276814783 861624970 /nfs/dbraw/zinc/62/49/70/861624970.db2.gz KHDWMMFWVGTLJZ-MJGOQNOKSA-N 1 3 350.507 0.238 20 30 FCEDHO C=C[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276814783 861624978 /nfs/dbraw/zinc/62/49/78/861624978.db2.gz KHDWMMFWVGTLJZ-MJGOQNOKSA-N 1 3 350.507 0.238 20 30 FCEDHO CN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)S(=O)(=O)CC[NH3+] ZINC001156240122 849899113 /nfs/dbraw/zinc/89/91/13/849899113.db2.gz HPYYCCXXQOAJNZ-SNVBAGLBSA-N 1 3 355.420 0.150 20 30 FCEDHO CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)C1 ZINC001158032159 850014883 /nfs/dbraw/zinc/01/48/83/850014883.db2.gz RBMMPFUZHFYFQT-HLLBOEOZSA-N 1 3 373.519 0.466 20 30 FCEDHO C=C[C@@H]1C[C@]1(N)C(=O)N1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001158386184 850044267 /nfs/dbraw/zinc/04/42/67/850044267.db2.gz YRADRTVJMGPTOL-SDJAHQOYSA-N 1 3 361.364 0.433 20 30 FCEDHO C=CCOCCN1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213329074 854577672 /nfs/dbraw/zinc/57/76/72/854577672.db2.gz PMPDZXWGYPWESW-BRWVUGGUSA-N 1 3 355.479 0.114 20 30 FCEDHO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213329074 854577673 /nfs/dbraw/zinc/57/76/73/854577673.db2.gz PMPDZXWGYPWESW-BRWVUGGUSA-N 1 3 355.479 0.114 20 30 FCEDHO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)[C@H](OC)C1 ZINC001213329074 854577676 /nfs/dbraw/zinc/57/76/76/854577676.db2.gz PMPDZXWGYPWESW-BRWVUGGUSA-N 1 3 355.479 0.114 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214855844 855022966 /nfs/dbraw/zinc/02/29/66/855022966.db2.gz PGUATALZNLTYDY-IXDOHACOSA-N 1 3 350.507 0.988 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214855844 855022971 /nfs/dbraw/zinc/02/29/71/855022971.db2.gz PGUATALZNLTYDY-IXDOHACOSA-N 1 3 350.507 0.988 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215774388 855144970 /nfs/dbraw/zinc/14/49/70/855144970.db2.gz NVGDGIUISHGHMV-BRWVUGGUSA-N 1 3 350.507 0.988 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215774388 855144974 /nfs/dbraw/zinc/14/49/74/855144974.db2.gz NVGDGIUISHGHMV-BRWVUGGUSA-N 1 3 350.507 0.988 20 30 FCEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216229767 855181589 /nfs/dbraw/zinc/18/15/89/855181589.db2.gz PGIAHSFXJALIEL-IAGOWNOFSA-N 1 3 350.507 0.965 20 30 FCEDHO C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216229767 855181597 /nfs/dbraw/zinc/18/15/97/855181597.db2.gz PGIAHSFXJALIEL-IAGOWNOFSA-N 1 3 350.507 0.965 20 30 FCEDHO CCc1ccc(CN(CC[NH3+])C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2)cc1 ZINC001220904860 856367367 /nfs/dbraw/zinc/36/73/67/856367367.db2.gz GKHMZRZRLJTOGD-CVEARBPZSA-N 1 3 369.487 0.243 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCOCCO)CC1 ZINC001230251839 857318909 /nfs/dbraw/zinc/31/89/09/857318909.db2.gz MCEQIARTQYJOOZ-QZTJIDSGSA-N 1 3 351.491 0.358 20 30 FCEDHO C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1OCCN(C)C ZINC000104180697 530039438 /nfs/dbraw/zinc/03/94/38/530039438.db2.gz SBEWWBZWEWRODL-UHFFFAOYSA-N 1 3 363.506 0.624 20 30 FCEDHO COc1ccc(CNC(=[NH2+])NCCCN2CCC(O)CC2)cc1OC ZINC000264091945 533551117 /nfs/dbraw/zinc/55/11/17/533551117.db2.gz LHYQOKYZGQTOAP-UHFFFAOYSA-N 1 3 350.463 0.955 20 30 FCEDHO [NH2+]=C(NC[C@H]1CN2CCN1CC2)NC1CCN(Cc2ccccc2)CC1 ZINC000262765513 229311830 /nfs/dbraw/zinc/31/18/30/229311830.db2.gz HDLRDKAVXVZWEU-IBGZPJMESA-N 1 3 356.518 0.555 20 30 FCEDHO CCNS(=O)(=O)c1ccc(CNC(=[NH2+])NC[C@@H]2CCCN2CC)cc1 ZINC000268585719 488433716 /nfs/dbraw/zinc/43/37/16/488433716.db2.gz LPBKGMMJBACBSY-HNNXBMFYSA-N 1 3 367.519 0.873 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000562958153 491203072 /nfs/dbraw/zinc/20/30/72/491203072.db2.gz ROYPIRPONTWVDH-SFHVURJKSA-N 1 3 371.485 0.646 20 30 FCEDHO C=CC[NH+]1CCC(NC(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000512571458 490689160 /nfs/dbraw/zinc/68/91/60/490689160.db2.gz DETFFKBRBURLCS-UHFFFAOYSA-N 1 3 367.538 0.326 20 30 FCEDHO N#Cc1ccc2ncc(C[NH2+]CCCCN3CCN(CCO)CC3)n2c1 ZINC000538407645 490731175 /nfs/dbraw/zinc/73/11/75/490731175.db2.gz HQDKVOFFZNAYBY-UHFFFAOYSA-N 1 3 356.474 0.686 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000642769900 492387676 /nfs/dbraw/zinc/38/76/76/492387676.db2.gz YNMQUHUYCLDCMJ-BBWFWOEESA-N 1 3 366.506 0.376 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCCO)c(OC)c1 ZINC000264066398 529073419 /nfs/dbraw/zinc/07/34/19/529073419.db2.gz BKXXXIWWEXOSSP-OAHLLOKOSA-N 1 3 350.463 0.955 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000553733393 547303050 /nfs/dbraw/zinc/30/30/50/547303050.db2.gz PHWYSYCVNBEWPP-MRXNPFEDSA-N 1 3 350.507 0.943 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000553733393 547303053 /nfs/dbraw/zinc/30/30/53/547303053.db2.gz PHWYSYCVNBEWPP-MRXNPFEDSA-N 1 3 350.507 0.943 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)N(C)CC)C[C@H]1C ZINC001104362767 1170483339 /nfs/dbraw/zinc/48/33/39/1170483339.db2.gz IUASLNKICROMAA-BRWVUGGUSA-N 1 3 364.534 0.929 20 30 FCEDHO CCN1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001105067052 1183101285 /nfs/dbraw/zinc/10/12/85/1183101285.db2.gz LDCCSAKEBIZXON-ZACQAIPSSA-N 1 3 363.506 0.575 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CN1CCC[C@@H]1C)C2 ZINC001112529674 1186085887 /nfs/dbraw/zinc/08/58/87/1186085887.db2.gz JVUHAIYBBUUVEY-ZWOKBUDYSA-N 1 3 360.502 0.438 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCn3cncn3)[C@@H]2CC)CC1 ZINC001087840473 1189847779 /nfs/dbraw/zinc/84/77/79/1189847779.db2.gz ZDQVNBQCBQUAEX-ZWKOTPCHSA-N 1 3 358.490 0.592 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@@H]2CC)CC1 ZINC001087840473 1189847781 /nfs/dbraw/zinc/84/77/81/1189847781.db2.gz ZDQVNBQCBQUAEX-ZWKOTPCHSA-N 1 3 358.490 0.592 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@H+](CCc3ccnn3C)[C@@H]2C)CC1 ZINC001089059299 1196879047 /nfs/dbraw/zinc/87/90/47/1196879047.db2.gz HOYQGIYDUPOPGO-APWZRJJASA-N 1 3 357.502 0.887 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@H]2CC[N@@H+](CCc3ccnn3C)[C@@H]2C)CC1 ZINC001089059299 1196879051 /nfs/dbraw/zinc/87/90/51/1196879051.db2.gz HOYQGIYDUPOPGO-APWZRJJASA-N 1 3 357.502 0.887 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)N(C)C)C[C@@H]1n1ccnn1 ZINC001129994449 1201464979 /nfs/dbraw/zinc/46/49/79/1201464979.db2.gz OTPWALZJUXUJIC-IXDOHACOSA-N 1 3 364.494 0.408 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2cncc2C)n1 ZINC001130223477 1201553304 /nfs/dbraw/zinc/55/33/04/1201553304.db2.gz WHTDMWUTBBWNPK-KBPBESRZSA-N 1 3 359.434 0.274 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cncc2C)[nH]1 ZINC001130223477 1201553308 /nfs/dbraw/zinc/55/33/08/1201553308.db2.gz WHTDMWUTBBWNPK-KBPBESRZSA-N 1 3 359.434 0.274 20 30 FCEDHO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C[NH+](C)C)CC3)n[n-]2)O1 ZINC001130802302 1202803363 /nfs/dbraw/zinc/80/33/63/1202803363.db2.gz NAZNJFSPVGBDKY-UONOGXRCSA-N 1 3 360.462 0.206 20 30 FCEDHO C=CCOCC[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1c1cncn1C ZINC001131115655 1202864682 /nfs/dbraw/zinc/86/46/82/1202864682.db2.gz SATVHKIYLTYSGA-IAGOWNOFSA-N 1 3 363.506 0.849 20 30 FCEDHO COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001131464455 1202900028 /nfs/dbraw/zinc/90/00/28/1202900028.db2.gz RVIQOJFZBBAZPM-QRVBRYPASA-N 1 3 363.502 0.716 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC001086882383 1204856714 /nfs/dbraw/zinc/85/67/14/1204856714.db2.gz OTYDYVJHGGPHSP-FUHWJXTLSA-N 1 3 360.502 0.438 20 30 FCEDHO COCC#CCN[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001182661304 1206442011 /nfs/dbraw/zinc/44/20/11/1206442011.db2.gz KXZCNEXKLIUDGP-QRVBRYPASA-N 1 3 363.502 0.574 20 30 FCEDHO C[N@@H+]1C[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001185783672 1206485365 /nfs/dbraw/zinc/48/53/65/1206485365.db2.gz AUOSEXVFVCOOHG-KURKYZTESA-N 1 3 369.469 0.162 20 30 FCEDHO C[N@H+]1C[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC#N)C2)[C@@H](c2ccccc2)C1 ZINC001185783672 1206485367 /nfs/dbraw/zinc/48/53/67/1206485367.db2.gz AUOSEXVFVCOOHG-KURKYZTESA-N 1 3 369.469 0.162 20 30 FCEDHO C=CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001193057263 1207857951 /nfs/dbraw/zinc/85/79/51/1207857951.db2.gz MFZDHMYWVAFTOE-MKXGPGLRSA-N 1 3 365.518 0.861 20 30 FCEDHO N#Cc1ccccc1C(=O)N1CCC(NC(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001220915077 1225137738 /nfs/dbraw/zinc/13/77/38/1225137738.db2.gz LRQLEVSYRPIJSR-SFHVURJKSA-N 1 3 369.469 0.606 20 30 FCEDHO CCOC(=O)[C@H]1CN(CC[NH+](C)C)C(=O)C12CCN(CCCC#N)CC2 ZINC001276951108 1225760797 /nfs/dbraw/zinc/76/07/97/1225760797.db2.gz DEEQBTUZZZWWJA-MRXNPFEDSA-N 1 3 364.490 0.955 20 30 FCEDHO C=CCN[C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1n1ccnn1 ZINC001070308294 1219365911 /nfs/dbraw/zinc/36/59/11/1219365911.db2.gz LKEFWEJNDYYWGA-MSOLQXFVSA-N 1 3 358.490 0.928 20 30 FCEDHO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)C1 ZINC001228136824 1225896464 /nfs/dbraw/zinc/89/64/64/1225896464.db2.gz BYGUWZSYMRXJAR-BRWVUGGUSA-N 1 3 363.506 0.765 20 30 FCEDHO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)C1 ZINC001228136824 1225896465 /nfs/dbraw/zinc/89/64/65/1225896465.db2.gz BYGUWZSYMRXJAR-BRWVUGGUSA-N 1 3 363.506 0.765 20 30 FCEDHO C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1c1cncn1C ZINC001070670579 1219517142 /nfs/dbraw/zinc/51/71/42/1219517142.db2.gz ZMOQMWCQANNZIZ-ZORLRNLNSA-N 1 3 371.485 0.353 20 30 FCEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000841911026 1222831900 /nfs/dbraw/zinc/83/19/00/1222831900.db2.gz WVRFGUWSVSYDBU-IAGOWNOFSA-N 1 3 363.506 0.231 20 30 FCEDHO CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CCC#N)[C@@H](O)OC(C)(C)C)C1 ZINC001143203466 1222869619 /nfs/dbraw/zinc/86/96/19/1222869619.db2.gz VXVQFHGRGRLGHS-JBJRXJHCSA-N 1 3 370.494 0.586 20 30 FCEDHO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(Cc3ccc(C#N)cn3)C2)C1=O ZINC001276503867 1223407666 /nfs/dbraw/zinc/40/76/66/1223407666.db2.gz UKDKDKCRMATGQC-IBGZPJMESA-N 1 3 355.442 0.856 20 30 FCEDHO C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216400848 1224048637 /nfs/dbraw/zinc/04/86/37/1224048637.db2.gz AVOIIIQNVQVVGA-IAGOWNOFSA-N 1 3 368.522 0.426 20 30 FCEDHO CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(CC)CCC#N)C1 ZINC001216490657 1224052979 /nfs/dbraw/zinc/05/29/79/1224052979.db2.gz IZNPCLGYJJIWFN-IAGOWNOFSA-N 1 3 365.522 0.917 20 30 FCEDHO CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(CC)CCC#N)C1 ZINC001216490657 1224052983 /nfs/dbraw/zinc/05/29/83/1224052983.db2.gz IZNPCLGYJJIWFN-IAGOWNOFSA-N 1 3 365.522 0.917 20 30 FCEDHO C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216774372 1224071764 /nfs/dbraw/zinc/07/17/64/1224071764.db2.gz VRZGVTYHOGLFDL-FGTMMUONSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)C(=O)NCCC)C2)CC1 ZINC001216843065 1224078039 /nfs/dbraw/zinc/07/80/39/1224078039.db2.gz UEHVPRGMZBGWOB-SOLBZPMBSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CC1 ZINC001082941337 1257159423 /nfs/dbraw/zinc/15/94/23/1257159423.db2.gz HTGIYBVLOOBISA-KBAYOESNSA-N 1 3 360.502 0.389 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H]3CCN(CC)C3=O)C2)CC1 ZINC001082940904 1257159605 /nfs/dbraw/zinc/15/96/05/1257159605.db2.gz ADTHVXLHSDFHFG-BPQIPLTHSA-N 1 3 360.502 0.389 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)CC(C)(C)C)C[C@H]1C ZINC001106672463 1258938089 /nfs/dbraw/zinc/93/80/89/1258938089.db2.gz XEBFYZFKIUMPFB-BRWVUGGUSA-N 1 3 364.534 0.786 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2C(C)C)C[C@H]1C ZINC001106728995 1258949260 /nfs/dbraw/zinc/94/92/60/1258949260.db2.gz CAJVHTZIRHHZPB-KZNAEPCWSA-N 1 3 362.518 0.683 20 30 FCEDHO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102044980 844394692 /nfs/dbraw/zinc/39/46/92/844394692.db2.gz MNSSRHRCCMKFHS-BZUAXINKSA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)[C@H](C)C1 ZINC001102044980 844394695 /nfs/dbraw/zinc/39/46/95/844394695.db2.gz MNSSRHRCCMKFHS-BZUAXINKSA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051997 844398179 /nfs/dbraw/zinc/39/81/79/844398179.db2.gz XUXCYSVJLCPMOS-OWCLPIDISA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CN(C)C2CCC2)[C@H](C)C1 ZINC001102051997 844398186 /nfs/dbraw/zinc/39/81/86/844398186.db2.gz XUXCYSVJLCPMOS-OWCLPIDISA-N 1 3 350.507 0.846 20 30 FCEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523105 841121762 /nfs/dbraw/zinc/12/17/62/841121762.db2.gz NNHSKUFQUNHLPN-KURKYZTESA-N 1 3 351.491 0.757 20 30 FCEDHO C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523105 841121765 /nfs/dbraw/zinc/12/17/65/841121765.db2.gz NNHSKUFQUNHLPN-KURKYZTESA-N 1 3 351.491 0.757 20 30 FCEDHO C#CCOC[C@H](O)C[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC001277713682 862026824 /nfs/dbraw/zinc/02/68/24/862026824.db2.gz WPMDSRMNMXFBLV-QGZVFWFLSA-N 1 3 351.491 0.263 20 30 FCEDHO N[C@H]1CN(C(=O)c2cccc(NC(=O)[C@@H]3C[C@H](S)C[NH2+]3)c2)C[C@H]1F ZINC001157556070 849980538 /nfs/dbraw/zinc/98/05/38/849980538.db2.gz SRODBSCIRJAHCI-CRWXNKLISA-N 1 3 352.435 0.407 20 30 FCEDHO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215557954 855128140 /nfs/dbraw/zinc/12/81/40/855128140.db2.gz GKKWSQXTQCPNPP-BZUAXINKSA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001216772943 855238155 /nfs/dbraw/zinc/23/81/55/855238155.db2.gz RCFGRZMHZWXSLV-IAGOWNOFSA-N 1 3 350.507 0.991 20 30 FCEDHO N#CC1(NC(=O)[C@@H](N)CSCC[NH3+])CCN(Cc2ccccc2)CC1 ZINC001220646237 856218035 /nfs/dbraw/zinc/21/80/35/856218035.db2.gz QBNSOCJETLWOGZ-INIZCTEOSA-N 1 3 361.515 0.680 20 30 FCEDHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000419963195 246390739 /nfs/dbraw/zinc/39/07/39/246390739.db2.gz UTPBPCLMZBVMDG-SFHVURJKSA-N 1 3 373.501 0.938 20 30 FCEDHO COc1ccc(CNC(=[NH2+])NC[C@H](C)CN2CCN(C)CC2)cc1OC ZINC000264083165 533551223 /nfs/dbraw/zinc/55/12/23/533551223.db2.gz IDNGSEDWCXIGSC-HNNXBMFYSA-N 1 3 363.506 0.992 20 30 FCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000276601271 488785438 /nfs/dbraw/zinc/78/54/38/488785438.db2.gz IDEHLCJHAQTQIF-HNNXBMFYSA-N 1 3 368.503 0.341 20 30 FCEDHO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000369399382 489232601 /nfs/dbraw/zinc/23/26/01/489232601.db2.gz BUDFCVITFFLQOF-SFHVURJKSA-N 1 3 365.522 0.343 20 30 FCEDHO C=CCN1CCC(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000417527690 489656671 /nfs/dbraw/zinc/65/66/71/489656671.db2.gz NNIIAHVJQXZOBV-INIZCTEOSA-N 1 3 351.495 0.666 20 30 FCEDHO C=CCN1CCC(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000417525835 489657163 /nfs/dbraw/zinc/65/71/63/489657163.db2.gz LOHSQKUSOMBMPN-AWEZNQCLSA-N 1 3 363.428 0.772 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418300523 489689864 /nfs/dbraw/zinc/68/98/64/489689864.db2.gz PYYVKCOXUXZWJK-UHFFFAOYSA-N 1 3 372.517 0.927 20 30 FCEDHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000420002090 489878684 /nfs/dbraw/zinc/87/86/84/489878684.db2.gz SATHELGVXKFBRQ-QGZVFWFLSA-N 1 3 359.474 0.548 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420095737 489909959 /nfs/dbraw/zinc/90/99/59/489909959.db2.gz SWZQEOHQOZBSKD-UHFFFAOYSA-N 1 3 357.458 0.446 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423073301 490536525 /nfs/dbraw/zinc/53/65/25/490536525.db2.gz INBLDIZFFLIBJQ-HDICACEKSA-N 1 3 369.469 0.126 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000557730204 491394120 /nfs/dbraw/zinc/39/41/20/491394120.db2.gz AHZAEGQIPQDWKV-HNNXBMFYSA-N 1 3 350.507 0.942 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000568427927 491576941 /nfs/dbraw/zinc/57/69/41/491576941.db2.gz VBLTWHBKKISVRT-UHFFFAOYSA-N 1 3 350.507 0.991 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000561437503 491608560 /nfs/dbraw/zinc/60/85/60/491608560.db2.gz JFYUPUJIXUAECO-NVXWUHKLSA-N 1 3 350.507 0.942 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000561437503 491608562 /nfs/dbraw/zinc/60/85/62/491608562.db2.gz JFYUPUJIXUAECO-NVXWUHKLSA-N 1 3 350.507 0.942 20 30 FCEDHO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc2c1CCNC2 ZINC000591284884 491800870 /nfs/dbraw/zinc/80/08/70/491800870.db2.gz MRAPMYVUFYWYOH-UHFFFAOYSA-N 1 3 357.458 0.965 20 30 FCEDHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC#CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000681339440 493757609 /nfs/dbraw/zinc/75/76/09/493757609.db2.gz MWVMMVGAESVKMY-USTZCAOPSA-N 1 3 362.518 0.968 20 30 FCEDHO C[C@@H]1CC[C@H](C)N1CC(=O)NCC#CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000681339440 493757611 /nfs/dbraw/zinc/75/76/11/493757611.db2.gz MWVMMVGAESVKMY-USTZCAOPSA-N 1 3 362.518 0.968 20 30 FCEDHO C[NH+]=C(NCCNc1ccncc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262516093 526362423 /nfs/dbraw/zinc/36/24/23/526362423.db2.gz CRYKXTVXDWAHDJ-INIZCTEOSA-N 1 3 360.462 0.392 20 30 FCEDHO CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419912352 535861389 /nfs/dbraw/zinc/86/13/89/535861389.db2.gz LCHPVAIFPYPZJU-KRWDZBQOSA-N 1 3 371.485 0.564 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000553733392 547302842 /nfs/dbraw/zinc/30/28/42/547302842.db2.gz PHWYSYCVNBEWPP-INIZCTEOSA-N 1 3 350.507 0.943 20 30 FCEDHO C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000553733392 547302845 /nfs/dbraw/zinc/30/28/45/547302845.db2.gz PHWYSYCVNBEWPP-INIZCTEOSA-N 1 3 350.507 0.943 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+][C@H]2CCNC2=O)CC1 ZINC001087249282 1180025678 /nfs/dbraw/zinc/02/56/78/1180025678.db2.gz SXWAIOLDKCEIDH-NJAFHUGGSA-N 1 3 360.502 0.437 20 30 FCEDHO C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001105067428 1183099982 /nfs/dbraw/zinc/09/99/82/1183099982.db2.gz ZZZPGKASWCGDQP-KZNAEPCWSA-N 1 3 362.518 0.684 20 30 FCEDHO C[C@H]1CCN(CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001112529859 1186092725 /nfs/dbraw/zinc/09/27/25/1186092725.db2.gz RXUMDHDVGYKAJL-BXWFABGCSA-N 1 3 361.490 0.186 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112536231 1188354580 /nfs/dbraw/zinc/35/45/80/1188354580.db2.gz YITBDTGFDYYJSI-DOXZYTNZSA-N 1 3 357.458 0.308 20 30 FCEDHO COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455543 1197933052 /nfs/dbraw/zinc/93/30/52/1197933052.db2.gz ZMGFDADMRXUFJM-MJQPBPLVSA-N 1 3 361.486 0.184 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC=C)C2)CC1 ZINC001087010955 1204898053 /nfs/dbraw/zinc/89/80/53/1204898053.db2.gz ZZESHECPIUCRLB-RBUKOAKNSA-N 1 3 355.486 0.835 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCc3ccnn3C)C[C@H]2C)CC1 ZINC001093223666 1206062373 /nfs/dbraw/zinc/06/23/73/1206062373.db2.gz GGMPQOTYEUYUSQ-IEBWSBKVSA-N 1 3 371.529 0.992 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2C)CC1 ZINC001093223666 1206062375 /nfs/dbraw/zinc/06/23/75/1206062375.db2.gz GGMPQOTYEUYUSQ-IEBWSBKVSA-N 1 3 371.529 0.992 20 30 FCEDHO C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3CCN(CC#C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093480913 1206090484 /nfs/dbraw/zinc/09/04/84/1206090484.db2.gz QISZTNAWMHINEF-VMBXEPDQSA-N 1 3 371.525 0.931 20 30 FCEDHO 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C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)CC1 ZINC000949522387 1212401134 /nfs/dbraw/zinc/40/11/34/1212401134.db2.gz KRKDLKMHCWBJPX-PSBWJHGTSA-N 1 3 374.529 0.635 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC=C)C2)CC1 ZINC001070566480 1219472614 /nfs/dbraw/zinc/47/26/14/1219472614.db2.gz QVLQRWFNTRNGSH-PKOBYXMFSA-N 1 3 355.486 0.835 20 30 FCEDHO C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n1 ZINC001070587088 1219479505 /nfs/dbraw/zinc/47/95/05/1219479505.db2.gz ZKNMXFWXJNQWOC-RRFJBIMHSA-N 1 3 360.462 0.158 20 30 FCEDHO C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)n1 ZINC001070587088 1219479509 /nfs/dbraw/zinc/47/95/09/1219479509.db2.gz ZKNMXFWXJNQWOC-RRFJBIMHSA-N 1 3 360.462 0.158 20 30 FCEDHO C#CCN1CCOC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)n[nH]1 ZINC001070587088 1219479512 /nfs/dbraw/zinc/47/95/12/1219479512.db2.gz ZKNMXFWXJNQWOC-RRFJBIMHSA-N 1 3 360.462 0.158 20 30 FCEDHO C#CCN1CCOC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)n[nH]1 ZINC001070587088 1219479515 /nfs/dbraw/zinc/47/95/15/1219479515.db2.gz ZKNMXFWXJNQWOC-RRFJBIMHSA-N 1 3 360.462 0.158 20 30 FCEDHO C#CCN1CCOC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[nH]1 ZINC001070587088 1219479519 /nfs/dbraw/zinc/47/95/19/1219479519.db2.gz ZKNMXFWXJNQWOC-RRFJBIMHSA-N 1 3 360.462 0.158 20 30 FCEDHO C#CCN1CCOC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[nH]1 ZINC001070587088 1219479523 /nfs/dbraw/zinc/47/95/23/1219479523.db2.gz ZKNMXFWXJNQWOC-RRFJBIMHSA-N 1 3 360.462 0.158 20 30 FCEDHO C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C2CCN(CC#C)CC2)CC1 ZINC001071106763 1219608602 /nfs/dbraw/zinc/60/86/02/1219608602.db2.gz UKEFPLGXWKFXIM-UXHICEINSA-N 1 3 357.498 0.951 20 30 FCEDHO C=CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994108 1220817449 /nfs/dbraw/zinc/81/74/49/1220817449.db2.gz QJOWPSMMDJPSPQ-KBAYOESNSA-N 1 3 362.518 0.705 20 30 FCEDHO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001103049817 1220823794 /nfs/dbraw/zinc/82/37/94/1220823794.db2.gz GPVNJORXGWYGFD-ZACQAIPSSA-N 1 3 368.497 0.490 20 30 FCEDHO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)CN(CC)CC)C1 ZINC001103049817 1220823795 /nfs/dbraw/zinc/82/37/95/1220823795.db2.gz GPVNJORXGWYGFD-ZACQAIPSSA-N 1 3 368.497 0.490 20 30 FCEDHO C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001103049816 1220824036 /nfs/dbraw/zinc/82/40/36/1220824036.db2.gz GPVNJORXGWYGFD-BRWVUGGUSA-N 1 3 368.497 0.490 20 30 FCEDHO C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)CN(CC)CC)C1 ZINC001103049816 1220824037 /nfs/dbraw/zinc/82/40/37/1220824037.db2.gz GPVNJORXGWYGFD-BRWVUGGUSA-N 1 3 368.497 0.490 20 30 FCEDHO C#CCN(C)CCCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000841911025 1222831333 /nfs/dbraw/zinc/83/13/33/1222831333.db2.gz WVRFGUWSVSYDBU-DLBZAZTESA-N 1 3 363.506 0.231 20 30 FCEDHO CCOC(=O)[C@]12CN(C(=O)C[C@@H](N)c3ccc(C#N)cc3)C[C@H]1C[NH2+]CC2 ZINC001160812409 1223175398 /nfs/dbraw/zinc/17/53/98/1223175398.db2.gz PRPASGPXTIKKHI-MBOZVWFJSA-N 1 3 370.453 0.949 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001215219455 1223983091 /nfs/dbraw/zinc/98/30/91/1223983091.db2.gz CJTGMIYBHZOPAC-VQIMIIECSA-N 1 3 370.497 0.590 20 30 FCEDHO C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC2([NH+](C)C)CCCC2)C[C@H]1C ZINC001215234140 1223984955 /nfs/dbraw/zinc/98/49/55/1223984955.db2.gz FQCZFQOFQVDCQI-IXDOHACOSA-N 1 3 362.518 0.825 20 30 FCEDHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NCC#Cc1ccccc1 ZINC001215461221 1224000454 /nfs/dbraw/zinc/00/04/54/1224000454.db2.gz WZZUVISPXVFPCV-IEBWSBKVSA-N 1 3 370.497 0.543 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCC3)C[C@@H]2O)CC1 ZINC001084090031 1257914875 /nfs/dbraw/zinc/91/48/75/1257914875.db2.gz HAJRLGZABWBNHM-QYZOEREBSA-N 1 3 363.502 0.308 20 30 FCEDHO 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ZINC001574603607 1271407064 /nfs/dbraw/zinc/40/70/64/1271407064.db2.gz BUHNHHSDRLSDGP-KRWDZBQOSA-N 1 3 373.549 0.841 20 30 FCEDHO C#CCN1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCc3cn[nH]n3)C2)CC1 ZINC001574966924 1271686336 /nfs/dbraw/zinc/68/63/36/1271686336.db2.gz LHVPSAWKKBXKDL-AEFFLSMTSA-N 1 3 372.517 0.767 20 30 FCEDHO COC(=O)[C@@H]1CN(C(=O)C(C#N)Cc2ccc(C#N)cc2)CC12C[NH2+]C2 ZINC001578792060 1276276469 /nfs/dbraw/zinc/27/64/69/1276276469.db2.gz SDLCWSTWBRENOB-CVEARBPZSA-N 1 3 352.394 0.462 20 30 FCEDHO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC(N3CCC[C@H]3C(N)=O)CC1)C2 ZINC001580041642 1277997571 /nfs/dbraw/zinc/99/75/71/1277997571.db2.gz FYLCEZYZVZGOPH-XLMXBGDPSA-N 1 3 359.474 0.066 20 30 FCEDHO C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524728 844551507 /nfs/dbraw/zinc/55/15/07/844551507.db2.gz SZJYFWHUQIWXLQ-IXDOHACOSA-N 1 3 350.507 0.540 20 30 FCEDHO C#CCNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001102524728 844551512 /nfs/dbraw/zinc/55/15/12/844551512.db2.gz SZJYFWHUQIWXLQ-IXDOHACOSA-N 1 3 350.507 0.540 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001103156573 844712358 /nfs/dbraw/zinc/71/23/58/844712358.db2.gz LOGKCACKBROWNI-HZPDHXFCSA-N 1 3 350.507 0.540 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103156573 844712363 /nfs/dbraw/zinc/71/23/63/844712363.db2.gz LOGKCACKBROWNI-HZPDHXFCSA-N 1 3 350.507 0.540 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103665647 844797654 /nfs/dbraw/zinc/79/76/54/844797654.db2.gz NZSUJVHRNJVVMF-BRWVUGGUSA-N 1 3 350.507 0.540 20 30 FCEDHO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN(C)CCC)C1 ZINC001103665647 844797661 /nfs/dbraw/zinc/79/76/61/844797661.db2.gz NZSUJVHRNJVVMF-BRWVUGGUSA-N 1 3 350.507 0.540 20 30 FCEDHO C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001104291364 844891196 /nfs/dbraw/zinc/89/11/96/844891196.db2.gz NRPVSINLVOIGFN-KYJSFNMBSA-N 1 3 350.507 0.703 20 30 FCEDHO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCCN2CC)C[C@H]1C ZINC001107036512 845316075 /nfs/dbraw/zinc/31/60/75/845316075.db2.gz MZZUNUNZRNSTMV-BRWVUGGUSA-N 1 3 350.507 0.847 20 30 FCEDHO C=C[C@H](O)C[N@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276814784 861624465 /nfs/dbraw/zinc/62/44/65/861624465.db2.gz KHDWMMFWVGTLJZ-PKOBYXMFSA-N 1 3 350.507 0.238 20 30 FCEDHO C=C[C@H](O)C[N@@H+]1CCC[C@]12CCN(CCCN1CCN(C)CC1)C2=O ZINC001276814784 861624472 /nfs/dbraw/zinc/62/44/72/861624472.db2.gz KHDWMMFWVGTLJZ-PKOBYXMFSA-N 1 3 350.507 0.238 20 30 FCEDHO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H](CC)N(C)C)C2 ZINC001112425308 846502812 /nfs/dbraw/zinc/50/28/12/846502812.db2.gz HJXQIXGFLYSFOI-FCEWJHQRSA-N 1 3 350.507 0.847 20 30 FCEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@@H+](C)CC)CC1 ZINC001130305214 848998582 /nfs/dbraw/zinc/99/85/82/848998582.db2.gz NXASDQMUDLCXTC-APWZRJJASA-N 1 3 350.507 0.990 20 30 FCEDHO C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001130305214 848998590 /nfs/dbraw/zinc/99/85/90/848998590.db2.gz NXASDQMUDLCXTC-APWZRJJASA-N 1 3 350.507 0.990 20 30 FCEDHO C=C(C)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)N(C)C)CC[C@@H]1[NH3+] ZINC001142515489 849446589 /nfs/dbraw/zinc/44/65/89/849446589.db2.gz OJSQXHQGOQOVQL-CUINURIISA-N 1 3 357.495 0.858 20 30 FCEDHO C=CCOC[C@H](O)C[N@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277775312 862067655 /nfs/dbraw/zinc/06/76/55/862067655.db2.gz MUKPULLYCXBSMF-IEBWSBKVSA-N 1 3 353.507 0.816 20 30 FCEDHO C=CCOC[C@H](O)C[N@@H+]1CCC[C@]2(CCN(CCN(C)C)C2=O)CC1 ZINC001277775312 862067666 /nfs/dbraw/zinc/06/76/66/862067666.db2.gz MUKPULLYCXBSMF-IEBWSBKVSA-N 1 3 353.507 0.816 20 30 FCEDHO C=CCOCCN1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189545039 851800673 /nfs/dbraw/zinc/80/06/73/851800673.db2.gz YJWANRZPXOQTJQ-FUHWJXTLSA-N 1 3 351.491 0.833 20 30 FCEDHO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214343752 854928285 /nfs/dbraw/zinc/92/82/85/854928285.db2.gz FIJPFXDOHVHYEF-BRWVUGGUSA-N 1 3 350.507 0.942 20 30 FCEDHO C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001216841086 855255311 /nfs/dbraw/zinc/25/53/11/855255311.db2.gz PBJDGKQYKNPBCY-IXDOHACOSA-N 1 3 350.507 0.990 20 30 FCEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794787 855815499 /nfs/dbraw/zinc/81/54/99/855815499.db2.gz OOVYOMBFMRGALQ-KURKYZTESA-N 1 3 351.491 0.757 20 30 FCEDHO C=CCCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794787 855815505 /nfs/dbraw/zinc/81/55/05/855815505.db2.gz OOVYOMBFMRGALQ-KURKYZTESA-N 1 3 351.491 0.757 20 30 FCEDHO NCCC[NH2+]CCCCn1cc(COS(=O)(=O)c2ccccc2)nn1 ZINC001254162438 857944955 /nfs/dbraw/zinc/94/49/55/857944955.db2.gz AUYZQPZRPNXYNA-UHFFFAOYSA-N 1 3 367.475 0.902 20 30 FCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1CCC(C#N)CC1 ZINC001330242104 872539032 /nfs/dbraw/zinc/53/90/32/872539032.db2.gz SRUKSKLYUQPQHZ-UHFFFAOYSA-N 1 3 351.495 0.384 20 30 FCEDHO C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2NC(C)(C)O[C@@H]2C)CC1 ZINC000419722630 246269367 /nfs/dbraw/zinc/26/93/67/246269367.db2.gz DZLPTDFHDCBIII-HIFRSBDPSA-N 1 3 352.479 0.372 20 30 FCEDHO COc1ccc(CCNC(=[NH2+])NCCN2CCCN(C)CC2)cc1OC ZINC000264063809 533478657 /nfs/dbraw/zinc/47/86/57/533478657.db2.gz AIVFNJCIISTDNH-UHFFFAOYSA-N 1 3 363.506 0.788 20 30 FCEDHO C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000171741202 488826830 /nfs/dbraw/zinc/82/68/30/488826830.db2.gz NFUFLZNTMLJNGN-UHFFFAOYSA-N 1 3 363.506 0.586 20 30 FCEDHO C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000642769902 492387551 /nfs/dbraw/zinc/38/75/51/492387551.db2.gz YNMQUHUYCLDCMJ-GVDBMIGSSA-N 1 3 366.506 0.376 20 30 FCEDHO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)NC1CCN(C2CC2)CC1 ZINC000262378172 527385555 /nfs/dbraw/zinc/38/55/55/527385555.db2.gz JXLDYLWHDPKHTF-CQSZACIVSA-N 1 3 356.536 0.992 20 30 FCEDHO CCOC1CC(CNC(=[NH2+])NC[C@@H]2CCCN2CC)(N2CCOCC2)C1 ZINC000193827545 528480748 /nfs/dbraw/zinc/48/07/48/528480748.db2.gz AWOORWPWJCJOEJ-MUYFXNHWSA-N 1 3 367.538 0.645 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(S(=O)(=O)NC)c1 ZINC000264088890 529074455 /nfs/dbraw/zinc/07/44/55/529074455.db2.gz KIPUJTGITLRUFD-CQSZACIVSA-N 1 3 353.492 0.483 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(=O)NCCN(C)C)c1 ZINC000264072908 529074903 /nfs/dbraw/zinc/07/49/03/529074903.db2.gz DPLAVQWFOTWZHL-GOSISDBHSA-N 1 3 374.533 0.867 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)CC1 ZINC000553674993 547299457 /nfs/dbraw/zinc/29/94/57/547299457.db2.gz NOGPIWAPCXAHKE-MRXNPFEDSA-N 1 3 350.507 0.943 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CCC)C2)CC1 ZINC000553674993 547299460 /nfs/dbraw/zinc/29/94/60/547299460.db2.gz NOGPIWAPCXAHKE-MRXNPFEDSA-N 1 3 350.507 0.943 20 30 FCEDHO N#Cc1c2c(sc1NC(=O)c1cnc(N3CC[NH2+]CC3)cn1)CNCC2 ZINC001218553467 1224172984 /nfs/dbraw/zinc/17/29/84/1224172984.db2.gz QDKKWYPPWJBZGJ-UHFFFAOYSA-N 1 3 369.454 0.717 20 30 FCEDHO C=CCN[C@@H]1CN(C(=O)COC[C@H](C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130009325 1201477758 /nfs/dbraw/zinc/47/77/58/1201477758.db2.gz JLIWYMQVSNSADN-BBWFWOEESA-N 1 3 362.478 0.307 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C2CC2)[NH+](C)C)[n-]1 ZINC001130220675 1201550186 /nfs/dbraw/zinc/55/01/86/1201550186.db2.gz INMSADONLSDKLM-OFQRWUPVSA-N 1 3 362.478 0.409 20 30 FCEDHO C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H](CC)N(C)C)CC1 ZINC001130301957 1201580596 /nfs/dbraw/zinc/58/05/96/1201580596.db2.gz LBNNWFRUUHHBKH-AOIWGVFYSA-N 1 3 362.518 0.825 20 30 FCEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134129155 1203014524 /nfs/dbraw/zinc/01/45/24/1203014524.db2.gz AFEWECSSSXHZBE-JQHSSLGASA-N 1 3 358.486 0.728 20 30 FCEDHO C=CCNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134129155 1203014526 /nfs/dbraw/zinc/01/45/26/1203014526.db2.gz AFEWECSSSXHZBE-JQHSSLGASA-N 1 3 358.486 0.728 20 30 FCEDHO C=C[C@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276815593 1225028818 /nfs/dbraw/zinc/02/88/18/1225028818.db2.gz RNXBNJLBHNDTLY-ICSRJNTNSA-N 1 3 364.534 0.628 20 30 FCEDHO C=C[C@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276815593 1225028827 /nfs/dbraw/zinc/02/88/27/1225028827.db2.gz RNXBNJLBHNDTLY-ICSRJNTNSA-N 1 3 364.534 0.628 20 30 FCEDHO C=C[C@@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276815602 1225029572 /nfs/dbraw/zinc/02/95/72/1225029572.db2.gz RNXBNJLBHNDTLY-UYAOXDASSA-N 1 3 364.534 0.628 20 30 FCEDHO C=C[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCCN1CCN(C)CC1)C2 ZINC001276815602 1225029581 /nfs/dbraw/zinc/02/95/81/1225029581.db2.gz RNXBNJLBHNDTLY-UYAOXDASSA-N 1 3 364.534 0.628 20 30 FCEDHO CC#CCN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cnn(C)c1 ZINC001691700885 1208417302 /nfs/dbraw/zinc/41/73/02/1208417302.db2.gz JUBKSNGLPJCECF-GBESFXJTSA-N 1 3 355.486 0.669 20 30 FCEDHO C=C[C@@H]1C[C@]1(N)C(=O)N[C@H](C(CC)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221067823 1225207368 /nfs/dbraw/zinc/20/73/68/1225207368.db2.gz MPDVCTHXVIIAAA-BGIXRKOTSA-N 1 3 367.490 0.308 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001226767171 1225853958 /nfs/dbraw/zinc/85/39/58/1225853958.db2.gz SLVZQUXDRVEMIE-KZNAEPCWSA-N 1 3 362.518 0.731 20 30 FCEDHO C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001226767171 1225853962 /nfs/dbraw/zinc/85/39/62/1225853962.db2.gz SLVZQUXDRVEMIE-KZNAEPCWSA-N 1 3 362.518 0.731 20 30 FCEDHO C[NH+](C)C1(CC(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)CCCC1 ZINC001227742231 1225883578 /nfs/dbraw/zinc/88/35/78/1225883578.db2.gz NBWDGAJYSFQBAR-HZPDHXFCSA-N 1 3 363.506 0.908 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001070671249 1219517847 /nfs/dbraw/zinc/51/78/47/1219517847.db2.gz FIMFTALGIJNHCK-LMMKCTJWSA-N 1 3 355.486 0.812 20 30 FCEDHO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478243 1220367974 /nfs/dbraw/zinc/36/79/74/1220367974.db2.gz FSOMHAFYHUYLMU-UWVAXJGDSA-N 1 3 362.518 0.894 20 30 FCEDHO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CN(C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478243 1220367980 /nfs/dbraw/zinc/36/79/80/1220367980.db2.gz FSOMHAFYHUYLMU-UWVAXJGDSA-N 1 3 362.518 0.894 20 30 FCEDHO COCC#CCN1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001101981452 1220451531 /nfs/dbraw/zinc/45/15/31/1220451531.db2.gz CEXLZRAIFCBZJG-IAGOWNOFSA-N 1 3 361.490 0.392 20 30 FCEDHO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085259 1220830716 /nfs/dbraw/zinc/83/07/16/1220830716.db2.gz NWRKXBYIMJYHEL-IXDOHACOSA-N 1 3 362.518 0.683 20 30 FCEDHO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(N(C)C)CCC2)C1 ZINC001103085259 1220830717 /nfs/dbraw/zinc/83/07/17/1220830717.db2.gz NWRKXBYIMJYHEL-IXDOHACOSA-N 1 3 362.518 0.683 20 30 FCEDHO COCCN(C)CCN1C[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1=O ZINC001120604836 1222108337 /nfs/dbraw/zinc/10/83/37/1222108337.db2.gz XFHXJKOBBWYMLB-MSOLQXFVSA-N 1 3 360.458 0.360 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001208070762 1223513072 /nfs/dbraw/zinc/51/30/72/1223513072.db2.gz RDERDZGDJVPURE-BRWVUGGUSA-N 1 3 363.506 0.669 20 30 FCEDHO CCN(CCC#N)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070762 1223513074 /nfs/dbraw/zinc/51/30/74/1223513074.db2.gz RDERDZGDJVPURE-BRWVUGGUSA-N 1 3 363.506 0.669 20 30 FCEDHO C=CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001216099603 1224034054 /nfs/dbraw/zinc/03/40/54/1224034054.db2.gz VISMWOQPEPUPTB-HLLBOEOZSA-N 1 3 366.506 0.224 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001084090405 1257914690 /nfs/dbraw/zinc/91/46/90/1257914690.db2.gz YQNCDPXCILCZNF-OTWHNJEPSA-N 1 3 363.502 0.452 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001084090405 1257914695 /nfs/dbraw/zinc/91/46/95/1257914695.db2.gz YQNCDPXCILCZNF-OTWHNJEPSA-N 1 3 363.502 0.452 20 30 FCEDHO C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704780 1258943506 /nfs/dbraw/zinc/94/35/06/1258943506.db2.gz CIPHXUVIJKJFFR-HZPDHXFCSA-N 1 3 359.474 0.837 20 30 FCEDHO C[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001107030493 1259020727 /nfs/dbraw/zinc/02/07/27/1259020727.db2.gz ITTFHHRYVBFXIH-CRAIPNDOSA-N 1 3 371.485 0.686 20 30 FCEDHO C=CCn1c([C@@H]2CCC[NH2+]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001574954647 1271684388 /nfs/dbraw/zinc/68/43/88/1271684388.db2.gz OWTRDMYJHVVXKX-INIZCTEOSA-N 1 3 373.505 0.633 20 30 FCEDHO CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn(CCC[NH3+])nn1 ZINC001578417232 1275786206 /nfs/dbraw/zinc/78/62/06/1275786206.db2.gz SAIYEPYHCFAGSQ-UHFFFAOYSA-N 1 3 355.446 0.703 20 30 FCEDHO CCN(CCNCC(=O)NCC#N)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001699205207 1289548144 /nfs/dbraw/zinc/54/81/44/1289548144.db2.gz LMULRYPUYREVJW-MSOLQXFVSA-N 1 3 371.485 0.410 20 30 FCEDHO CCN(CCNCC(=O)NCC#N)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001699205207 1289548148 /nfs/dbraw/zinc/54/81/48/1289548148.db2.gz LMULRYPUYREVJW-MSOLQXFVSA-N 1 3 371.485 0.410 20 30 FCEDHO C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)CN(C)C(C)C)C2)C1=O ZINC001689021706 1294572793 /nfs/dbraw/zinc/57/27/93/1294572793.db2.gz FSYVVVDCLSMYKS-GVDBMIGSSA-N 1 3 350.507 0.988 20 30 FCEDHO C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103654772 844796114 /nfs/dbraw/zinc/79/61/14/844796114.db2.gz AVPBMMZNTONQSV-IAGOWNOFSA-N 1 3 350.507 0.542 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CN(CC)CC)C[C@H]1C ZINC001104812473 844947480 /nfs/dbraw/zinc/94/74/80/844947480.db2.gz QCJPGKUABGLBMV-IXDOHACOSA-N 1 3 350.507 0.540 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)CCC)[n-]1 ZINC001130251330 848988032 /nfs/dbraw/zinc/98/80/32/848988032.db2.gz NUSDQSWHCKXULO-KBPBESRZSA-N 1 3 350.467 0.411 20 30 FCEDHO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)CCC)[n-]1 ZINC001130251330 848988036 /nfs/dbraw/zinc/98/80/36/848988036.db2.gz NUSDQSWHCKXULO-KBPBESRZSA-N 1 3 350.467 0.411 20 30 FCEDHO C=CCNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001216169490 855177761 /nfs/dbraw/zinc/17/77/61/855177761.db2.gz DHHQEESVIXGXAW-NVXWUHKLSA-N 1 3 350.507 0.846 20 30 FCEDHO C=CCN1CC[C@H](N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)C1=O ZINC001216464985 855205850 /nfs/dbraw/zinc/20/58/50/855205850.db2.gz WGJSYXCNXNPEIL-IXDOHACOSA-N 1 3 350.507 0.942 20 30 FCEDHO C=CCN1CC[C@@H](N[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C)C1=O ZINC001216464982 855206202 /nfs/dbraw/zinc/20/62/02/855206202.db2.gz WGJSYXCNXNPEIL-BRWVUGGUSA-N 1 3 350.507 0.942 20 30 FCEDHO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN(C)CCC)C[C@H]1C ZINC001216516081 855210789 /nfs/dbraw/zinc/21/07/89/855210789.db2.gz ZCKZEODWUHTBQS-IAGOWNOFSA-N 1 3 350.507 0.965 20 30 FCEDHO N#Cc1cnc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(Br)c1 ZINC001218552260 855438500 /nfs/dbraw/zinc/43/85/00/855438500.db2.gz OIZQSYHBWJMMAO-QMTHXVAHSA-N 1 3 350.220 0.853 20 30 FCEDHO C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794788 855816160 /nfs/dbraw/zinc/81/61/60/855816160.db2.gz OOVYOMBFMRGALQ-SQNIBIBYSA-N 1 3 351.491 0.757 20 30 FCEDHO C=CCCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794788 855816164 /nfs/dbraw/zinc/81/61/64/855816164.db2.gz OOVYOMBFMRGALQ-SQNIBIBYSA-N 1 3 351.491 0.757 20 30 FCEDHO CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001221292002 856539686 /nfs/dbraw/zinc/53/96/86/856539686.db2.gz CEKPCHJATSXJOX-MPGHIAIKSA-N 1 3 351.495 0.878 20 30 FCEDHO C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)C(C)C ZINC000419572758 246207555 /nfs/dbraw/zinc/20/75/55/246207555.db2.gz QXDSPMAHZKDKCE-LPHOPBHVSA-N 1 3 350.507 0.999 20 30 FCEDHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC000420121431 489920124 /nfs/dbraw/zinc/92/01/24/489920124.db2.gz KOEIYEWQQAAQAI-YJBOKZPZSA-N 1 3 371.485 0.705 20 30 FCEDHO C[C@@H]([NH2+]CCCCN1CCN(CCO)CC1)C(=O)Nc1ccccc1C#N ZINC000512247997 490667873 /nfs/dbraw/zinc/66/78/73/490667873.db2.gz COVRDJRUQCDIDO-QGZVFWFLSA-N 1 3 373.501 0.865 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000572971792 491404738 /nfs/dbraw/zinc/40/47/38/491404738.db2.gz PQIMAACTYFGWLG-UHFFFAOYSA-N 1 3 350.507 0.991 20 30 FCEDHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000575636812 491556641 /nfs/dbraw/zinc/55/66/41/491556641.db2.gz YDBOFWHNPQZTQK-UHFFFAOYSA-N 1 3 359.474 0.468 20 30 FCEDHO O=C(NCC#CCNC(=O)[C@@H]1CCCN1C1CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000683869565 493375464 /nfs/dbraw/zinc/37/54/64/493375464.db2.gz QWDRXWWFBDZPNM-HDICACEKSA-N 1 3 358.486 0.476 20 30 FCEDHO O=C(NCC#CCNC(=O)[C@@H]1CCCN1C1CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000683869565 493375466 /nfs/dbraw/zinc/37/54/66/493375466.db2.gz QWDRXWWFBDZPNM-HDICACEKSA-N 1 3 358.486 0.476 20 30 FCEDHO O=C(NCC#CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[C@H]1CCCN1C1CC1 ZINC000683869565 493375469 /nfs/dbraw/zinc/37/54/69/493375469.db2.gz QWDRXWWFBDZPNM-HDICACEKSA-N 1 3 358.486 0.476 20 30 FCEDHO O=C(NCC#CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@H]1CCCN1C1CC1 ZINC000683869565 493375471 /nfs/dbraw/zinc/37/54/71/493375471.db2.gz QWDRXWWFBDZPNM-HDICACEKSA-N 1 3 358.486 0.476 20 30 FCEDHO [NH2+]=C(NC[C@@H]1CN2CCN1CC2)NC1CCN(Cc2ccccc2)CC1 ZINC000262765514 534834127 /nfs/dbraw/zinc/83/41/27/534834127.db2.gz HDLRDKAVXVZWEU-LJQANCHMSA-N 1 3 356.518 0.555 20 30 FCEDHO C[NH+]=C(NCCN1CCCS1(=O)=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000262420970 526355741 /nfs/dbraw/zinc/35/57/41/526355741.db2.gz BAAMWUAIAVNRRV-OAHLLOKOSA-N 1 3 357.524 0.158 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)NCc1ccccc1 ZINC000264133524 529074444 /nfs/dbraw/zinc/07/44/44/529074444.db2.gz YWLVIXSPDOVLMG-MRXNPFEDSA-N 1 3 367.519 0.495 20 30 FCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NS(C)(=O)=O)cc1 ZINC000264085804 529074542 /nfs/dbraw/zinc/07/45/42/529074542.db2.gz JRRJWCWJUOTKTN-OAHLLOKOSA-N 1 3 353.492 0.947 20 30 FCEDHO C=CCc1ccc(OC[C@@H](O)CN2CCC(O)(C[NH3+])CC2)c(OC)c1 ZINC000923383097 667829777 /nfs/dbraw/zinc/82/97/77/667829777.db2.gz WSQNPICZPNORLC-INIZCTEOSA-N 1 3 350.459 0.949 20 30 FCEDHO CC(C)[C@H](C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)N(C)C ZINC001112524611 1183898837 /nfs/dbraw/zinc/89/88/37/1183898837.db2.gz YMIUJAYQCNROTK-WDYCEAGBSA-N 1 3 363.506 0.431 20 30 FCEDHO C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH]cn1)C2 ZINC001112535855 1188323003 /nfs/dbraw/zinc/32/30/03/1188323003.db2.gz DKDGDCMQHQEGOI-VCBZYWHSSA-N 1 3 359.474 0.861 20 30 FCEDHO C=CCN1CCC(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000553330290 1193989246 /nfs/dbraw/zinc/98/92/46/1193989246.db2.gz DGRKYBUQZVWIHI-UHFFFAOYSA-N 1 3 366.506 0.322 20 30 FCEDHO C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CN(C)CCC)CC1 ZINC001130306931 1201581769 /nfs/dbraw/zinc/58/17/69/1201581769.db2.gz FUXVZRGNEPXESR-XLIONFOSSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)n[n-]2)O1 ZINC001130816382 1202807306 /nfs/dbraw/zinc/80/73/06/1202807306.db2.gz UIRODRCIRIDYDJ-QLFBSQMISA-N 1 3 360.462 0.206 20 30 FCEDHO C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CC[N@H+](C)C3)n[n-]2)O1 ZINC001130816382 1202807307 /nfs/dbraw/zinc/80/73/07/1202807307.db2.gz UIRODRCIRIDYDJ-QLFBSQMISA-N 1 3 360.462 0.206 20 30 FCEDHO C#CCN[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1c1cnn(C)c1 ZINC001087001656 1204889986 /nfs/dbraw/zinc/88/99/86/1204889986.db2.gz HUKTZTYFHLDJBL-ZWKOTPCHSA-N 1 3 369.473 0.009 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092299585 1205233627 /nfs/dbraw/zinc/23/36/27/1205233627.db2.gz CFMGVHNWPBHAFT-UWVAXJGDSA-N 1 3 358.486 0.000 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092299585 1205233629 /nfs/dbraw/zinc/23/36/29/1205233629.db2.gz CFMGVHNWPBHAFT-UWVAXJGDSA-N 1 3 358.486 0.000 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2C)CC1 ZINC001093224485 1206062738 /nfs/dbraw/zinc/06/27/38/1206062738.db2.gz YSAMMZRBHVEPOY-SJLPKXTDSA-N 1 3 358.490 0.307 20 30 FCEDHO C#CCN1CCC(C(=O)NC[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)CC1 ZINC001093224485 1206062741 /nfs/dbraw/zinc/06/27/41/1206062741.db2.gz YSAMMZRBHVEPOY-SJLPKXTDSA-N 1 3 358.490 0.307 20 30 FCEDHO C#CCOc1cccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1 ZINC000130622783 1210646135 /nfs/dbraw/zinc/64/61/35/1210646135.db2.gz MRODXAXFVANCHL-UHFFFAOYSA-N 1 3 360.458 0.589 20 30 FCEDHO C=CCN1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2CN(C(=O)Cc2c[nH]cn2)C3)C1=O ZINC001099507009 1220017479 /nfs/dbraw/zinc/01/74/79/1220017479.db2.gz ZAJFQQPOSBEXSC-VPWXQRGCSA-N 1 3 371.485 0.957 20 30 FCEDHO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CN(CC)CC)C[C@]3(C)C2)C1=O ZINC001101400349 1220324133 /nfs/dbraw/zinc/32/41/33/1220324133.db2.gz SCNKKCZOWKGDPM-HLIPFELVSA-N 1 3 362.518 0.895 20 30 FCEDHO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CN(CC)CC)C[C@]3(C)C2)C1=O ZINC001101400349 1220324138 /nfs/dbraw/zinc/32/41/38/1220324138.db2.gz SCNKKCZOWKGDPM-HLIPFELVSA-N 1 3 362.518 0.895 20 30 FCEDHO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CN(CC)CC)C[C@]3(C)C2)C1=O ZINC001101400350 1220324166 /nfs/dbraw/zinc/32/41/66/1220324166.db2.gz SCNKKCZOWKGDPM-UWVAXJGDSA-N 1 3 362.518 0.895 20 30 FCEDHO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CN(CC)CC)C[C@]3(C)C2)C1=O ZINC001101400350 1220324175 /nfs/dbraw/zinc/32/41/75/1220324175.db2.gz SCNKKCZOWKGDPM-UWVAXJGDSA-N 1 3 362.518 0.895 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@H+]([C@@H](C)C(=O)NC)C[C@H]2C)CC1 ZINC001103752528 1220963901 /nfs/dbraw/zinc/96/39/01/1220963901.db2.gz KGZMDXNTXDAHCH-SOLBZPMBSA-N 1 3 362.518 0.540 20 30 FCEDHO C#CCN1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]2C)CC1 ZINC001103752528 1220963904 /nfs/dbraw/zinc/96/39/04/1220963904.db2.gz KGZMDXNTXDAHCH-SOLBZPMBSA-N 1 3 362.518 0.540 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](C[C@@H](O)COC)C3)CC1 ZINC001112004330 1221198272 /nfs/dbraw/zinc/19/82/72/1221198272.db2.gz WNUFCJAGGZZNTD-NSHGMRRFSA-N 1 3 363.502 0.310 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](C[C@@H](O)COC)C3)CC1 ZINC001112004330 1221198275 /nfs/dbraw/zinc/19/82/75/1221198275.db2.gz WNUFCJAGGZZNTD-NSHGMRRFSA-N 1 3 363.502 0.310 20 30 FCEDHO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112397118 1221252058 /nfs/dbraw/zinc/25/20/58/1221252058.db2.gz SYTCKMYCTNNHPE-LPHOPBHVSA-N 1 3 360.502 0.438 20 30 FCEDHO C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C1(N(C)C)CCC1)C2 ZINC001112397007 1221252214 /nfs/dbraw/zinc/25/22/14/1221252214.db2.gz OESNRFQALFGWRR-LPHOPBHVSA-N 1 3 362.518 0.991 20 30 FCEDHO C#CCN(C)CCCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000841911028 1222831722 /nfs/dbraw/zinc/83/17/22/1222831722.db2.gz WVRFGUWSVSYDBU-SJORKVTESA-N 1 3 363.506 0.231 20 30 FCEDHO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215540299 1224005195 /nfs/dbraw/zinc/00/51/95/1224005195.db2.gz LELQRPCGXRFCJE-RCCFBDPRSA-N 1 3 362.518 0.965 20 30 FCEDHO C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216214021 1224039356 /nfs/dbraw/zinc/03/93/56/1224039356.db2.gz VITYQWDUXQMGIT-RBSFLKMASA-N 1 3 367.494 0.165 20 30 FCEDHO C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216214021 1224039360 /nfs/dbraw/zinc/03/93/60/1224039360.db2.gz VITYQWDUXQMGIT-RBSFLKMASA-N 1 3 367.494 0.165 20 30 FCEDHO C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](CCCC)C(N)=O)C2)CC1 ZINC001216843039 1224078052 /nfs/dbraw/zinc/07/80/52/1224078052.db2.gz SLDTYOSJLNBKNW-BPQIPLTHSA-N 1 3 362.518 0.812 20 30 FCEDHO C#CC[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)c1ccccc1 ZINC001328768907 1265609805 /nfs/dbraw/zinc/60/98/05/1265609805.db2.gz BXUBVBNGPLAAJL-GOSISDBHSA-N 1 3 358.486 0.819 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](OC)C3CCC3)C[C@H]2O)CC1 ZINC001078227055 1255340801 /nfs/dbraw/zinc/34/08/01/1255340801.db2.gz HAJRLGZABWBNHM-QRVBRYPASA-N 1 3 363.502 0.308 20 30 FCEDHO C#CCN1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCC3)C[C@H]2O)CC1 ZINC001078227055 1255340811 /nfs/dbraw/zinc/34/08/11/1255340811.db2.gz HAJRLGZABWBNHM-QRVBRYPASA-N 1 3 363.502 0.308 20 30 FCEDHO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001106798668 1258965461 /nfs/dbraw/zinc/96/54/61/1258965461.db2.gz QADSEYMRGIQVDQ-FGTMMUONSA-N 1 3 362.518 0.540 20 30 FCEDHO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 ZINC001107449829 1259091533 /nfs/dbraw/zinc/09/15/33/1259091533.db2.gz ZBNGGKHDZVLJAS-FRQCXROJSA-N 1 3 361.490 0.471 20 30 FCEDHO C[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 ZINC001107449829 1259091542 /nfs/dbraw/zinc/09/15/42/1259091542.db2.gz ZBNGGKHDZVLJAS-FRQCXROJSA-N 1 3 361.490 0.471 20 30 FCEDHO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@@H+](C)CCC)[n-]1 ZINC001130251201 1259375625 /nfs/dbraw/zinc/37/56/25/1259375625.db2.gz HXBPXENGVDLDMQ-GJZGRUSLSA-N 1 3 362.478 0.248 20 30 FCEDHO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@H+](C)CCC)[n-]1 ZINC001130251201 1259375629 /nfs/dbraw/zinc/37/56/29/1259375629.db2.gz HXBPXENGVDLDMQ-GJZGRUSLSA-N 1 3 362.478 0.248 20 30 FCEDHO C=C[C@@](C)(O)C[NH+]1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001252549696 1259795823 /nfs/dbraw/zinc/79/58/23/1259795823.db2.gz HAXDHZBZIDDJIH-HXUWFJFHSA-N 1 3 365.518 0.959 20 30 FCEDHO C[NH+]1CCC(CN2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)N2CC(CC#N)C2)CC1 ZINC001280125897 1261011325 /nfs/dbraw/zinc/01/13/25/1261011325.db2.gz OPCDMQBGCHQTCW-MANSERQUSA-N 1 3 360.502 0.914 20 30 FCEDHO C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001574485138 1271292866 /nfs/dbraw/zinc/29/28/66/1271292866.db2.gz BEBXNHFVLSERGI-YESZJQIVSA-N 1 3 373.549 0.967 20 30 FCEDHO C#CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001690896805 1294890350 /nfs/dbraw/zinc/89/03/50/1294890350.db2.gz IBUOTLBJGMNPRG-OKZBNKHCSA-N 1 3 362.518 0.827 20 30 FCEDHO C#CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001690896805 1294890356 /nfs/dbraw/zinc/89/03/56/1294890356.db2.gz IBUOTLBJGMNPRG-OKZBNKHCSA-N 1 3 362.518 0.827 20 30 FCEDHO