smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(C)C)ccc1C#N ZINC001164698652 719842297 /nfs/dbraw/zinc/84/22/97/719842297.db2.gz GMRQQCBXWLRTTE-LAUBAEHRSA-N 1 2 386.496 2.309 20 30 GEEDLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000156300345 531727795 /nfs/dbraw/zinc/72/77/95/531727795.db2.gz KLWHBACCHZNNII-BETUJISGSA-N 1 2 385.917 2.378 20 30 GEEDLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000156300345 531727799 /nfs/dbraw/zinc/72/77/99/531727799.db2.gz KLWHBACCHZNNII-BETUJISGSA-N 1 2 385.917 2.378 20 30 GEEDLO COc1ccc(Br)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000060634186 531847519 /nfs/dbraw/zinc/84/75/19/531847519.db2.gz AXAATZFBZWSRGL-UHFFFAOYSA-N 1 2 396.285 2.146 20 30 GEEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120995440 532007125 /nfs/dbraw/zinc/00/71/25/532007125.db2.gz QTGZLAYTYLEQDC-CJNGLKHVSA-N 1 2 379.302 2.108 20 30 GEEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120995576 532007599 /nfs/dbraw/zinc/00/75/99/532007599.db2.gz QTGZLAYTYLEQDC-XJKSGUPXSA-N 1 2 379.302 2.108 20 30 GEEDLO N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1Cl ZINC000173896412 532040268 /nfs/dbraw/zinc/04/02/68/532040268.db2.gz KJHRNDBDZXCIEH-HNNXBMFYSA-N 1 2 383.901 2.087 20 30 GEEDLO N#CCSCC(=O)N1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000175350244 532100544 /nfs/dbraw/zinc/10/05/44/532100544.db2.gz ZZSOYTNUUOZSOS-UHFFFAOYSA-N 1 2 377.901 2.279 20 30 GEEDLO N#CCSCC(=O)N1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000175350244 532100549 /nfs/dbraw/zinc/10/05/49/532100549.db2.gz ZZSOYTNUUOZSOS-UHFFFAOYSA-N 1 2 377.901 2.279 20 30 GEEDLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000183447372 532325176 /nfs/dbraw/zinc/32/51/76/532325176.db2.gz OROLHCFAEVGQPS-STQMWFEESA-N 1 2 385.917 2.378 20 30 GEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cccc(F)c1I ZINC000591241741 532403376 /nfs/dbraw/zinc/40/33/76/532403376.db2.gz AMQNKRKEWWOZTI-SNVBAGLBSA-N 1 2 378.185 2.015 20 30 GEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cccc(F)c1I ZINC000591241741 532403380 /nfs/dbraw/zinc/40/33/80/532403380.db2.gz AMQNKRKEWWOZTI-SNVBAGLBSA-N 1 2 378.185 2.015 20 30 GEEDLO N#CCc1ccc(CS(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000592014269 532433308 /nfs/dbraw/zinc/43/33/08/532433308.db2.gz YGRUMTAUMMUNQP-UHFFFAOYSA-N 1 2 375.519 2.462 20 30 GEEDLO Cn1ccnc1Sc1ncc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1Cl ZINC000593154736 532472955 /nfs/dbraw/zinc/47/29/55/532472955.db2.gz WJUZDVCPROCRJK-MRXNPFEDSA-N 1 2 378.889 2.193 20 30 GEEDLO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1nn(C)cc1Br ZINC000563000810 532492671 /nfs/dbraw/zinc/49/26/71/532492671.db2.gz OGHVTMNYIHGZJA-AWEZNQCLSA-N 1 2 380.286 2.441 20 30 GEEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000282919857 532505838 /nfs/dbraw/zinc/50/58/38/532505838.db2.gz SMYHDYXTLDCHOC-SWLSCSKDSA-N 1 2 381.889 2.089 20 30 GEEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000431587389 532517532 /nfs/dbraw/zinc/51/75/32/532517532.db2.gz VYJPAXPJHLGFEM-UHFFFAOYSA-N 1 2 382.239 2.203 20 30 GEEDLO C[C@]1(C2CC[NH+](Cc3ccc(Br)cc3C#N)CC2)NC(=O)NC1=O ZINC000376559428 532619343 /nfs/dbraw/zinc/61/93/43/532619343.db2.gz VOIZVSDAVPQDLK-QGZVFWFLSA-N 1 2 391.269 2.131 20 30 GEEDLO C#CC[N@@H+](CCN1CCNC1=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000377569169 532662172 /nfs/dbraw/zinc/66/21/72/532662172.db2.gz VBPXHPOTOUEGDJ-OAHLLOKOSA-N 1 2 378.270 2.233 20 30 GEEDLO C#CC[N@H+](CCN1CCNC1=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000377569169 532662173 /nfs/dbraw/zinc/66/21/73/532662173.db2.gz VBPXHPOTOUEGDJ-OAHLLOKOSA-N 1 2 378.270 2.233 20 30 GEEDLO Cc1cccc(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1Br ZINC000599229543 532655162 /nfs/dbraw/zinc/65/51/62/532655162.db2.gz FJJOUJGJADZDQQ-UHFFFAOYSA-N 1 2 394.313 2.375 20 30 GEEDLO N#Cc1c(Cl)nsc1NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1 ZINC000264064848 532657908 /nfs/dbraw/zinc/65/79/08/532657908.db2.gz FGCNBFJRWREWQJ-UHFFFAOYSA-N 1 2 376.873 2.377 20 30 GEEDLO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000568530316 532679523 /nfs/dbraw/zinc/67/95/23/532679523.db2.gz URAXJLKMTWAFGA-RYUDHWBXSA-N 1 2 386.905 2.199 20 30 GEEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000285795319 532709819 /nfs/dbraw/zinc/70/98/19/532709819.db2.gz ZSEHYXYJHKQYGK-AWEZNQCLSA-N 1 2 386.315 2.177 20 30 GEEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000285795319 532709824 /nfs/dbraw/zinc/70/98/24/532709824.db2.gz ZSEHYXYJHKQYGK-AWEZNQCLSA-N 1 2 386.315 2.177 20 30 GEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Br)c2)C1=O ZINC000499957983 532729830 /nfs/dbraw/zinc/72/98/30/532729830.db2.gz VDEJPOOYBLZMPP-SWLSCSKDSA-N 1 2 380.286 2.495 20 30 GEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc(Br)c2)C1=O ZINC000499957983 532729834 /nfs/dbraw/zinc/72/98/34/532729834.db2.gz VDEJPOOYBLZMPP-SWLSCSKDSA-N 1 2 380.286 2.495 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](CO)c2cccc(Cl)c2F)c1 ZINC000499964097 532729867 /nfs/dbraw/zinc/72/98/67/532729867.db2.gz LHKPABSRTMXEIW-INIZCTEOSA-N 1 2 382.844 2.448 20 30 GEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Br)cc2)C1=O ZINC000499998670 532730441 /nfs/dbraw/zinc/73/04/41/532730441.db2.gz TTWRYPJAFHSBQB-SWLSCSKDSA-N 1 2 380.286 2.495 20 30 GEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(Br)cc2)C1=O ZINC000499998670 532730444 /nfs/dbraw/zinc/73/04/44/532730444.db2.gz TTWRYPJAFHSBQB-SWLSCSKDSA-N 1 2 380.286 2.495 20 30 GEEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287050408 532781222 /nfs/dbraw/zinc/78/12/22/532781222.db2.gz ABRNRUSVLKXJSB-LBPRGKRZSA-N 1 2 380.290 2.078 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000554941737 532806914 /nfs/dbraw/zinc/80/69/14/532806914.db2.gz VWVIKWKENHFMFW-UHFFFAOYSA-N 1 2 377.392 2.242 20 30 GEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329587241 532808460 /nfs/dbraw/zinc/80/84/60/532808460.db2.gz RWVDEIYURYLWKD-NEPJUHHUSA-N 1 2 381.523 2.451 20 30 GEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329587241 532808464 /nfs/dbraw/zinc/80/84/64/532808464.db2.gz RWVDEIYURYLWKD-NEPJUHHUSA-N 1 2 381.523 2.451 20 30 GEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@H](C)c2ncc(Br)cn2)CC1 ZINC000329230828 532804604 /nfs/dbraw/zinc/80/46/04/532804604.db2.gz KEUVIYXBCWUDFL-VXGBXAGGSA-N 1 2 382.306 2.425 20 30 GEEDLO C[C@H](c1ccccc1Cl)[NH+]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 ZINC000330377286 532817235 /nfs/dbraw/zinc/81/72/35/532817235.db2.gz PZSDBFARPAELNV-HUUCEWRRSA-N 1 2 384.933 2.355 20 30 GEEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CCN1C ZINC000332355290 532852900 /nfs/dbraw/zinc/85/29/00/532852900.db2.gz UAXPQZPDUAIASV-AWEZNQCLSA-N 1 2 388.269 2.183 20 30 GEEDLO CCN1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H]1c1[nH]cc[nH+]1 ZINC000332367110 532853384 /nfs/dbraw/zinc/85/33/84/532853384.db2.gz VYWLUWJMPLYMOH-AWEZNQCLSA-N 1 2 379.873 2.002 20 30 GEEDLO C[C@H]1Cc2cc(S(=O)(=O)N3CCC(C#N)([NH+](C)C)CC3)cc(Cl)c2O1 ZINC000274678936 532854271 /nfs/dbraw/zinc/85/42/71/532854271.db2.gz JLGNYZFSHNJUBG-LBPRGKRZSA-N 1 2 383.901 2.272 20 30 GEEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000416388857 532874913 /nfs/dbraw/zinc/87/49/13/532874913.db2.gz LSKPMENLACOWCB-UHFFFAOYSA-N 1 2 384.299 2.180 20 30 GEEDLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000292919379 532919984 /nfs/dbraw/zinc/91/99/84/532919984.db2.gz XXSKCDPUMZSXDL-HIFRSBDPSA-N 1 2 383.901 2.347 20 30 GEEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1 ZINC000819698171 606074681 /nfs/dbraw/zinc/07/46/81/606074681.db2.gz TWWVWLWTYKWXFG-UHFFFAOYSA-N 1 2 377.452 2.168 20 30 GEEDLO C#CC[N@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccccc1 ZINC000819698171 606074686 /nfs/dbraw/zinc/07/46/86/606074686.db2.gz TWWVWLWTYKWXFG-UHFFFAOYSA-N 1 2 377.452 2.168 20 30 GEEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c(C#N)c1C ZINC000822558029 606108489 /nfs/dbraw/zinc/10/84/89/606108489.db2.gz LOEDROKZSJFTGB-UHFFFAOYSA-N 1 2 381.465 2.487 20 30 GEEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c(C#N)c1C ZINC000822558029 606108490 /nfs/dbraw/zinc/10/84/90/606108490.db2.gz LOEDROKZSJFTGB-UHFFFAOYSA-N 1 2 381.465 2.487 20 30 GEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821613681 606315872 /nfs/dbraw/zinc/31/58/72/606315872.db2.gz YOYWJGPMSNWGES-HNNXBMFYSA-N 1 2 379.449 2.037 20 30 GEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821613681 606315873 /nfs/dbraw/zinc/31/58/73/606315873.db2.gz YOYWJGPMSNWGES-HNNXBMFYSA-N 1 2 379.449 2.037 20 30 GEEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826384676 608460435 /nfs/dbraw/zinc/46/04/35/608460435.db2.gz FGSCNXZKFAGADF-UHFFFAOYSA-N 1 2 385.431 2.466 20 30 GEEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826384676 608460437 /nfs/dbraw/zinc/46/04/37/608460437.db2.gz FGSCNXZKFAGADF-UHFFFAOYSA-N 1 2 385.431 2.466 20 30 GEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826380100 608652877 /nfs/dbraw/zinc/65/28/77/608652877.db2.gz NDFZLWLXPQKVOA-GOSISDBHSA-N 1 2 377.427 2.388 20 30 GEEDLO Cc1nn(-c2cc[nH+]cc2)cc1CN=Nc1oc(CC(C)C)nc1-c1nn[nH]n1 ZINC000826332733 609468100 /nfs/dbraw/zinc/46/81/00/609468100.db2.gz FQPNOTFLIAUSPB-UHFFFAOYSA-N 1 2 392.427 2.388 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@](O)(CO)C2)cc1OC ZINC000459646957 650429745 /nfs/dbraw/zinc/42/97/45/650429745.db2.gz JAKLZQHLZADJRQ-QGZVFWFLSA-N 1 2 386.286 2.342 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@](O)(CO)C2)cc1OC ZINC000459646957 650429746 /nfs/dbraw/zinc/42/97/46/650429746.db2.gz JAKLZQHLZADJRQ-QGZVFWFLSA-N 1 2 386.286 2.342 20 30 GEEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(Br)c(C#N)cc1F ZINC000528126369 650685699 /nfs/dbraw/zinc/68/56/99/650685699.db2.gz AARPRWDJRGFGRN-KRWDZBQOSA-N 1 2 398.276 2.488 20 30 GEEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(Br)c(C#N)cc1F ZINC000528126369 650685703 /nfs/dbraw/zinc/68/57/03/650685703.db2.gz AARPRWDJRGFGRN-KRWDZBQOSA-N 1 2 398.276 2.488 20 30 GEEDLO N#CCCN(CCOc1ccccc1Br)CC[NH+]1CCOCC1 ZINC000093792586 643080120 /nfs/dbraw/zinc/08/01/20/643080120.db2.gz IYVFCDVXPYWDPP-UHFFFAOYSA-N 1 2 382.302 2.376 20 30 GEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCS(C)(=O)=O)sc2C1 ZINC000102771876 643137884 /nfs/dbraw/zinc/13/78/84/643137884.db2.gz MRABZCQBJQSZQL-GFCCVEGCSA-N 1 2 383.539 2.050 20 30 GEEDLO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCS(C)(=O)=O)sc2C1 ZINC000102771876 643137887 /nfs/dbraw/zinc/13/78/87/643137887.db2.gz MRABZCQBJQSZQL-GFCCVEGCSA-N 1 2 383.539 2.050 20 30 GEEDLO N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000126043467 643719547 /nfs/dbraw/zinc/71/95/47/643719547.db2.gz MCPWWIDXJOQSPC-MRXNPFEDSA-N 1 2 388.269 2.055 20 30 GEEDLO C#CCCC[NH+]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000271053772 646168881 /nfs/dbraw/zinc/16/88/81/646168881.db2.gz QNCWGHUZDWZGPK-UHFFFAOYSA-N 1 2 399.354 2.254 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000278974853 646568161 /nfs/dbraw/zinc/56/81/61/646568161.db2.gz YHKZPMUOAFCVLA-HNNXBMFYSA-N 1 2 398.326 2.321 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000278974853 646568164 /nfs/dbraw/zinc/56/81/64/646568164.db2.gz YHKZPMUOAFCVLA-HNNXBMFYSA-N 1 2 398.326 2.321 20 30 GEEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCCS(=O)(=O)CC3)n2)C1 ZINC000329429053 647320737 /nfs/dbraw/zinc/32/07/37/647320737.db2.gz JVGOSBVFMZOZDP-CYBMUJFWSA-N 1 2 386.543 2.041 20 30 GEEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCCS(=O)(=O)CC3)n2)C1 ZINC000329429053 647320742 /nfs/dbraw/zinc/32/07/42/647320742.db2.gz JVGOSBVFMZOZDP-CYBMUJFWSA-N 1 2 386.543 2.041 20 30 GEEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416498388 648150105 /nfs/dbraw/zinc/15/01/05/648150105.db2.gz VHKGMRDRKSMJGR-CQSZACIVSA-N 1 2 386.315 2.426 20 30 GEEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416498388 648150110 /nfs/dbraw/zinc/15/01/10/648150110.db2.gz VHKGMRDRKSMJGR-CQSZACIVSA-N 1 2 386.315 2.426 20 30 GEEDLO C=CCn1cc(C[NH2+][C@@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)nn1 ZINC000424290926 648622601 /nfs/dbraw/zinc/62/26/01/648622601.db2.gz CPUAHMQBKUXELS-HNNXBMFYSA-N 1 2 383.905 2.267 20 30 GEEDLO N#CCC[C@H](C#N)C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000550999784 651117183 /nfs/dbraw/zinc/11/71/83/651117183.db2.gz NGVLFCBNJCDRAV-LLVKDONJSA-N 1 2 382.205 2.263 20 30 GEEDLO CC#CC[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000555759652 651229390 /nfs/dbraw/zinc/22/93/90/651229390.db2.gz QOUWNHMYXLTZOY-UHFFFAOYSA-N 1 2 380.286 2.110 20 30 GEEDLO CC#CC[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000555759652 651229393 /nfs/dbraw/zinc/22/93/93/651229393.db2.gz QOUWNHMYXLTZOY-UHFFFAOYSA-N 1 2 380.286 2.110 20 30 GEEDLO N#Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)ncc1Br ZINC000603278848 651475871 /nfs/dbraw/zinc/47/58/71/651475871.db2.gz UBIWFLHPPYURSM-OAHLLOKOSA-N 1 2 383.315 2.336 20 30 GEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000562048551 651487168 /nfs/dbraw/zinc/48/71/68/651487168.db2.gz HSGQTENRTLEQOK-IRXDYDNUSA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000562048551 651487171 /nfs/dbraw/zinc/48/71/71/651487171.db2.gz HSGQTENRTLEQOK-IRXDYDNUSA-N 1 2 376.869 2.330 20 30 GEEDLO CC#CC[C@@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000649185746 651819991 /nfs/dbraw/zinc/81/99/91/651819991.db2.gz KLEVBXPTSDEBAL-DLBZAZTESA-N 1 2 379.298 2.477 20 30 GEEDLO C#CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000746258917 652098708 /nfs/dbraw/zinc/09/87/08/652098708.db2.gz GBCFLINZRRURHI-DOTOQJQBSA-N 1 2 393.281 2.065 20 30 GEEDLO C#CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000746258917 652098717 /nfs/dbraw/zinc/09/87/17/652098717.db2.gz GBCFLINZRRURHI-DOTOQJQBSA-N 1 2 393.281 2.065 20 30 GEEDLO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Br)c(F)cc1O ZINC000756704679 652504145 /nfs/dbraw/zinc/50/41/45/652504145.db2.gz KOKVTADZVWERAW-HOBGCTPMSA-N 1 2 398.232 2.471 20 30 GEEDLO N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000593492331 652622921 /nfs/dbraw/zinc/62/29/21/652622921.db2.gz AXENLYQEOCWEAC-QGZVFWFLSA-N 1 2 392.297 2.186 20 30 GEEDLO C[N@H+](CCC#N)C[C@@H](O)CNCC(F)(F)c1ccc(Br)cc1 ZINC000598730423 652832069 /nfs/dbraw/zinc/83/20/69/652832069.db2.gz VHHDDAIIYKYONO-AWEZNQCLSA-N 1 2 376.245 2.337 20 30 GEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNCC(F)(F)c1ccc(Br)cc1 ZINC000598730423 652832075 /nfs/dbraw/zinc/83/20/75/652832075.db2.gz VHHDDAIIYKYONO-AWEZNQCLSA-N 1 2 376.245 2.337 20 30 GEEDLO C[C@@H]1C[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](C)N1CC#N ZINC000602854375 653209815 /nfs/dbraw/zinc/20/98/15/653209815.db2.gz OJZPTOQPHFJQRL-CPUCHLNUSA-N 1 2 391.313 2.473 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602884201 653212230 /nfs/dbraw/zinc/21/22/30/653212230.db2.gz WDMSZFXYOZLEBB-WMLDXEAASA-N 1 2 395.301 2.352 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602884201 653212232 /nfs/dbraw/zinc/21/22/32/653212232.db2.gz WDMSZFXYOZLEBB-WMLDXEAASA-N 1 2 395.301 2.352 20 30 GEEDLO C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000775097466 653287544 /nfs/dbraw/zinc/28/75/44/653287544.db2.gz QWZNTUCUGSQOCX-CYBMUJFWSA-N 1 2 388.693 2.084 20 30 GEEDLO C#C[C@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000836221776 653338938 /nfs/dbraw/zinc/33/89/38/653338938.db2.gz OQTBEJPLVQRPKY-BBRMVZONSA-N 1 2 380.286 2.143 20 30 GEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2cccc(Br)c2C#N)CC1 ZINC000811804086 653406428 /nfs/dbraw/zinc/40/64/28/653406428.db2.gz ADTMCRXKELCHJP-UHFFFAOYSA-N 1 2 386.315 2.242 20 30 GEEDLO CC(C)NS(=O)(=O)c1ccc(NNC2=C[C@H](C(F)(F)F)OCC2)[nH+]c1 ZINC000814802710 653639718 /nfs/dbraw/zinc/63/97/18/653639718.db2.gz SGILKSWMNDGQJD-GFCCVEGCSA-N 1 2 380.392 2.278 20 30 GEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815011188 653643233 /nfs/dbraw/zinc/64/32/33/653643233.db2.gz DCILKLVYCGMMIK-UHFFFAOYSA-N 1 2 377.825 2.316 20 30 GEEDLO C#C[C@@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000820616292 653778651 /nfs/dbraw/zinc/77/86/51/653778651.db2.gz IJQDBRWWBHMZPH-MRXNPFEDSA-N 1 2 380.286 2.097 20 30 GEEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789776179 653781164 /nfs/dbraw/zinc/78/11/64/653781164.db2.gz YIYYGMSWCTYAFB-OAHLLOKOSA-N 1 2 382.913 2.352 20 30 GEEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789776179 653781166 /nfs/dbraw/zinc/78/11/66/653781166.db2.gz YIYYGMSWCTYAFB-OAHLLOKOSA-N 1 2 382.913 2.352 20 30 GEEDLO C[NH+](C)CCNC(=O)CC1SC(=Nc2ccsc2)N(C2CCC2)C1=O ZINC000790737597 653796452 /nfs/dbraw/zinc/79/64/52/653796452.db2.gz NODHHJVMLJOGAM-CQSZACIVSA-N 1 2 380.539 2.300 20 30 GEEDLO C[NH+](C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(C2CCC2)C1=O ZINC000790737597 653796455 /nfs/dbraw/zinc/79/64/55/653796455.db2.gz NODHHJVMLJOGAM-CQSZACIVSA-N 1 2 380.539 2.300 20 30 GEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883109519 653828057 /nfs/dbraw/zinc/82/80/57/653828057.db2.gz UAUHDPYMWRHWFC-NEPJUHHUSA-N 1 2 394.273 2.043 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000884121223 653864901 /nfs/dbraw/zinc/86/49/01/653864901.db2.gz JQZJPRFSORRYOK-GJZGRUSLSA-N 1 2 387.263 2.340 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1cc(F)c(Br)cc1F ZINC000884431357 653876587 /nfs/dbraw/zinc/87/65/87/653876587.db2.gz RPZUVHLRPDFSLL-OQPBUACISA-N 1 2 391.212 2.351 20 30 GEEDLO COC(=O)C1(C#N)CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000824867016 653910883 /nfs/dbraw/zinc/91/08/83/653910883.db2.gz KRRBWVMXMJACFW-UHFFFAOYSA-N 1 2 383.242 2.442 20 30 GEEDLO C[NH+](C)CCCNC(=O)CC1SC(=Nc2ccsc2)N(CCF)C1=O ZINC000797818239 654042959 /nfs/dbraw/zinc/04/29/59/654042959.db2.gz SRYYUZUOJWJGDA-CYBMUJFWSA-N 1 2 386.518 2.107 20 30 GEEDLO C[NH+](C)CCCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCF)C1=O ZINC000797818239 654042962 /nfs/dbraw/zinc/04/29/62/654042962.db2.gz SRYYUZUOJWJGDA-CYBMUJFWSA-N 1 2 386.518 2.107 20 30 GEEDLO C/C(=C/C(=O)N[C@@H](C#N)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000900463858 654065509 /nfs/dbraw/zinc/06/55/09/654065509.db2.gz HKNJFJRCJPTEBQ-OVHOFWQVSA-N 1 2 378.270 2.408 20 30 GEEDLO C[N@@H+]1CC[C@H]1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccsc1 ZINC000901755379 654147288 /nfs/dbraw/zinc/14/72/88/654147288.db2.gz RVPQDBABPPLTCB-KBPBESRZSA-N 1 2 378.523 2.052 20 30 GEEDLO C[N@H+]1CC[C@H]1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccsc1 ZINC000901755379 654147293 /nfs/dbraw/zinc/14/72/93/654147293.db2.gz RVPQDBABPPLTCB-KBPBESRZSA-N 1 2 378.523 2.052 20 30 GEEDLO C#CCO[C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000832333267 654259658 /nfs/dbraw/zinc/25/96/58/654259658.db2.gz VIJLQDZTTOPACM-CYBMUJFWSA-N 1 2 380.242 2.306 20 30 GEEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H](O)c1ccccc1Br ZINC000832673669 654286363 /nfs/dbraw/zinc/28/63/63/654286363.db2.gz WDLMMIMHOVHKRM-NVXWUHKLSA-N 1 2 380.286 2.223 20 30 GEEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H](O)c1ccccc1Br ZINC000832673669 654286365 /nfs/dbraw/zinc/28/63/65/654286365.db2.gz WDLMMIMHOVHKRM-NVXWUHKLSA-N 1 2 380.286 2.223 20 30 GEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000907078977 654508206 /nfs/dbraw/zinc/50/82/06/654508206.db2.gz PYJKVSKMXWJJIJ-RDJZCZTQSA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000907078977 654508208 /nfs/dbraw/zinc/50/82/08/654508208.db2.gz PYJKVSKMXWJJIJ-RDJZCZTQSA-N 1 2 376.869 2.330 20 30 GEEDLO CC(C)(CNS(=O)(=O)c1ccc(Br)c(C#N)c1)n1cc[nH+]c1 ZINC000907313806 654530706 /nfs/dbraw/zinc/53/07/06/654530706.db2.gz LUEUZZTUNFMHJQ-UHFFFAOYSA-N 1 2 383.271 2.231 20 30 GEEDLO C#CC[NH+]1CCC(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000928653379 654654463 /nfs/dbraw/zinc/65/44/63/654654463.db2.gz KPGOOEFFLBEQEA-UHFFFAOYSA-N 1 2 382.913 2.108 20 30 GEEDLO NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000931228824 654734857 /nfs/dbraw/zinc/73/48/57/654734857.db2.gz GGPLSZFFRRVQNA-AWEZNQCLSA-N 1 2 376.400 2.080 20 30 GEEDLO NS(=O)(=O)C[C@@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000931228824 654734859 /nfs/dbraw/zinc/73/48/59/654734859.db2.gz GGPLSZFFRRVQNA-AWEZNQCLSA-N 1 2 376.400 2.080 20 30 GEEDLO COc1cc(C#N)ccc1C[N@@H+]1CCn2ncc(I)c2C1 ZINC000933112642 654802380 /nfs/dbraw/zinc/80/23/80/654802380.db2.gz YURYFEYEWQUENC-UHFFFAOYSA-N 1 2 394.216 2.384 20 30 GEEDLO COc1cc(C#N)ccc1C[N@H+]1CCn2ncc(I)c2C1 ZINC000933112642 654802384 /nfs/dbraw/zinc/80/23/84/654802384.db2.gz YURYFEYEWQUENC-UHFFFAOYSA-N 1 2 394.216 2.384 20 30 GEEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(CC#N)cc1Cl ZINC001164708040 719875086 /nfs/dbraw/zinc/87/50/86/719875086.db2.gz XHIWHWPEKHVISL-KXBFYZLASA-N 1 2 392.887 2.034 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(c1C#N)CCCC2 ZINC001164703742 719879650 /nfs/dbraw/zinc/87/96/50/719879650.db2.gz UDUTXUCALNDLAO-VGOFRKELSA-N 1 2 398.507 2.065 20 30 GEEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)c(C#N)cc1C#N)C2 ZINC001165011268 721703610 /nfs/dbraw/zinc/70/36/10/721703610.db2.gz PYQHBHURSZAGQN-UHFFFAOYSA-N 1 2 384.875 2.320 20 30 GEEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)c(C#N)cc1C#N)C2 ZINC001165011268 721703615 /nfs/dbraw/zinc/70/36/15/721703615.db2.gz PYQHBHURSZAGQN-UHFFFAOYSA-N 1 2 384.875 2.320 20 30 GEEDLO N#Cc1c(Cl)ccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910180 721775302 /nfs/dbraw/zinc/77/53/02/721775302.db2.gz AMKQCBQJDFKCAH-HXUWFJFHSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1c(Cl)ccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910180 721775307 /nfs/dbraw/zinc/77/53/07/721775307.db2.gz AMKQCBQJDFKCAH-HXUWFJFHSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1cc(Cl)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912002 721778891 /nfs/dbraw/zinc/77/88/91/721778891.db2.gz JBSVVJSBJJLNKN-HXUWFJFHSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1cc(Cl)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912002 721778894 /nfs/dbraw/zinc/77/88/94/721778894.db2.gz JBSVVJSBJJLNKN-HXUWFJFHSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(F)c1 ZINC001164947747 721976800 /nfs/dbraw/zinc/97/68/00/721976800.db2.gz SGKQKUCFUFIRQN-UHFFFAOYSA-N 1 2 379.439 2.063 20 30 GEEDLO N#Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(F)c1 ZINC001164947747 721976802 /nfs/dbraw/zinc/97/68/02/721976802.db2.gz SGKQKUCFUFIRQN-UHFFFAOYSA-N 1 2 379.439 2.063 20 30 GEEDLO C=C(C)CNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000154402556 531626067 /nfs/dbraw/zinc/62/60/67/531626067.db2.gz YCGNXDZOEIPGLW-UHFFFAOYSA-N 1 2 384.293 2.398 20 30 GEEDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H](C)O1 ZINC000156300594 531726685 /nfs/dbraw/zinc/72/66/85/531726685.db2.gz KLWHBACCHZNNII-CHWSQXEVSA-N 1 2 385.917 2.378 20 30 GEEDLO C=CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000067400029 531884554 /nfs/dbraw/zinc/88/45/54/531884554.db2.gz VCWZTCFKGCTFKJ-AWEZNQCLSA-N 1 2 386.901 2.352 20 30 GEEDLO C=CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000067400029 531884563 /nfs/dbraw/zinc/88/45/63/531884563.db2.gz VCWZTCFKGCTFKJ-AWEZNQCLSA-N 1 2 386.901 2.352 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000171748569 531914527 /nfs/dbraw/zinc/91/45/27/531914527.db2.gz XXMBZUWMFBPONE-OLZOCXBDSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000171748569 531914536 /nfs/dbraw/zinc/91/45/36/531914536.db2.gz XXMBZUWMFBPONE-OLZOCXBDSA-N 1 2 394.320 2.408 20 30 GEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120981236 532005499 /nfs/dbraw/zinc/00/54/99/532005499.db2.gz SMJOPPWXLIHIAI-GUYCJALGSA-N 1 2 391.313 2.298 20 30 GEEDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C2 ZINC000121306985 532021361 /nfs/dbraw/zinc/02/13/61/532021361.db2.gz RKISABWTDXFOKF-CYBMUJFWSA-N 1 2 395.282 2.119 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cc(F)ccc1Br ZINC000125487317 532135861 /nfs/dbraw/zinc/13/58/61/532135861.db2.gz RCQOZVVHGQMUOM-UHFFFAOYSA-N 1 2 398.276 2.205 20 30 GEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134464740 532255934 /nfs/dbraw/zinc/25/59/34/532255934.db2.gz WYEHSDCUWCBQNB-SNVBAGLBSA-N 1 2 376.404 2.353 20 30 GEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134464740 532255936 /nfs/dbraw/zinc/25/59/36/532255936.db2.gz WYEHSDCUWCBQNB-SNVBAGLBSA-N 1 2 376.404 2.353 20 30 GEEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000181439469 532298716 /nfs/dbraw/zinc/29/87/16/532298716.db2.gz YQQIZOBFVBSCPI-QGZVFWFLSA-N 1 2 391.313 2.254 20 30 GEEDLO N#Cc1c(Br)cccc1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000557840332 532376019 /nfs/dbraw/zinc/37/60/19/532376019.db2.gz YFEWXWUVOIEAOV-UHFFFAOYSA-N 1 2 383.271 2.276 20 30 GEEDLO N#Cc1ccc(Br)c(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000191771953 532366674 /nfs/dbraw/zinc/36/66/74/532366674.db2.gz AURAYEHZYSONFZ-UHFFFAOYSA-N 1 2 391.313 2.061 20 30 GEEDLO Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c(C#N)c[nH+]1 ZINC000425201118 532371384 /nfs/dbraw/zinc/37/13/84/532371384.db2.gz MNZSRGKJOIZDBN-UHFFFAOYSA-N 1 2 382.898 2.488 20 30 GEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)c(F)cc1I ZINC000517571771 532420532 /nfs/dbraw/zinc/42/05/32/532420532.db2.gz BOHODRMSPPAMMO-ZDUSSCGKSA-N 1 2 393.175 2.143 20 30 GEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCc3cc(Br)ccc3NC2=O)C1=O ZINC000625388634 532422192 /nfs/dbraw/zinc/42/21/92/532422192.db2.gz VGOXOSJYCGHXFK-JKSUJKDBSA-N 1 2 392.297 2.421 20 30 GEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCc3cc(Br)ccc3NC2=O)C1=O ZINC000625388634 532422198 /nfs/dbraw/zinc/42/21/98/532422198.db2.gz VGOXOSJYCGHXFK-JKSUJKDBSA-N 1 2 392.297 2.421 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000295356392 532437020 /nfs/dbraw/zinc/43/70/20/532437020.db2.gz OPFJNJBGIHXVQC-DOTOQJQBSA-N 1 2 382.302 2.469 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000295356392 532437025 /nfs/dbraw/zinc/43/70/25/532437025.db2.gz OPFJNJBGIHXVQC-DOTOQJQBSA-N 1 2 382.302 2.469 20 30 GEEDLO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1nn(C)cc1Br ZINC000563000811 532492047 /nfs/dbraw/zinc/49/20/47/532492047.db2.gz OGHVTMNYIHGZJA-CQSZACIVSA-N 1 2 380.286 2.441 20 30 GEEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000282919850 532505918 /nfs/dbraw/zinc/50/59/18/532505918.db2.gz SMYHDYXTLDCHOC-IUODEOHRSA-N 1 2 381.889 2.089 20 30 GEEDLO N#CC1(NC(=O)C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)CCC1 ZINC000525886167 532536289 /nfs/dbraw/zinc/53/62/89/532536289.db2.gz SAJMXUHWDDJFCF-UHFFFAOYSA-N 1 2 391.313 2.129 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245871267 532524858 /nfs/dbraw/zinc/52/48/58/532524858.db2.gz MBYGCCHMVYXTCY-DLBZAZTESA-N 1 2 380.535 2.318 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245871267 532524867 /nfs/dbraw/zinc/52/48/67/532524867.db2.gz MBYGCCHMVYXTCY-DLBZAZTESA-N 1 2 380.535 2.318 20 30 GEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000594774499 532526841 /nfs/dbraw/zinc/52/68/41/532526841.db2.gz FQKNEWOSXGIIFJ-SWLSCSKDSA-N 1 2 379.507 2.079 20 30 GEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000594774499 532526845 /nfs/dbraw/zinc/52/68/45/532526845.db2.gz FQKNEWOSXGIIFJ-SWLSCSKDSA-N 1 2 379.507 2.079 20 30 GEEDLO NC(COc1ccc(Cl)cc1Cl)=[NH+]OC[C@@H]1CCCS(=O)(=O)C1 ZINC000284450950 532593193 /nfs/dbraw/zinc/59/31/93/532593193.db2.gz PXUMALRFMSEKFK-JTQLQIEISA-N 1 2 381.281 2.486 20 30 GEEDLO C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[N@@H+]1CCc2sccc2C1 ZINC000298298260 532640001 /nfs/dbraw/zinc/64/00/01/532640001.db2.gz USHLGPSQFAGACK-AWEZNQCLSA-N 1 2 375.519 2.486 20 30 GEEDLO C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC000298298260 532640008 /nfs/dbraw/zinc/64/00/08/532640008.db2.gz USHLGPSQFAGACK-AWEZNQCLSA-N 1 2 375.519 2.486 20 30 GEEDLO N#Cc1ccc(CS(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000299152023 532698763 /nfs/dbraw/zinc/69/87/63/532698763.db2.gz PTOPILXTHMNZLL-UHFFFAOYSA-N 1 2 375.519 2.310 20 30 GEEDLO CN1CCC[C@@H]([NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O ZINC000541854024 532760978 /nfs/dbraw/zinc/76/09/78/532760978.db2.gz ONHRYTXVJGRNHV-IAGOWNOFSA-N 1 2 391.313 2.252 20 30 GEEDLO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451037609 532761059 /nfs/dbraw/zinc/76/10/59/532761059.db2.gz PJJIHUXUYFSFQV-HNNXBMFYSA-N 1 2 385.917 2.041 20 30 GEEDLO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451037609 532761066 /nfs/dbraw/zinc/76/10/66/532761066.db2.gz PJJIHUXUYFSFQV-HNNXBMFYSA-N 1 2 385.917 2.041 20 30 GEEDLO N#Cc1ccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1Br ZINC000554567228 532805027 /nfs/dbraw/zinc/80/50/27/532805027.db2.gz SZJYRRLJCNDOKE-UHFFFAOYSA-N 1 2 390.241 2.052 20 30 GEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329587242 532808696 /nfs/dbraw/zinc/80/86/96/532808696.db2.gz RWVDEIYURYLWKD-NWDGAFQWSA-N 1 2 381.523 2.451 20 30 GEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329587242 532808697 /nfs/dbraw/zinc/80/86/97/532808697.db2.gz RWVDEIYURYLWKD-NWDGAFQWSA-N 1 2 381.523 2.451 20 30 GEEDLO CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000330507422 532820083 /nfs/dbraw/zinc/82/00/83/532820083.db2.gz MWXKFZYKXKTEGY-CYBMUJFWSA-N 1 2 397.317 2.398 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000330506776 532820327 /nfs/dbraw/zinc/82/03/27/532820327.db2.gz MDFWQXMKBZTOPH-KRWDZBQOSA-N 1 2 394.317 2.021 20 30 GEEDLO C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000072272821 570970691 /nfs/dbraw/zinc/97/06/91/570970691.db2.gz BUIKHTNZTHPLSX-HXUWFJFHSA-N 1 2 387.443 2.429 20 30 GEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](c2ccccn2)CC1=O ZINC000735426254 598828163 /nfs/dbraw/zinc/82/81/63/598828163.db2.gz NBXJVPHBTVYVJA-SFHVURJKSA-N 1 2 389.463 2.223 20 30 GEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](c2ccccn2)CC1=O ZINC000735426254 598828164 /nfs/dbraw/zinc/82/81/64/598828164.db2.gz NBXJVPHBTVYVJA-SFHVURJKSA-N 1 2 389.463 2.223 20 30 GEEDLO CC(C)(C#N)CC[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000735572222 599122846 /nfs/dbraw/zinc/12/28/46/599122846.db2.gz UIYWNRXDLNUMFR-UHFFFAOYSA-N 1 2 382.428 2.177 20 30 GEEDLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN(c2ccc(C#N)cn2)CC1 ZINC000822336927 599491030 /nfs/dbraw/zinc/49/10/30/599491030.db2.gz UODIGZHRPQYTKR-UHFFFAOYSA-N 1 2 397.446 2.317 20 30 GEEDLO Cc1cc(C#N)ccc1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826256902 607650700 /nfs/dbraw/zinc/65/07/00/607650700.db2.gz FUWXZDSWZQAOQE-UHFFFAOYSA-N 1 2 387.447 2.005 20 30 GEEDLO COc1ccc(C(N)=[NH+]OCc2ccc(-c3nn[nH]n3)cc2OC(F)F)cc1 ZINC000821778398 606594683 /nfs/dbraw/zinc/59/46/83/606594683.db2.gz ZFEXUTFQRZUXGN-UHFFFAOYSA-N 1 2 390.350 2.314 20 30 GEEDLO N#Cc1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826387346 608464903 /nfs/dbraw/zinc/46/49/03/608464903.db2.gz QQXMMYUHAZZFQM-UHFFFAOYSA-N 1 2 385.431 2.466 20 30 GEEDLO N#Cc1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826387346 608464904 /nfs/dbraw/zinc/46/49/04/608464904.db2.gz QQXMMYUHAZZFQM-UHFFFAOYSA-N 1 2 385.431 2.466 20 30 GEEDLO N#Cc1ccc(CNC(=O)C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826385093 608466850 /nfs/dbraw/zinc/46/68/50/608466850.db2.gz WXBNZJXMPSMVGO-UHFFFAOYSA-N 1 2 399.458 2.144 20 30 GEEDLO N#Cc1ccc(CNC(=O)C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826385093 608466851 /nfs/dbraw/zinc/46/68/51/608466851.db2.gz WXBNZJXMPSMVGO-UHFFFAOYSA-N 1 2 399.458 2.144 20 30 GEEDLO N#CCC1(CS(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000451466122 650117997 /nfs/dbraw/zinc/11/79/97/650117997.db2.gz OGXPZQKIMRRDQA-QGZVFWFLSA-N 1 2 379.551 2.217 20 30 GEEDLO N#CCC1(CS(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000451466122 650118000 /nfs/dbraw/zinc/11/80/00/650118000.db2.gz OGXPZQKIMRRDQA-QGZVFWFLSA-N 1 2 379.551 2.217 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1OCC ZINC000459709105 650430561 /nfs/dbraw/zinc/43/05/61/650430561.db2.gz OXWMCUVZOQPNGQ-UKRRQHHQSA-N 1 2 386.286 2.198 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)cc1OCC ZINC000459709105 650430566 /nfs/dbraw/zinc/43/05/66/650430566.db2.gz OXWMCUVZOQPNGQ-UKRRQHHQSA-N 1 2 386.286 2.198 20 30 GEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)c1ccco1 ZINC000514802830 650579725 /nfs/dbraw/zinc/57/97/25/650579725.db2.gz VDYCEIXJSYOVNW-CYBMUJFWSA-N 1 2 398.282 2.495 20 30 GEEDLO C#Cc1cccc(NC(=O)C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000105401524 643205448 /nfs/dbraw/zinc/20/54/48/643205448.db2.gz YCRVXOULLTYKTN-KRWDZBQOSA-N 1 2 386.249 2.185 20 30 GEEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000173855243 644362159 /nfs/dbraw/zinc/36/21/59/644362159.db2.gz UMUWWQNKELDRLO-GJZGRUSLSA-N 1 2 378.314 2.266 20 30 GEEDLO C=CC[C@@H](CO)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000545448299 650974988 /nfs/dbraw/zinc/97/49/88/650974988.db2.gz OHRUNEPRLGJAEK-CYBMUJFWSA-N 1 2 395.301 2.432 20 30 GEEDLO COc1ccc(CN(CCC#N)CC[NH+]2CCOCC2)c(Br)c1O ZINC000546269385 650997565 /nfs/dbraw/zinc/99/75/65/650997565.db2.gz WOLPXYONCGUMNP-UHFFFAOYSA-N 1 2 398.301 2.211 20 30 GEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000287890058 646900539 /nfs/dbraw/zinc/90/05/39/646900539.db2.gz RJRUHXBKZWDXAR-UHFFFAOYSA-N 1 2 383.271 2.228 20 30 GEEDLO C[C@@](O)(CNC(=O)c1c(F)ccc(Br)c1F)C[NH+]1CCOCC1 ZINC000331154155 647368592 /nfs/dbraw/zinc/36/85/92/647368592.db2.gz PBFWKCFYCIFJJH-OAHLLOKOSA-N 1 2 393.228 2.115 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c(F)c1 ZINC000610083135 651644982 /nfs/dbraw/zinc/64/49/82/651644982.db2.gz IKXJBPIYURNBRC-UHFFFAOYSA-N 1 2 379.482 2.308 20 30 GEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000568901451 651688094 /nfs/dbraw/zinc/68/80/94/651688094.db2.gz XFYKFFMGNKOJTI-CQSZACIVSA-N 1 2 383.901 2.087 20 30 GEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000571251621 651820699 /nfs/dbraw/zinc/82/06/99/651820699.db2.gz NMUPJJGBGCWDTO-AWEZNQCLSA-N 1 2 375.416 2.479 20 30 GEEDLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000571251621 651820700 /nfs/dbraw/zinc/82/07/00/651820700.db2.gz NMUPJJGBGCWDTO-AWEZNQCLSA-N 1 2 375.416 2.479 20 30 GEEDLO N#Cc1ccc(Br)c(C[NH+]2CCC([C@@H](O)C(=O)NC3CC3)CC2)c1 ZINC000575111719 652062835 /nfs/dbraw/zinc/06/28/35/652062835.db2.gz KJPPVGJURNUOHX-QGZVFWFLSA-N 1 2 392.297 2.172 20 30 GEEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000578407601 652269326 /nfs/dbraw/zinc/26/93/26/652269326.db2.gz OCQRJBHWPSRJJQ-CQSZACIVSA-N 1 2 375.416 2.433 20 30 GEEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000578407601 652269329 /nfs/dbraw/zinc/26/93/29/652269329.db2.gz OCQRJBHWPSRJJQ-CQSZACIVSA-N 1 2 375.416 2.433 20 30 GEEDLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000580570651 652384278 /nfs/dbraw/zinc/38/42/78/652384278.db2.gz GTCGOCLALWKSPF-ZDUSSCGKSA-N 1 2 383.901 2.085 20 30 GEEDLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000580570651 652384282 /nfs/dbraw/zinc/38/42/82/652384282.db2.gz GTCGOCLALWKSPF-ZDUSSCGKSA-N 1 2 383.901 2.085 20 30 GEEDLO C[N@@H+]1CCCC(N=Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1 ZINC000758117096 652530893 /nfs/dbraw/zinc/53/08/93/652530893.db2.gz JHMJECYXSPMUOO-UHFFFAOYSA-N 1 2 380.499 2.223 20 30 GEEDLO C[N@H+]1CCCC(N=Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1 ZINC000758117096 652530896 /nfs/dbraw/zinc/53/08/96/652530896.db2.gz JHMJECYXSPMUOO-UHFFFAOYSA-N 1 2 380.499 2.223 20 30 GEEDLO N#Cc1ccc(OCC(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1Br ZINC000590758978 652580644 /nfs/dbraw/zinc/58/06/44/652580644.db2.gz WVWUDXDEBRECMO-GFCCVEGCSA-N 1 2 375.226 2.027 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000590758963 652580825 /nfs/dbraw/zinc/58/08/25/652580825.db2.gz JBTWDNGMSVNCJD-NSHDSACASA-N 1 2 375.226 2.027 20 30 GEEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccnc(Br)c1 ZINC000769817926 653179429 /nfs/dbraw/zinc/17/94/29/653179429.db2.gz ZLRJLPZRUAPJBV-UHFFFAOYSA-N 1 2 379.262 2.169 20 30 GEEDLO COC(=O)CCCc1nc(CO[NH+]=C(N)c2ccc(Br)cc2)no1 ZINC000782950160 653672574 /nfs/dbraw/zinc/67/25/74/653672574.db2.gz SHFBECSLCMEYQC-UHFFFAOYSA-N 1 2 397.229 2.165 20 30 GEEDLO N#Cc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)cc1 ZINC000782949131 653672678 /nfs/dbraw/zinc/67/26/78/653672678.db2.gz BQEBLVAVAREZHD-UHFFFAOYSA-N 1 2 387.237 2.274 20 30 GEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1 ZINC000820612654 653778460 /nfs/dbraw/zinc/77/84/60/653778460.db2.gz ZJWHVYRDXWXXLU-IXDOHACOSA-N 1 2 392.297 2.286 20 30 GEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1 ZINC000820612654 653778462 /nfs/dbraw/zinc/77/84/62/653778462.db2.gz ZJWHVYRDXWXXLU-IXDOHACOSA-N 1 2 392.297 2.286 20 30 GEEDLO Cc1cc(Br)cn2cc(CCNS(=O)(=O)CC(C)(C)C#N)[nH+]c12 ZINC000790048308 653786052 /nfs/dbraw/zinc/78/60/52/653786052.db2.gz NQSRZSHQIXZQQX-UHFFFAOYSA-N 1 2 399.314 2.417 20 30 GEEDLO CON=C(C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1csc(N)n1 ZINC000821975878 653814138 /nfs/dbraw/zinc/81/41/38/653814138.db2.gz JYVYXHYWFDSBPN-NSHDSACASA-N 1 2 379.511 2.043 20 30 GEEDLO CON=C(C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1csc(N)n1 ZINC000821975876 653814232 /nfs/dbraw/zinc/81/42/32/653814232.db2.gz JYVYXHYWFDSBPN-LLVKDONJSA-N 1 2 379.511 2.043 20 30 GEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883109520 653827992 /nfs/dbraw/zinc/82/79/92/653827992.db2.gz UAUHDPYMWRHWFC-NWDGAFQWSA-N 1 2 394.273 2.043 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)CCc1ccc(Br)cc1 ZINC000884102137 653863507 /nfs/dbraw/zinc/86/35/07/653863507.db2.gz RZWKNMNMNKZRID-WFASDCNBSA-N 1 2 383.286 2.333 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)Cc1cc(Br)ccc1F ZINC000884116778 653864632 /nfs/dbraw/zinc/86/46/32/653864632.db2.gz FVFOELXHSUAWMW-AWEZNQCLSA-N 1 2 387.249 2.383 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCCc1ccc(Br)cc1F ZINC000884141792 653865665 /nfs/dbraw/zinc/86/56/65/653865665.db2.gz JFWIBNULWDALOJ-AWEZNQCLSA-N 1 2 387.249 2.084 20 30 GEEDLO C=C(Br)CNC(=O)NC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000868154276 654021013 /nfs/dbraw/zinc/02/10/13/654021013.db2.gz HMUUPKGNGRSJKX-UHFFFAOYSA-N 1 2 376.295 2.000 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccc(Cl)cc2)N(C[C@H]2CC[N@@H+]2C)C1=O ZINC000901541913 654129979 /nfs/dbraw/zinc/12/99/79/654129979.db2.gz ZJKMYABEDKFUBO-KGLIPLIRSA-N 1 2 380.901 2.112 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccc(Cl)cc2)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000901541913 654129993 /nfs/dbraw/zinc/12/99/93/654129993.db2.gz ZJKMYABEDKFUBO-KGLIPLIRSA-N 1 2 380.901 2.112 20 30 GEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=C)C)CC1 ZINC000802564957 654232286 /nfs/dbraw/zinc/23/22/86/654232286.db2.gz LGMVTMMJSSPRHY-UHFFFAOYSA-N 1 2 389.301 2.367 20 30 GEEDLO Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000921083583 654235298 /nfs/dbraw/zinc/23/52/98/654235298.db2.gz QEWBBYANTFBZJD-UHFFFAOYSA-N 1 2 378.523 2.313 20 30 GEEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H](O)c1ccccc1Br ZINC000832673671 654286226 /nfs/dbraw/zinc/28/62/26/654286226.db2.gz WDLMMIMHOVHKRM-WBVHZDCISA-N 1 2 380.286 2.223 20 30 GEEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H](O)c1ccccc1Br ZINC000832673671 654286232 /nfs/dbraw/zinc/28/62/32/654286232.db2.gz WDLMMIMHOVHKRM-WBVHZDCISA-N 1 2 380.286 2.223 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2cc(F)cc(Br)c2)no1 ZINC000904119621 654303085 /nfs/dbraw/zinc/30/30/85/654303085.db2.gz VPCWDOHTCVDMRY-LBPRGKRZSA-N 1 2 384.205 2.161 20 30 GEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)CC2)cc1 ZINC000905248004 654344013 /nfs/dbraw/zinc/34/40/13/654344013.db2.gz BUPOBJMYECRPMJ-AWEZNQCLSA-N 1 2 390.698 2.324 20 30 GEEDLO N#Cc1sccc1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000923564518 654469260 /nfs/dbraw/zinc/46/92/60/654469260.db2.gz SHCCLKXOQQPVLA-UHFFFAOYSA-N 1 2 375.475 2.182 20 30 GEEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(S(=O)(=O)CC(C)(C)C#N)CC2 ZINC000915321637 654868445 /nfs/dbraw/zinc/86/84/45/654868445.db2.gz GCXDZZPORLFNKG-CQSZACIVSA-N 1 2 382.555 2.309 20 30 GEEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(S(=O)(=O)CC(C)(C)C#N)CC2 ZINC000915321637 654868447 /nfs/dbraw/zinc/86/84/47/654868447.db2.gz GCXDZZPORLFNKG-CQSZACIVSA-N 1 2 382.555 2.309 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C2(C#N)CCC2)cn1 ZINC001164701883 719854268 /nfs/dbraw/zinc/85/42/68/719854268.db2.gz LMBGQBBSCXMAOE-GHTZIAJQSA-N 1 2 398.507 2.260 20 30 GEEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C#N)cn4)CC3)C2=O)cs1 ZINC001164829585 720357034 /nfs/dbraw/zinc/35/70/34/720357034.db2.gz SQVIZGQEPSKOSI-UHFFFAOYSA-N 1 2 396.520 2.031 20 30 GEEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C#N)cn4)CC3)C2=O)cs1 ZINC001164829585 720357040 /nfs/dbraw/zinc/35/70/40/720357040.db2.gz SQVIZGQEPSKOSI-UHFFFAOYSA-N 1 2 396.520 2.031 20 30 GEEDLO N#Cc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913656 721771250 /nfs/dbraw/zinc/77/12/50/721771250.db2.gz ZQZYOEXPXATNFE-FQEVSTJZSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913656 721771254 /nfs/dbraw/zinc/77/12/54/721771254.db2.gz ZQZYOEXPXATNFE-FQEVSTJZSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1cnc(Cl)cc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912669 721771354 /nfs/dbraw/zinc/77/13/54/721771354.db2.gz OFLSADLWRJIZFW-HXUWFJFHSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1cnc(Cl)cc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912669 721771357 /nfs/dbraw/zinc/77/13/57/721771357.db2.gz OFLSADLWRJIZFW-HXUWFJFHSA-N 1 2 399.882 2.109 20 30 GEEDLO CCC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@@H+]1CCOC ZINC000166036907 531875217 /nfs/dbraw/zinc/87/52/17/531875217.db2.gz YRYLDKDERNEWLS-CQSZACIVSA-N 1 2 385.917 2.333 20 30 GEEDLO CCC[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@H+]1CCOC ZINC000166036907 531875224 /nfs/dbraw/zinc/87/52/24/531875224.db2.gz YRYLDKDERNEWLS-CQSZACIVSA-N 1 2 385.917 2.333 20 30 GEEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000067400031 531885508 /nfs/dbraw/zinc/88/55/08/531885508.db2.gz ZAEVINPJWMZZBQ-HNNXBMFYSA-N 1 2 381.885 2.215 20 30 GEEDLO C=CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000067400031 531885513 /nfs/dbraw/zinc/88/55/13/531885513.db2.gz ZAEVINPJWMZZBQ-HNNXBMFYSA-N 1 2 381.885 2.215 20 30 GEEDLO CC(C)NC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120990139 532006417 /nfs/dbraw/zinc/00/64/17/532006417.db2.gz UGSZMCOVGWXWTA-MRXNPFEDSA-N 1 2 379.302 2.156 20 30 GEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000123353343 532098968 /nfs/dbraw/zinc/09/89/68/532098968.db2.gz WARHSGWSFQHEDS-AWEZNQCLSA-N 1 2 383.901 2.087 20 30 GEEDLO COc1nc(N2CC[NH+](Cc3cccc(C#N)c3)CC2)ncc1Br ZINC000175867625 532118004 /nfs/dbraw/zinc/11/80/04/532118004.db2.gz IRFCOQGQGSUSCH-UHFFFAOYSA-N 1 2 388.269 2.442 20 30 GEEDLO C[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000181325197 532296100 /nfs/dbraw/zinc/29/61/00/532296100.db2.gz NWZOCDDDEYHVBS-LLVKDONJSA-N 1 2 376.272 2.316 20 30 GEEDLO C[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)C[C@@H](O)C(F)(F)F ZINC000181325197 532296102 /nfs/dbraw/zinc/29/61/02/532296102.db2.gz NWZOCDDDEYHVBS-LLVKDONJSA-N 1 2 376.272 2.316 20 30 GEEDLO CC(C)C[C@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)[NH+]1CCOCC1 ZINC000186231895 532340202 /nfs/dbraw/zinc/34/02/02/532340202.db2.gz DEULQHMSNOPDBE-OAHLLOKOSA-N 1 2 385.917 2.237 20 30 GEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191772559 532366138 /nfs/dbraw/zinc/36/61/38/532366138.db2.gz NRLMHNPCZCXQFT-AWEZNQCLSA-N 1 2 393.329 2.353 20 30 GEEDLO C[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000192968387 532414645 /nfs/dbraw/zinc/41/46/45/532414645.db2.gz OXRPOLXJJLDSHL-AWEZNQCLSA-N 1 2 375.519 2.486 20 30 GEEDLO C[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000192968387 532414653 /nfs/dbraw/zinc/41/46/53/532414653.db2.gz OXRPOLXJJLDSHL-AWEZNQCLSA-N 1 2 375.519 2.486 20 30 GEEDLO C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000518109240 532435492 /nfs/dbraw/zinc/43/54/92/532435492.db2.gz MZKPRSSFNXVIFO-RISCZKNCSA-N 1 2 382.258 2.210 20 30 GEEDLO Cc1nc(N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)cc[nH+]1 ZINC000295951467 532489837 /nfs/dbraw/zinc/48/98/37/532489837.db2.gz IRJMUJIZRBSIRX-UHFFFAOYSA-N 1 2 386.253 2.382 20 30 GEEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000282919844 532505570 /nfs/dbraw/zinc/50/55/70/532505570.db2.gz SMYHDYXTLDCHOC-DOMZBBRYSA-N 1 2 381.889 2.089 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000246006327 532529376 /nfs/dbraw/zinc/52/93/76/532529376.db2.gz YWVGYDBAJVIPFE-DLBZAZTESA-N 1 2 380.535 2.318 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000246006327 532529381 /nfs/dbraw/zinc/52/93/81/532529381.db2.gz YWVGYDBAJVIPFE-DLBZAZTESA-N 1 2 380.535 2.318 20 30 GEEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000432985051 532551831 /nfs/dbraw/zinc/55/18/31/532551831.db2.gz OOETWKBLMYXNPK-LLVKDONJSA-N 1 2 395.282 2.235 20 30 GEEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ncc(Br)cn1 ZINC000432997527 532551993 /nfs/dbraw/zinc/55/19/93/532551993.db2.gz MFQPHXXWIZQOMV-LLVKDONJSA-N 1 2 395.282 2.235 20 30 GEEDLO NC(=[NH+]OCc1noc(Cc2ccc(Br)cc2)n1)[C@H]1CCCO1 ZINC000283761837 532555373 /nfs/dbraw/zinc/55/53/73/532555373.db2.gz BAHSXKUQMDRTSS-GFCCVEGCSA-N 1 2 381.230 2.391 20 30 GEEDLO C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cscn1 ZINC000595668111 532570689 /nfs/dbraw/zinc/57/06/89/532570689.db2.gz LHLPHFQCFLXTDQ-ZFWWWQNUSA-N 1 2 375.523 2.264 20 30 GEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528783961 532581006 /nfs/dbraw/zinc/58/10/06/532581006.db2.gz ILZDQOCWXSMQLL-PADGDEHFSA-N 1 2 377.535 2.421 20 30 GEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528783961 532581013 /nfs/dbraw/zinc/58/10/13/532581013.db2.gz ILZDQOCWXSMQLL-PADGDEHFSA-N 1 2 377.535 2.421 20 30 GEEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000566634324 532622083 /nfs/dbraw/zinc/62/20/83/532622083.db2.gz ZIHUVIQWXAFOLN-UHFFFAOYSA-N 1 2 390.241 2.004 20 30 GEEDLO C[C@]1(C#N)CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000596928136 532608466 /nfs/dbraw/zinc/60/84/66/532608466.db2.gz ODQZVOUPBCXISI-MRXNPFEDSA-N 1 2 394.273 2.448 20 30 GEEDLO N#CCCN1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000617886508 532755368 /nfs/dbraw/zinc/75/53/68/532755368.db2.gz IDHPGCOLNLILIL-MRXNPFEDSA-N 1 2 377.286 2.086 20 30 GEEDLO N#Cc1c(Br)cccc1S(=O)(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000287004996 532778288 /nfs/dbraw/zinc/77/82/88/532778288.db2.gz UGCOYIRWUAKNKW-UHFFFAOYSA-N 1 2 395.282 2.332 20 30 GEEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000286761784 532768083 /nfs/dbraw/zinc/76/80/83/532768083.db2.gz DVLHADWIYVCDBU-UHFFFAOYSA-N 1 2 384.299 2.180 20 30 GEEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287050406 532780889 /nfs/dbraw/zinc/78/08/89/532780889.db2.gz ABRNRUSVLKXJSB-GFCCVEGCSA-N 1 2 380.290 2.078 20 30 GEEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000271239534 532805980 /nfs/dbraw/zinc/80/59/80/532805980.db2.gz OJMZZTXADARKBE-UHFFFAOYSA-N 1 2 383.279 2.444 20 30 GEEDLO N#CCCN(CCC#N)C(=O)C[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000271239534 532805983 /nfs/dbraw/zinc/80/59/83/532805983.db2.gz OJMZZTXADARKBE-UHFFFAOYSA-N 1 2 383.279 2.444 20 30 GEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329587243 532808747 /nfs/dbraw/zinc/80/87/47/532808747.db2.gz RWVDEIYURYLWKD-RYUDHWBXSA-N 1 2 381.523 2.451 20 30 GEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000329587243 532808750 /nfs/dbraw/zinc/80/87/50/532808750.db2.gz RWVDEIYURYLWKD-RYUDHWBXSA-N 1 2 381.523 2.451 20 30 GEEDLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329936142 532813379 /nfs/dbraw/zinc/81/33/79/532813379.db2.gz RKHMFILHAHEZMZ-GDLCADMTSA-N 1 2 386.279 2.228 20 30 GEEDLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329936142 532813380 /nfs/dbraw/zinc/81/33/80/532813380.db2.gz RKHMFILHAHEZMZ-GDLCADMTSA-N 1 2 386.279 2.228 20 30 GEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000330373215 532817474 /nfs/dbraw/zinc/81/74/74/532817474.db2.gz KXXUXGVELRMBJF-HNNXBMFYSA-N 1 2 384.933 2.184 20 30 GEEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000414103570 532819378 /nfs/dbraw/zinc/81/93/78/532819378.db2.gz XHCSXSADCVHCDZ-CYBMUJFWSA-N 1 2 381.889 2.336 20 30 GEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000414103570 532819380 /nfs/dbraw/zinc/81/93/80/532819380.db2.gz XHCSXSADCVHCDZ-CYBMUJFWSA-N 1 2 381.889 2.336 20 30 GEEDLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000330618053 532822675 /nfs/dbraw/zinc/82/26/75/532822675.db2.gz XKPLFPSOKWYDBV-UHFFFAOYSA-N 1 2 375.416 2.347 20 30 GEEDLO Cc1ccc(I)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000331141592 532834028 /nfs/dbraw/zinc/83/40/28/532834028.db2.gz XKVYUWDNNYTKQC-GFCCVEGCSA-N 1 2 389.237 2.256 20 30 GEEDLO Cc1ccc(I)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000331141592 532834031 /nfs/dbraw/zinc/83/40/31/532834031.db2.gz XKVYUWDNNYTKQC-GFCCVEGCSA-N 1 2 389.237 2.256 20 30 GEEDLO Cn1ncc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1Br ZINC000274246401 532846170 /nfs/dbraw/zinc/84/61/70/532846170.db2.gz SEYXCJTXQVGTPB-UHFFFAOYSA-N 1 2 388.269 2.012 20 30 GEEDLO C=CCCS(=O)(=O)N1CCCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000366298603 532916138 /nfs/dbraw/zinc/91/61/38/532916138.db2.gz IWQRWBHMJMLYCJ-UHFFFAOYSA-N 1 2 382.917 2.401 20 30 GEEDLO COc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000821794431 607387549 /nfs/dbraw/zinc/38/75/49/607387549.db2.gz GSNMQILEQHSLSH-IBGZPJMESA-N 1 2 389.463 2.258 20 30 GEEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c(-c2nn[nH]n2)c1C ZINC000822557176 606201218 /nfs/dbraw/zinc/20/12/18/606201218.db2.gz HFEJTJUJEVJFPE-UHFFFAOYSA-N 1 2 381.465 2.487 20 30 GEEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c(-c2nn[nH]n2)c1C ZINC000822557176 606201220 /nfs/dbraw/zinc/20/12/20/606201220.db2.gz HFEJTJUJEVJFPE-UHFFFAOYSA-N 1 2 381.465 2.487 20 30 GEEDLO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000826168907 608372440 /nfs/dbraw/zinc/37/24/40/608372440.db2.gz BSBZHGSYUMXTTQ-IBGZPJMESA-N 1 2 389.463 2.258 20 30 GEEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826384619 608466896 /nfs/dbraw/zinc/46/68/96/608466896.db2.gz CMBXKWXTJMVCEU-UHFFFAOYSA-N 1 2 399.458 2.144 20 30 GEEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826384619 608466897 /nfs/dbraw/zinc/46/68/97/608466897.db2.gz CMBXKWXTJMVCEU-UHFFFAOYSA-N 1 2 399.458 2.144 20 30 GEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450241038 650062540 /nfs/dbraw/zinc/06/25/40/650062540.db2.gz FWVHLBRFVZBKFB-ZDUSSCGKSA-N 1 2 389.253 2.449 20 30 GEEDLO Cc1nc(N2CCN(C(=O)c3cccc(C#N)c3Br)CC2)cc[nH+]1 ZINC000450596411 650067726 /nfs/dbraw/zinc/06/77/26/650067726.db2.gz GCDLYVPLQTWOLJ-UHFFFAOYSA-N 1 2 386.253 2.382 20 30 GEEDLO N#CCc1ccc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000450974329 650077367 /nfs/dbraw/zinc/07/73/67/650077367.db2.gz UTFGDAYNWLHPES-UHFFFAOYSA-N 1 2 376.869 2.312 20 30 GEEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000451968769 650158904 /nfs/dbraw/zinc/15/89/04/650158904.db2.gz JJWJYEIDNMRERO-GFCCVEGCSA-N 1 2 386.315 2.426 20 30 GEEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)[N@@H+]1CCc2sccc2C1 ZINC000489116885 650754627 /nfs/dbraw/zinc/75/46/27/650754627.db2.gz XWHVKXIWVQZZBP-LBPRGKRZSA-N 1 2 379.482 2.484 20 30 GEEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)[N@H+]1CCc2sccc2C1 ZINC000489116885 650754630 /nfs/dbraw/zinc/75/46/30/650754630.db2.gz XWHVKXIWVQZZBP-LBPRGKRZSA-N 1 2 379.482 2.484 20 30 GEEDLO N#CCCCS(=O)(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000111333367 643333570 /nfs/dbraw/zinc/33/35/70/643333570.db2.gz KHPZAKMMNUEERV-UHFFFAOYSA-N 1 2 384.933 2.075 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)c1ccccc1Br ZINC000154848353 644060432 /nfs/dbraw/zinc/06/04/32/644060432.db2.gz UKRIBDGVMNHQLB-QGZVFWFLSA-N 1 2 382.302 2.030 20 30 GEEDLO C[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000156407952 644094906 /nfs/dbraw/zinc/09/49/06/644094906.db2.gz DOJXIEWOLFTTFK-GFCCVEGCSA-N 1 2 379.482 2.484 20 30 GEEDLO C[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)[N@H+]1CCc2sccc2C1 ZINC000156407952 644094909 /nfs/dbraw/zinc/09/49/09/644094909.db2.gz DOJXIEWOLFTTFK-GFCCVEGCSA-N 1 2 379.482 2.484 20 30 GEEDLO C=CCNC(=O)CN1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000543140262 650900497 /nfs/dbraw/zinc/90/04/97/650900497.db2.gz QUVUXUDSNKGBNS-UHFFFAOYSA-N 1 2 380.330 2.302 20 30 GEEDLO C#Cc1cccc(NC(=O)C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000179218518 644453217 /nfs/dbraw/zinc/45/32/17/644453217.db2.gz ZOOYZLGFCXECJI-KRWDZBQOSA-N 1 2 386.249 2.185 20 30 GEEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)N3CCCC3)CC2)c(Br)c1 ZINC000180898759 644517247 /nfs/dbraw/zinc/51/72/47/644517247.db2.gz SRLPBPPSHAJGOJ-UHFFFAOYSA-N 1 2 391.313 2.061 20 30 GEEDLO C#CCSCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000245790907 645469828 /nfs/dbraw/zinc/46/98/28/645469828.db2.gz XGELVNVXEBVMSC-SJORKVTESA-N 1 2 381.929 2.377 20 30 GEEDLO C#CCSCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000245790907 645469836 /nfs/dbraw/zinc/46/98/36/645469836.db2.gz XGELVNVXEBVMSC-SJORKVTESA-N 1 2 381.929 2.377 20 30 GEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330395517 647334608 /nfs/dbraw/zinc/33/46/08/647334608.db2.gz AKDVFJRMGMIWJA-HFBAOOFYSA-N 1 2 388.896 2.293 20 30 GEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330395517 647334610 /nfs/dbraw/zinc/33/46/10/647334610.db2.gz AKDVFJRMGMIWJA-HFBAOOFYSA-N 1 2 388.896 2.293 20 30 GEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@H]1C ZINC000408040112 647920683 /nfs/dbraw/zinc/92/06/83/647920683.db2.gz CZEZIKZFGSBHRE-VXGBXAGGSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@H]1C ZINC000408040112 647920689 /nfs/dbraw/zinc/92/06/89/647920689.db2.gz CZEZIKZFGSBHRE-VXGBXAGGSA-N 1 2 386.315 2.424 20 30 GEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000730096323 651590563 /nfs/dbraw/zinc/59/05/63/651590563.db2.gz OKFANFAVELXCSU-INIZCTEOSA-N 1 2 392.297 2.252 20 30 GEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000730096323 651590566 /nfs/dbraw/zinc/59/05/66/651590566.db2.gz OKFANFAVELXCSU-INIZCTEOSA-N 1 2 392.297 2.252 20 30 GEEDLO C#CCNC(=O)C1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000735483774 651783874 /nfs/dbraw/zinc/78/38/74/651783874.db2.gz AFPHPMNQCMQXAL-UHFFFAOYSA-N 1 2 375.270 2.218 20 30 GEEDLO Cc1cc2c(c(Br)c1)NC(=O)C2=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753936628 652420910 /nfs/dbraw/zinc/42/09/10/652420910.db2.gz ADMYTIBXCAJUCJ-RYUDHWBXSA-N 1 2 376.258 2.274 20 30 GEEDLO N#CC[C@]1(O)CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000592847372 652604754 /nfs/dbraw/zinc/60/47/54/652604754.db2.gz XPCWHNQKFYCENP-WMZOPIPTSA-N 1 2 392.297 2.463 20 30 GEEDLO Cc1ccc(Br)c2ncc(C#N)c(NC[C@H]3CN(C)CC[N@@H+]3C)c12 ZINC000601115797 652955142 /nfs/dbraw/zinc/95/51/42/652955142.db2.gz KUKGMELLRZXMAI-AWEZNQCLSA-N 1 2 388.313 2.257 20 30 GEEDLO Cc1ccc(Br)c2ncc(C#N)c(NC[C@H]3CN(C)CC[N@H+]3C)c12 ZINC000601115797 652955146 /nfs/dbraw/zinc/95/51/46/652955146.db2.gz KUKGMELLRZXMAI-AWEZNQCLSA-N 1 2 388.313 2.257 20 30 GEEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)c1 ZINC000602434589 653180725 /nfs/dbraw/zinc/18/07/25/653180725.db2.gz HHGQNTUGSUCURX-UHFFFAOYSA-N 1 2 398.268 2.081 20 30 GEEDLO C#C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@@H]1CCCO1 ZINC000775572567 653317744 /nfs/dbraw/zinc/31/77/44/653317744.db2.gz SHLBBYZVYGTWQY-KKUMJFAQSA-N 1 2 384.295 2.438 20 30 GEEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)cn1 ZINC000877646017 653615421 /nfs/dbraw/zinc/61/54/21/653615421.db2.gz ZUCGYPSWUPLLGP-UHFFFAOYSA-N 1 2 398.268 2.081 20 30 GEEDLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cc(C#N)ccc3Br)C2)C1 ZINC000879489805 653670280 /nfs/dbraw/zinc/67/02/80/653670280.db2.gz MTNVXEIWQAHXFG-INIZCTEOSA-N 1 2 378.226 2.215 20 30 GEEDLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cc(C#N)ccc3Br)C2)C1 ZINC000879489805 653670282 /nfs/dbraw/zinc/67/02/82/653670282.db2.gz MTNVXEIWQAHXFG-INIZCTEOSA-N 1 2 378.226 2.215 20 30 GEEDLO O=C1Nc2ccc(F)c(Br)c2C1=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000863103888 653702149 /nfs/dbraw/zinc/70/21/49/653702149.db2.gz MZXCZUDMQFBJMJ-IUCAKERBSA-N 1 2 380.221 2.104 20 30 GEEDLO C=CCOCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000865354809 653762093 /nfs/dbraw/zinc/76/20/93/653762093.db2.gz WXVQRWLCFLCMJO-UHFFFAOYSA-N 1 2 381.523 2.433 20 30 GEEDLO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1c(I)cnn1C ZINC000865868798 653778055 /nfs/dbraw/zinc/77/80/55/653778055.db2.gz NLIRLXAIRWKTJZ-UHFFFAOYSA-N 1 2 395.248 2.252 20 30 GEEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2c[nH+]c(C)cc2C)s1 ZINC000823446660 653868954 /nfs/dbraw/zinc/86/89/54/653868954.db2.gz MKBYCUQQRYUMRV-UHFFFAOYSA-N 1 2 379.507 2.083 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000884318166 653871791 /nfs/dbraw/zinc/87/17/91/653871791.db2.gz OXRFJQCLYQSFBS-JSGCOSHPSA-N 1 2 386.279 2.135 20 30 GEEDLO N#Cc1cn(Cc2[nH+]ccn2CC(F)(F)F)nc1I ZINC000849923882 654062075 /nfs/dbraw/zinc/06/20/75/654062075.db2.gz OUAUANYINRXTHW-UHFFFAOYSA-N 1 2 381.099 2.166 20 30 GEEDLO C=C(Br)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000900396885 654062276 /nfs/dbraw/zinc/06/22/76/654062276.db2.gz CABUDJKUAMTLRO-AWEZNQCLSA-N 1 2 383.290 2.042 20 30 GEEDLO C=C(Br)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000900396885 654062278 /nfs/dbraw/zinc/06/22/78/654062278.db2.gz CABUDJKUAMTLRO-AWEZNQCLSA-N 1 2 383.290 2.042 20 30 GEEDLO C#CCC[C@@H](O)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000798454606 654063917 /nfs/dbraw/zinc/06/39/17/654063917.db2.gz NVRJVSSEPFTYLV-OAHLLOKOSA-N 1 2 393.285 2.021 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccc(Cl)cc2)N(C[C@@H]2CC[N@@H+]2C)C1=O ZINC000901541912 654130168 /nfs/dbraw/zinc/13/01/68/654130168.db2.gz ZJKMYABEDKFUBO-KBPBESRZSA-N 1 2 380.901 2.112 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccc(Cl)cc2)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000901541912 654130171 /nfs/dbraw/zinc/13/01/71/654130171.db2.gz ZJKMYABEDKFUBO-KBPBESRZSA-N 1 2 380.901 2.112 20 30 GEEDLO C#CCCCS(=O)(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000804970884 654329626 /nfs/dbraw/zinc/32/96/26/654329626.db2.gz VUQIQYNAKGXLBC-UHFFFAOYSA-N 1 2 383.945 2.185 20 30 GEEDLO COc1ccc(C[NH2+]Cc2cn(C)nc2I)cc1C#N ZINC000894358267 654469010 /nfs/dbraw/zinc/46/90/10/654469010.db2.gz GTJXJMKKZDOQKX-UHFFFAOYSA-N 1 2 382.205 2.195 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C#N)c2ccccc2n1 ZINC001164703089 719867684 /nfs/dbraw/zinc/86/76/84/719867684.db2.gz JTVGSEKZAIJPOP-VGOFRKELSA-N 1 2 394.475 2.339 20 30 GEEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncccc4C#N)CC3)C2=O)cs1 ZINC001164825511 720360066 /nfs/dbraw/zinc/36/00/66/720360066.db2.gz QAPZQYBUGIMCGB-UHFFFAOYSA-N 1 2 396.520 2.031 20 30 GEEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncccc4C#N)CC3)C2=O)cs1 ZINC001164825511 720360073 /nfs/dbraw/zinc/36/00/73/720360073.db2.gz QAPZQYBUGIMCGB-UHFFFAOYSA-N 1 2 396.520 2.031 20 30 GEEDLO Cn1ccc(CN2CCOCC23CCN(c2[nH+]ccc4[nH]cc(C#N)c42)CC3)n1 ZINC001164936199 721907386 /nfs/dbraw/zinc/90/73/86/721907386.db2.gz LVGCIEIUSZTGIM-UHFFFAOYSA-N 1 2 391.479 2.039 20 30 GEEDLO COc1cc(C(F)(F)N2CC[NH+](C[C@H]3CCCO3)CC2)c(C#N)c(Cl)n1 ZINC001165038259 721912952 /nfs/dbraw/zinc/91/29/52/721912952.db2.gz MOBZRFOUEYFJLZ-GFCCVEGCSA-N 1 2 386.830 2.461 20 30 GEEDLO CCC[N@@H+](CC#N)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000058909446 531839574 /nfs/dbraw/zinc/83/95/74/531839574.db2.gz NGLBOXYZUAZGCT-UHFFFAOYSA-N 1 2 386.905 2.154 20 30 GEEDLO CCC[N@H+](CC#N)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000058909446 531839580 /nfs/dbraw/zinc/83/95/80/531839580.db2.gz NGLBOXYZUAZGCT-UHFFFAOYSA-N 1 2 386.905 2.154 20 30 GEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120981578 532006329 /nfs/dbraw/zinc/00/63/29/532006329.db2.gz SMJOPPWXLIHIAI-SUMWQHHRSA-N 1 2 391.313 2.298 20 30 GEEDLO CN(C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)C1CC1 ZINC000120996759 532007344 /nfs/dbraw/zinc/00/73/44/532007344.db2.gz YOIWSRVNJLMAPP-QGZVFWFLSA-N 1 2 391.313 2.252 20 30 GEEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000122305252 532065962 /nfs/dbraw/zinc/06/59/62/532065962.db2.gz NAJYZZDQOMJREL-UHFFFAOYSA-N 1 2 380.495 2.121 20 30 GEEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000122305252 532065970 /nfs/dbraw/zinc/06/59/70/532065970.db2.gz NAJYZZDQOMJREL-UHFFFAOYSA-N 1 2 380.495 2.121 20 30 GEEDLO Cc1sc(NC(=O)CN2CCN(C3=[NH+]C[C@H](C)S3)CC2)c(C#N)c1C ZINC000175806798 532115816 /nfs/dbraw/zinc/11/58/16/532115816.db2.gz DILNFZMCUPBMQX-NSHDSACASA-N 1 2 377.539 2.284 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000178999155 532220581 /nfs/dbraw/zinc/22/05/81/532220581.db2.gz WRFUDHIZSFPJFN-UHFFFAOYSA-N 1 2 376.507 2.001 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000178999155 532220584 /nfs/dbraw/zinc/22/05/84/532220584.db2.gz WRFUDHIZSFPJFN-UHFFFAOYSA-N 1 2 376.507 2.001 20 30 GEEDLO CC[N@H+](CCNC(=O)c1cc(C#N)c(SC)[nH]c1=O)CCC(F)(F)F ZINC000427268827 532418404 /nfs/dbraw/zinc/41/84/04/532418404.db2.gz ZPMWCQAGZAZHBC-UHFFFAOYSA-N 1 2 376.404 2.385 20 30 GEEDLO CC[N@@H+](CCNC(=O)c1cc(C#N)c(SC)[nH]c1=O)CCC(F)(F)F ZINC000427268827 532418414 /nfs/dbraw/zinc/41/84/14/532418414.db2.gz ZPMWCQAGZAZHBC-UHFFFAOYSA-N 1 2 376.404 2.385 20 30 GEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000374352965 532498368 /nfs/dbraw/zinc/49/83/68/532498368.db2.gz QGZWLIPPQYFXTM-GFCCVEGCSA-N 1 2 395.282 2.232 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)cc1Br ZINC000432937850 532550762 /nfs/dbraw/zinc/55/07/62/532550762.db2.gz IUHFGAXGFLIUFE-UHFFFAOYSA-N 1 2 391.250 2.447 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)cc1Br ZINC000433876499 532581391 /nfs/dbraw/zinc/58/13/91/532581391.db2.gz DXKLVTZBYSMKBW-UHFFFAOYSA-N 1 2 391.250 2.447 20 30 GEEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000285231462 532661240 /nfs/dbraw/zinc/66/12/40/532661240.db2.gz BBTGJBYKVJRWSM-CQSZACIVSA-N 1 2 386.315 2.177 20 30 GEEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000285231462 532661244 /nfs/dbraw/zinc/66/12/44/532661244.db2.gz BBTGJBYKVJRWSM-CQSZACIVSA-N 1 2 386.315 2.177 20 30 GEEDLO CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1[nH+]ccn1C ZINC000264269935 532668251 /nfs/dbraw/zinc/66/82/51/532668251.db2.gz GAAMRDBPTKXSKT-UHFFFAOYSA-N 1 2 393.241 2.148 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000488034034 532699833 /nfs/dbraw/zinc/69/98/33/532699833.db2.gz KRTWMDULFAWHIY-KRWDZBQOSA-N 1 2 384.929 2.064 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000488034034 532699838 /nfs/dbraw/zinc/69/98/38/532699838.db2.gz KRTWMDULFAWHIY-KRWDZBQOSA-N 1 2 384.929 2.064 20 30 GEEDLO N#Cc1cnn2c1NC[C@H](C[NH2+]Cc1nc3cccc(Br)c3[nH]1)C2 ZINC000569693936 532703501 /nfs/dbraw/zinc/70/35/01/532703501.db2.gz BWQFCRXRLDIAFH-JTQLQIEISA-N 1 2 386.257 2.225 20 30 GEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000572606112 532706919 /nfs/dbraw/zinc/70/69/19/532706919.db2.gz FLEJSFGZAGOUME-MRXNPFEDSA-N 1 2 376.258 2.208 20 30 GEEDLO C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000408453494 532718734 /nfs/dbraw/zinc/71/87/34/532718734.db2.gz RBNJFNIRDBHXFT-WFASDCNBSA-N 1 2 378.270 2.113 20 30 GEEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)s1 ZINC000514975296 532782147 /nfs/dbraw/zinc/78/21/47/532782147.db2.gz NFNNFNQUMBFUSZ-UHFFFAOYSA-N 1 2 376.507 2.084 20 30 GEEDLO C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)S1 ZINC000269760787 532790705 /nfs/dbraw/zinc/79/07/05/532790705.db2.gz CCCRFYHXYPOSMH-NSHDSACASA-N 1 2 384.914 2.009 20 30 GEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000548457062 532791097 /nfs/dbraw/zinc/79/10/97/532791097.db2.gz CFSSTMPBMITHHB-HZPDHXFCSA-N 1 2 383.901 2.133 20 30 GEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@@H]21 ZINC000287056587 532780431 /nfs/dbraw/zinc/78/04/31/532780431.db2.gz AKRKCLXUEYSQFG-GJZGRUSLSA-N 1 2 379.258 2.258 20 30 GEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@@H]21 ZINC000287056587 532780434 /nfs/dbraw/zinc/78/04/34/532780434.db2.gz AKRKCLXUEYSQFG-GJZGRUSLSA-N 1 2 379.258 2.258 20 30 GEEDLO N#Cc1ccc(/C=C2\SC(=S)N(CC[NH+]3CCOCC3)C2=O)c(F)c1 ZINC000269402302 532781124 /nfs/dbraw/zinc/78/11/24/532781124.db2.gz DDDYEMJDVDTKAN-GDNBJRDFSA-N 1 2 377.466 2.231 20 30 GEEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(S(=O)(=O)CC1(C#N)CC1)CC2 ZINC000554929342 532806513 /nfs/dbraw/zinc/80/65/13/532806513.db2.gz UDPNGXXQWKRCTR-AWEZNQCLSA-N 1 2 380.539 2.063 20 30 GEEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(S(=O)(=O)CC1(C#N)CC1)CC2 ZINC000554929342 532806515 /nfs/dbraw/zinc/80/65/15/532806515.db2.gz UDPNGXXQWKRCTR-AWEZNQCLSA-N 1 2 380.539 2.063 20 30 GEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC000272825641 532818422 /nfs/dbraw/zinc/81/84/22/532818422.db2.gz JWIZKBQQRKJATG-UHFFFAOYSA-N 1 2 382.507 2.421 20 30 GEEDLO CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1c[nH+]cn1C ZINC000291546049 532903955 /nfs/dbraw/zinc/90/39/55/532903955.db2.gz YFLQRUBFHTZGPZ-UHFFFAOYSA-N 1 2 393.241 2.148 20 30 GEEDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)C2 ZINC000365506865 532910932 /nfs/dbraw/zinc/91/09/32/532910932.db2.gz WUVNSKAJQCSOFJ-LBPRGKRZSA-N 1 2 395.282 2.119 20 30 GEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)nc1C ZINC000368488200 532932787 /nfs/dbraw/zinc/93/27/87/532932787.db2.gz YTDPGDUVLYJKTB-QMMMGPOBSA-N 1 2 386.453 2.120 20 30 GEEDLO COc1ccc(-c2nn[nH]n2)cc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000826183460 607516048 /nfs/dbraw/zinc/51/60/48/607516048.db2.gz PUANDNMXVBVHQH-UHFFFAOYSA-N 1 2 389.463 2.065 20 30 GEEDLO C=C(Br)C[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823874377 607655871 /nfs/dbraw/zinc/65/58/71/607655871.db2.gz VUADGXLBTDTYTE-UHFFFAOYSA-N 1 2 391.273 2.426 20 30 GEEDLO NC(=[NH+]OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)c1ccc(F)cc1 ZINC000822846001 606596209 /nfs/dbraw/zinc/59/62/09/606596209.db2.gz MXKSYDIZBDCYLO-UHFFFAOYSA-N 1 2 378.314 2.444 20 30 GEEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823861941 608851602 /nfs/dbraw/zinc/85/16/02/608851602.db2.gz UOOZKRQPSSCJII-HXUWFJFHSA-N 1 2 375.432 2.452 20 30 GEEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823861941 608851605 /nfs/dbraw/zinc/85/16/05/608851605.db2.gz UOOZKRQPSSCJII-HXUWFJFHSA-N 1 2 375.432 2.452 20 30 GEEDLO CN(CCCn1cc[nH+]c1)C(=O)COc1cccc(Br)c1C#N ZINC000450154760 650061342 /nfs/dbraw/zinc/06/13/42/650061342.db2.gz AZQGJRMKFHPUDC-UHFFFAOYSA-N 1 2 377.242 2.445 20 30 GEEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000451938856 650155503 /nfs/dbraw/zinc/15/55/03/650155503.db2.gz XWCFWHMIOFNQLI-ZDUSSCGKSA-N 1 2 386.315 2.426 20 30 GEEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000451938856 650155505 /nfs/dbraw/zinc/15/55/05/650155505.db2.gz XWCFWHMIOFNQLI-ZDUSSCGKSA-N 1 2 386.315 2.426 20 30 GEEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000451968771 650158810 /nfs/dbraw/zinc/15/88/10/650158810.db2.gz JJWJYEIDNMRERO-LBPRGKRZSA-N 1 2 386.315 2.426 20 30 GEEDLO C=C(Br)CNC(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000137614913 643921748 /nfs/dbraw/zinc/92/17/48/643921748.db2.gz ICWRDALFWAHHLO-UHFFFAOYSA-N 1 2 398.301 2.310 20 30 GEEDLO C#Cc1cccc(NC(=O)C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c1 ZINC000179218531 644453618 /nfs/dbraw/zinc/45/36/18/644453618.db2.gz ZOOYZLGFCXECJI-QGZVFWFLSA-N 1 2 386.249 2.185 20 30 GEEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(Br)c1 ZINC000181152191 644527311 /nfs/dbraw/zinc/52/73/11/644527311.db2.gz JSMLGMLBIVNONI-HNNXBMFYSA-N 1 2 398.326 2.321 20 30 GEEDLO N#Cc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c(Br)c1 ZINC000181152191 644527317 /nfs/dbraw/zinc/52/73/17/644527317.db2.gz JSMLGMLBIVNONI-HNNXBMFYSA-N 1 2 398.326 2.321 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000190375876 645155536 /nfs/dbraw/zinc/15/55/36/645155536.db2.gz KECPYUTXPCQVSN-GOSISDBHSA-N 1 2 384.929 2.064 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000190375876 645155539 /nfs/dbraw/zinc/15/55/39/645155539.db2.gz KECPYUTXPCQVSN-GOSISDBHSA-N 1 2 384.929 2.064 20 30 GEEDLO C[NH+](C)CCCNC(=O)C[C@H]1S/C(=N/c2ccc(Cl)cc2F)NC1=O ZINC000278190409 646501054 /nfs/dbraw/zinc/50/10/54/646501054.db2.gz GKLNJZSQVXXYJO-CYBMUJFWSA-N 1 2 386.880 2.156 20 30 GEEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCCS(=O)(=O)CC3)n2)C1 ZINC000329429055 647320830 /nfs/dbraw/zinc/32/08/30/647320830.db2.gz JVGOSBVFMZOZDP-ZDUSSCGKSA-N 1 2 386.543 2.041 20 30 GEEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCCS(=O)(=O)CC3)n2)C1 ZINC000329429055 647320832 /nfs/dbraw/zinc/32/08/32/647320832.db2.gz JVGOSBVFMZOZDP-ZDUSSCGKSA-N 1 2 386.543 2.041 20 30 GEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330395519 647334652 /nfs/dbraw/zinc/33/46/52/647334652.db2.gz AKDVFJRMGMIWJA-RLCCDNCMSA-N 1 2 388.896 2.293 20 30 GEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330395519 647334655 /nfs/dbraw/zinc/33/46/55/647334655.db2.gz AKDVFJRMGMIWJA-RLCCDNCMSA-N 1 2 388.896 2.293 20 30 GEEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000332629777 647449734 /nfs/dbraw/zinc/44/97/34/647449734.db2.gz ORJVFNPXEQWTPR-UHFFFAOYSA-N 1 2 379.551 2.128 20 30 GEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(Br)c1 ZINC000364836200 647645457 /nfs/dbraw/zinc/64/54/57/647645457.db2.gz ZAIQZINFSYLRBP-OAHLLOKOSA-N 1 2 398.326 2.321 20 30 GEEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c(Br)c1 ZINC000364836200 647645458 /nfs/dbraw/zinc/64/54/58/647645458.db2.gz ZAIQZINFSYLRBP-OAHLLOKOSA-N 1 2 398.326 2.321 20 30 GEEDLO N#Cc1c(NC[C@@]2([NH+]3CCOCC3)CCSC2)nc2cc(Cl)ccn21 ZINC000376089636 647839192 /nfs/dbraw/zinc/83/91/92/647839192.db2.gz WCNNSLDSCYPBGH-KRWDZBQOSA-N 1 2 377.901 2.479 20 30 GEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000408395681 647951972 /nfs/dbraw/zinc/95/19/72/647951972.db2.gz NFZDKPXVTJTXEL-VXGBXAGGSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000408395681 647951973 /nfs/dbraw/zinc/95/19/73/647951973.db2.gz NFZDKPXVTJTXEL-VXGBXAGGSA-N 1 2 386.315 2.424 20 30 GEEDLO N#CC1(CS(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000578920130 652303625 /nfs/dbraw/zinc/30/36/25/652303625.db2.gz XQQBLMSJNMOFTK-QGZVFWFLSA-N 1 2 379.551 2.217 20 30 GEEDLO N#CC1(CS(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CCC1 ZINC000578920130 652303631 /nfs/dbraw/zinc/30/36/31/652303631.db2.gz XQQBLMSJNMOFTK-QGZVFWFLSA-N 1 2 379.551 2.217 20 30 GEEDLO N#Cc1csc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)n1 ZINC000581040756 652399104 /nfs/dbraw/zinc/39/91/04/652399104.db2.gz QKZPBWDTYVDLQN-UHFFFAOYSA-N 1 2 376.507 2.230 20 30 GEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2CS(=O)(=O)NC)cc1OC ZINC000628187406 652454349 /nfs/dbraw/zinc/45/43/49/652454349.db2.gz PECBKRCERUFYIT-CQSZACIVSA-N 1 2 388.917 2.427 20 30 GEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]2CS(=O)(=O)NC)cc1OC ZINC000628187406 652454353 /nfs/dbraw/zinc/45/43/53/652454353.db2.gz PECBKRCERUFYIT-CQSZACIVSA-N 1 2 388.917 2.427 20 30 GEEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccc(Br)nc1 ZINC000755723660 652473634 /nfs/dbraw/zinc/47/36/34/652473634.db2.gz VMYKIEDRZFEEKF-UHFFFAOYSA-N 1 2 379.262 2.169 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2c(F)cccc2I)CC1 ZINC000760480697 652611081 /nfs/dbraw/zinc/61/10/81/652611081.db2.gz ONSNOUWYMFPPIM-UHFFFAOYSA-N 1 2 386.208 2.211 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000639531697 652941174 /nfs/dbraw/zinc/94/11/74/652941174.db2.gz OCILOHGPPVKDEM-CABCVRRESA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000639531697 652941178 /nfs/dbraw/zinc/94/11/78/652941178.db2.gz OCILOHGPPVKDEM-CABCVRRESA-N 1 2 394.320 2.408 20 30 GEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(Br)cc2C)nn1 ZINC000640836343 653140700 /nfs/dbraw/zinc/14/07/00/653140700.db2.gz VVJSBPFOMMEJPD-UHFFFAOYSA-N 1 2 376.258 2.101 20 30 GEEDLO C#CCNC(=O)C1CC[NH+](Cc2nc3ccccn3c2Br)CC1 ZINC000809552414 653282234 /nfs/dbraw/zinc/28/22/34/653282234.db2.gz UBPYDVRXBVRMRB-UHFFFAOYSA-N 1 2 375.270 2.058 20 30 GEEDLO Brc1ccccc1-n1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)nn1 ZINC000811646330 653399733 /nfs/dbraw/zinc/39/97/33/653399733.db2.gz VKCLTIFJMYIXAQ-KBPBESRZSA-N 1 2 388.273 2.224 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(c2ccccc2Br)CC1 ZINC000884151454 653866036 /nfs/dbraw/zinc/86/60/36/653866036.db2.gz MUZXVHMECRTFPH-AWEZNQCLSA-N 1 2 381.270 2.044 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccsc2)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC000848397987 653974304 /nfs/dbraw/zinc/97/43/04/653974304.db2.gz AXUIGOCINOYXNQ-KWCYVHTRSA-N 1 2 380.539 2.156 20 30 GEEDLO CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC000848397987 653974313 /nfs/dbraw/zinc/97/43/13/653974313.db2.gz AXUIGOCINOYXNQ-KWCYVHTRSA-N 1 2 380.539 2.156 20 30 GEEDLO C/C(=C\C(=O)N[C@H](C#N)c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000900111586 654050520 /nfs/dbraw/zinc/05/05/20/654050520.db2.gz AVITZOAGLYDISC-QSOAKEGCSA-N 1 2 378.270 2.408 20 30 GEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000869580763 654106291 /nfs/dbraw/zinc/10/62/91/654106291.db2.gz ASOWFEXLRYYXJD-ZIAGYGMSSA-N 1 2 376.881 2.286 20 30 GEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000869580763 654106298 /nfs/dbraw/zinc/10/62/98/654106298.db2.gz ASOWFEXLRYYXJD-ZIAGYGMSSA-N 1 2 376.881 2.286 20 30 GEEDLO C[N@@H+]1CC[C@@H]1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccsc1 ZINC000901755380 654147213 /nfs/dbraw/zinc/14/72/13/654147213.db2.gz RVPQDBABPPLTCB-KGLIPLIRSA-N 1 2 378.523 2.052 20 30 GEEDLO C[N@H+]1CC[C@@H]1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccsc1 ZINC000901755380 654147217 /nfs/dbraw/zinc/14/72/17/654147217.db2.gz RVPQDBABPPLTCB-KGLIPLIRSA-N 1 2 378.523 2.052 20 30 GEEDLO C=C(Br)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000852013353 654212540 /nfs/dbraw/zinc/21/25/40/654212540.db2.gz DTEMGQONQIHQCU-MRXNPFEDSA-N 1 2 381.318 2.010 20 30 GEEDLO C=C(Br)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000852013353 654212544 /nfs/dbraw/zinc/21/25/44/654212544.db2.gz DTEMGQONQIHQCU-MRXNPFEDSA-N 1 2 381.318 2.010 20 30 GEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000921437987 654267696 /nfs/dbraw/zinc/26/76/96/654267696.db2.gz NCCQUZQLDDQUOV-UHFFFAOYSA-N 1 2 392.264 2.278 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(CCc2ccccc2Br)no1 ZINC000904104024 654301654 /nfs/dbraw/zinc/30/16/54/654301654.db2.gz KPGWZGHJTMODOB-ZDUSSCGKSA-N 1 2 380.242 2.216 20 30 GEEDLO C[C@@H](NS(=O)(=O)Cc1csc(C#N)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000914237553 654837772 /nfs/dbraw/zinc/83/77/72/654837772.db2.gz ZWEOCCIZJRJHMJ-CQSZACIVSA-N 1 2 383.539 2.073 20 30 GEEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)c(C#N)cc1Cl ZINC001164697494 719878556 /nfs/dbraw/zinc/87/85/56/719878556.db2.gz CFDICUAKEBEUQB-BEFAXECRSA-N 1 2 392.887 2.148 20 30 GEEDLO Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(C=NO)c1 ZINC001164947742 721977244 /nfs/dbraw/zinc/97/72/44/721977244.db2.gz SBABNSQCFMPMOT-UHFFFAOYSA-N 1 2 393.491 2.169 20 30 GEEDLO Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(C=NO)c1 ZINC001164947742 721977248 /nfs/dbraw/zinc/97/72/48/721977248.db2.gz SBABNSQCFMPMOT-UHFFFAOYSA-N 1 2 393.491 2.169 20 30 GEEDLO C=CCNc1nnc(S(=O)(=O)Cc2c[nH+]cn2Cc2ccccc2)s1 ZINC000479010265 531352170 /nfs/dbraw/zinc/35/21/70/531352170.db2.gz DHQUYIAMMXNIQM-UHFFFAOYSA-N 1 2 375.479 2.355 20 30 GEEDLO CCN(CC)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120975077 532005646 /nfs/dbraw/zinc/00/56/46/532005646.db2.gz BZRQPLUXTVEFOS-KRWDZBQOSA-N 1 2 393.329 2.500 20 30 GEEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120995714 532007570 /nfs/dbraw/zinc/00/75/70/532007570.db2.gz QTGZLAYTYLEQDC-CZUORRHYSA-N 1 2 379.302 2.108 20 30 GEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191771542 532365706 /nfs/dbraw/zinc/36/57/06/532365706.db2.gz OIRXEVUAGHHNHE-CYBMUJFWSA-N 1 2 391.313 2.105 20 30 GEEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592753073 532459582 /nfs/dbraw/zinc/45/95/82/532459582.db2.gz RVIJWNKRKZFWNN-LBPRGKRZSA-N 1 2 388.269 2.158 20 30 GEEDLO CCn1cc[nH+]c1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592800891 532465711 /nfs/dbraw/zinc/46/57/11/532465711.db2.gz DHEGGKOCBSAPCC-UHFFFAOYSA-N 1 2 388.269 2.290 20 30 GEEDLO N#Cc1ccc(OCC(=O)NCCCCn2cc[nH+]c2)cc1Br ZINC000562519864 532469503 /nfs/dbraw/zinc/46/95/03/532469503.db2.gz RMDHVGIPJRRGFD-UHFFFAOYSA-N 1 2 377.242 2.493 20 30 GEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593153751 532471239 /nfs/dbraw/zinc/47/12/39/532471239.db2.gz UNAMNTBUNHHDSV-SUMWQHHRSA-N 1 2 392.297 2.185 20 30 GEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000374607565 532513179 /nfs/dbraw/zinc/51/31/79/532513179.db2.gz FNIMLJUQCPZLRY-OAHLLOKOSA-N 1 2 380.857 2.069 20 30 GEEDLO CCOC1CC(CNc2ncc(Br)cc2C#N)([NH+]2CCOCC2)C1 ZINC000296779986 532541931 /nfs/dbraw/zinc/54/19/31/532541931.db2.gz NIGSPRHQZXRQQN-UHFFFAOYSA-N 1 2 395.301 2.398 20 30 GEEDLO NC(=[NH+]OCc1noc(Cc2ccc(Br)cc2)n1)[C@@H]1CCCO1 ZINC000283761840 532555208 /nfs/dbraw/zinc/55/52/08/532555208.db2.gz BAHSXKUQMDRTSS-LBPRGKRZSA-N 1 2 381.230 2.391 20 30 GEEDLO N#CC1(NC(=O)C[NH+]2CCN(c3ccc(Br)cc3)CC2)CCC1 ZINC000595723304 532571494 /nfs/dbraw/zinc/57/14/94/532571494.db2.gz VMZOHWANJCDVPW-UHFFFAOYSA-N 1 2 377.286 2.134 20 30 GEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528783972 532581231 /nfs/dbraw/zinc/58/12/31/532581231.db2.gz ILZDQOCWXSMQLL-ASTFEKQISA-N 1 2 377.535 2.421 20 30 GEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528783972 532581236 /nfs/dbraw/zinc/58/12/36/532581236.db2.gz ILZDQOCWXSMQLL-ASTFEKQISA-N 1 2 377.535 2.421 20 30 GEEDLO C=CC[N@@H+](Cc1cccc(I)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000284525416 532599305 /nfs/dbraw/zinc/59/93/05/532599305.db2.gz ZNMWQJFBYQGBKG-CQSZACIVSA-N 1 2 391.274 2.466 20 30 GEEDLO C=CC[N@H+](Cc1cccc(I)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000284525416 532599310 /nfs/dbraw/zinc/59/93/10/532599310.db2.gz ZNMWQJFBYQGBKG-CQSZACIVSA-N 1 2 391.274 2.466 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000488034035 532699137 /nfs/dbraw/zinc/69/91/37/532699137.db2.gz KRTWMDULFAWHIY-QGZVFWFLSA-N 1 2 384.929 2.064 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000488034035 532699145 /nfs/dbraw/zinc/69/91/45/532699145.db2.gz KRTWMDULFAWHIY-QGZVFWFLSA-N 1 2 384.929 2.064 20 30 GEEDLO C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000408453483 532719674 /nfs/dbraw/zinc/71/96/74/532719674.db2.gz RBNJFNIRDBHXFT-DOMZBBRYSA-N 1 2 378.270 2.113 20 30 GEEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000578483588 532735950 /nfs/dbraw/zinc/73/59/50/532735950.db2.gz LLMQXICNQPTSCK-CYBMUJFWSA-N 1 2 386.315 2.448 20 30 GEEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)C1=O ZINC000410416503 532739897 /nfs/dbraw/zinc/73/98/97/532739897.db2.gz ZBZTUQYFWRROAF-KRWDZBQOSA-N 1 2 396.304 2.493 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)NCC[NH+]1CCOCC1 ZINC000459687510 532797494 /nfs/dbraw/zinc/79/74/94/532797494.db2.gz GTDUKICSQUDBNW-UHFFFAOYSA-N 1 2 384.274 2.468 20 30 GEEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H](S(C)(=O)=O)C3)n2)C1 ZINC000328812629 532798082 /nfs/dbraw/zinc/79/80/82/532798082.db2.gz NBAWCUHAYQSWIL-JSGCOSHPSA-N 1 2 386.543 2.039 20 30 GEEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H](S(C)(=O)=O)C3)n2)C1 ZINC000328812629 532798085 /nfs/dbraw/zinc/79/80/85/532798085.db2.gz NBAWCUHAYQSWIL-JSGCOSHPSA-N 1 2 386.543 2.039 20 30 GEEDLO C[C@@H](C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[NH+]1CCSCC1 ZINC000328993373 532801190 /nfs/dbraw/zinc/80/11/90/532801190.db2.gz TTYDFTHESUKPQR-LBPRGKRZSA-N 1 2 387.502 2.391 20 30 GEEDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287620135 532803501 /nfs/dbraw/zinc/80/35/01/532803501.db2.gz FEOMKEPNXSOMKL-GFCCVEGCSA-N 1 2 386.315 2.082 20 30 GEEDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287620135 532803503 /nfs/dbraw/zinc/80/35/03/532803503.db2.gz FEOMKEPNXSOMKL-GFCCVEGCSA-N 1 2 386.315 2.082 20 30 GEEDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287620136 532803601 /nfs/dbraw/zinc/80/36/01/532803601.db2.gz FEOMKEPNXSOMKL-LBPRGKRZSA-N 1 2 386.315 2.082 20 30 GEEDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000287620136 532803603 /nfs/dbraw/zinc/80/36/03/532803603.db2.gz FEOMKEPNXSOMKL-LBPRGKRZSA-N 1 2 386.315 2.082 20 30 GEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)C[C@H]21 ZINC000329913039 532813195 /nfs/dbraw/zinc/81/31/95/532813195.db2.gz BMNJCSGXQVNULP-IIAWOOMASA-N 1 2 396.285 2.202 20 30 GEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCOc4ccc(Br)cc43)C[C@H]21 ZINC000329913039 532813198 /nfs/dbraw/zinc/81/31/98/532813198.db2.gz BMNJCSGXQVNULP-IIAWOOMASA-N 1 2 396.285 2.202 20 30 GEEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000735419954 598412136 /nfs/dbraw/zinc/41/21/36/598412136.db2.gz KVHOBWJYYPJCGD-UHFFFAOYSA-N 1 2 392.467 2.297 20 30 GEEDLO C=CC[N@@H+](CC(=O)NCc1cccc(C)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735416726 598701053 /nfs/dbraw/zinc/70/10/53/598701053.db2.gz PPOZCJMULHXPJG-UHFFFAOYSA-N 1 2 376.464 2.480 20 30 GEEDLO C=CC[N@H+](CC(=O)NCc1cccc(C)c1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735416726 598701055 /nfs/dbraw/zinc/70/10/55/598701055.db2.gz PPOZCJMULHXPJG-UHFFFAOYSA-N 1 2 376.464 2.480 20 30 GEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826387908 607491946 /nfs/dbraw/zinc/49/19/46/607491946.db2.gz YDUTVUDIBUOZOQ-UHFFFAOYSA-N 1 2 397.446 2.004 20 30 GEEDLO COc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1C#N ZINC000826195158 607493222 /nfs/dbraw/zinc/49/32/22/607493222.db2.gz JTKQBQJJCQJZBA-UHFFFAOYSA-N 1 2 393.426 2.208 20 30 GEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)c(F)c1 ZINC000822829631 606968926 /nfs/dbraw/zinc/96/89/26/606968926.db2.gz BBZCTNBSVHXSSJ-UHFFFAOYSA-N 1 2 381.390 2.339 20 30 GEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000822801606 606975381 /nfs/dbraw/zinc/97/53/81/606975381.db2.gz KSCCRAQDRZIQMH-LJQANCHMSA-N 1 2 377.427 2.388 20 30 GEEDLO N#CCCn1ncc2c1nc[nH+]c2N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826382319 608442318 /nfs/dbraw/zinc/44/23/18/608442318.db2.gz YKZJSIVCQKINQA-UHFFFAOYSA-N 1 2 398.434 2.214 20 30 GEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826385332 608460746 /nfs/dbraw/zinc/46/07/46/608460746.db2.gz HNUWALBYQZMNBQ-UHFFFAOYSA-N 1 2 385.431 2.466 20 30 GEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826385332 608460747 /nfs/dbraw/zinc/46/07/47/608460747.db2.gz HNUWALBYQZMNBQ-UHFFFAOYSA-N 1 2 385.431 2.466 20 30 GEEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1C ZINC000450585813 650067570 /nfs/dbraw/zinc/06/75/70/650067570.db2.gz GVTKICKQCLGTBE-LBPRGKRZSA-N 1 2 394.269 2.030 20 30 GEEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H]1C ZINC000450585813 650067571 /nfs/dbraw/zinc/06/75/71/650067571.db2.gz GVTKICKQCLGTBE-LBPRGKRZSA-N 1 2 394.269 2.030 20 30 GEEDLO CC(C)(CC#N)CS(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000451459594 650116947 /nfs/dbraw/zinc/11/69/47/650116947.db2.gz HKGLGHAABNTQGJ-QGZVFWFLSA-N 1 2 381.567 2.463 20 30 GEEDLO CC(C)(CC#N)CS(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000451459594 650116949 /nfs/dbraw/zinc/11/69/49/650116949.db2.gz HKGLGHAABNTQGJ-QGZVFWFLSA-N 1 2 381.567 2.463 20 30 GEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000478375596 650584667 /nfs/dbraw/zinc/58/46/67/650584667.db2.gz WEUOHRLUJYOFMZ-ZDUSSCGKSA-N 1 2 384.293 2.397 20 30 GEEDLO C#CC[NH+]1CCN(Cn2nc(-c3cc(Cl)ccc3OC)[nH]c2=S)CC1 ZINC000029885988 642470971 /nfs/dbraw/zinc/47/09/71/642470971.db2.gz KWEJLBPXNCLELZ-UHFFFAOYSA-N 1 2 377.901 2.104 20 30 GEEDLO CN(CCC#N)S(=O)(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000042168977 642544872 /nfs/dbraw/zinc/54/48/72/642544872.db2.gz ZEARNYFOROEBBQ-HNNXBMFYSA-N 1 2 388.896 2.296 20 30 GEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494254926 650802949 /nfs/dbraw/zinc/80/29/49/650802949.db2.gz WKBWJZRITWHAAN-LBPRGKRZSA-N 1 2 388.331 2.313 20 30 GEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494254926 650802952 /nfs/dbraw/zinc/80/29/52/650802952.db2.gz WKBWJZRITWHAAN-LBPRGKRZSA-N 1 2 388.331 2.313 20 30 GEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCS(C)(=O)=O)sc2C1 ZINC000102771878 643137778 /nfs/dbraw/zinc/13/77/78/643137778.db2.gz MRABZCQBJQSZQL-LBPRGKRZSA-N 1 2 383.539 2.050 20 30 GEEDLO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCS(C)(=O)=O)sc2C1 ZINC000102771878 643137783 /nfs/dbraw/zinc/13/77/83/643137783.db2.gz MRABZCQBJQSZQL-LBPRGKRZSA-N 1 2 383.539 2.050 20 30 GEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000180891487 644516670 /nfs/dbraw/zinc/51/66/70/644516670.db2.gz XDSKMZDGRSWNLF-ZDUSSCGKSA-N 1 2 391.313 2.105 20 30 GEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000245618827 645462501 /nfs/dbraw/zinc/46/25/01/645462501.db2.gz NDQSZPXUUWQDIV-DLBZAZTESA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000245618827 645462504 /nfs/dbraw/zinc/46/25/04/645462504.db2.gz NDQSZPXUUWQDIV-DLBZAZTESA-N 1 2 376.869 2.330 20 30 GEEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330379762 647333083 /nfs/dbraw/zinc/33/30/83/647333083.db2.gz TXSJHTJNCWUIME-RLCCDNCMSA-N 1 2 388.896 2.150 20 30 GEEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330379762 647333087 /nfs/dbraw/zinc/33/30/87/647333087.db2.gz TXSJHTJNCWUIME-RLCCDNCMSA-N 1 2 388.896 2.150 20 30 GEEDLO N#CCSc1cccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000370215198 647782656 /nfs/dbraw/zinc/78/26/56/647782656.db2.gz JBMPVRWNPTYXST-SFHVURJKSA-N 1 2 377.535 2.240 20 30 GEEDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000408458305 647955205 /nfs/dbraw/zinc/95/52/05/647955205.db2.gz FDZDEZMDBUDFRI-NXEZZACHSA-N 1 2 390.278 2.173 20 30 GEEDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000408458305 647955208 /nfs/dbraw/zinc/95/52/08/647955208.db2.gz FDZDEZMDBUDFRI-NXEZZACHSA-N 1 2 390.278 2.173 20 30 GEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(Br)c1C#N)c1ccco1 ZINC000550826107 651115290 /nfs/dbraw/zinc/11/52/90/651115290.db2.gz BVOVTBNNAYBVQQ-CYBMUJFWSA-N 1 2 398.282 2.495 20 30 GEEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000553542991 651180117 /nfs/dbraw/zinc/18/01/17/651180117.db2.gz OOALKQSNGNYHAG-AWEZNQCLSA-N 1 2 386.315 2.281 20 30 GEEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[N@H+]1C ZINC000553542991 651180118 /nfs/dbraw/zinc/18/01/18/651180118.db2.gz OOALKQSNGNYHAG-AWEZNQCLSA-N 1 2 386.315 2.281 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000730217431 651592131 /nfs/dbraw/zinc/59/21/31/651592131.db2.gz MJESUIZXJYVKBQ-UHFFFAOYSA-N 1 2 387.281 2.416 20 30 GEEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000611094138 651706323 /nfs/dbraw/zinc/70/63/23/651706323.db2.gz BPNUOIAHCWZEFQ-UHFFFAOYSA-N 1 2 383.279 2.149 20 30 GEEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000611094138 651706328 /nfs/dbraw/zinc/70/63/28/651706328.db2.gz BPNUOIAHCWZEFQ-UHFFFAOYSA-N 1 2 383.279 2.149 20 30 GEEDLO CC[C@@H](CC#N)[NH2+]CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000572056238 651870293 /nfs/dbraw/zinc/87/02/93/651870293.db2.gz QRUAHTZAKDRKMW-AWEZNQCLSA-N 1 2 395.301 2.436 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2)cc1Br ZINC000576094753 652096400 /nfs/dbraw/zinc/09/64/00/652096400.db2.gz BUFINRDBABAXGI-UHFFFAOYSA-N 1 2 383.271 2.276 20 30 GEEDLO C=CC[C@H]1CC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000625699244 652367926 /nfs/dbraw/zinc/36/79/26/652367926.db2.gz BTDLLYCVDLJVFT-JKSUJKDBSA-N 1 2 382.551 2.162 20 30 GEEDLO C=CC[C@H]1CC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000625699244 652367930 /nfs/dbraw/zinc/36/79/30/652367930.db2.gz BTDLLYCVDLJVFT-JKSUJKDBSA-N 1 2 382.551 2.162 20 30 GEEDLO Cc1ncc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)cc1C#N ZINC000581678116 652421710 /nfs/dbraw/zinc/42/17/10/652421710.db2.gz BCOHMKQZLLUTQP-QGZVFWFLSA-N 1 2 376.869 2.250 20 30 GEEDLO C[N@H+](CCC#N)C[C@H](O)CNCC(F)(F)c1ccc(Br)cc1 ZINC000598730424 652832130 /nfs/dbraw/zinc/83/21/30/652832130.db2.gz VHHDDAIIYKYONO-CQSZACIVSA-N 1 2 376.245 2.337 20 30 GEEDLO C[N@@H+](CCC#N)C[C@H](O)CNCC(F)(F)c1ccc(Br)cc1 ZINC000598730424 652832134 /nfs/dbraw/zinc/83/21/34/652832134.db2.gz VHHDDAIIYKYONO-CQSZACIVSA-N 1 2 376.245 2.337 20 30 GEEDLO COc1nc(N)nc(N2CCCC2)c1C=[NH+]Nc1ccnc(Br)c1 ZINC000769806499 653178916 /nfs/dbraw/zinc/17/89/16/653178916.db2.gz ZFIFUCWKFHCGCH-UHFFFAOYSA-N 1 2 392.261 2.271 20 30 GEEDLO Cn1c(N)nc(Cl)c1C=[NH+]Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000814800659 653639664 /nfs/dbraw/zinc/63/96/64/653639664.db2.gz HDXAAIGESNNSET-UHFFFAOYSA-N 1 2 381.767 2.395 20 30 GEEDLO CC#CC[NH2+]Cc1cn(C[C@](C)(O)c2ccc(Br)cc2F)nn1 ZINC000881424100 653730792 /nfs/dbraw/zinc/73/07/92/653730792.db2.gz JYAOHYHHWONFAP-INIZCTEOSA-N 1 2 381.249 2.200 20 30 GEEDLO C#C[C@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000820611376 653778005 /nfs/dbraw/zinc/77/80/05/653778005.db2.gz KEKBJGNIIABCDV-YOEHRIQHSA-N 1 2 394.313 2.486 20 30 GEEDLO CC(=NNCCCn1cc[nH+]c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000848417172 653974707 /nfs/dbraw/zinc/97/47/07/653974707.db2.gz NRTQUHGCUGFFIE-UHFFFAOYSA-N 1 2 390.296 2.241 20 30 GEEDLO Brc1n[nH]c(Br)c1C=NNCCCn1cc[nH+]c1 ZINC000848416950 653974795 /nfs/dbraw/zinc/97/47/95/653974795.db2.gz FJCHDVOVNQGNDI-UHFFFAOYSA-N 1 2 376.056 2.145 20 30 GEEDLO N#Cc1cc(Br)ccc1N1CC(C(=O)OCCn2cc[nH+]c2)C1 ZINC000829448132 654067543 /nfs/dbraw/zinc/06/75/43/654067543.db2.gz VKTMSKMIIVEFAO-UHFFFAOYSA-N 1 2 375.226 2.197 20 30 GEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000869581280 654106680 /nfs/dbraw/zinc/10/66/80/654106680.db2.gz QMUWCMGJOURTPH-UONOGXRCSA-N 1 2 376.881 2.286 20 30 GEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2sc(C)cc2Br)CC1 ZINC000921438623 654267453 /nfs/dbraw/zinc/26/74/53/654267453.db2.gz FZNQDVMGTCKTPJ-UHFFFAOYSA-N 1 2 377.329 2.195 20 30 GEEDLO COc1cc(C[NH2+]Cc2cn(C)nc2I)ccc1C#N ZINC000894796011 654499858 /nfs/dbraw/zinc/49/98/58/654499858.db2.gz XABNYDOLZYUPNN-UHFFFAOYSA-N 1 2 382.205 2.195 20 30 GEEDLO N#CCCNC(=O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932947147 654795870 /nfs/dbraw/zinc/79/58/70/654795870.db2.gz ZDFGDDAPJJOPFV-HTQZYQBOSA-N 1 2 379.251 2.119 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(C)C)ccc1C#N ZINC001164698651 719842397 /nfs/dbraw/zinc/84/23/97/719842397.db2.gz GMRQQCBXWLRTTE-DYESRHJHSA-N 1 2 386.496 2.309 20 30 GEEDLO Cc1cc(C#N)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C ZINC001164913296 721778609 /nfs/dbraw/zinc/77/86/09/721778609.db2.gz VUXPZWMYMMTWQR-JOCHJYFZSA-N 1 2 393.491 2.073 20 30 GEEDLO Cc1cc(C#N)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C ZINC001164913296 721778613 /nfs/dbraw/zinc/77/86/13/721778613.db2.gz VUXPZWMYMMTWQR-JOCHJYFZSA-N 1 2 393.491 2.073 20 30 GEEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000155137379 531660254 /nfs/dbraw/zinc/66/02/54/531660254.db2.gz CJDVLIDVYDCUJJ-UHFFFAOYSA-N 1 2 384.299 2.037 20 30 GEEDLO CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCc1[nH]cc[nH+]1 ZINC000172993927 531978788 /nfs/dbraw/zinc/97/87/88/531978788.db2.gz OXJXBCMOGJKLRH-UHFFFAOYSA-N 1 2 393.241 2.180 20 30 GEEDLO CCCNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120982258 532005960 /nfs/dbraw/zinc/00/59/60/532005960.db2.gz LCQLWCHPVMHKQM-INIZCTEOSA-N 1 2 379.302 2.158 20 30 GEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NCCOc2cccc(Cl)c2)cs1 ZINC000174120819 532050780 /nfs/dbraw/zinc/05/07/80/532050780.db2.gz JCGYRBIBBYUJES-UHFFFAOYSA-N 1 2 382.873 2.131 20 30 GEEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000179384426 532229862 /nfs/dbraw/zinc/22/98/62/532229862.db2.gz PFWATWXGHWGMPI-INIZCTEOSA-N 1 2 396.285 2.357 20 30 GEEDLO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000179384426 532229864 /nfs/dbraw/zinc/22/98/64/532229864.db2.gz PFWATWXGHWGMPI-INIZCTEOSA-N 1 2 396.285 2.357 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000180045071 532255021 /nfs/dbraw/zinc/25/50/21/532255021.db2.gz CCKNVQHTEQWPEJ-HNNXBMFYSA-N 1 2 383.901 2.087 20 30 GEEDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H](C)O1 ZINC000183447387 532325262 /nfs/dbraw/zinc/32/52/62/532325262.db2.gz OROLHCFAEVGQPS-CHWSQXEVSA-N 1 2 385.917 2.378 20 30 GEEDLO C[N@H+](CC(=O)NCC#N)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190516482 532356523 /nfs/dbraw/zinc/35/65/23/532356523.db2.gz NSVGNASZDAWJIE-AWEZNQCLSA-N 1 2 396.285 2.078 20 30 GEEDLO C[N@@H+](CC(=O)NCC#N)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190516482 532356524 /nfs/dbraw/zinc/35/65/24/532356524.db2.gz NSVGNASZDAWJIE-AWEZNQCLSA-N 1 2 396.285 2.078 20 30 GEEDLO N#Cc1nc(NCc2cccc(OCC[NH+]3CCOCC3)c2)sc1Cl ZINC000590575405 532378132 /nfs/dbraw/zinc/37/81/32/532378132.db2.gz YBEHNYMIMHXOFM-UHFFFAOYSA-N 1 2 378.885 2.991 20 30 GEEDLO N#C[C@@]1(F)CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000590859735 532390092 /nfs/dbraw/zinc/39/00/92/532390092.db2.gz TZGMPSKBAOACDH-HNNXBMFYSA-N 1 2 398.236 2.150 20 30 GEEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000295093319 532402254 /nfs/dbraw/zinc/40/22/54/532402254.db2.gz JOUHAFPYKQHRNZ-GFCCVEGCSA-N 1 2 394.269 2.030 20 30 GEEDLO C=C[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000465141132 532411359 /nfs/dbraw/zinc/41/13/59/532411359.db2.gz PNQNKHJAQDPQRP-ZDUSSCGKSA-N 1 2 384.293 2.397 20 30 GEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)c(F)cc1I ZINC000517571770 532420910 /nfs/dbraw/zinc/42/09/10/532420910.db2.gz BOHODRMSPPAMMO-CYBMUJFWSA-N 1 2 393.175 2.143 20 30 GEEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc(Br)cc(C#N)c1)CC2 ZINC000373310165 532441983 /nfs/dbraw/zinc/44/19/83/532441983.db2.gz JTNRZNZPGZHFPF-UHFFFAOYSA-N 1 2 381.255 2.030 20 30 GEEDLO C=CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246251090 532534893 /nfs/dbraw/zinc/53/48/93/532534893.db2.gz LHVJBIZYZMXYTC-UONOGXRCSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246251090 532534898 /nfs/dbraw/zinc/53/48/98/532534898.db2.gz LHVJBIZYZMXYTC-UONOGXRCSA-N 1 2 394.320 2.408 20 30 GEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)CCCC#N)c1ccc(Br)cc1 ZINC000595350453 532560056 /nfs/dbraw/zinc/56/00/56/532560056.db2.gz AMUFSOSFDWHZLM-CQSZACIVSA-N 1 2 397.298 2.495 20 30 GEEDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)C2 ZINC000376384683 532611136 /nfs/dbraw/zinc/61/11/36/532611136.db2.gz NKZWCPINUZLMJL-NSHDSACASA-N 1 2 395.282 2.119 20 30 GEEDLO CS(=O)(=O)Nc1cccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000597184058 532613244 /nfs/dbraw/zinc/61/32/44/532613244.db2.gz RTYWBFSYSUSYHV-UHFFFAOYSA-N 1 2 376.507 2.313 20 30 GEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ccc(Br)s2)c1=O ZINC000567318307 532649402 /nfs/dbraw/zinc/64/94/02/532649402.db2.gz CFOCNZPJZGDONZ-UHFFFAOYSA-N 1 2 394.294 2.424 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494289761 532715158 /nfs/dbraw/zinc/71/51/58/532715158.db2.gz FKNCXYJRZMDPIY-OAHLLOKOSA-N 1 2 388.331 2.359 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494289761 532715164 /nfs/dbraw/zinc/71/51/64/532715164.db2.gz FKNCXYJRZMDPIY-OAHLLOKOSA-N 1 2 388.331 2.359 20 30 GEEDLO CN1CCC[C@H]([NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O ZINC000541854025 532761035 /nfs/dbraw/zinc/76/10/35/532761035.db2.gz ONHRYTXVJGRNHV-IRXDYDNUSA-N 1 2 391.313 2.252 20 30 GEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1 ZINC000548457064 532791797 /nfs/dbraw/zinc/79/17/97/532791797.db2.gz CFSSTMPBMITHHB-JKSUJKDBSA-N 1 2 383.901 2.133 20 30 GEEDLO Cn1nc(C(F)(F)F)c(CN(CCC#N)CC[NH+]2CCOCC2)c1Cl ZINC000272916875 532819703 /nfs/dbraw/zinc/81/97/03/532819703.db2.gz SHFJKWKZVGOCSZ-UHFFFAOYSA-N 1 2 379.814 2.140 20 30 GEEDLO C[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C#N)([NH+](C)C)CC3)cc(Cl)c2O1 ZINC000274678932 532854185 /nfs/dbraw/zinc/85/41/85/532854185.db2.gz JLGNYZFSHNJUBG-GFCCVEGCSA-N 1 2 383.901 2.272 20 30 GEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000367864305 532928112 /nfs/dbraw/zinc/92/81/12/532928112.db2.gz AGABEUDBFWTLTH-OAHLLOKOSA-N 1 2 392.297 2.392 20 30 GEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000367864305 532928114 /nfs/dbraw/zinc/92/81/14/532928114.db2.gz AGABEUDBFWTLTH-OAHLLOKOSA-N 1 2 392.297 2.392 20 30 GEEDLO CCC(CC)N[NH+]=Cc1c(C)c(-c2nn[nH]n2)c2[nH]c3ccccc3n2c1=O ZINC000736345071 599010880 /nfs/dbraw/zinc/01/08/80/599010880.db2.gz DSUUVWOVCHQNMM-UHFFFAOYSA-N 1 2 378.440 2.381 20 30 GEEDLO N#Cc1cc(CN2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)ccc1F ZINC000822819252 606960551 /nfs/dbraw/zinc/96/05/51/606960551.db2.gz NNPMCNLWLHUYBP-UHFFFAOYSA-N 1 2 395.417 2.334 20 30 GEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3cccc(-c4nn[nH]n4)c3F)CC2)cc1 ZINC000826384880 608385640 /nfs/dbraw/zinc/38/56/40/608385640.db2.gz NFGPMZLYOWJBRX-UHFFFAOYSA-N 1 2 377.427 2.195 20 30 GEEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826384952 608464820 /nfs/dbraw/zinc/46/48/20/608464820.db2.gz RBBIBKJQVQPNAP-UHFFFAOYSA-N 1 2 399.458 2.144 20 30 GEEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)NCc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826384952 608464823 /nfs/dbraw/zinc/46/48/23/608464823.db2.gz RBBIBKJQVQPNAP-UHFFFAOYSA-N 1 2 399.458 2.144 20 30 GEEDLO C[C@H](CNC(=O)COc1ccc(C#N)c(Br)c1)Cn1cc[nH+]c1 ZINC000449958826 650056844 /nfs/dbraw/zinc/05/68/44/650056844.db2.gz IVJLTOUYVRDJFI-GFCCVEGCSA-N 1 2 377.242 2.349 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1OCC ZINC000459709107 650430483 /nfs/dbraw/zinc/43/04/83/650430483.db2.gz OXWMCUVZOQPNGQ-ZFWWWQNUSA-N 1 2 386.286 2.198 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)cc1OCC ZINC000459709107 650430485 /nfs/dbraw/zinc/43/04/85/650430485.db2.gz OXWMCUVZOQPNGQ-ZFWWWQNUSA-N 1 2 386.286 2.198 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000459709448 650430611 /nfs/dbraw/zinc/43/06/11/650430611.db2.gz KZKNRZBTWZYMJJ-CYBMUJFWSA-N 1 2 384.274 2.466 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000459709448 650430613 /nfs/dbraw/zinc/43/06/13/650430613.db2.gz KZKNRZBTWZYMJJ-CYBMUJFWSA-N 1 2 384.274 2.466 20 30 GEEDLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000528534797 650694851 /nfs/dbraw/zinc/69/48/51/650694851.db2.gz HOYCURUNQGERQS-UHFFFAOYSA-N 1 2 383.901 2.087 20 30 GEEDLO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCS(C)(=O)=O ZINC000102772439 643138014 /nfs/dbraw/zinc/13/80/14/643138014.db2.gz GMSWJJWRUBSVBM-UHFFFAOYSA-N 1 2 383.539 2.194 20 30 GEEDLO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCS(C)(=O)=O ZINC000102772439 643138020 /nfs/dbraw/zinc/13/80/20/643138020.db2.gz GMSWJJWRUBSVBM-UHFFFAOYSA-N 1 2 383.539 2.194 20 30 GEEDLO COc1cc(Br)cc(CN(CCC#N)CC[NH+]2CCOCC2)c1O ZINC000154750382 644059708 /nfs/dbraw/zinc/05/97/08/644059708.db2.gz BYSFRZMBMLJPDE-UHFFFAOYSA-N 1 2 398.301 2.211 20 30 GEEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](O)c1ccc(C#N)cc1 ZINC000156113737 644084678 /nfs/dbraw/zinc/08/46/78/644084678.db2.gz QMTTXWFZVWBHGY-HNNXBMFYSA-N 1 2 389.253 2.320 20 30 GEEDLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](O)c1ccc(C#N)cc1 ZINC000156113737 644084680 /nfs/dbraw/zinc/08/46/80/644084680.db2.gz QMTTXWFZVWBHGY-HNNXBMFYSA-N 1 2 389.253 2.320 20 30 GEEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000173855272 644362251 /nfs/dbraw/zinc/36/22/51/644362251.db2.gz UMUWWQNKELDRLO-LSDHHAIUSA-N 1 2 378.314 2.266 20 30 GEEDLO N#Cc1ccc(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c(Br)c1 ZINC000334033624 647488143 /nfs/dbraw/zinc/48/81/43/647488143.db2.gz MNWHVKQZBBHPGW-UHFFFAOYSA-N 1 2 398.326 2.321 20 30 GEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)C[C@H]1C ZINC000408116822 647928062 /nfs/dbraw/zinc/92/80/62/647928062.db2.gz ZUTDKVOEYUHADR-NEPJUHHUSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)C[C@H]1C ZINC000408116822 647928066 /nfs/dbraw/zinc/92/80/66/647928066.db2.gz ZUTDKVOEYUHADR-NEPJUHHUSA-N 1 2 386.315 2.424 20 30 GEEDLO C=CCSCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000552504110 651151131 /nfs/dbraw/zinc/15/11/31/651151131.db2.gz GZFBJCJZOIKDFR-JKSUJKDBSA-N 1 2 381.929 2.237 20 30 GEEDLO C=CCSCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000552504110 651151140 /nfs/dbraw/zinc/15/11/40/651151140.db2.gz GZFBJCJZOIKDFR-JKSUJKDBSA-N 1 2 381.929 2.237 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)NCCCCn1cc[nH+]c1 ZINC000556156003 651237398 /nfs/dbraw/zinc/23/73/98/651237398.db2.gz MWDJIFMNWPWUOJ-UHFFFAOYSA-N 1 2 377.242 2.493 20 30 GEEDLO N#Cc1cnn2cc(C[NH+]3CCN(c4ccc(Br)cn4)CC3)cnc12 ZINC000559273759 651294697 /nfs/dbraw/zinc/29/46/97/651294697.db2.gz WVNHHRMKBQYLAK-UHFFFAOYSA-N 1 2 398.268 2.081 20 30 GEEDLO CC#CC[C@H](CO)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000645429479 651603597 /nfs/dbraw/zinc/60/35/97/651603597.db2.gz RZNPQQXDYIDHJG-OAHLLOKOSA-N 1 2 393.285 2.021 20 30 GEEDLO C=CCn1cc(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)nn1 ZINC000648354494 651781749 /nfs/dbraw/zinc/78/17/49/651781749.db2.gz YCVFFPDPMCRXGZ-UHFFFAOYSA-N 1 2 389.257 2.155 20 30 GEEDLO O=C1Nc2c(cc(F)cc2Br)C1=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753927512 652420563 /nfs/dbraw/zinc/42/05/63/652420563.db2.gz CVRHQUVTCHEGPK-GHMZBOCLSA-N 1 2 380.221 2.104 20 30 GEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cccc(Br)c2C#N)CC1 ZINC000583785239 652497011 /nfs/dbraw/zinc/49/70/11/652497011.db2.gz UHLWLLAJPMVRCN-GFCCVEGCSA-N 1 2 377.286 2.110 20 30 GEEDLO N#CC[C@@]1(O)CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000592847370 652604812 /nfs/dbraw/zinc/60/48/12/652604812.db2.gz XPCWHNQKFYCENP-FUHWJXTLSA-N 1 2 392.297 2.463 20 30 GEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccc(Br)cc2)nn1 ZINC000640801664 653139893 /nfs/dbraw/zinc/13/98/93/653139893.db2.gz WABMTSBSEOLLIR-GFCCVEGCSA-N 1 2 376.258 2.353 20 30 GEEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)nn1 ZINC000640984305 653148561 /nfs/dbraw/zinc/14/85/61/653148561.db2.gz KFVQKKIXDWYGLV-UHFFFAOYSA-N 1 2 380.279 2.356 20 30 GEEDLO C#C[C@@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000836221781 653338990 /nfs/dbraw/zinc/33/89/90/653338990.db2.gz OQTBEJPLVQRPKY-CZUORRHYSA-N 1 2 380.286 2.143 20 30 GEEDLO O=S(=O)(NC1CC1)c1ccc(NNC2=C[C@@H](C(F)(F)F)OCC2)[nH+]c1 ZINC000814800041 653639690 /nfs/dbraw/zinc/63/96/90/653639690.db2.gz WIGRIAOZENNKTK-LBPRGKRZSA-N 1 2 378.376 2.032 20 30 GEEDLO C#CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000865825767 653776444 /nfs/dbraw/zinc/77/64/44/653776444.db2.gz GJYIIQVBOVOEAQ-GDBMZVCRSA-N 1 2 390.237 2.191 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000884123189 653865018 /nfs/dbraw/zinc/86/50/18/653865018.db2.gz LWSISCUWNGNEPN-AWEZNQCLSA-N 1 2 383.286 2.333 20 30 GEEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(C)[nH+]c(C)c2)s1 ZINC000823735509 653878061 /nfs/dbraw/zinc/87/80/61/653878061.db2.gz YEUGVIFMURXAJF-UHFFFAOYSA-N 1 2 379.507 2.083 20 30 GEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795825530 653968930 /nfs/dbraw/zinc/96/89/30/653968930.db2.gz UFZLZIBHHZLHDO-UHFFFAOYSA-N 1 2 377.825 2.316 20 30 GEEDLO C/C(=C\C(=O)N[C@@H](C#N)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000900699174 654076780 /nfs/dbraw/zinc/07/67/80/654076780.db2.gz KPJUYLJKVCNCJL-ISBHARSQSA-N 1 2 378.270 2.408 20 30 GEEDLO CC#CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000801299514 654190700 /nfs/dbraw/zinc/19/07/00/654190700.db2.gz FGJVXUDSIFHSBV-OAHLLOKOSA-N 1 2 382.245 2.395 20 30 GEEDLO CC#CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000801299514 654190703 /nfs/dbraw/zinc/19/07/03/654190703.db2.gz FGJVXUDSIFHSBV-OAHLLOKOSA-N 1 2 382.245 2.395 20 30 GEEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccsc2Br)C1 ZINC000919874816 654194676 /nfs/dbraw/zinc/19/46/76/654194676.db2.gz GJSHDOJPWRZBKL-GFCCVEGCSA-N 1 2 377.329 2.028 20 30 GEEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ccsc2Br)C1 ZINC000919874816 654194679 /nfs/dbraw/zinc/19/46/79/654194679.db2.gz GJSHDOJPWRZBKL-GFCCVEGCSA-N 1 2 377.329 2.028 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2ccc(Br)cc2C)no1 ZINC000904105200 654302204 /nfs/dbraw/zinc/30/22/04/654302204.db2.gz BDUXWFQGGGNSGO-ZDUSSCGKSA-N 1 2 380.242 2.330 20 30 GEEDLO C#CCOCCC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000804269517 654304490 /nfs/dbraw/zinc/30/44/90/654304490.db2.gz XSOXLFNTEJBARH-UHFFFAOYSA-N 1 2 380.242 2.307 20 30 GEEDLO Brc1cnn(N=Cc2ccc(OCC[NH+]3CCOCC3)cc2)c1 ZINC000872359535 654326405 /nfs/dbraw/zinc/32/64/05/654326405.db2.gz IFIHRCRPXICTPL-UHFFFAOYSA-N 1 2 379.258 2.239 20 30 GEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000856203896 654469828 /nfs/dbraw/zinc/46/98/28/654469828.db2.gz TYNPPNUFGAWESN-ZDUSSCGKSA-N 1 2 394.216 2.204 20 30 GEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000923574037 654469758 /nfs/dbraw/zinc/46/97/58/654469758.db2.gz COZWCQVOTVBNNE-CYBMUJFWSA-N 1 2 388.265 2.118 20 30 GEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2cc(I)ccc2[nH]1 ZINC000856203896 654469835 /nfs/dbraw/zinc/46/98/35/654469835.db2.gz TYNPPNUFGAWESN-ZDUSSCGKSA-N 1 2 394.216 2.204 20 30 GEEDLO COc1ccc(C#N)cc1C[N@@H+]1CCn2ncc(I)c2C1 ZINC000933109301 654802048 /nfs/dbraw/zinc/80/20/48/654802048.db2.gz AXTQPDIAXWXQMJ-UHFFFAOYSA-N 1 2 394.216 2.384 20 30 GEEDLO COc1ccc(C#N)cc1C[N@H+]1CCn2ncc(I)c2C1 ZINC000933109301 654802051 /nfs/dbraw/zinc/80/20/51/654802051.db2.gz AXTQPDIAXWXQMJ-UHFFFAOYSA-N 1 2 394.216 2.384 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(c1C#N)CCCC2 ZINC001164703731 719879499 /nfs/dbraw/zinc/87/94/99/719879499.db2.gz UDUTXUCALNDLAO-HTAPYJJXSA-N 1 2 398.507 2.065 20 30 GEEDLO N#Cc1cc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916232 721791188 /nfs/dbraw/zinc/79/11/88/721791188.db2.gz OXENFACXUDKCJU-FQEVSTJZSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1cc(Cl)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916232 721791190 /nfs/dbraw/zinc/79/11/90/721791190.db2.gz OXENFACXUDKCJU-FQEVSTJZSA-N 1 2 399.882 2.109 20 30 GEEDLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2cccc(Cl)c2C#N)C[C@H](C)O1 ZINC000156300845 531726723 /nfs/dbraw/zinc/72/67/23/531726723.db2.gz ZXJPCZPXTKMYJB-STQMWFEESA-N 1 2 385.917 2.378 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000171748010 531914612 /nfs/dbraw/zinc/91/46/12/531914612.db2.gz LHVJBIZYZMXYTC-KGLIPLIRSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000171748010 531914621 /nfs/dbraw/zinc/91/46/21/531914621.db2.gz LHVJBIZYZMXYTC-KGLIPLIRSA-N 1 2 394.320 2.408 20 30 GEEDLO C[C@@H](C(=O)N(C)C)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120995280 532008102 /nfs/dbraw/zinc/00/81/02/532008102.db2.gz QTGZLAYTYLEQDC-BBRMVZONSA-N 1 2 379.302 2.108 20 30 GEEDLO C=CCNC(=O)CN1CC[NH+](C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000122248640 532063373 /nfs/dbraw/zinc/06/33/73/532063373.db2.gz FSSGZSKEXFQRCE-OAHLLOKOSA-N 1 2 380.330 2.472 20 30 GEEDLO C=CCNC(=O)C[NH+]1CCN(C[C@@H](C)c2cccc(Br)c2)CC1 ZINC000122248640 532063381 /nfs/dbraw/zinc/06/33/81/532063381.db2.gz FSSGZSKEXFQRCE-OAHLLOKOSA-N 1 2 380.330 2.472 20 30 GEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000123352762 532098870 /nfs/dbraw/zinc/09/88/70/532098870.db2.gz KVHCEHOPLXBUKD-INIZCTEOSA-N 1 2 383.901 2.087 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000562690930 532477630 /nfs/dbraw/zinc/47/76/30/532477630.db2.gz CFHCGZWXABDNRG-JTQLQIEISA-N 1 2 375.226 2.096 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000562690930 532477636 /nfs/dbraw/zinc/47/76/36/532477636.db2.gz CFHCGZWXABDNRG-JTQLQIEISA-N 1 2 375.226 2.096 20 30 GEEDLO O=C(NCCOCC(F)(F)C(F)F)NCc1[nH+]ccn1CC(F)(F)F ZINC000433605463 532573360 /nfs/dbraw/zinc/57/33/60/532573360.db2.gz VZNDFHDMSOCDFT-UHFFFAOYSA-N 1 2 380.264 2.162 20 30 GEEDLO CC[N@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)C#N ZINC000595811259 532575150 /nfs/dbraw/zinc/57/51/50/532575150.db2.gz AESIPTRAZDFITI-GFCCVEGCSA-N 1 2 386.905 2.153 20 30 GEEDLO CC[N@@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@H](C)C#N ZINC000595811259 532575154 /nfs/dbraw/zinc/57/51/54/532575154.db2.gz AESIPTRAZDFITI-GFCCVEGCSA-N 1 2 386.905 2.153 20 30 GEEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000297858863 532610311 /nfs/dbraw/zinc/61/03/11/532610311.db2.gz LUBJKEQAIRIZOG-ZDUSSCGKSA-N 1 2 386.315 2.448 20 30 GEEDLO C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[N@@H+]1CCc2sccc2C1 ZINC000298298266 532640214 /nfs/dbraw/zinc/64/02/14/532640214.db2.gz USHLGPSQFAGACK-CQSZACIVSA-N 1 2 375.519 2.486 20 30 GEEDLO C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC000298298266 532640222 /nfs/dbraw/zinc/64/02/22/532640222.db2.gz USHLGPSQFAGACK-CQSZACIVSA-N 1 2 375.519 2.486 20 30 GEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(-n2cc(Br)cn2)cc1 ZINC000572606111 532706384 /nfs/dbraw/zinc/70/63/84/532706384.db2.gz FLEJSFGZAGOUME-INIZCTEOSA-N 1 2 376.258 2.208 20 30 GEEDLO COCC#CCN(CC[NH+]1CCOCC1)Cc1sccc1Br ZINC000672573965 532727326 /nfs/dbraw/zinc/72/73/26/532727326.db2.gz AQSSWIMNHRGHHM-UHFFFAOYSA-N 1 2 387.343 2.295 20 30 GEEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3ccc(Br)s3)CC2)C1=O ZINC000410313439 532737487 /nfs/dbraw/zinc/73/74/87/532737487.db2.gz PJGVDXSEJATAOF-AWEZNQCLSA-N 1 2 384.343 2.415 20 30 GEEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000509432913 532769604 /nfs/dbraw/zinc/76/96/04/532769604.db2.gz VRVCFLSSLQPJDD-SWLSCSKDSA-N 1 2 381.889 2.231 20 30 GEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@H]21 ZINC000287056591 532780777 /nfs/dbraw/zinc/78/07/77/532780777.db2.gz AKRKCLXUEYSQFG-HUUCEWRRSA-N 1 2 379.258 2.258 20 30 GEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@H]21 ZINC000287056591 532780781 /nfs/dbraw/zinc/78/07/81/532780781.db2.gz AKRKCLXUEYSQFG-HUUCEWRRSA-N 1 2 379.258 2.258 20 30 GEEDLO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@@H]21 ZINC000287056594 532780797 /nfs/dbraw/zinc/78/07/97/532780797.db2.gz AKRKCLXUEYSQFG-LSDHHAIUSA-N 1 2 379.258 2.258 20 30 GEEDLO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@@H]21 ZINC000287056594 532780801 /nfs/dbraw/zinc/78/08/01/532780801.db2.gz AKRKCLXUEYSQFG-LSDHHAIUSA-N 1 2 379.258 2.258 20 30 GEEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H](S(C)(=O)=O)C3)n2)C1 ZINC000328812630 532798158 /nfs/dbraw/zinc/79/81/58/532798158.db2.gz NBAWCUHAYQSWIL-OCCSQVGLSA-N 1 2 386.543 2.039 20 30 GEEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H](S(C)(=O)=O)C3)n2)C1 ZINC000328812630 532798161 /nfs/dbraw/zinc/79/81/61/532798161.db2.gz NBAWCUHAYQSWIL-OCCSQVGLSA-N 1 2 386.543 2.039 20 30 GEEDLO O=C(NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1cncc(Br)c1 ZINC000328925291 532800253 /nfs/dbraw/zinc/80/02/53/532800253.db2.gz ODAYXCXEQKSOIF-UHFFFAOYSA-N 1 2 395.301 2.093 20 30 GEEDLO COc1ccccc1Nc1nnc(SC[C@@H](O)C[N@H+](C)CCC#N)s1 ZINC000414104384 532819007 /nfs/dbraw/zinc/81/90/07/532819007.db2.gz YUOKHRSFGRYPPH-LBPRGKRZSA-N 1 2 379.511 2.589 20 30 GEEDLO COc1ccccc1Nc1nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)s1 ZINC000414104384 532819008 /nfs/dbraw/zinc/81/90/08/532819008.db2.gz YUOKHRSFGRYPPH-LBPRGKRZSA-N 1 2 379.511 2.589 20 30 GEEDLO CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000330507423 532820273 /nfs/dbraw/zinc/82/02/73/532820273.db2.gz MWXKFZYKXKTEGY-ZDUSSCGKSA-N 1 2 397.317 2.398 20 30 GEEDLO COc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc(OC)c1Br ZINC000330679508 532824990 /nfs/dbraw/zinc/82/49/90/532824990.db2.gz DPYMQMZPTSIGDV-LLVKDONJSA-N 1 2 388.262 2.123 20 30 GEEDLO COc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc(OC)c1Br ZINC000330679508 532824993 /nfs/dbraw/zinc/82/49/93/532824993.db2.gz DPYMQMZPTSIGDV-LLVKDONJSA-N 1 2 388.262 2.123 20 30 GEEDLO C[C@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)Cn1cc[nH+]c1 ZINC000414470080 532830407 /nfs/dbraw/zinc/83/04/07/532830407.db2.gz NRJIVDCJVVPUQM-LLVKDONJSA-N 1 2 383.271 2.132 20 30 GEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000360888565 532891222 /nfs/dbraw/zinc/89/12/22/532891222.db2.gz OCMGRFRBLHGSJH-LBPRGKRZSA-N 1 2 375.479 2.365 20 30 GEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000360888565 532891225 /nfs/dbraw/zinc/89/12/25/532891225.db2.gz OCMGRFRBLHGSJH-LBPRGKRZSA-N 1 2 375.479 2.365 20 30 GEEDLO CN(C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1)S(C)(=O)=O ZINC000276990689 532905344 /nfs/dbraw/zinc/90/53/44/532905344.db2.gz ZXAZBXLUDSKRDJ-UHFFFAOYSA-N 1 2 386.315 2.177 20 30 GEEDLO COc1cc(-c2nn[nH]n2)ccc1OCCO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000737033562 598978035 /nfs/dbraw/zinc/97/80/35/598978035.db2.gz XEPHEMOCFKZAHM-UHFFFAOYSA-N 1 2 388.815 2.245 20 30 GEEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)c(F)c1 ZINC000737718669 598256903 /nfs/dbraw/zinc/25/69/03/598256903.db2.gz OMWZOSYASGETQS-UHFFFAOYSA-N 1 2 381.390 2.339 20 30 GEEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1=S ZINC000825711280 601891053 /nfs/dbraw/zinc/89/10/53/601891053.db2.gz XFQAAHUOPXQAAR-LJQANCHMSA-N 1 2 393.557 2.383 20 30 GEEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)c1=S ZINC000825711280 601891055 /nfs/dbraw/zinc/89/10/55/601891055.db2.gz XFQAAHUOPXQAAR-LJQANCHMSA-N 1 2 393.557 2.383 20 30 GEEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c(-c2nn[nH]n2)c1C ZINC000822558282 606108309 /nfs/dbraw/zinc/10/83/09/606108309.db2.gz NVOAZIADRGUHFG-UHFFFAOYSA-N 1 2 381.465 2.487 20 30 GEEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c(-c2nn[nH]n2)c1C ZINC000822558282 606108310 /nfs/dbraw/zinc/10/83/10/606108310.db2.gz NVOAZIADRGUHFG-UHFFFAOYSA-N 1 2 381.465 2.487 20 30 GEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445887917 649966030 /nfs/dbraw/zinc/96/60/30/649966030.db2.gz SNOAIJISKUCPDQ-ZDUSSCGKSA-N 1 2 382.258 2.216 20 30 GEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445887917 649966034 /nfs/dbraw/zinc/96/60/34/649966034.db2.gz SNOAIJISKUCPDQ-ZDUSSCGKSA-N 1 2 382.258 2.216 20 30 GEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000822825452 606521467 /nfs/dbraw/zinc/52/14/67/606521467.db2.gz GKAMXTBQBFASSO-UHFFFAOYSA-N 1 2 393.476 2.148 20 30 GEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)s3)CC2)cc1 ZINC000822825452 606521468 /nfs/dbraw/zinc/52/14/68/606521468.db2.gz GKAMXTBQBFASSO-UHFFFAOYSA-N 1 2 393.476 2.148 20 30 GEEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1C#N ZINC000826195406 608067468 /nfs/dbraw/zinc/06/74/68/608067468.db2.gz SLRLRUCNUWTZFN-IBGZPJMESA-N 1 2 376.420 2.320 20 30 GEEDLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1C#N ZINC000826195406 608067469 /nfs/dbraw/zinc/06/74/69/608067469.db2.gz SLRLRUCNUWTZFN-IBGZPJMESA-N 1 2 376.420 2.320 20 30 GEEDLO C#CCOc1ccccc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000823861901 608637442 /nfs/dbraw/zinc/63/74/42/608637442.db2.gz SNLAQVZAEZSJSL-UHFFFAOYSA-N 1 2 392.438 2.340 20 30 GEEDLO C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H](C)O1 ZINC000451013285 650080186 /nfs/dbraw/zinc/08/01/86/650080186.db2.gz GCLSVPUZDFNISM-KBPBESRZSA-N 1 2 385.917 2.184 20 30 GEEDLO N#Cc1cccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c1Br ZINC000451812677 650144434 /nfs/dbraw/zinc/14/44/34/650144434.db2.gz PESWERUKKWIMHZ-AWEZNQCLSA-N 1 2 378.270 2.258 20 30 GEEDLO N#Cc1ccc([C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C(N)=O)cc1 ZINC000115598339 643443893 /nfs/dbraw/zinc/44/38/93/643443893.db2.gz OOMWBGRLFVRYDD-OAHLLOKOSA-N 1 2 388.221 2.366 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)c1ccccc1Br ZINC000154848463 644060360 /nfs/dbraw/zinc/06/03/60/644060360.db2.gz UKRIBDGVMNHQLB-KRWDZBQOSA-N 1 2 382.302 2.030 20 30 GEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161839821 644222043 /nfs/dbraw/zinc/22/20/43/644222043.db2.gz CTXNHYUAWSLKEC-ZDUSSCGKSA-N 1 2 384.293 2.397 20 30 GEEDLO C=CC[C@H](CO)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000545448301 650974954 /nfs/dbraw/zinc/97/49/54/650974954.db2.gz OHRUNEPRLGJAEK-ZDUSSCGKSA-N 1 2 395.301 2.432 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)c1ccc(Br)cc1 ZINC000267108666 645882961 /nfs/dbraw/zinc/88/29/61/645882961.db2.gz WRXDLUKWVKKCMA-KRWDZBQOSA-N 1 2 382.302 2.030 20 30 GEEDLO C[C@H](CNC(=O)N1CCOc2ccc(Br)cc2C1)[NH+]1CCOCC1 ZINC000328759581 647312608 /nfs/dbraw/zinc/31/26/08/647312608.db2.gz WUYSMSPVVKKVKL-CYBMUJFWSA-N 1 2 398.301 2.278 20 30 GEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000365491636 647674312 /nfs/dbraw/zinc/67/43/12/647674312.db2.gz CVASASDLUIWFFF-LBPRGKRZSA-N 1 2 395.282 2.232 20 30 GEEDLO CC(C)[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[N@@H+]1C ZINC000416468806 648135850 /nfs/dbraw/zinc/13/58/50/648135850.db2.gz HFFQGJYJPMIODH-CQSZACIVSA-N 1 2 386.315 2.281 20 30 GEEDLO CC(C)[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[N@H+]1C ZINC000416468806 648135852 /nfs/dbraw/zinc/13/58/52/648135852.db2.gz HFFQGJYJPMIODH-CQSZACIVSA-N 1 2 386.315 2.281 20 30 GEEDLO C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174400 651712564 /nfs/dbraw/zinc/71/25/64/651712564.db2.gz DKBSPKPRLQWIBZ-HNNXBMFYSA-N 1 2 393.329 2.327 20 30 GEEDLO CC[C@H](CC#N)[NH2+]CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000572056239 651870423 /nfs/dbraw/zinc/87/04/23/651870423.db2.gz QRUAHTZAKDRKMW-CQSZACIVSA-N 1 2 395.301 2.436 20 30 GEEDLO C#CCSCCNC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000740071357 651913376 /nfs/dbraw/zinc/91/33/76/651913376.db2.gz INNPVEJDTGMCHH-UHFFFAOYSA-N 1 2 381.929 2.412 20 30 GEEDLO C#CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000746258919 652098641 /nfs/dbraw/zinc/09/86/41/652098641.db2.gz GBCFLINZRRURHI-NVXWUHKLSA-N 1 2 393.281 2.065 20 30 GEEDLO C#CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000746258919 652098648 /nfs/dbraw/zinc/09/86/48/652098648.db2.gz GBCFLINZRRURHI-NVXWUHKLSA-N 1 2 393.281 2.065 20 30 GEEDLO C[C@@H](CNS(=O)(=O)c1cccc(F)c1C#N)[N@@H+]1CCc2sccc2C1 ZINC000750996645 652318597 /nfs/dbraw/zinc/31/85/97/652318597.db2.gz PUQXDECQLFIQLO-LBPRGKRZSA-N 1 2 379.482 2.484 20 30 GEEDLO C[C@@H](CNS(=O)(=O)c1cccc(F)c1C#N)[N@H+]1CCc2sccc2C1 ZINC000750996645 652318601 /nfs/dbraw/zinc/31/86/01/652318601.db2.gz PUQXDECQLFIQLO-LBPRGKRZSA-N 1 2 379.482 2.484 20 30 GEEDLO C=CC[C@@H]1CC[N@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000625699242 652368082 /nfs/dbraw/zinc/36/80/82/652368082.db2.gz BTDLLYCVDLJVFT-HZPDHXFCSA-N 1 2 382.551 2.162 20 30 GEEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000625699242 652368085 /nfs/dbraw/zinc/36/80/85/652368085.db2.gz BTDLLYCVDLJVFT-HZPDHXFCSA-N 1 2 382.551 2.162 20 30 GEEDLO N#Cc1c(Br)cccc1NCCCCN1CC[NH+](CCO)CC1 ZINC000581104180 652401849 /nfs/dbraw/zinc/40/18/49/652401849.db2.gz KVHSJLCEIVAFPN-UHFFFAOYSA-N 1 2 381.318 2.123 20 30 GEEDLO C=CCOc1c(Br)cc(C[NH+]2CCC(O)(CO)CC2)cc1OC ZINC000668550978 652647163 /nfs/dbraw/zinc/64/71/63/652647163.db2.gz GLIWIKXICJGCMR-UHFFFAOYSA-N 1 2 386.286 2.342 20 30 GEEDLO C=CC[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000639531699 652940987 /nfs/dbraw/zinc/94/09/87/652940987.db2.gz OCILOHGPPVKDEM-HUUCEWRRSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000639531699 652940992 /nfs/dbraw/zinc/94/09/92/652940992.db2.gz OCILOHGPPVKDEM-HUUCEWRRSA-N 1 2 394.320 2.408 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602884203 653211847 /nfs/dbraw/zinc/21/18/47/653211847.db2.gz WDMSZFXYOZLEBB-YOEHRIQHSA-N 1 2 395.301 2.352 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602884203 653211852 /nfs/dbraw/zinc/21/18/52/653211852.db2.gz WDMSZFXYOZLEBB-YOEHRIQHSA-N 1 2 395.301 2.352 20 30 GEEDLO C[N@H+](CCOCc1ccc(C#N)cc1)Cn1cc(I)cn1 ZINC000808235675 653223602 /nfs/dbraw/zinc/22/36/02/653223602.db2.gz BHFQVDWJIFKARM-UHFFFAOYSA-N 1 2 396.232 2.465 20 30 GEEDLO C[N@@H+](CCOCc1ccc(C#N)cc1)Cn1cc(I)cn1 ZINC000808235675 653223603 /nfs/dbraw/zinc/22/36/03/653223603.db2.gz BHFQVDWJIFKARM-UHFFFAOYSA-N 1 2 396.232 2.465 20 30 GEEDLO C=C[C@](C)(O)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000811378369 653387827 /nfs/dbraw/zinc/38/78/27/653387827.db2.gz LUFQAKWZAUSVBI-KRWDZBQOSA-N 1 2 382.302 2.467 20 30 GEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000778435544 653444435 /nfs/dbraw/zinc/44/44/35/653444435.db2.gz KUEWMKYRESPXFP-CVEARBPZSA-N 1 2 380.275 2.313 20 30 GEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000778435544 653444437 /nfs/dbraw/zinc/44/44/37/653444437.db2.gz KUEWMKYRESPXFP-CVEARBPZSA-N 1 2 380.275 2.313 20 30 GEEDLO N#Cc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782949292 653672553 /nfs/dbraw/zinc/67/25/53/653672553.db2.gz SQSAJGHCFDDZBZ-UHFFFAOYSA-N 1 2 387.237 2.274 20 30 GEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2ccccc2Br)n1 ZINC000789323111 653771696 /nfs/dbraw/zinc/77/16/96/653771696.db2.gz WGHIVBOUSPEQSH-GOSISDBHSA-N 1 2 392.297 2.461 20 30 GEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2ccccc2Br)n1 ZINC000789323111 653771698 /nfs/dbraw/zinc/77/16/98/653771698.db2.gz WGHIVBOUSPEQSH-GOSISDBHSA-N 1 2 392.297 2.461 20 30 GEEDLO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc(C#N)c1O ZINC000866280858 653789801 /nfs/dbraw/zinc/78/98/01/653789801.db2.gz DKBIAJHNOYBHRQ-SNVBAGLBSA-N 1 2 377.388 2.228 20 30 GEEDLO O=C1[C@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)CCCN1O ZINC000895159345 653820998 /nfs/dbraw/zinc/82/09/98/653820998.db2.gz UBGRLMUJTFMYCX-SNVBAGLBSA-N 1 2 394.063 2.387 20 30 GEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883099330 653826778 /nfs/dbraw/zinc/82/67/78/653826778.db2.gz RBPBYUMXDRSAHK-JTQLQIEISA-N 1 2 375.230 2.471 20 30 GEEDLO C#CCC1(O)CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000895670541 653845257 /nfs/dbraw/zinc/84/52/57/653845257.db2.gz UNHRCWMRNYULMO-UHFFFAOYSA-N 1 2 375.270 2.380 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC000884152336 653866025 /nfs/dbraw/zinc/86/60/25/653866025.db2.gz IMGLOPZFLQVHTR-HNNXBMFYSA-N 1 2 395.297 2.386 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000884206997 653867974 /nfs/dbraw/zinc/86/79/74/653867974.db2.gz KFXWSOYVRWAWAV-AWEZNQCLSA-N 1 2 383.901 2.278 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC2(CC2)c2ccc(Br)cc21 ZINC000884432378 653876571 /nfs/dbraw/zinc/87/65/71/653876571.db2.gz CRXCUJITZMILBS-ZDUSSCGKSA-N 1 2 379.254 2.274 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2cc(C)cc(Br)c2C1 ZINC000884450918 653877105 /nfs/dbraw/zinc/87/71/05/653877105.db2.gz XQHCCXVOXZUYEA-HNNXBMFYSA-N 1 2 381.270 2.089 20 30 GEEDLO N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900576621 654070831 /nfs/dbraw/zinc/07/08/31/654070831.db2.gz FSEZQWAQIIUKJH-INIZCTEOSA-N 1 2 388.269 2.124 20 30 GEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(OC)c(Br)c3)n2C)CC1 ZINC000800728733 654157183 /nfs/dbraw/zinc/15/71/83/654157183.db2.gz AJKIGHHPRWFWSS-UHFFFAOYSA-N 1 2 390.285 2.008 20 30 GEEDLO CC#CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000801299513 654190646 /nfs/dbraw/zinc/19/06/46/654190646.db2.gz FGJVXUDSIFHSBV-HNNXBMFYSA-N 1 2 382.245 2.395 20 30 GEEDLO CC#CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000801299513 654190651 /nfs/dbraw/zinc/19/06/51/654190651.db2.gz FGJVXUDSIFHSBV-HNNXBMFYSA-N 1 2 382.245 2.395 20 30 GEEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000852361034 654235682 /nfs/dbraw/zinc/23/56/82/654235682.db2.gz REWSIBNLHIYRFR-DLBZAZTESA-N 1 2 392.297 2.240 20 30 GEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000921438241 654267546 /nfs/dbraw/zinc/26/75/46/654267546.db2.gz VPHTYPQEVAQLEA-UHFFFAOYSA-N 1 2 391.718 2.478 20 30 GEEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C=NNc1[nH+]ccn1C ZINC000834976799 654356429 /nfs/dbraw/zinc/35/64/29/654356429.db2.gz OKILKPXEGGPOGC-JTQLQIEISA-N 1 2 380.246 2.142 20 30 GEEDLO C#CCOc1ccccc1C[NH2+]Cc1cn(C)nc1I ZINC000894273061 654461495 /nfs/dbraw/zinc/46/14/95/654461495.db2.gz JLAMCGQEJZQYLW-UHFFFAOYSA-N 1 2 381.217 2.327 20 30 GEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000923555014 654468475 /nfs/dbraw/zinc/46/84/75/654468475.db2.gz MGVUWDFSOPWFTK-CYBMUJFWSA-N 1 2 389.249 2.383 20 30 GEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000923555014 654468478 /nfs/dbraw/zinc/46/84/78/654468478.db2.gz MGVUWDFSOPWFTK-CYBMUJFWSA-N 1 2 389.249 2.383 20 30 GEEDLO N#Cc1sccc1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000923563803 654469316 /nfs/dbraw/zinc/46/93/16/654469316.db2.gz OXODDCOTHLORJF-UHFFFAOYSA-N 1 2 375.475 2.182 20 30 GEEDLO N#Cc1cc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912000 721778953 /nfs/dbraw/zinc/77/89/53/721778953.db2.gz JBSVVJSBJJLNKN-FQEVSTJZSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1cc(Cl)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912000 721778956 /nfs/dbraw/zinc/77/89/56/721778956.db2.gz JBSVVJSBJJLNKN-FQEVSTJZSA-N 1 2 399.882 2.109 20 30 GEEDLO Cc1cc(C#N)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C ZINC001164913297 721779031 /nfs/dbraw/zinc/77/90/31/721779031.db2.gz VUXPZWMYMMTWQR-QFIPXVFZSA-N 1 2 393.491 2.073 20 30 GEEDLO Cc1cc(C#N)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C ZINC001164913297 721779039 /nfs/dbraw/zinc/77/90/39/721779039.db2.gz VUXPZWMYMMTWQR-QFIPXVFZSA-N 1 2 393.491 2.073 20 30 GEEDLO Cc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ccc1C#N ZINC001164945110 721976485 /nfs/dbraw/zinc/97/64/85/721976485.db2.gz CJUPSUHJIFFUOH-UHFFFAOYSA-N 1 2 375.476 2.233 20 30 GEEDLO Cc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ccc1C#N ZINC001164945110 721976486 /nfs/dbraw/zinc/97/64/86/721976486.db2.gz CJUPSUHJIFFUOH-UHFFFAOYSA-N 1 2 375.476 2.233 20 30 GEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163865445 531865136 /nfs/dbraw/zinc/86/51/36/531865136.db2.gz HBYIBZIWGIJMLD-UHFFFAOYSA-N 1 2 393.329 2.329 20 30 GEEDLO CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@@H+]1CCOC ZINC000166035161 531874549 /nfs/dbraw/zinc/87/45/49/531874549.db2.gz ZSWNIWHQOWOJJB-HNNXBMFYSA-N 1 2 385.917 2.333 20 30 GEEDLO CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@H+]1CCOC ZINC000166035161 531874558 /nfs/dbraw/zinc/87/45/58/531874558.db2.gz ZSWNIWHQOWOJJB-HNNXBMFYSA-N 1 2 385.917 2.333 20 30 GEEDLO CCC[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@@H+]1CCOC ZINC000166016109 531874816 /nfs/dbraw/zinc/87/48/16/531874816.db2.gz OIRONCXKOZYEQC-HNNXBMFYSA-N 1 2 385.917 2.333 20 30 GEEDLO CCC[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@H+]1CCOC ZINC000166016109 531874824 /nfs/dbraw/zinc/87/48/24/531874824.db2.gz OIRONCXKOZYEQC-HNNXBMFYSA-N 1 2 385.917 2.333 20 30 GEEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000067400030 531885232 /nfs/dbraw/zinc/88/52/32/531885232.db2.gz ZAEVINPJWMZZBQ-OAHLLOKOSA-N 1 2 381.885 2.215 20 30 GEEDLO C=CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000067400030 531885236 /nfs/dbraw/zinc/88/52/36/531885236.db2.gz ZAEVINPJWMZZBQ-OAHLLOKOSA-N 1 2 381.885 2.215 20 30 GEEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000120976783 532006372 /nfs/dbraw/zinc/00/63/72/532006372.db2.gz PHTRLUKNHMGSJK-KRWDZBQOSA-N 1 2 391.313 2.254 20 30 GEEDLO C[C@@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)S1 ZINC000173801792 532034227 /nfs/dbraw/zinc/03/42/27/532034227.db2.gz DYVWOGUTDVXWGI-LLVKDONJSA-N 1 2 384.914 2.009 20 30 GEEDLO Cc1c(Br)cccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000132317606 532213106 /nfs/dbraw/zinc/21/31/06/532213106.db2.gz CVBIEFVHRAHXOF-UHFFFAOYSA-N 1 2 380.286 2.446 20 30 GEEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000179672885 532241300 /nfs/dbraw/zinc/24/13/00/532241300.db2.gz BYHWOSQRZLTLKO-KRWDZBQOSA-N 1 2 391.313 2.158 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000190378104 532355823 /nfs/dbraw/zinc/35/58/23/532355823.db2.gz OXPYUUAZANDMPS-SFHVURJKSA-N 1 2 384.929 2.064 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000190378104 532355824 /nfs/dbraw/zinc/35/58/24/532355824.db2.gz OXPYUUAZANDMPS-SFHVURJKSA-N 1 2 384.929 2.064 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000294524647 532363724 /nfs/dbraw/zinc/36/37/24/532363724.db2.gz LAKGOXAESCHSAL-MRXNPFEDSA-N 1 2 386.279 2.101 20 30 GEEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592753072 532459402 /nfs/dbraw/zinc/45/94/02/532459402.db2.gz RVIJWNKRKZFWNN-GFCCVEGCSA-N 1 2 388.269 2.158 20 30 GEEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1ccc(Br)cc1C#N ZINC000593140687 532471061 /nfs/dbraw/zinc/47/10/61/532471061.db2.gz GWRDIDVBBZYUNS-ZDUSSCGKSA-N 1 2 380.286 2.042 20 30 GEEDLO C=CC[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246309724 532537670 /nfs/dbraw/zinc/53/76/70/532537670.db2.gz YDXVYFXTYUZRQD-UONOGXRCSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246309724 532537675 /nfs/dbraw/zinc/53/76/75/532537675.db2.gz YDXVYFXTYUZRQD-UONOGXRCSA-N 1 2 394.320 2.408 20 30 GEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000594774494 532526449 /nfs/dbraw/zinc/52/64/49/532526449.db2.gz FQKNEWOSXGIIFJ-DOMZBBRYSA-N 1 2 379.507 2.079 20 30 GEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000594774494 532526453 /nfs/dbraw/zinc/52/64/53/532526453.db2.gz FQKNEWOSXGIIFJ-DOMZBBRYSA-N 1 2 379.507 2.079 20 30 GEEDLO C#CC[NH+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2C)CC1 ZINC000283226528 532526627 /nfs/dbraw/zinc/52/66/27/532526627.db2.gz RJLULQRFSPGUCC-UHFFFAOYSA-N 1 2 378.249 2.139 20 30 GEEDLO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000376553032 532617406 /nfs/dbraw/zinc/61/74/06/532617406.db2.gz LUANDFQMUWEFPU-VXGBXAGGSA-N 1 2 376.176 2.416 20 30 GEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000376553032 532617414 /nfs/dbraw/zinc/61/74/14/532617414.db2.gz LUANDFQMUWEFPU-VXGBXAGGSA-N 1 2 376.176 2.416 20 30 GEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000376741602 532627127 /nfs/dbraw/zinc/62/71/27/532627127.db2.gz IEMMLGOTLFPHIP-OAHLLOKOSA-N 1 2 380.857 2.069 20 30 GEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298756591 532673186 /nfs/dbraw/zinc/67/31/86/532673186.db2.gz OAWVJBXYRSUKHP-CVEARBPZSA-N 1 2 384.567 2.408 20 30 GEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298756591 532673189 /nfs/dbraw/zinc/67/31/89/532673189.db2.gz OAWVJBXYRSUKHP-CVEARBPZSA-N 1 2 384.567 2.408 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000265206828 532688932 /nfs/dbraw/zinc/68/89/32/532688932.db2.gz SNESBBMPPYONGY-UHFFFAOYSA-N 1 2 377.392 2.242 20 30 GEEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000285795328 532709890 /nfs/dbraw/zinc/70/98/90/532709890.db2.gz ZSEHYXYJHKQYGK-CQSZACIVSA-N 1 2 386.315 2.177 20 30 GEEDLO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000285795328 532709895 /nfs/dbraw/zinc/70/98/95/532709895.db2.gz ZSEHYXYJHKQYGK-CQSZACIVSA-N 1 2 386.315 2.177 20 30 GEEDLO CCN(CCC#N)S(=O)(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000409526169 532724051 /nfs/dbraw/zinc/72/40/51/532724051.db2.gz ZIIOTFXXIPTBLZ-HNNXBMFYSA-N 1 2 384.933 2.499 20 30 GEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000539171865 532725534 /nfs/dbraw/zinc/72/55/34/532725534.db2.gz DVNNTRTUVNYXBC-UHFFFAOYSA-N 1 2 378.763 2.449 20 30 GEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(Br)cc2)C1=O ZINC000499998669 532730297 /nfs/dbraw/zinc/73/02/97/532730297.db2.gz TTWRYPJAFHSBQB-IUODEOHRSA-N 1 2 380.286 2.495 20 30 GEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(Br)cc2)C1=O ZINC000499998669 532730301 /nfs/dbraw/zinc/73/03/01/532730301.db2.gz TTWRYPJAFHSBQB-IUODEOHRSA-N 1 2 380.286 2.495 20 30 GEEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000299652793 532732221 /nfs/dbraw/zinc/73/22/21/532732221.db2.gz LBEFBIAFJWMDFE-DLBZAZTESA-N 1 2 391.313 2.300 20 30 GEEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3ccc(Br)s3)CC2)C1=O ZINC000410313440 532737371 /nfs/dbraw/zinc/73/73/71/532737371.db2.gz PJGVDXSEJATAOF-CQSZACIVSA-N 1 2 384.343 2.415 20 30 GEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ncc(Br)cc1Br ZINC000578512224 532737536 /nfs/dbraw/zinc/73/75/36/532737536.db2.gz RBYILCAVGLRKGK-GFCCVEGCSA-N 1 2 390.079 2.180 20 30 GEEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)C1=O ZINC000410416373 532739237 /nfs/dbraw/zinc/73/92/37/532739237.db2.gz YRZOTCOHKSDEMP-QGZVFWFLSA-N 1 2 378.314 2.354 20 30 GEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000410423896 532741009 /nfs/dbraw/zinc/74/10/09/532741009.db2.gz ZZRRHPRISJGFOT-AWEZNQCLSA-N 1 2 384.933 2.014 20 30 GEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000410423896 532741015 /nfs/dbraw/zinc/74/10/15/532741015.db2.gz ZZRRHPRISJGFOT-AWEZNQCLSA-N 1 2 384.933 2.014 20 30 GEEDLO N#CCc1ccc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)c(Cl)c1 ZINC000451033343 532760807 /nfs/dbraw/zinc/76/08/07/532760807.db2.gz XMCDBGAHJFDLEH-UHFFFAOYSA-N 1 2 378.885 2.460 20 30 GEEDLO N#Cc1cc(Br)ccc1NCCCCN1CC[NH+](CCO)CC1 ZINC000541191605 532750006 /nfs/dbraw/zinc/75/00/06/532750006.db2.gz GHTQMCOKKPHKGZ-UHFFFAOYSA-N 1 2 381.318 2.123 20 30 GEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000451604492 532766613 /nfs/dbraw/zinc/76/66/13/532766613.db2.gz BBBRXUJLCBGVJR-CYBMUJFWSA-N 1 2 381.889 2.342 20 30 GEEDLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329936141 532813296 /nfs/dbraw/zinc/81/32/96/532813296.db2.gz RKHMFILHAHEZMZ-BPNCWPANSA-N 1 2 386.279 2.228 20 30 GEEDLO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329936141 532813298 /nfs/dbraw/zinc/81/32/98/532813298.db2.gz RKHMFILHAHEZMZ-BPNCWPANSA-N 1 2 386.279 2.228 20 30 GEEDLO COCC[N@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)cc1 ZINC000063754357 205187845 /nfs/dbraw/zinc/18/78/45/205187845.db2.gz NVITWONIYRJYHY-UHFFFAOYSA-N 1 2 394.475 2.347 20 30 GEEDLO COCC[N@@H+](CC(=O)Nc1ccc(C(=O)N(C)C)cc1)Cc1ccc(C#N)cc1 ZINC000063754357 205187849 /nfs/dbraw/zinc/18/78/49/205187849.db2.gz NVITWONIYRJYHY-UHFFFAOYSA-N 1 2 394.475 2.347 20 30 GEEDLO COC(=O)C[N@H+](CCC(=O)N(C)CCC#N)Cc1cccc(Br)c1 ZINC000276461802 532896321 /nfs/dbraw/zinc/89/63/21/532896321.db2.gz WQJJVYKJERPPNL-UHFFFAOYSA-N 1 2 396.285 2.186 20 30 GEEDLO COC(=O)C[N@@H+](CCC(=O)N(C)CCC#N)Cc1cccc(Br)c1 ZINC000276461802 532896323 /nfs/dbraw/zinc/89/63/23/532896323.db2.gz WQJJVYKJERPPNL-UHFFFAOYSA-N 1 2 396.285 2.186 20 30 GEEDLO N#Cc1cc(Br)cc(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000267886707 570565296 /nfs/dbraw/zinc/56/52/96/570565296.db2.gz RMAKTRREKYQUBZ-UHFFFAOYSA-N 1 2 395.282 2.332 20 30 GEEDLO N#Cc1cnc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(Cl)c1 ZINC000737728003 598387086 /nfs/dbraw/zinc/38/70/86/598387086.db2.gz GYXOYPAHNFSACS-UHFFFAOYSA-N 1 2 380.843 2.109 20 30 GEEDLO C=CCCCC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000819734286 606264475 /nfs/dbraw/zinc/26/44/75/606264475.db2.gz KZMKLDLEUHSUEQ-UHFFFAOYSA-N 1 2 377.452 2.420 20 30 GEEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826386215 608066964 /nfs/dbraw/zinc/06/69/64/608066964.db2.gz UOJSUIQAMLRZQS-IBGZPJMESA-N 1 2 376.420 2.191 20 30 GEEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826386215 608066965 /nfs/dbraw/zinc/06/69/65/608066965.db2.gz UOJSUIQAMLRZQS-IBGZPJMESA-N 1 2 376.420 2.191 20 30 GEEDLO C[C@@H](CNC(=O)COc1ccc(C#N)c(Br)c1)Cn1cc[nH+]c1 ZINC000449958827 650056765 /nfs/dbraw/zinc/05/67/65/650056765.db2.gz IVJLTOUYVRDJFI-LBPRGKRZSA-N 1 2 377.242 2.349 20 30 GEEDLO N#CCc1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000451346857 650105781 /nfs/dbraw/zinc/10/57/81/650105781.db2.gz NRDLWCUHCIOQRS-AWEZNQCLSA-N 1 2 376.869 2.358 20 30 GEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Br)cc1C#N ZINC000451926717 650154317 /nfs/dbraw/zinc/15/43/17/650154317.db2.gz MLQDPJPTZXXKBU-IUODEOHRSA-N 1 2 378.270 2.256 20 30 GEEDLO N#CCCC[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000054366481 642751879 /nfs/dbraw/zinc/75/18/79/642751879.db2.gz MAHWHQKHAIOHQY-UHFFFAOYSA-N 1 2 383.233 2.353 20 30 GEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494254925 650802976 /nfs/dbraw/zinc/80/29/76/650802976.db2.gz WKBWJZRITWHAAN-GFCCVEGCSA-N 1 2 388.331 2.313 20 30 GEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494254925 650802977 /nfs/dbraw/zinc/80/29/77/650802977.db2.gz WKBWJZRITWHAAN-GFCCVEGCSA-N 1 2 388.331 2.313 20 30 GEEDLO C#Cc1cccc(NC(=O)C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c1 ZINC000105401528 643205534 /nfs/dbraw/zinc/20/55/34/643205534.db2.gz YCRVXOULLTYKTN-QGZVFWFLSA-N 1 2 386.249 2.185 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000112633056 643368006 /nfs/dbraw/zinc/36/80/06/643368006.db2.gz XYKLEKKIYZNFGM-UHFFFAOYSA-N 1 2 388.265 2.072 20 30 GEEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000173855283 644362096 /nfs/dbraw/zinc/36/20/96/644362096.db2.gz UMUWWQNKELDRLO-HUUCEWRRSA-N 1 2 378.314 2.266 20 30 GEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2nc(C)c(Br)s2)CC1 ZINC000180066021 644486951 /nfs/dbraw/zinc/48/69/51/644486951.db2.gz COFJYCDLWKOUOH-UHFFFAOYSA-N 1 2 380.333 2.143 20 30 GEEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000268924048 646006421 /nfs/dbraw/zinc/00/64/21/646006421.db2.gz VAZCPXLUQNWULC-AWEZNQCLSA-N 1 2 386.901 2.352 20 30 GEEDLO C=CC[N@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000268924048 646006425 /nfs/dbraw/zinc/00/64/25/646006425.db2.gz VAZCPXLUQNWULC-AWEZNQCLSA-N 1 2 386.901 2.352 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)cc1OC ZINC000271345162 646194067 /nfs/dbraw/zinc/19/40/67/646194067.db2.gz OWUMGBKNJSKXFX-GFCCVEGCSA-N 1 2 384.274 2.265 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1OC ZINC000271345162 646194071 /nfs/dbraw/zinc/19/40/71/646194071.db2.gz OWUMGBKNJSKXFX-GFCCVEGCSA-N 1 2 384.274 2.265 20 30 GEEDLO N#CCSc1cccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000370215197 647782850 /nfs/dbraw/zinc/78/28/50/647782850.db2.gz JBMPVRWNPTYXST-GOSISDBHSA-N 1 2 377.535 2.240 20 30 GEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)C[C@@H]1C ZINC000408116824 647927830 /nfs/dbraw/zinc/92/78/30/647927830.db2.gz ZUTDKVOEYUHADR-RYUDHWBXSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)C[C@@H]1C ZINC000408116824 647927836 /nfs/dbraw/zinc/92/78/36/647927836.db2.gz ZUTDKVOEYUHADR-RYUDHWBXSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)C[C@@H]1C ZINC000408116823 647927879 /nfs/dbraw/zinc/92/78/79/647927879.db2.gz ZUTDKVOEYUHADR-NWDGAFQWSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)C[C@@H]1C ZINC000408116823 647927884 /nfs/dbraw/zinc/92/78/84/647927884.db2.gz ZUTDKVOEYUHADR-NWDGAFQWSA-N 1 2 386.315 2.424 20 30 GEEDLO C[C@@H](C#N)S(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000416424716 648123841 /nfs/dbraw/zinc/12/38/41/648123841.db2.gz AUGBWPBTLAIJAZ-LBPRGKRZSA-N 1 2 386.315 2.245 20 30 GEEDLO C=C(Br)C[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl ZINC000729681575 651574270 /nfs/dbraw/zinc/57/42/70/651574270.db2.gz GEGWSWGMUAYYLY-SNVBAGLBSA-N 1 2 382.711 2.203 20 30 GEEDLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000565235747 651590026 /nfs/dbraw/zinc/59/00/26/651590026.db2.gz QKQQEHAODGSORL-CYBMUJFWSA-N 1 2 383.901 2.085 20 30 GEEDLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000565235747 651590029 /nfs/dbraw/zinc/59/00/29/651590029.db2.gz QKQQEHAODGSORL-CYBMUJFWSA-N 1 2 383.901 2.085 20 30 GEEDLO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC000732268194 651651761 /nfs/dbraw/zinc/65/17/61/651651761.db2.gz GBLVKJQBHBHUNH-LBPRGKRZSA-N 1 2 378.527 2.223 20 30 GEEDLO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC000732268194 651651766 /nfs/dbraw/zinc/65/17/66/651651766.db2.gz GBLVKJQBHBHUNH-LBPRGKRZSA-N 1 2 378.527 2.223 20 30 GEEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1c(Br)cc(Cl)cc1C#N ZINC000570989085 651804236 /nfs/dbraw/zinc/80/42/36/651804236.db2.gz KNADBZCRDWUXJG-CYBMUJFWSA-N 1 2 388.693 2.103 20 30 GEEDLO N#Cc1ccc(Br)c(C[NH+]2CCC([C@H](O)C(=O)NC3CC3)CC2)c1 ZINC000575111718 652063070 /nfs/dbraw/zinc/06/30/70/652063070.db2.gz KJPPVGJURNUOHX-KRWDZBQOSA-N 1 2 392.297 2.172 20 30 GEEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000746502789 652111256 /nfs/dbraw/zinc/11/12/56/652111256.db2.gz IVZSVLSXMCQLNV-SFHVURJKSA-N 1 2 390.325 2.363 20 30 GEEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000746502789 652111261 /nfs/dbraw/zinc/11/12/61/652111261.db2.gz IVZSVLSXMCQLNV-SFHVURJKSA-N 1 2 390.325 2.363 20 30 GEEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000746502786 652111402 /nfs/dbraw/zinc/11/14/02/652111402.db2.gz IVZSVLSXMCQLNV-GOSISDBHSA-N 1 2 390.325 2.363 20 30 GEEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000746502786 652111407 /nfs/dbraw/zinc/11/14/07/652111407.db2.gz IVZSVLSXMCQLNV-GOSISDBHSA-N 1 2 390.325 2.363 20 30 GEEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000748812338 652217772 /nfs/dbraw/zinc/21/77/72/652217772.db2.gz CIUFUUXURXPWGL-GOSISDBHSA-N 1 2 390.325 2.363 20 30 GEEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000748812338 652217779 /nfs/dbraw/zinc/21/77/79/652217779.db2.gz CIUFUUXURXPWGL-GOSISDBHSA-N 1 2 390.325 2.363 20 30 GEEDLO Cc1cc2c(c(Br)c1)NC(=O)C2=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753936630 652421120 /nfs/dbraw/zinc/42/11/20/652421120.db2.gz ADMYTIBXCAJUCJ-TXEJJXNPSA-N 1 2 376.258 2.274 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000583605831 652491468 /nfs/dbraw/zinc/49/14/68/652491468.db2.gz QQDHCZQKSPOGJD-LLVKDONJSA-N 1 2 375.226 2.027 20 30 GEEDLO N#CC[C@@]1(O)CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000592847371 652604727 /nfs/dbraw/zinc/60/47/27/652604727.db2.gz XPCWHNQKFYCENP-SJLPKXTDSA-N 1 2 392.297 2.463 20 30 GEEDLO N#CC[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000595615254 652735067 /nfs/dbraw/zinc/73/50/67/652735067.db2.gz LMZJBZFBKJWACB-ZDUSSCGKSA-N 1 2 393.285 2.129 20 30 GEEDLO N#CC[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000595615254 652735071 /nfs/dbraw/zinc/73/50/71/652735071.db2.gz LMZJBZFBKJWACB-ZDUSSCGKSA-N 1 2 393.285 2.129 20 30 GEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(C)cc2Br)nn1 ZINC000640771168 653137622 /nfs/dbraw/zinc/13/76/22/653137622.db2.gz KNYCMOQYZRDTOD-UHFFFAOYSA-N 1 2 376.258 2.101 20 30 GEEDLO C#CCNC(=O)C1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000769020097 653141037 /nfs/dbraw/zinc/14/10/37/653141037.db2.gz CMPPZRYZQZHHSF-UHFFFAOYSA-N 1 2 375.270 2.058 20 30 GEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccccc2Br)nn1 ZINC000640902208 653145517 /nfs/dbraw/zinc/14/55/17/653145517.db2.gz XMSPDDROZRGOEL-LBPRGKRZSA-N 1 2 376.258 2.353 20 30 GEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2ccccc2Br)nn1 ZINC000640902207 653145701 /nfs/dbraw/zinc/14/57/01/653145701.db2.gz XMSPDDROZRGOEL-GFCCVEGCSA-N 1 2 376.258 2.353 20 30 GEEDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000874711175 653334094 /nfs/dbraw/zinc/33/40/94/653334094.db2.gz NNVINUXYNDAHKT-INIZCTEOSA-N 1 2 380.286 2.090 20 30 GEEDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000874711175 653334101 /nfs/dbraw/zinc/33/41/01/653334101.db2.gz NNVINUXYNDAHKT-INIZCTEOSA-N 1 2 380.286 2.090 20 30 GEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccc(Br)cc1 ZINC000836348943 653346221 /nfs/dbraw/zinc/34/62/21/653346221.db2.gz ITLDCNFCSAOBSX-CJNGLKHVSA-N 1 2 380.286 2.143 20 30 GEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccc(Br)cc1 ZINC000836348943 653346225 /nfs/dbraw/zinc/34/62/25/653346225.db2.gz ITLDCNFCSAOBSX-CJNGLKHVSA-N 1 2 380.286 2.143 20 30 GEEDLO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Br)n1 ZINC000858158075 653351238 /nfs/dbraw/zinc/35/12/38/653351238.db2.gz ZVRAWFRZMWXVIB-OAHLLOKOSA-N 1 2 388.269 2.339 20 30 GEEDLO C/C(=C\C(=O)N[C@@H](C#N)c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000900111584 654050653 /nfs/dbraw/zinc/05/06/53/654050653.db2.gz AVITZOAGLYDISC-ISBHARSQSA-N 1 2 378.270 2.408 20 30 GEEDLO C=C(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000900939734 654098179 /nfs/dbraw/zinc/09/81/79/654098179.db2.gz BMLPFMUTGJECEN-UHFFFAOYSA-N 1 2 380.495 2.390 20 30 GEEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000921321722 654247108 /nfs/dbraw/zinc/24/71/08/654247108.db2.gz JAHMVQQIKVDJIV-IAGOWNOFSA-N 1 2 379.551 2.346 20 30 GEEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000921321722 654247112 /nfs/dbraw/zinc/24/71/12/654247112.db2.gz JAHMVQQIKVDJIV-IAGOWNOFSA-N 1 2 379.551 2.346 20 30 GEEDLO C=CC[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000157254480 531736169 /nfs/dbraw/zinc/73/61/69/531736169.db2.gz QFTWDWGCTBFAMS-CABCVRRESA-N 1 2 377.428 2.284 20 30 GEEDLO C=CC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000157254480 531736174 /nfs/dbraw/zinc/73/61/74/531736174.db2.gz QFTWDWGCTBFAMS-CABCVRRESA-N 1 2 377.428 2.284 20 30 GEEDLO C=CC[N@@H+](Cc1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000173359552 532006737 /nfs/dbraw/zinc/00/67/37/532006737.db2.gz XYCWQEYRGAMWAI-AWEZNQCLSA-N 1 2 391.274 2.466 20 30 GEEDLO C=CC[N@H+](Cc1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000173359552 532006741 /nfs/dbraw/zinc/00/67/41/532006741.db2.gz XYCWQEYRGAMWAI-AWEZNQCLSA-N 1 2 391.274 2.466 20 30 GEEDLO Cc1sc(NC(=O)C[N@H+](CCO)CCOCC(F)(F)F)c(C#N)c1C ZINC000177168094 532163405 /nfs/dbraw/zinc/16/34/05/532163405.db2.gz NWUFIWXQMCKWBI-UHFFFAOYSA-N 1 2 379.404 2.048 20 30 GEEDLO Cc1sc(NC(=O)C[N@@H+](CCO)CCOCC(F)(F)F)c(C#N)c1C ZINC000177168094 532163409 /nfs/dbraw/zinc/16/34/09/532163409.db2.gz NWUFIWXQMCKWBI-UHFFFAOYSA-N 1 2 379.404 2.048 20 30 GEEDLO Cc1nc(CC(N)=[NH+]OCC(=O)NCCOc2ccc(Cl)cc2)cs1 ZINC000178145006 532194565 /nfs/dbraw/zinc/19/45/65/532194565.db2.gz APLCIWWMRBEIEG-UHFFFAOYSA-N 1 2 382.873 2.131 20 30 GEEDLO Cc1nc(Br)ccc1NC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000181358608 532296412 /nfs/dbraw/zinc/29/64/12/532296412.db2.gz LGSAZMFFSSRTLL-UHFFFAOYSA-N 1 2 396.289 2.232 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(F)cc1Br ZINC000188172424 532347017 /nfs/dbraw/zinc/34/70/17/532347017.db2.gz QXEXUINRMHSRDD-UHFFFAOYSA-N 1 2 398.276 2.205 20 30 GEEDLO Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C#N)c[nH+]1 ZINC000425197141 532372057 /nfs/dbraw/zinc/37/20/57/532372057.db2.gz AUDQEQYKFXICII-UHFFFAOYSA-N 1 2 376.869 2.426 20 30 GEEDLO COc1nc(N2CCN(c3cc(C)[nH+]cc3C#N)CC2)ncc1Br ZINC000425223176 532376696 /nfs/dbraw/zinc/37/66/96/532376696.db2.gz BNZKFMWHDHFBEF-UHFFFAOYSA-N 1 2 389.257 2.149 20 30 GEEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191772973 532365758 /nfs/dbraw/zinc/36/57/58/532365758.db2.gz GPZYOTFALDKSSE-UHFFFAOYSA-N 1 2 393.329 2.307 20 30 GEEDLO C=CCN(CC=C)C(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000515477006 532366407 /nfs/dbraw/zinc/36/64/07/532366407.db2.gz XNAIAVSCRKMGIK-UHFFFAOYSA-N 1 2 391.269 2.222 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)o1 ZINC000516884696 532395501 /nfs/dbraw/zinc/39/55/01/532395501.db2.gz KXQSTZXMUYLOKZ-HNNXBMFYSA-N 1 2 377.491 2.047 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)o1 ZINC000516884696 532395505 /nfs/dbraw/zinc/39/55/05/532395505.db2.gz KXQSTZXMUYLOKZ-HNNXBMFYSA-N 1 2 377.491 2.047 20 30 GEEDLO N#Cc1ccc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000590835344 532388462 /nfs/dbraw/zinc/38/84/62/532388462.db2.gz HWRNNXFSUJZDPE-OKILXGFUSA-N 1 2 379.258 2.305 20 30 GEEDLO N#Cc1ccc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000590835344 532388465 /nfs/dbraw/zinc/38/84/65/532388465.db2.gz HWRNNXFSUJZDPE-OKILXGFUSA-N 1 2 379.258 2.305 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1OCC ZINC000678298371 532391808 /nfs/dbraw/zinc/39/18/08/532391808.db2.gz RQYFHDLTXKZIMD-OKILXGFUSA-N 1 2 386.286 2.340 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1OCC ZINC000678298371 532391814 /nfs/dbraw/zinc/39/18/14/532391814.db2.gz RQYFHDLTXKZIMD-OKILXGFUSA-N 1 2 386.286 2.340 20 30 GEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(F)ccc1I ZINC000516870710 532395009 /nfs/dbraw/zinc/39/50/09/532395009.db2.gz LDWBRKNZWMGGBM-CYBMUJFWSA-N 1 2 375.185 2.004 20 30 GEEDLO C=CCOCCNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000653698499 532541496 /nfs/dbraw/zinc/54/14/96/532541496.db2.gz IRSQDLNEOLTKNA-UHFFFAOYSA-N 1 2 385.262 2.005 20 30 GEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(I)c(F)cc1F ZINC000565051621 532545584 /nfs/dbraw/zinc/54/55/84/532545584.db2.gz OBTSDJLIUYGFEG-ZDUSSCGKSA-N 1 2 393.175 2.143 20 30 GEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595722872 532570191 /nfs/dbraw/zinc/57/01/91/532570191.db2.gz MFZBQQLYCKIFCD-CQSZACIVSA-N 1 2 379.302 2.332 20 30 GEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595722557 532570816 /nfs/dbraw/zinc/57/08/16/532570816.db2.gz CDURBJIXHRLGDH-UHFFFAOYSA-N 1 2 379.302 2.333 20 30 GEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)CSc3n[nH]c(=S)s3)CC2)cc1 ZINC000266974976 532730766 /nfs/dbraw/zinc/73/07/66/532730766.db2.gz VMJXJYGDJGFNGK-UHFFFAOYSA-N 1 2 391.547 2.135 20 30 GEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(Br)cc2C#N)CC1 ZINC000302193079 532768582 /nfs/dbraw/zinc/76/85/82/532768582.db2.gz RQXOGDDWYXHBQI-UHFFFAOYSA-N 1 2 386.315 2.242 20 30 GEEDLO Cn1[nH]c(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)nc1=O ZINC000329553808 532808299 /nfs/dbraw/zinc/80/82/99/532808299.db2.gz DINLNNPMDXMDFZ-UHFFFAOYSA-N 1 2 394.273 2.371 20 30 GEEDLO COc1ccc([C@@H](C)NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1Br ZINC000329703399 532810029 /nfs/dbraw/zinc/81/00/29/532810029.db2.gz IIADBGGXKGDOEU-DIOULYMOSA-N 1 2 398.301 2.448 20 30 GEEDLO COc1ccc([C@@H](C)NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1Br ZINC000329703399 532810032 /nfs/dbraw/zinc/81/00/32/532810032.db2.gz IIADBGGXKGDOEU-DIOULYMOSA-N 1 2 398.301 2.448 20 30 GEEDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H](S(C)(=O)=O)C3)n2)C1 ZINC000328812628 532797814 /nfs/dbraw/zinc/79/78/14/532797814.db2.gz NBAWCUHAYQSWIL-GXTWGEPZSA-N 1 2 386.543 2.039 20 30 GEEDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H](S(C)(=O)=O)C3)n2)C1 ZINC000328812628 532797818 /nfs/dbraw/zinc/79/78/18/532797818.db2.gz NBAWCUHAYQSWIL-GXTWGEPZSA-N 1 2 386.543 2.039 20 30 GEEDLO COc1ccc(Cl)cc1-c1nc(SC[C@H](O)C[N@H+](C)CCC#N)n[nH]1 ZINC000414103530 532819061 /nfs/dbraw/zinc/81/90/61/532819061.db2.gz XBQSLWGARLAUBW-GFCCVEGCSA-N 1 2 381.889 2.432 20 30 GEEDLO COc1ccc(Cl)cc1-c1nc(SC[C@H](O)C[N@@H+](C)CCC#N)n[nH]1 ZINC000414103530 532819063 /nfs/dbraw/zinc/81/90/63/532819063.db2.gz XBQSLWGARLAUBW-GFCCVEGCSA-N 1 2 381.889 2.432 20 30 GEEDLO C=CC[C@H](CO)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273268849 532821943 /nfs/dbraw/zinc/82/19/43/532821943.db2.gz JMFKWYPIMKGVEK-CQSZACIVSA-N 1 2 381.274 2.184 20 30 GEEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)Cn1cc[nH+]c1 ZINC000414471017 532830592 /nfs/dbraw/zinc/83/05/92/532830592.db2.gz PZEBJRCRTHGLAN-NSHDSACASA-N 1 2 383.271 2.132 20 30 GEEDLO C=CCN(CC=C)C(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000048059819 209108316 /nfs/dbraw/zinc/10/83/16/209108316.db2.gz XBEURGUTNXAEFK-UHFFFAOYSA-N 1 2 379.302 2.167 20 30 GEEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000359932356 206270776 /nfs/dbraw/zinc/27/07/76/206270776.db2.gz AZHIKHHDBQEULL-IBGZPJMESA-N 1 2 380.423 2.051 20 30 GEEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000359932356 206270779 /nfs/dbraw/zinc/27/07/79/206270779.db2.gz AZHIKHHDBQEULL-IBGZPJMESA-N 1 2 380.423 2.051 20 30 GEEDLO CC1(C#N)CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333712171 532872143 /nfs/dbraw/zinc/87/21/43/532872143.db2.gz TWOJEKAGFRWWFN-UHFFFAOYSA-N 1 2 380.246 2.058 20 30 GEEDLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000363685260 532900244 /nfs/dbraw/zinc/90/02/44/532900244.db2.gz AHWMPUNORHPPLC-ZBFHGGJFSA-N 1 2 375.416 2.462 20 30 GEEDLO CC[N@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000363685260 532900245 /nfs/dbraw/zinc/90/02/45/532900245.db2.gz AHWMPUNORHPPLC-ZBFHGGJFSA-N 1 2 375.416 2.462 20 30 GEEDLO NC(=NOCc1cc(Br)no1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000291802703 532908781 /nfs/dbraw/zinc/90/87/81/532908781.db2.gz CARBIPBOFNPGNO-UHFFFAOYSA-N 1 2 395.257 2.106 20 30 GEEDLO N#CCCOCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000292968159 532920635 /nfs/dbraw/zinc/92/06/35/532920635.db2.gz DGJVQTKRYQCEHS-UHFFFAOYSA-N 1 2 377.919 2.028 20 30 GEEDLO N#CCCOCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000292968159 532920637 /nfs/dbraw/zinc/92/06/37/532920637.db2.gz DGJVQTKRYQCEHS-UHFFFAOYSA-N 1 2 377.919 2.028 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cscc1Br ZINC000293369302 532925960 /nfs/dbraw/zinc/92/59/60/532925960.db2.gz JBSSJFTTZDSWCT-UHFFFAOYSA-N 1 2 386.315 2.128 20 30 GEEDLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN(c2ncccc2C#N)CC1 ZINC000737409343 599121785 /nfs/dbraw/zinc/12/17/85/599121785.db2.gz MRWUTSDUDZQLGW-UHFFFAOYSA-N 1 2 397.446 2.317 20 30 GEEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000825710805 601815710 /nfs/dbraw/zinc/81/57/10/601815710.db2.gz BPTAJXLNZDRHIT-HZPDHXFCSA-N 1 2 393.557 2.238 20 30 GEEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000825710805 601815711 /nfs/dbraw/zinc/81/57/11/601815711.db2.gz BPTAJXLNZDRHIT-HZPDHXFCSA-N 1 2 393.557 2.238 20 30 GEEDLO N#Cc1ccc(F)cc1CN1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000822829928 607055466 /nfs/dbraw/zinc/05/54/66/607055466.db2.gz PQLMPTPKTXKMSW-UHFFFAOYSA-N 1 2 395.417 2.334 20 30 GEEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826387369 608070495 /nfs/dbraw/zinc/07/04/95/608070495.db2.gz RVLFPSCXHKEYNZ-IBGZPJMESA-N 1 2 376.420 2.191 20 30 GEEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826387369 608070496 /nfs/dbraw/zinc/07/04/96/608070496.db2.gz RVLFPSCXHKEYNZ-IBGZPJMESA-N 1 2 376.420 2.191 20 30 GEEDLO C[NH+]1CCN(c2ccc(CN=Nc3cc(-c4nn[nH]n4)cc(Cl)n3)cc2)CC1 ZINC000826038709 608218157 /nfs/dbraw/zinc/21/81/57/608218157.db2.gz VWNATHKUICOTPW-UHFFFAOYSA-N 1 2 397.874 2.113 20 30 GEEDLO Clc1cc(N[NH+]=Cc2cnc(N3CCOCC3)s2)ccc1-c1nn[nH]n1 ZINC000826351365 609473875 /nfs/dbraw/zinc/47/38/75/609473875.db2.gz KAHWABDRQPYBDZ-UHFFFAOYSA-N 1 2 390.860 2.259 20 30 GEEDLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000450021750 650058437 /nfs/dbraw/zinc/05/84/37/650058437.db2.gz WVLUOXLJWVTSBN-GFCCVEGCSA-N 1 2 394.269 2.030 20 30 GEEDLO N#CCc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000451346858 650105730 /nfs/dbraw/zinc/10/57/30/650105730.db2.gz NRDLWCUHCIOQRS-CQSZACIVSA-N 1 2 376.869 2.358 20 30 GEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(C#N)c1Br ZINC000451689903 650133403 /nfs/dbraw/zinc/13/34/03/650133403.db2.gz KPUQUQVEJPMWGD-OCCSQVGLSA-N 1 2 378.270 2.256 20 30 GEEDLO C=CCn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)Cc1c[nH+]cn1C ZINC000506962446 650452374 /nfs/dbraw/zinc/45/23/74/650452374.db2.gz VTBIKGJHGRQSPZ-UHFFFAOYSA-N 1 2 377.857 2.492 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cc1F ZINC000489103957 650754048 /nfs/dbraw/zinc/75/40/48/650754048.db2.gz QIIXTZWXKPNNMV-UHFFFAOYSA-N 1 2 379.482 2.308 20 30 GEEDLO C#CCSCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000133811687 643898286 /nfs/dbraw/zinc/89/82/86/643898286.db2.gz XGELVNVXEBVMSC-DLBZAZTESA-N 1 2 381.929 2.377 20 30 GEEDLO C#CCSCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133811687 643898297 /nfs/dbraw/zinc/89/82/97/643898297.db2.gz XGELVNVXEBVMSC-DLBZAZTESA-N 1 2 381.929 2.377 20 30 GEEDLO C=CC[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000246751558 645492632 /nfs/dbraw/zinc/49/26/32/645492632.db2.gz QFTWDWGCTBFAMS-GJZGRUSLSA-N 1 2 377.428 2.284 20 30 GEEDLO C=CC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000246751558 645492635 /nfs/dbraw/zinc/49/26/35/645492635.db2.gz QFTWDWGCTBFAMS-GJZGRUSLSA-N 1 2 377.428 2.284 20 30 GEEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000266721256 645860393 /nfs/dbraw/zinc/86/03/93/645860393.db2.gz JQKWRAYSBBNGBQ-UHFFFAOYSA-N 1 2 397.551 2.366 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2scc(C)c2I)CC1 ZINC000276242282 646370704 /nfs/dbraw/zinc/37/07/04/646370704.db2.gz QKOKOOKLFDYMHT-UHFFFAOYSA-N 1 2 388.274 2.442 20 30 GEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000408395675 647951875 /nfs/dbraw/zinc/95/18/75/647951875.db2.gz NFZDKPXVTJTXEL-NWDGAFQWSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000408395675 647951880 /nfs/dbraw/zinc/95/18/80/647951880.db2.gz NFZDKPXVTJTXEL-NWDGAFQWSA-N 1 2 386.315 2.424 20 30 GEEDLO N#Cc1c(Br)cccc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000555948693 651234219 /nfs/dbraw/zinc/23/42/19/651234219.db2.gz JNNWNNCCAYIHBQ-UHFFFAOYSA-N 1 2 391.250 2.447 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cn2cc(Br)ccc2n1 ZINC000610433167 651661648 /nfs/dbraw/zinc/66/16/48/651661648.db2.gz MCVBVARPGLLPDY-UHFFFAOYSA-N 1 2 392.301 2.145 20 30 GEEDLO C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174402 651712540 /nfs/dbraw/zinc/71/25/40/651712540.db2.gz DKBSPKPRLQWIBZ-OAHLLOKOSA-N 1 2 393.329 2.327 20 30 GEEDLO N#Cc1ccc(OCC(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000573071399 651932595 /nfs/dbraw/zinc/93/25/95/651932595.db2.gz LLOZRBIDZIVDJK-LBPRGKRZSA-N 1 2 375.226 2.027 20 30 GEEDLO C#CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000746258922 652098689 /nfs/dbraw/zinc/09/86/89/652098689.db2.gz GBCFLINZRRURHI-RDJZCZTQSA-N 1 2 393.281 2.065 20 30 GEEDLO C#CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCOc2ccc(Br)cc21 ZINC000746258922 652098697 /nfs/dbraw/zinc/09/86/97/652098697.db2.gz GBCFLINZRRURHI-RDJZCZTQSA-N 1 2 393.281 2.065 20 30 GEEDLO N#Cc1csc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000752591891 652389247 /nfs/dbraw/zinc/38/92/47/652389247.db2.gz IMRQJTUZQMEDJL-UHFFFAOYSA-N 1 2 375.475 2.182 20 30 GEEDLO N#Cc1ccc(OCC(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1Br ZINC000590758979 652580772 /nfs/dbraw/zinc/58/07/72/652580772.db2.gz WVWUDXDEBRECMO-LBPRGKRZSA-N 1 2 375.226 2.027 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1 ZINC000760197424 652598663 /nfs/dbraw/zinc/59/86/63/652598663.db2.gz XVYJRSZKRFMZPM-UHFFFAOYSA-N 1 2 387.281 2.416 20 30 GEEDLO N#Cc1ccc(OCC(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1Br ZINC000598947752 652841807 /nfs/dbraw/zinc/84/18/07/652841807.db2.gz LWPUTORATBNVHM-GFCCVEGCSA-N 1 2 375.226 2.027 20 30 GEEDLO C[NH+]1CCC(n2cc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cn2)CC1 ZINC000601979546 653135944 /nfs/dbraw/zinc/13/59/44/653135944.db2.gz OSARVNKIPIFBBU-UHFFFAOYSA-N 1 2 379.873 2.476 20 30 GEEDLO CC#CC[NH2+]Cc1cn(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)nn1 ZINC000641109765 653157671 /nfs/dbraw/zinc/15/76/71/653157671.db2.gz KCLFRBFOQYFSSE-UHFFFAOYSA-N 1 2 376.251 2.327 20 30 GEEDLO C[C@H]1C[NH+](CC(=O)N(C)Cc2ccccc2Br)C[C@H](C)N1CC#N ZINC000602859166 653210280 /nfs/dbraw/zinc/21/02/80/653210280.db2.gz DNMGMPWZFAESGJ-GJZGRUSLSA-N 1 2 393.329 2.326 20 30 GEEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000602866053 653210985 /nfs/dbraw/zinc/21/09/85/653210985.db2.gz YAHAUVWTBUKDFE-LBPRGKRZSA-N 1 2 385.331 2.047 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602884200 653212046 /nfs/dbraw/zinc/21/20/46/653212046.db2.gz WDMSZFXYOZLEBB-RHSMWYFYSA-N 1 2 395.301 2.352 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602884200 653212057 /nfs/dbraw/zinc/21/20/57/653212057.db2.gz WDMSZFXYOZLEBB-RHSMWYFYSA-N 1 2 395.301 2.352 20 30 GEEDLO C#C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000836221783 653339195 /nfs/dbraw/zinc/33/91/95/653339195.db2.gz OQTBEJPLVQRPKY-XJKSGUPXSA-N 1 2 380.286 2.143 20 30 GEEDLO Cn1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Br)n1 ZINC000858158074 653351140 /nfs/dbraw/zinc/35/11/40/653351140.db2.gz ZVRAWFRZMWXVIB-HNNXBMFYSA-N 1 2 388.269 2.339 20 30 GEEDLO Cc1c(Br)c(C)n(NC(=O)c2cccc3[nH+]ccn32)c(=O)c1C#N ZINC000791170736 653804424 /nfs/dbraw/zinc/80/44/24/653804424.db2.gz BIPYGLRQPACDLN-UHFFFAOYSA-N 1 2 386.209 2.131 20 30 GEEDLO COCCOCC[NH+]1CCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000844595675 653809985 /nfs/dbraw/zinc/80/99/85/653809985.db2.gz CWGWNCZRYCQPNP-UHFFFAOYSA-N 1 2 382.917 2.189 20 30 GEEDLO O=C1[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CCCN1O ZINC000895163554 653821062 /nfs/dbraw/zinc/82/10/62/653821062.db2.gz VYWFTFFRBQHNKU-JTQLQIEISA-N 1 2 394.063 2.387 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(I)cc2F)CC1 ZINC000822935335 653846503 /nfs/dbraw/zinc/84/65/03/653846503.db2.gz QAFAVSFBTVXSGR-UHFFFAOYSA-N 1 2 386.208 2.211 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)CCc1ccc(Br)cc1 ZINC000884102136 653863657 /nfs/dbraw/zinc/86/36/57/653863657.db2.gz RZWKNMNMNKZRID-DOMZBBRYSA-N 1 2 383.286 2.333 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1cc(Cl)ccc1Br ZINC000884328677 653872305 /nfs/dbraw/zinc/87/23/05/653872305.db2.gz VPQOTMJGJFTVLN-ZDUSSCGKSA-N 1 2 389.677 2.208 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC/C=C\c1ccc(Br)cc1 ZINC000884428797 653876528 /nfs/dbraw/zinc/87/65/28/653876528.db2.gz NHTMPQJZCADURL-QTLSWZBMSA-N 1 2 381.270 2.415 20 30 GEEDLO Cc1cc(Br)cn2cc(CCNC(=O)[C@]3(C#N)CCCOC3)[nH+]c12 ZINC000867385339 653925911 /nfs/dbraw/zinc/92/59/11/653925911.db2.gz DTTLYNCCXKBQLL-KRWDZBQOSA-N 1 2 391.269 2.384 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccsc2)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC000848397988 653974406 /nfs/dbraw/zinc/97/44/06/653974406.db2.gz AXUIGOCINOYXNQ-YUTCNCBUSA-N 1 2 380.539 2.156 20 30 GEEDLO CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC000848397988 653974410 /nfs/dbraw/zinc/97/44/10/653974410.db2.gz AXUIGOCINOYXNQ-YUTCNCBUSA-N 1 2 380.539 2.156 20 30 GEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC[N@@H+]1CCO[C@H](C)C1 ZINC000869580761 654106237 /nfs/dbraw/zinc/10/62/37/654106237.db2.gz ASOWFEXLRYYXJD-KGLIPLIRSA-N 1 2 376.881 2.286 20 30 GEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC[N@H+]1CCO[C@H](C)C1 ZINC000869580761 654106243 /nfs/dbraw/zinc/10/62/43/654106243.db2.gz ASOWFEXLRYYXJD-KGLIPLIRSA-N 1 2 376.881 2.286 20 30 GEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000869581281 654106797 /nfs/dbraw/zinc/10/67/97/654106797.db2.gz QMUWCMGJOURTPH-ZIAGYGMSSA-N 1 2 376.881 2.286 20 30 GEEDLO CCCCCCCS(=O)(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000799759344 654109987 /nfs/dbraw/zinc/10/99/87/654109987.db2.gz MVNKKGVCOZCRJW-UHFFFAOYSA-N 1 2 375.579 2.163 20 30 GEEDLO CCCCCCCS(=O)(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000799759344 654109990 /nfs/dbraw/zinc/10/99/90/654109990.db2.gz MVNKKGVCOZCRJW-UHFFFAOYSA-N 1 2 375.579 2.163 20 30 GEEDLO CNC(=O)CC1SC(=Nc2cccc(Cl)c2)N(C[C@@H]2CC[N@@H+]2C)C1=O ZINC000901542162 654130089 /nfs/dbraw/zinc/13/00/89/654130089.db2.gz HZLYYFQBZPIBTM-UONOGXRCSA-N 1 2 380.901 2.112 20 30 GEEDLO CNC(=O)CC1SC(=Nc2cccc(Cl)c2)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000901542162 654130094 /nfs/dbraw/zinc/13/00/94/654130094.db2.gz HZLYYFQBZPIBTM-UONOGXRCSA-N 1 2 380.901 2.112 20 30 GEEDLO C[N@@H+]1CC[C@H]1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccsc1 ZINC000901755381 654147065 /nfs/dbraw/zinc/14/70/65/654147065.db2.gz RVPQDBABPPLTCB-UONOGXRCSA-N 1 2 378.523 2.052 20 30 GEEDLO C[N@H+]1CC[C@H]1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccsc1 ZINC000901755381 654147067 /nfs/dbraw/zinc/14/70/67/654147067.db2.gz RVPQDBABPPLTCB-UONOGXRCSA-N 1 2 378.523 2.052 20 30 GEEDLO N#CCCCS(=O)(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921330356 654249214 /nfs/dbraw/zinc/24/92/14/654249214.db2.gz HGAGWVXIPGGCMX-HUUCEWRRSA-N 1 2 375.416 2.272 20 30 GEEDLO N#CCCCS(=O)(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000921330356 654249222 /nfs/dbraw/zinc/24/92/22/654249222.db2.gz HGAGWVXIPGGCMX-HUUCEWRRSA-N 1 2 375.416 2.272 20 30 GEEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000853565022 654304952 /nfs/dbraw/zinc/30/49/52/654304952.db2.gz YMKVCUUYXQCRSS-CQSZACIVSA-N 1 2 380.539 2.238 20 30 GEEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000853565022 654304957 /nfs/dbraw/zinc/30/49/57/654304957.db2.gz YMKVCUUYXQCRSS-CQSZACIVSA-N 1 2 380.539 2.238 20 30 GEEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C=NNc1[nH+]ccn1C ZINC000834976803 654356278 /nfs/dbraw/zinc/35/62/78/654356278.db2.gz OKILKPXEGGPOGC-SNVBAGLBSA-N 1 2 380.246 2.142 20 30 GEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2scc(C)c2I)C1 ZINC000923565043 654469361 /nfs/dbraw/zinc/46/93/61/654469361.db2.gz XUOCSNWGRXTJJD-LLVKDONJSA-N 1 2 388.274 2.489 20 30 GEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2scc(C)c2I)C1 ZINC000923565043 654469364 /nfs/dbraw/zinc/46/93/64/654469364.db2.gz XUOCSNWGRXTJJD-LLVKDONJSA-N 1 2 388.274 2.489 20 30 GEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000907078979 654508182 /nfs/dbraw/zinc/50/81/82/654508182.db2.gz PYJKVSKMXWJJIJ-WBVHZDCISA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000907078979 654508186 /nfs/dbraw/zinc/50/81/86/654508186.db2.gz PYJKVSKMXWJJIJ-WBVHZDCISA-N 1 2 376.869 2.330 20 30 GEEDLO N#Cc1cc(S(=O)(=O)NCCCCn2cc[nH+]c2)ccc1Br ZINC000907097069 654509457 /nfs/dbraw/zinc/50/94/57/654509457.db2.gz XSPQQWCSLLESKD-UHFFFAOYSA-N 1 2 383.271 2.276 20 30 GEEDLO N#CCCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932947150 654795824 /nfs/dbraw/zinc/79/58/24/654795824.db2.gz ZDFGDDAPJJOPFV-OCAPTIKFSA-N 1 2 379.251 2.119 20 30 GEEDLO N#CCCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932947150 654795826 /nfs/dbraw/zinc/79/58/26/654795826.db2.gz ZDFGDDAPJJOPFV-OCAPTIKFSA-N 1 2 379.251 2.119 20 30 GEEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932947137 654795846 /nfs/dbraw/zinc/79/58/46/654795846.db2.gz ZAEAYWIKJMULQA-XHNCKOQMSA-N 1 2 378.263 2.227 20 30 GEEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932947137 654795847 /nfs/dbraw/zinc/79/58/47/654795847.db2.gz ZAEAYWIKJMULQA-XHNCKOQMSA-N 1 2 378.263 2.227 20 30 GEEDLO CCC[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@@H+]1CCOC ZINC000180241761 532262713 /nfs/dbraw/zinc/26/27/13/532262713.db2.gz YEULFOFYWCAPOV-HNNXBMFYSA-N 1 2 385.917 2.333 20 30 GEEDLO CCC[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@H+]1CCOC ZINC000180241761 532262717 /nfs/dbraw/zinc/26/27/17/532262717.db2.gz YEULFOFYWCAPOV-HNNXBMFYSA-N 1 2 385.917 2.333 20 30 GEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000180914235 532285229 /nfs/dbraw/zinc/28/52/29/532285229.db2.gz PEIKQEDPCUMBTI-AWEZNQCLSA-N 1 2 393.329 2.353 20 30 GEEDLO N#C[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000135402805 532272781 /nfs/dbraw/zinc/27/27/81/532272781.db2.gz XKIBRCBRBIHCHI-CVEARBPZSA-N 1 2 378.270 2.337 20 30 GEEDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)ncn1 ZINC000184069303 532330841 /nfs/dbraw/zinc/33/08/41/532330841.db2.gz ZVLWJFICJITNMG-UHFFFAOYSA-N 1 2 388.269 2.442 20 30 GEEDLO COc1ccnc(N2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)n1 ZINC000191783825 532366450 /nfs/dbraw/zinc/36/64/50/532366450.db2.gz BGUAZSWKQSVVSL-UHFFFAOYSA-N 1 2 388.269 2.442 20 30 GEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ccccc2Br)c1=O ZINC000562440062 532466182 /nfs/dbraw/zinc/46/61/82/532466182.db2.gz PILVEXBLNRJRNL-UHFFFAOYSA-N 1 2 388.265 2.363 20 30 GEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(I)ccc1F ZINC000519652077 532473273 /nfs/dbraw/zinc/47/32/73/532473273.db2.gz OCRIWDVFUPPZFI-CYBMUJFWSA-N 1 2 375.185 2.004 20 30 GEEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000470790747 532536641 /nfs/dbraw/zinc/53/66/41/532536641.db2.gz WTGIHWVIHJDZSJ-UHFFFAOYSA-N 1 2 388.917 2.248 20 30 GEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298756612 532672347 /nfs/dbraw/zinc/67/23/47/532672347.db2.gz OAWVJBXYRSUKHP-JKSUJKDBSA-N 1 2 384.567 2.408 20 30 GEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298756612 532672354 /nfs/dbraw/zinc/67/23/54/532672354.db2.gz OAWVJBXYRSUKHP-JKSUJKDBSA-N 1 2 384.567 2.408 20 30 GEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298756598 532672575 /nfs/dbraw/zinc/67/25/75/532672575.db2.gz OAWVJBXYRSUKHP-HOTGVXAUSA-N 1 2 384.567 2.408 20 30 GEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000298756598 532672582 /nfs/dbraw/zinc/67/25/82/532672582.db2.gz OAWVJBXYRSUKHP-HOTGVXAUSA-N 1 2 384.567 2.408 20 30 GEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2cccc(Br)c2)C1=O ZINC000499957984 532729503 /nfs/dbraw/zinc/72/95/03/532729503.db2.gz VDEJPOOYBLZMPP-WFASDCNBSA-N 1 2 380.286 2.495 20 30 GEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2cccc(Br)c2)C1=O ZINC000499957984 532729506 /nfs/dbraw/zinc/72/95/06/532729506.db2.gz VDEJPOOYBLZMPP-WFASDCNBSA-N 1 2 380.286 2.495 20 30 GEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@@H](C)c2ncc(Br)cn2)CC1 ZINC000329230827 532804524 /nfs/dbraw/zinc/80/45/24/532804524.db2.gz KEUVIYXBCWUDFL-NWDGAFQWSA-N 1 2 382.306 2.425 20 30 GEEDLO CC1(C#N)CC[NH+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000272499309 532816332 /nfs/dbraw/zinc/81/63/32/532816332.db2.gz DISBOGWLSIDJDU-UHFFFAOYSA-N 1 2 393.285 2.129 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000330506777 532820410 /nfs/dbraw/zinc/82/04/10/532820410.db2.gz MDFWQXMKBZTOPH-QGZVFWFLSA-N 1 2 394.317 2.021 20 30 GEEDLO C=CCCCNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000288492723 532829430 /nfs/dbraw/zinc/82/94/30/532829430.db2.gz HKTIBNUQQBRIBZ-UHFFFAOYSA-N 1 2 379.258 2.104 20 30 GEEDLO Cc1c(I)cn(Cc2[nH+]ccn2C(F)F)c(=O)c1C#N ZINC000289367033 532853225 /nfs/dbraw/zinc/85/32/25/532853225.db2.gz NSNLTKUBHJOTHW-UHFFFAOYSA-N 1 2 390.131 2.273 20 30 GEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1ncc(Br)cc1Br ZINC000274831857 532857085 /nfs/dbraw/zinc/85/70/85/532857085.db2.gz JUXMABRJKBPLFD-UHFFFAOYSA-N 1 2 398.120 2.297 20 30 GEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292857433 532919430 /nfs/dbraw/zinc/91/94/30/532919430.db2.gz CEWMKDIIPPTQPJ-MRXNPFEDSA-N 1 2 376.258 2.242 20 30 GEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292857433 532919432 /nfs/dbraw/zinc/91/94/32/532919432.db2.gz CEWMKDIIPPTQPJ-MRXNPFEDSA-N 1 2 376.258 2.242 20 30 GEEDLO Cc1nc(C[NH+]2CCC(CNS(=O)(=O)c3ccc(C#N)o3)CC2)cs1 ZINC000367750557 532927130 /nfs/dbraw/zinc/92/71/30/532927130.db2.gz NEKRYYXGALNELN-UHFFFAOYSA-N 1 2 380.495 2.107 20 30 GEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)c(F)c1 ZINC000737718165 598684728 /nfs/dbraw/zinc/68/47/28/598684728.db2.gz KNBITPQNPAXUCL-UHFFFAOYSA-N 1 2 381.390 2.339 20 30 GEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000822801727 607068947 /nfs/dbraw/zinc/06/89/47/607068947.db2.gz NFLHVPWSOAGIID-LJQANCHMSA-N 1 2 377.427 2.388 20 30 GEEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826386985 608070481 /nfs/dbraw/zinc/07/04/81/608070481.db2.gz ATUZJJUHFVNXCT-IBGZPJMESA-N 1 2 376.420 2.191 20 30 GEEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826386985 608070482 /nfs/dbraw/zinc/07/04/82/608070482.db2.gz ATUZJJUHFVNXCT-IBGZPJMESA-N 1 2 376.420 2.191 20 30 GEEDLO N#Cc1cccc([C@H]2C[N@H+](CCOc3ccccc3-c3nn[nH]n3)CCO2)c1 ZINC000826386953 608070567 /nfs/dbraw/zinc/07/05/67/608070567.db2.gz ZJANSGSDCOBIIM-LJQANCHMSA-N 1 2 376.420 2.191 20 30 GEEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOc3ccccc3-c3nn[nH]n3)CCO2)c1 ZINC000826386953 608070568 /nfs/dbraw/zinc/07/05/68/608070568.db2.gz ZJANSGSDCOBIIM-LJQANCHMSA-N 1 2 376.420 2.191 20 30 GEEDLO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000826169679 608357026 /nfs/dbraw/zinc/35/70/26/608357026.db2.gz AQLCEKFMNZEUEK-UHFFFAOYSA-N 1 2 393.426 2.208 20 30 GEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000450247167 650062747 /nfs/dbraw/zinc/06/27/47/650062747.db2.gz SRMWRDDRVPRCIX-GFCCVEGCSA-N 1 2 389.253 2.449 20 30 GEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Br)cc1C#N ZINC000451926719 650154386 /nfs/dbraw/zinc/15/43/86/650154386.db2.gz MLQDPJPTZXXKBU-WFASDCNBSA-N 1 2 378.270 2.256 20 30 GEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)c1ccco1 ZINC000514802831 650579699 /nfs/dbraw/zinc/57/96/99/650579699.db2.gz VDYCEIXJSYOVNW-ZDUSSCGKSA-N 1 2 398.282 2.495 20 30 GEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000478375595 650584648 /nfs/dbraw/zinc/58/46/48/650584648.db2.gz WEUOHRLUJYOFMZ-CYBMUJFWSA-N 1 2 384.293 2.397 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(I)cc1 ZINC000530904859 650730695 /nfs/dbraw/zinc/73/06/95/650730695.db2.gz OPZFINMYMSSTMD-UHFFFAOYSA-N 1 2 399.276 2.339 20 30 GEEDLO C=C(Br)CNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000069119814 643020487 /nfs/dbraw/zinc/02/04/87/643020487.db2.gz SVBOWUCGPXZGIW-UHFFFAOYSA-N 1 2 395.301 2.297 20 30 GEEDLO C=CC[N@@H+](CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)Cc1cccs1 ZINC000120115833 643592866 /nfs/dbraw/zinc/59/28/66/643592866.db2.gz CFVJUEKRZOXIRX-UHFFFAOYSA-N 1 2 379.507 2.331 20 30 GEEDLO C=CC[N@H+](CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)Cc1cccs1 ZINC000120115833 643592868 /nfs/dbraw/zinc/59/28/68/643592868.db2.gz CFVJUEKRZOXIRX-UHFFFAOYSA-N 1 2 379.507 2.331 20 30 GEEDLO CN(C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1)S(C)(=O)=O ZINC000272456082 646274170 /nfs/dbraw/zinc/27/41/70/646274170.db2.gz CTSSBVCRBKETQL-UHFFFAOYSA-N 1 2 386.315 2.177 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)cc1Br ZINC000279223004 646584888 /nfs/dbraw/zinc/58/48/88/646584888.db2.gz ZEIONEFZVUAGCK-UHFFFAOYSA-N 1 2 384.299 2.037 20 30 GEEDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Cn2cc(Br)ccc2=O)CCO1 ZINC000330323755 647331845 /nfs/dbraw/zinc/33/18/45/647331845.db2.gz HXAOZZBYZPCHMZ-OCCSQVGLSA-N 1 2 395.257 2.221 20 30 GEEDLO C[C@H](CNC(=O)Nc1ccc(I)cc1)[NH+]1CCOCC1 ZINC000330394702 647334743 /nfs/dbraw/zinc/33/47/43/647334743.db2.gz DGERBIIIJATEHG-LLVKDONJSA-N 1 2 389.237 2.338 20 30 GEEDLO C[C@H](NC(=O)c1cc(Br)cnc1N(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000330762447 647351860 /nfs/dbraw/zinc/35/18/60/647351860.db2.gz OBUUYPJVFNZCJF-RYUDHWBXSA-N 1 2 385.306 2.324 20 30 GEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC[N@H+]1C ZINC000408458308 647955277 /nfs/dbraw/zinc/95/52/77/647955277.db2.gz FDZDEZMDBUDFRI-ZJUUUORDSA-N 1 2 390.278 2.173 20 30 GEEDLO C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC[N@@H+]1C ZINC000408458308 647955284 /nfs/dbraw/zinc/95/52/84/647955284.db2.gz FDZDEZMDBUDFRI-ZJUUUORDSA-N 1 2 390.278 2.173 20 30 GEEDLO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)CCn2cc[nH+]c2)n1 ZINC000725882387 651481997 /nfs/dbraw/zinc/48/19/97/651481997.db2.gz CRENFRTXXULSTM-UHFFFAOYSA-N 1 2 375.483 2.025 20 30 GEEDLO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC000732268193 651651777 /nfs/dbraw/zinc/65/17/77/651651777.db2.gz GBLVKJQBHBHUNH-GFCCVEGCSA-N 1 2 378.527 2.223 20 30 GEEDLO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC000732268193 651651780 /nfs/dbraw/zinc/65/17/80/651651780.db2.gz GBLVKJQBHBHUNH-GFCCVEGCSA-N 1 2 378.527 2.223 20 30 GEEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000570127612 651748340 /nfs/dbraw/zinc/74/83/40/651748340.db2.gz UEIUZJVJJLQUCM-GFCCVEGCSA-N 1 2 378.885 2.244 20 30 GEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000571251622 651820672 /nfs/dbraw/zinc/82/06/72/651820672.db2.gz NMUPJJGBGCWDTO-CQSZACIVSA-N 1 2 375.416 2.479 20 30 GEEDLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000571251622 651820675 /nfs/dbraw/zinc/82/06/75/651820675.db2.gz NMUPJJGBGCWDTO-CQSZACIVSA-N 1 2 375.416 2.479 20 30 GEEDLO Cc1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cncc(Br)c1 ZINC000758130968 652531141 /nfs/dbraw/zinc/53/11/41/652531141.db2.gz ZHJDWQIQNPQVEM-UHFFFAOYSA-N 1 2 379.262 2.169 20 30 GEEDLO C=CC[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000676701878 653104370 /nfs/dbraw/zinc/10/43/70/653104370.db2.gz NLZSSYOWKKMOSW-QWHCGFSZSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000676701878 653104374 /nfs/dbraw/zinc/10/43/74/653104374.db2.gz NLZSSYOWKKMOSW-QWHCGFSZSA-N 1 2 394.320 2.408 20 30 GEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164859 653164411 /nfs/dbraw/zinc/16/44/11/653164411.db2.gz SGKKGRJNHALQTB-MRXNPFEDSA-N 1 2 388.269 2.280 20 30 GEEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H]1CCCO1 ZINC000775796096 653329727 /nfs/dbraw/zinc/32/97/27/653329727.db2.gz SNGQNSCHARZBJU-SJORKVTESA-N 1 2 376.503 2.484 20 30 GEEDLO O=[N+]([O-])c1ccccc1S(=O)(=O)NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000783850454 653685625 /nfs/dbraw/zinc/68/56/25/653685625.db2.gz XBLVJDMFBYXPSV-UHFFFAOYSA-N 1 2 377.407 2.154 20 30 GEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(F)cc(I)c1 ZINC000840759469 653693172 /nfs/dbraw/zinc/69/31/72/653693172.db2.gz MQMUDSGQUHPSAM-GFCCVEGCSA-N 1 2 378.185 2.015 20 30 GEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(F)cc(I)c1 ZINC000840759469 653693173 /nfs/dbraw/zinc/69/31/73/653693173.db2.gz MQMUDSGQUHPSAM-GFCCVEGCSA-N 1 2 378.185 2.015 20 30 GEEDLO CC#CC[NH2+]Cc1cn(C[C@@](C)(O)c2ccc(Br)cc2F)nn1 ZINC000881424101 653730744 /nfs/dbraw/zinc/73/07/44/653730744.db2.gz JYAOHYHHWONFAP-MRXNPFEDSA-N 1 2 381.249 2.200 20 30 GEEDLO C#CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000865825769 653776431 /nfs/dbraw/zinc/77/64/31/653776431.db2.gz GJYIIQVBOVOEAQ-HOCLYGCPSA-N 1 2 390.237 2.191 20 30 GEEDLO C#C[C@@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000820611373 653778075 /nfs/dbraw/zinc/77/80/75/653778075.db2.gz KEKBJGNIIABCDV-RHSMWYFYSA-N 1 2 394.313 2.486 20 30 GEEDLO N#Cc1cc(Br)ccc1CC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000845330446 653843831 /nfs/dbraw/zinc/84/38/31/653843831.db2.gz OKSHRGVRJNISOQ-IYBDPMFKSA-N 1 2 379.254 2.270 20 30 GEEDLO N#Cc1cc(Br)ccc1CC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000845330446 653843832 /nfs/dbraw/zinc/84/38/32/653843832.db2.gz OKSHRGVRJNISOQ-IYBDPMFKSA-N 1 2 379.254 2.270 20 30 GEEDLO C#CCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000792768210 653853030 /nfs/dbraw/zinc/85/30/30/653853030.db2.gz YCNTYURXIZWVIP-HNNXBMFYSA-N 1 2 397.260 2.188 20 30 GEEDLO C#CCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000792768210 653853031 /nfs/dbraw/zinc/85/30/31/653853031.db2.gz YCNTYURXIZWVIP-HNNXBMFYSA-N 1 2 397.260 2.188 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(c2ccccc2Br)CCC1 ZINC000884381770 653874747 /nfs/dbraw/zinc/87/47/47/653874747.db2.gz QUJRFXUHOXTYIJ-AWEZNQCLSA-N 1 2 381.270 2.391 20 30 GEEDLO CN(C)S(=O)(=O)c1cccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)c1 ZINC000794698070 653916843 /nfs/dbraw/zinc/91/68/43/653916843.db2.gz HAULLVYFZYSLQY-HJWRWDBZSA-N 1 2 379.507 2.351 20 30 GEEDLO Cc1c(Br)c(C)n(NC(=O)C[C@@H](C)n2cc[nH+]c2)c(=O)c1C#N ZINC000848374403 653972561 /nfs/dbraw/zinc/97/25/61/653972561.db2.gz CBQLCNOYMCVQDX-SECBINFHSA-N 1 2 378.230 2.017 20 30 GEEDLO Cn1c[nH+]cc1CCOC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000829447265 654067494 /nfs/dbraw/zinc/06/74/94/654067494.db2.gz HDSJSRRRKOAXRI-UHFFFAOYSA-N 1 2 389.253 2.276 20 30 GEEDLO N#Cc1cccc(OC2CC[NH+](CCn3cnc(Br)n3)CC2)c1 ZINC000851752359 654174388 /nfs/dbraw/zinc/17/43/88/654174388.db2.gz HIURWFJJRGVQHU-UHFFFAOYSA-N 1 2 376.258 2.456 20 30 GEEDLO C[C@H](C#N)OCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000801914753 654212354 /nfs/dbraw/zinc/21/23/54/654212354.db2.gz GCEHBZACHIVFDC-GFCCVEGCSA-N 1 2 377.919 2.027 20 30 GEEDLO C[C@H](C#N)OCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000801914753 654212359 /nfs/dbraw/zinc/21/23/59/654212359.db2.gz GCEHBZACHIVFDC-GFCCVEGCSA-N 1 2 377.919 2.027 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(-c2ccc(N(C)C)c(Br)c2)no1 ZINC000904123540 654302976 /nfs/dbraw/zinc/30/29/76/654302976.db2.gz OFHWWEIHXCQJSP-LBPRGKRZSA-N 1 2 395.257 2.164 20 30 GEEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C#N)c2ccccc2n1 ZINC001164703092 719868029 /nfs/dbraw/zinc/86/80/29/719868029.db2.gz JTVGSEKZAIJPOP-VGSWGCGISA-N 1 2 394.475 2.339 20 30 GEEDLO N#Cc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913657 721770866 /nfs/dbraw/zinc/77/08/66/721770866.db2.gz ZQZYOEXPXATNFE-HXUWFJFHSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)c1 ZINC001164913657 721770867 /nfs/dbraw/zinc/77/08/67/721770867.db2.gz ZQZYOEXPXATNFE-HXUWFJFHSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1c(F)ccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945024 721975517 /nfs/dbraw/zinc/97/55/17/721975517.db2.gz ATABSEYPYIDNRJ-UHFFFAOYSA-N 1 2 379.439 2.063 20 30 GEEDLO N#Cc1c(F)ccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945024 721975520 /nfs/dbraw/zinc/97/55/20/721975520.db2.gz ATABSEYPYIDNRJ-UHFFFAOYSA-N 1 2 379.439 2.063 20 30 GEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccco1 ZINC000155073772 531653534 /nfs/dbraw/zinc/65/35/34/531653534.db2.gz HJCRBMGGEJMVMH-AWEZNQCLSA-N 1 2 398.282 2.495 20 30 GEEDLO N#Cc1ccsc1NC(=O)C[NH+]1CCC(C(=O)Nc2nccs2)CC1 ZINC000054179140 531774242 /nfs/dbraw/zinc/77/42/42/531774242.db2.gz JPMUITYUCFYMIS-UHFFFAOYSA-N 1 2 375.479 2.365 20 30 GEEDLO CCC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@@H+]1CCOC ZINC000166037048 531874472 /nfs/dbraw/zinc/87/44/72/531874472.db2.gz YRYLDKDERNEWLS-AWEZNQCLSA-N 1 2 385.917 2.333 20 30 GEEDLO CCC[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2C#N)CC[N@H+]1CCOC ZINC000166037048 531874480 /nfs/dbraw/zinc/87/44/80/531874480.db2.gz YRYLDKDERNEWLS-AWEZNQCLSA-N 1 2 385.917 2.333 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1F ZINC000071946654 531915007 /nfs/dbraw/zinc/91/50/07/531915007.db2.gz BVOONSOZPGIEAC-UHFFFAOYSA-N 1 2 384.249 2.276 20 30 GEEDLO N#Cc1cc(F)c(S(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c(F)c1 ZINC000124433472 532121895 /nfs/dbraw/zinc/12/18/95/532121895.db2.gz FRQJXYJHVCEAHP-UHFFFAOYSA-N 1 2 383.445 2.235 20 30 GEEDLO N#Cc1cc(F)c(S(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c(F)c1 ZINC000124433472 532121902 /nfs/dbraw/zinc/12/19/02/532121902.db2.gz FRQJXYJHVCEAHP-UHFFFAOYSA-N 1 2 383.445 2.235 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc2c(c(Br)c1)OCO2 ZINC000176264399 532132321 /nfs/dbraw/zinc/13/23/21/532132321.db2.gz MSQOCAJHQGLVKT-UHFFFAOYSA-N 1 2 396.285 2.226 20 30 GEEDLO N#CCCN(CCOc1cccc(Br)c1)CC[NH+]1CCOCC1 ZINC000129798886 532184772 /nfs/dbraw/zinc/18/47/72/532184772.db2.gz LQXCUGFOSNONKY-UHFFFAOYSA-N 1 2 382.302 2.376 20 30 GEEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000178032109 532190923 /nfs/dbraw/zinc/19/09/23/532190923.db2.gz RWSLLZSQFVOLCQ-ZDUSSCGKSA-N 1 2 376.881 2.113 20 30 GEEDLO C[N@@H+]1CCO[C@H]([C@H](NS(=O)(=O)CCCCC#N)c2ccc(Cl)cc2)C1 ZINC000133382103 532233412 /nfs/dbraw/zinc/23/34/12/532233412.db2.gz SCAPOAYITHERGU-DLBZAZTESA-N 1 2 385.917 2.325 20 30 GEEDLO C[N@H+]1CCO[C@H]([C@H](NS(=O)(=O)CCCCC#N)c2ccc(Cl)cc2)C1 ZINC000133382103 532233417 /nfs/dbraw/zinc/23/34/17/532233417.db2.gz SCAPOAYITHERGU-DLBZAZTESA-N 1 2 385.917 2.325 20 30 GEEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000181439485 532298869 /nfs/dbraw/zinc/29/88/69/532298869.db2.gz YQQIZOBFVBSCPI-KRWDZBQOSA-N 1 2 391.313 2.254 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000191809834 532368631 /nfs/dbraw/zinc/36/86/31/532368631.db2.gz UZLJSIBMTYXYAC-HNNXBMFYSA-N 1 2 398.326 2.321 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000191809834 532368638 /nfs/dbraw/zinc/36/86/38/532368638.db2.gz UZLJSIBMTYXYAC-HNNXBMFYSA-N 1 2 398.326 2.321 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425411277 532385026 /nfs/dbraw/zinc/38/50/26/532385026.db2.gz ADSKBJTTXNTBBZ-UHFFFAOYSA-N 1 2 397.273 2.405 20 30 GEEDLO C[NH+](C)C1(C#N)CCN(S(=O)(=O)c2cccc3c(Cl)ccnc32)CC1 ZINC000295117915 532405778 /nfs/dbraw/zinc/40/57/78/532405778.db2.gz JJOBEZHXBNFUPO-UHFFFAOYSA-N 1 2 378.885 2.497 20 30 GEEDLO N#Cc1ncn(C2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)n1 ZINC000373407308 532447518 /nfs/dbraw/zinc/44/75/18/532447518.db2.gz UEUPNWAGJYUSAZ-UHFFFAOYSA-N 1 2 389.257 2.188 20 30 GEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000593155206 532472788 /nfs/dbraw/zinc/47/27/88/532472788.db2.gz AKRDWTODKFCLAW-KRWDZBQOSA-N 1 2 382.917 2.214 20 30 GEEDLO C[C@H](NC(=O)Cc1ccc(Br)cc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000593457480 532482043 /nfs/dbraw/zinc/48/20/43/532482043.db2.gz YDQJJHXQTCYRQI-STQMWFEESA-N 1 2 380.286 2.089 20 30 GEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000374352966 532498578 /nfs/dbraw/zinc/49/85/78/532498578.db2.gz QGZWLIPPQYFXTM-LBPRGKRZSA-N 1 2 395.282 2.232 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000246006329 532529710 /nfs/dbraw/zinc/52/97/10/532529710.db2.gz YWVGYDBAJVIPFE-IRXDYDNUSA-N 1 2 380.535 2.318 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000246006329 532529714 /nfs/dbraw/zinc/52/97/14/532529714.db2.gz YWVGYDBAJVIPFE-IRXDYDNUSA-N 1 2 380.535 2.318 20 30 GEEDLO C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cscn1 ZINC000595668109 532570139 /nfs/dbraw/zinc/57/01/39/532570139.db2.gz LHLPHFQCFLXTDQ-HIFRSBDPSA-N 1 2 375.523 2.264 20 30 GEEDLO COc1ccc(C[N@@H+]2CC[C@@H]2CNS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000528500879 532568734 /nfs/dbraw/zinc/56/87/34/532568734.db2.gz KJHFXKOQZVYZNV-CQSZACIVSA-N 1 2 377.491 2.181 20 30 GEEDLO COc1ccc(C[N@H+]2CC[C@@H]2CNS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000528500879 532568741 /nfs/dbraw/zinc/56/87/41/532568741.db2.gz KJHFXKOQZVYZNV-CQSZACIVSA-N 1 2 377.491 2.181 20 30 GEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595722870 532570279 /nfs/dbraw/zinc/57/02/79/532570279.db2.gz MFZBQQLYCKIFCD-AWEZNQCLSA-N 1 2 379.302 2.332 20 30 GEEDLO N#CCC1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000596928362 532610098 /nfs/dbraw/zinc/61/00/98/532610098.db2.gz SGNWWSRVQRZJHT-UHFFFAOYSA-N 1 2 380.246 2.058 20 30 GEEDLO N#Cc1sccc1N1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000597183097 532613424 /nfs/dbraw/zinc/61/34/24/532613424.db2.gz JDIYWXVNAIQUNR-UHFFFAOYSA-N 1 2 375.523 2.235 20 30 GEEDLO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000568530317 532679840 /nfs/dbraw/zinc/67/98/40/532679840.db2.gz URAXJLKMTWAFGA-VXGBXAGGSA-N 1 2 386.905 2.199 20 30 GEEDLO C=CC[N@@H+](CCOc1ccc(C(=O)OC)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000440297499 532709702 /nfs/dbraw/zinc/70/97/02/532709702.db2.gz RFGOSBBQQSNUEE-AWEZNQCLSA-N 1 2 387.885 2.181 20 30 GEEDLO C=CC[N@H+](CCOc1ccc(C(=O)OC)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000440297499 532709709 /nfs/dbraw/zinc/70/97/09/532709709.db2.gz RFGOSBBQQSNUEE-AWEZNQCLSA-N 1 2 387.885 2.181 20 30 GEEDLO Cc1cc(Br)ccc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000299499862 532722204 /nfs/dbraw/zinc/72/22/04/532722204.db2.gz FVJDHXGSNBVHRB-UHFFFAOYSA-N 1 2 380.286 2.446 20 30 GEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C1=O ZINC000500028140 532730375 /nfs/dbraw/zinc/73/03/75/532730375.db2.gz XBRIAYMUJDALNW-HNNXBMFYSA-N 1 2 384.307 2.371 20 30 GEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C1=O ZINC000500028140 532730378 /nfs/dbraw/zinc/73/03/78/532730378.db2.gz XBRIAYMUJDALNW-HNNXBMFYSA-N 1 2 384.307 2.371 20 30 GEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C1=O ZINC000500028141 532730929 /nfs/dbraw/zinc/73/09/29/532730929.db2.gz XBRIAYMUJDALNW-OAHLLOKOSA-N 1 2 384.307 2.371 20 30 GEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C1=O ZINC000500028141 532730934 /nfs/dbraw/zinc/73/09/34/532730934.db2.gz XBRIAYMUJDALNW-OAHLLOKOSA-N 1 2 384.307 2.371 20 30 GEEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3ccc(Br)cc3)CC2)C1=O ZINC000410416371 532739920 /nfs/dbraw/zinc/73/99/20/532739920.db2.gz YRZOTCOHKSDEMP-KRWDZBQOSA-N 1 2 378.314 2.354 20 30 GEEDLO C[N@H+](Cc1nccs1)[C@@H]1CC12CCN(S(=O)(=O)CC1(C#N)CC1)CC2 ZINC000554929343 532806374 /nfs/dbraw/zinc/80/63/74/532806374.db2.gz UDPNGXXQWKRCTR-CQSZACIVSA-N 1 2 380.539 2.063 20 30 GEEDLO C[N@@H+](Cc1nccs1)[C@@H]1CC12CCN(S(=O)(=O)CC1(C#N)CC1)CC2 ZINC000554929343 532806378 /nfs/dbraw/zinc/80/63/78/532806378.db2.gz UDPNGXXQWKRCTR-CQSZACIVSA-N 1 2 380.539 2.063 20 30 GEEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CCCSC3)c2)CC1 ZINC000329538308 532808083 /nfs/dbraw/zinc/80/80/83/532808083.db2.gz VIPXAZHDIZSGOM-CQSZACIVSA-N 1 2 383.539 2.354 20 30 GEEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000330943148 532830328 /nfs/dbraw/zinc/83/03/28/532830328.db2.gz HHKORZRGUNRIMP-DGCLKSJQSA-N 1 2 383.290 2.292 20 30 GEEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000330943148 532830330 /nfs/dbraw/zinc/83/03/30/532830330.db2.gz HHKORZRGUNRIMP-DGCLKSJQSA-N 1 2 383.290 2.292 20 30 GEEDLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000292920787 532920158 /nfs/dbraw/zinc/92/01/58/532920158.db2.gz XXSKCDPUMZSXDL-ZFWWWQNUSA-N 1 2 383.901 2.347 20 30 GEEDLO C[N@@H+]1CCN(C2CCN(c3cccc(Br)c3C#N)CC2)C(=O)C1 ZINC000368126783 532930192 /nfs/dbraw/zinc/93/01/92/532930192.db2.gz UKSHWCYZQHYGDS-UHFFFAOYSA-N 1 2 377.286 2.064 20 30 GEEDLO C[N@H+]1CCN(C2CCN(c3cccc(Br)c3C#N)CC2)C(=O)C1 ZINC000368126783 532930194 /nfs/dbraw/zinc/93/01/94/532930194.db2.gz UKSHWCYZQHYGDS-UHFFFAOYSA-N 1 2 377.286 2.064 20 30 GEEDLO COc1ccc(C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1-c1nn[nH]n1 ZINC000826194926 607482915 /nfs/dbraw/zinc/48/29/15/607482915.db2.gz ANINBIMXTXDPMB-UHFFFAOYSA-N 1 2 389.463 2.065 20 30 GEEDLO COc1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1-c1nn[nH]n1 ZINC000826194926 607482916 /nfs/dbraw/zinc/48/29/16/607482916.db2.gz ANINBIMXTXDPMB-UHFFFAOYSA-N 1 2 389.463 2.065 20 30 GEEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000819745587 606813898 /nfs/dbraw/zinc/81/38/98/606813898.db2.gz KZGIIXZUCHWCHL-UHFFFAOYSA-N 1 2 388.435 2.412 20 30 GEEDLO N#Cc1ccccc1OCC[N@@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826386986 608070590 /nfs/dbraw/zinc/07/05/90/608070590.db2.gz ATUZJJUHFVNXCT-LJQANCHMSA-N 1 2 376.420 2.191 20 30 GEEDLO N#Cc1ccccc1OCC[N@H+]1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826386986 608070591 /nfs/dbraw/zinc/07/05/91/608070591.db2.gz ATUZJJUHFVNXCT-LJQANCHMSA-N 1 2 376.420 2.191 20 30 GEEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000451933639 650154924 /nfs/dbraw/zinc/15/49/24/650154924.db2.gz OKHIFQHROYOWAF-LBPRGKRZSA-N 1 2 386.315 2.426 20 30 GEEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000451933639 650154927 /nfs/dbraw/zinc/15/49/27/650154927.db2.gz OKHIFQHROYOWAF-LBPRGKRZSA-N 1 2 386.315 2.426 20 30 GEEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc(Br)cc1C#N ZINC000528132792 650685748 /nfs/dbraw/zinc/68/57/48/650685748.db2.gz NXQQVAWVKCGMDR-QGZVFWFLSA-N 1 2 380.286 2.348 20 30 GEEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc(Br)cc1C#N ZINC000528132792 650685750 /nfs/dbraw/zinc/68/57/50/650685750.db2.gz NXQQVAWVKCGMDR-QGZVFWFLSA-N 1 2 380.286 2.348 20 30 GEEDLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000528536567 650695089 /nfs/dbraw/zinc/69/50/89/650695089.db2.gz ODHQDTLOTSRYJR-UHFFFAOYSA-N 1 2 383.901 2.087 20 30 GEEDLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000528537499 650695280 /nfs/dbraw/zinc/69/52/80/650695280.db2.gz UZIQVLXLDCRMNK-UHFFFAOYSA-N 1 2 383.901 2.087 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@@H](O)c1ccc(Br)cc1 ZINC000267108667 645883010 /nfs/dbraw/zinc/88/30/10/645883010.db2.gz WRXDLUKWVKKCMA-QGZVFWFLSA-N 1 2 382.302 2.030 20 30 GEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)CCc2c[nH]c[nH+]2)nc1C ZINC000276655131 646372371 /nfs/dbraw/zinc/37/23/71/646372371.db2.gz SMVQZXYHIFPEQS-UHFFFAOYSA-N 1 2 375.483 2.479 20 30 GEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)CCc2c[nH+]c[nH]2)nc1C ZINC000276655131 646372375 /nfs/dbraw/zinc/37/23/75/646372375.db2.gz SMVQZXYHIFPEQS-UHFFFAOYSA-N 1 2 375.483 2.479 20 30 GEEDLO C[C@@H](C#N)S(=O)(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000416652923 648203031 /nfs/dbraw/zinc/20/30/31/648203031.db2.gz TWEFGOXCDLPTLN-LBPRGKRZSA-N 1 2 386.315 2.245 20 30 GEEDLO C=CCSCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000552504107 651150966 /nfs/dbraw/zinc/15/09/66/651150966.db2.gz GZFBJCJZOIKDFR-CVEARBPZSA-N 1 2 381.929 2.237 20 30 GEEDLO C=CCSCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000552504107 651150968 /nfs/dbraw/zinc/15/09/68/651150968.db2.gz GZFBJCJZOIKDFR-CVEARBPZSA-N 1 2 381.929 2.237 20 30 GEEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000553869924 651191687 /nfs/dbraw/zinc/19/16/87/651191687.db2.gz PURKRVSIAKYLEG-UHFFFAOYSA-N 1 2 393.329 2.307 20 30 GEEDLO C[NH+]1CCC(C#N)(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 ZINC000609577569 651624602 /nfs/dbraw/zinc/62/46/02/651624602.db2.gz UMEMYKSUSKRLCN-UHFFFAOYSA-N 1 2 389.253 2.008 20 30 GEEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000570127613 651748431 /nfs/dbraw/zinc/74/84/31/651748431.db2.gz UEIUZJVJJLQUCM-LBPRGKRZSA-N 1 2 378.885 2.244 20 30 GEEDLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000577005420 652161897 /nfs/dbraw/zinc/16/18/97/652161897.db2.gz XGZYFJLMXSLISR-CYBMUJFWSA-N 1 2 383.901 2.085 20 30 GEEDLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000577005420 652161900 /nfs/dbraw/zinc/16/19/00/652161900.db2.gz XGZYFJLMXSLISR-CYBMUJFWSA-N 1 2 383.901 2.085 20 30 GEEDLO C=CC[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000676701873 653104204 /nfs/dbraw/zinc/10/42/04/653104204.db2.gz NLZSSYOWKKMOSW-CHWSQXEVSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000676701873 653104207 /nfs/dbraw/zinc/10/42/07/653104207.db2.gz NLZSSYOWKKMOSW-CHWSQXEVSA-N 1 2 394.320 2.408 20 30 GEEDLO N#Cc1ccc(C[NH+]2CCN(C[C@H](O)c3cc(Br)no3)CC2)cc1 ZINC000877944484 653623982 /nfs/dbraw/zinc/62/39/82/653623982.db2.gz XMRWHVMHHIHSMU-HNNXBMFYSA-N 1 2 391.269 2.160 20 30 GEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2cccc(Br)c2)n1 ZINC000789325672 653771600 /nfs/dbraw/zinc/77/16/00/653771600.db2.gz HTPHVKFWMUHNNN-SFHVURJKSA-N 1 2 392.297 2.461 20 30 GEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2cccc(Br)c2)n1 ZINC000789325672 653771602 /nfs/dbraw/zinc/77/16/02/653771602.db2.gz HTPHVKFWMUHNNN-SFHVURJKSA-N 1 2 392.297 2.461 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(c2cccc(Br)c2)CCC1 ZINC000884100107 653863579 /nfs/dbraw/zinc/86/35/79/653863579.db2.gz JELLSLXVQIUUJW-AWEZNQCLSA-N 1 2 381.270 2.391 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(c2ccc(Br)cc2)CCC1 ZINC000884096838 653863641 /nfs/dbraw/zinc/86/36/41/653863641.db2.gz KCAXQBDJKTUEGM-AWEZNQCLSA-N 1 2 381.270 2.391 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000884166213 653866858 /nfs/dbraw/zinc/86/68/58/653866858.db2.gz XIOHKJZPVVOVBZ-HZMBPMFUSA-N 1 2 387.249 2.082 20 30 GEEDLO Cc1nc(N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nc(N)[nH+]1 ZINC000896390820 653877234 /nfs/dbraw/zinc/87/72/34/653877234.db2.gz HHLALDFJQSGQPX-WDSKDSINSA-N 1 2 377.239 2.369 20 30 GEEDLO CN(C)S(=O)(=O)c1cccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)c1 ZINC000794698069 653916809 /nfs/dbraw/zinc/91/68/09/653916809.db2.gz HAULLVYFZYSLQY-CMDGGOBGSA-N 1 2 379.507 2.351 20 30 GEEDLO Cc1c(Br)c(C)n(NC(=O)C[C@H](C)n2cc[nH+]c2)c(=O)c1C#N ZINC000848374404 653972594 /nfs/dbraw/zinc/97/25/94/653972594.db2.gz CBQLCNOYMCVQDX-VIFPVBQESA-N 1 2 378.230 2.017 20 30 GEEDLO C/C(=C/C(=O)N[C@H](C#N)c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000900111585 654050477 /nfs/dbraw/zinc/05/04/77/654050477.db2.gz AVITZOAGLYDISC-IVOILVROSA-N 1 2 378.270 2.408 20 30 GEEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 ZINC000830194916 654104908 /nfs/dbraw/zinc/10/49/08/654104908.db2.gz CZTMESWASGTYBA-UHFFFAOYSA-N 1 2 389.290 2.059 20 30 GEEDLO CS(=O)(=O)[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC000852341842 654234205 /nfs/dbraw/zinc/23/42/05/654234205.db2.gz XROUAFPVEQSNBL-HUUCEWRRSA-N 1 2 376.400 2.234 20 30 GEEDLO CS(=O)(=O)[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)C[C@H]1C(F)(F)F ZINC000852341842 654234210 /nfs/dbraw/zinc/23/42/10/654234210.db2.gz XROUAFPVEQSNBL-HUUCEWRRSA-N 1 2 376.400 2.234 20 30 GEEDLO C[C@@H](CNS(=O)(=O)c1ccc(Br)c(C#N)c1)Cn1cc[nH+]c1 ZINC000903636513 654271112 /nfs/dbraw/zinc/27/11/12/654271112.db2.gz IKEKPYFKIHOADZ-NSHDSACASA-N 1 2 383.271 2.132 20 30 GEEDLO Cc1ccc2c(c1Br)NC(=O)C2=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000853325176 654292640 /nfs/dbraw/zinc/29/26/40/654292640.db2.gz SRLHVKOQJXBPFP-PHIMTYICSA-N 1 2 376.258 2.274 20 30 GEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000923555016 654468337 /nfs/dbraw/zinc/46/83/37/654468337.db2.gz MGVUWDFSOPWFTK-ZDUSSCGKSA-N 1 2 389.249 2.383 20 30 GEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3o2)C1 ZINC000923555016 654468341 /nfs/dbraw/zinc/46/83/41/654468341.db2.gz MGVUWDFSOPWFTK-ZDUSSCGKSA-N 1 2 389.249 2.383 20 30 GEEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](CO)c2c[nH+]cn2C)s1 ZINC000912612646 654761035 /nfs/dbraw/zinc/76/10/35/654761035.db2.gz PVRGYJXMLOQCAT-NSHDSACASA-N 1 2 386.930 2.422 20 30 GEEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3ccc(C#N)cc31)C2 ZINC001165009154 721698257 /nfs/dbraw/zinc/69/82/57/721698257.db2.gz NSPDDPQOTJGTQK-UHFFFAOYSA-N 1 2 376.468 2.343 20 30 GEEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3ccc(C#N)cc31)C2 ZINC001165009154 721698259 /nfs/dbraw/zinc/69/82/59/721698259.db2.gz NSPDDPQOTJGTQK-UHFFFAOYSA-N 1 2 376.468 2.343 20 30 GEEDLO C=CC[N@@H+](Cc1cc2c(c(Br)c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000171748182 531913460 /nfs/dbraw/zinc/91/34/60/531913460.db2.gz ZMWRFERABNFGSW-GFCCVEGCSA-N 1 2 388.283 2.353 20 30 GEEDLO C=CC[N@H+](Cc1cc2c(c(Br)c1)OCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000171748182 531913464 /nfs/dbraw/zinc/91/34/64/531913464.db2.gz ZMWRFERABNFGSW-GFCCVEGCSA-N 1 2 388.283 2.353 20 30 GEEDLO C=CC[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000171748571 531914651 /nfs/dbraw/zinc/91/46/51/531914651.db2.gz XXMBZUWMFBPONE-CHWSQXEVSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000171748571 531914661 /nfs/dbraw/zinc/91/46/61/531914661.db2.gz XXMBZUWMFBPONE-CHWSQXEVSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120977987 532006308 /nfs/dbraw/zinc/00/63/08/532006308.db2.gz RPRNVUPYLFRQKE-YOEHRIQHSA-N 1 2 391.313 2.322 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc2c(cc1Br)OCO2 ZINC000178348516 532199899 /nfs/dbraw/zinc/19/98/99/532199899.db2.gz GAUVMOITRYYTGP-UHFFFAOYSA-N 1 2 396.285 2.226 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1OCC ZINC000187669710 532345118 /nfs/dbraw/zinc/34/51/18/532345118.db2.gz KUEYRQHVKMENGW-KBPBESRZSA-N 1 2 386.286 2.340 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1OCC ZINC000187669710 532345119 /nfs/dbraw/zinc/34/51/19/532345119.db2.gz KUEYRQHVKMENGW-KBPBESRZSA-N 1 2 386.286 2.340 20 30 GEEDLO Cc1cc(N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c(C#N)c[nH+]1 ZINC000425228787 532376907 /nfs/dbraw/zinc/37/69/07/532376907.db2.gz PUHAWOJJDHKJGH-UHFFFAOYSA-N 1 2 376.404 2.054 20 30 GEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191772542 532366205 /nfs/dbraw/zinc/36/62/05/532366205.db2.gz NRLMHNPCZCXQFT-CQSZACIVSA-N 1 2 393.329 2.353 20 30 GEEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1ccc(Br)cc1C#N ZINC000593140686 532471984 /nfs/dbraw/zinc/47/19/84/532471984.db2.gz GWRDIDVBBZYUNS-CYBMUJFWSA-N 1 2 380.286 2.042 20 30 GEEDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000283077932 532518101 /nfs/dbraw/zinc/51/81/01/532518101.db2.gz NTYIXVXDTBHKAU-KBPBESRZSA-N 1 2 380.235 2.145 20 30 GEEDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000283077932 532518102 /nfs/dbraw/zinc/51/81/02/532518102.db2.gz NTYIXVXDTBHKAU-KBPBESRZSA-N 1 2 380.235 2.145 20 30 GEEDLO COc1cc(C#N)ccc1S(=O)(=O)Nc1cc[nH+]c(C)c1Br ZINC000525870366 532535747 /nfs/dbraw/zinc/53/57/47/532535747.db2.gz UXAONCVXDNBJBF-UHFFFAOYSA-N 1 2 382.239 2.256 20 30 GEEDLO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594769891 532525574 /nfs/dbraw/zinc/52/55/74/532525574.db2.gz BHWLOFCJIULWAA-AWEZNQCLSA-N 1 2 379.507 2.080 20 30 GEEDLO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594769891 532525578 /nfs/dbraw/zinc/52/55/78/532525578.db2.gz BHWLOFCJIULWAA-AWEZNQCLSA-N 1 2 379.507 2.080 20 30 GEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000594774496 532526071 /nfs/dbraw/zinc/52/60/71/532526071.db2.gz FQKNEWOSXGIIFJ-IUODEOHRSA-N 1 2 379.507 2.079 20 30 GEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000594774496 532526079 /nfs/dbraw/zinc/52/60/79/532526079.db2.gz FQKNEWOSXGIIFJ-IUODEOHRSA-N 1 2 379.507 2.079 20 30 GEEDLO CN(C)c1ccc(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)c[nH+]1 ZINC000432875327 532546734 /nfs/dbraw/zinc/54/67/34/532546734.db2.gz DQYULVSDLDRPIS-UHFFFAOYSA-N 1 2 395.282 2.260 20 30 GEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000376348641 532608983 /nfs/dbraw/zinc/60/89/83/532608983.db2.gz MKDVGUDCYRBKLH-NSHDSACASA-N 1 2 395.282 2.232 20 30 GEEDLO N#Cc1ccc(OCC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000567323065 532648928 /nfs/dbraw/zinc/64/89/28/532648928.db2.gz MJZCMSMPVIFLFX-LLVKDONJSA-N 1 2 375.226 2.096 20 30 GEEDLO N#Cc1ccc(OCC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)cc1Br ZINC000567323065 532648933 /nfs/dbraw/zinc/64/89/33/532648933.db2.gz MJZCMSMPVIFLFX-LLVKDONJSA-N 1 2 375.226 2.096 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CO)c2cccc(Cl)c2F)cc1 ZINC000499936562 532729392 /nfs/dbraw/zinc/72/93/92/532729392.db2.gz ANGFQSPJHOXDCG-MRXNPFEDSA-N 1 2 382.844 2.448 20 30 GEEDLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000268288767 532760597 /nfs/dbraw/zinc/76/05/97/532760597.db2.gz RDGTUSQBDFERCC-UHFFFAOYSA-N 1 2 375.270 2.407 20 30 GEEDLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000268288767 532760600 /nfs/dbraw/zinc/76/06/00/532760600.db2.gz RDGTUSQBDFERCC-UHFFFAOYSA-N 1 2 375.270 2.407 20 30 GEEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000328755762 532796848 /nfs/dbraw/zinc/79/68/48/532796848.db2.gz TVIHWSKKILNLMM-CYBMUJFWSA-N 1 2 398.301 2.278 20 30 GEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H](c3cncc(Br)c3)C3CC3)C[C@@H]21 ZINC000329674932 532809899 /nfs/dbraw/zinc/80/98/99/532809899.db2.gz UFCSBCSCROSSQA-ARFHVFGLSA-N 1 2 395.301 2.224 20 30 GEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H](c3cncc(Br)c3)C3CC3)C[C@@H]21 ZINC000329674932 532809904 /nfs/dbraw/zinc/80/99/04/532809904.db2.gz UFCSBCSCROSSQA-ARFHVFGLSA-N 1 2 395.301 2.224 20 30 GEEDLO Cc1ccc(F)c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1Br ZINC000331123859 532833806 /nfs/dbraw/zinc/83/38/06/532833806.db2.gz CIQOFJGJVPOBCF-INIZCTEOSA-N 1 2 389.265 2.284 20 30 GEEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(COc2cccc(Br)c2C#N)n1 ZINC000351078550 532887526 /nfs/dbraw/zinc/88/75/26/532887526.db2.gz BADXZLWLZTVTCA-CYBMUJFWSA-N 1 2 392.257 2.201 20 30 GEEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(COc2cccc(Br)c2C#N)n1 ZINC000351078550 532887528 /nfs/dbraw/zinc/88/75/28/532887528.db2.gz BADXZLWLZTVTCA-CYBMUJFWSA-N 1 2 392.257 2.201 20 30 GEEDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc(Br)cc3C#N)C2)nn1 ZINC000367863593 532927895 /nfs/dbraw/zinc/92/78/95/532927895.db2.gz DQAOKPCOYKEQES-CQSZACIVSA-N 1 2 390.241 2.146 20 30 GEEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3C#N)C2)nn1 ZINC000367863593 532927896 /nfs/dbraw/zinc/92/78/96/532927896.db2.gz DQAOKPCOYKEQES-CQSZACIVSA-N 1 2 390.241 2.146 20 30 GEEDLO C=CCOc1ccc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1Cl ZINC000368188204 532930603 /nfs/dbraw/zinc/93/06/03/532930603.db2.gz BEDFJYAQBKKBDK-UHFFFAOYSA-N 1 2 387.933 2.219 20 30 GEEDLO C=CCOc1ccc(C[N@@H+]2CCCN(S(=O)(=O)N(C)C)CC2)cc1Cl ZINC000368188204 532930605 /nfs/dbraw/zinc/93/06/05/532930605.db2.gz BEDFJYAQBKKBDK-UHFFFAOYSA-N 1 2 387.933 2.219 20 30 GEEDLO C[N@@H+]1CCN(C2CCN(c3ccc(Br)cc3C#N)CC2)C(=O)C1 ZINC000371733625 532949463 /nfs/dbraw/zinc/94/94/63/532949463.db2.gz CFGKBGAGHPLAAV-UHFFFAOYSA-N 1 2 377.286 2.064 20 30 GEEDLO C[N@H+]1CCN(C2CCN(c3ccc(Br)cc3C#N)CC2)C(=O)C1 ZINC000371733625 532949464 /nfs/dbraw/zinc/94/94/64/532949464.db2.gz CFGKBGAGHPLAAV-UHFFFAOYSA-N 1 2 377.286 2.064 20 30 GEEDLO N#Cc1ccc(C[NH+]2CCN(c3c4ccccc4nnc3-c3nn[nH]n3)CC2)cc1 ZINC000737713518 598956658 /nfs/dbraw/zinc/95/66/58/598956658.db2.gz YHYZILRVFMCMEH-UHFFFAOYSA-N 1 2 397.446 2.004 20 30 GEEDLO N#Cc1c(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cn2ccccc12 ZINC000737706714 598253846 /nfs/dbraw/zinc/25/38/46/598253846.db2.gz YIVBTKMJHSBMNQ-UHFFFAOYSA-N 1 2 384.447 2.313 20 30 GEEDLO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000826183760 607524671 /nfs/dbraw/zinc/52/46/71/607524671.db2.gz ZGVJEFLRAKGALK-UHFFFAOYSA-N 1 2 393.426 2.208 20 30 GEEDLO Clc1ccc(C#CC[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1 ZINC000822573911 606108797 /nfs/dbraw/zinc/10/87/97/606108797.db2.gz KUMGHHQCWOMYJQ-UHFFFAOYSA-N 1 2 379.855 2.089 20 30 GEEDLO Clc1ccc(C#CC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000822573778 606109266 /nfs/dbraw/zinc/10/92/66/606109266.db2.gz IHQWGLOQIYZTFU-UHFFFAOYSA-N 1 2 379.855 2.089 20 30 GEEDLO N#Cc1ccc(N2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)c(F)c1 ZINC000822830234 607063678 /nfs/dbraw/zinc/06/36/78/607063678.db2.gz YGGWIYCWIPTNTC-UHFFFAOYSA-N 1 2 381.390 2.339 20 30 GEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826384830 608460220 /nfs/dbraw/zinc/46/02/20/608460220.db2.gz LFFAKNINRNSVQN-IBGZPJMESA-N 1 2 385.431 2.054 20 30 GEEDLO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826384830 608460221 /nfs/dbraw/zinc/46/02/21/608460221.db2.gz LFFAKNINRNSVQN-IBGZPJMESA-N 1 2 385.431 2.054 20 30 GEEDLO N#Cc1cccc(CNC(=O)C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826386399 608464739 /nfs/dbraw/zinc/46/47/39/608464739.db2.gz CCEXYSOPJSQYFZ-UHFFFAOYSA-N 1 2 399.458 2.144 20 30 GEEDLO N#Cc1cccc(CNC(=O)C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826386399 608464741 /nfs/dbraw/zinc/46/47/41/608464741.db2.gz CCEXYSOPJSQYFZ-UHFFFAOYSA-N 1 2 399.458 2.144 20 30 GEEDLO Cc1nn(-c2cc[nH+]cc2)cc1CN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000826333074 609468110 /nfs/dbraw/zinc/46/81/10/609468110.db2.gz SJCQTANLUQJNNP-UHFFFAOYSA-N 1 2 392.427 2.487 20 30 GEEDLO CC(C)[C@H](CNC(=O)c1ccc(Br)cc1C#N)[NH+]1CCOCC1 ZINC000448635289 650018385 /nfs/dbraw/zinc/01/83/85/650018385.db2.gz YTYYWTIKNWOAQI-INIZCTEOSA-N 1 2 380.286 2.407 20 30 GEEDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@@H](C)C[N@@H+]1C ZINC000451358462 650107267 /nfs/dbraw/zinc/10/72/67/650107267.db2.gz GGLBNZLMAZGIPZ-ZJUUUORDSA-N 1 2 390.278 2.173 20 30 GEEDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@@H](C)C[N@H+]1C ZINC000451358462 650107270 /nfs/dbraw/zinc/10/72/70/650107270.db2.gz GGLBNZLMAZGIPZ-ZJUUUORDSA-N 1 2 390.278 2.173 20 30 GEEDLO C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451358459 650107242 /nfs/dbraw/zinc/10/72/42/650107242.db2.gz GGLBNZLMAZGIPZ-NXEZZACHSA-N 1 2 390.278 2.173 20 30 GEEDLO C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451358459 650107244 /nfs/dbraw/zinc/10/72/44/650107244.db2.gz GGLBNZLMAZGIPZ-NXEZZACHSA-N 1 2 390.278 2.173 20 30 GEEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000451927064 650154235 /nfs/dbraw/zinc/15/42/35/650154235.db2.gz AGYZZHFTIVQUSZ-CQSZACIVSA-N 1 2 386.315 2.426 20 30 GEEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000451927064 650154239 /nfs/dbraw/zinc/15/42/39/650154239.db2.gz AGYZZHFTIVQUSZ-CQSZACIVSA-N 1 2 386.315 2.426 20 30 GEEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000451968690 650158866 /nfs/dbraw/zinc/15/88/66/650158866.db2.gz JHEXHOBPUIJQSH-GFCCVEGCSA-N 1 2 386.315 2.426 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@](O)(CO)C2)cc1OC ZINC000459646956 650429825 /nfs/dbraw/zinc/42/98/25/650429825.db2.gz JAKLZQHLZADJRQ-KRWDZBQOSA-N 1 2 386.286 2.342 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@](O)(CO)C2)cc1OC ZINC000459646956 650429826 /nfs/dbraw/zinc/42/98/26/650429826.db2.gz JAKLZQHLZADJRQ-KRWDZBQOSA-N 1 2 386.286 2.342 20 30 GEEDLO C=CCOC[C@H](NCc1c[nH+]c2c(C)cc(Br)cn12)C(=O)OC ZINC000482445930 650665692 /nfs/dbraw/zinc/66/56/92/650665692.db2.gz JSEPWLWEEPKWQF-AWEZNQCLSA-N 1 2 382.258 2.239 20 30 GEEDLO C=CCN1CC[C@H]([NH+]2CCN(Cc3cc(Br)ccc3F)CC2)C1=O ZINC000482724680 650667423 /nfs/dbraw/zinc/66/74/23/650667423.db2.gz MXGVUQWAZRZFBE-KRWDZBQOSA-N 1 2 396.304 2.493 20 30 GEEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)[N@@H+]1CCc2sccc2C1 ZINC000489116884 650754558 /nfs/dbraw/zinc/75/45/58/650754558.db2.gz XWHVKXIWVQZZBP-GFCCVEGCSA-N 1 2 379.482 2.484 20 30 GEEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)[N@H+]1CCc2sccc2C1 ZINC000489116884 650754559 /nfs/dbraw/zinc/75/45/59/650754559.db2.gz XWHVKXIWVQZZBP-GFCCVEGCSA-N 1 2 379.482 2.484 20 30 GEEDLO N#Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)C(N)=O)cc1 ZINC000115597581 643443822 /nfs/dbraw/zinc/44/38/22/643443822.db2.gz YPUOKUZDNLSDCL-INIZCTEOSA-N 1 2 387.237 2.075 20 30 GEEDLO N#Cc1ccc(NCCCCN2CC[NH+](CCO)CC2)c(Br)c1 ZINC000119195673 643540867 /nfs/dbraw/zinc/54/08/67/643540867.db2.gz PDMVMFWLLDQRLF-UHFFFAOYSA-N 1 2 381.318 2.123 20 30 GEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000166524789 644276335 /nfs/dbraw/zinc/27/63/35/644276335.db2.gz QQRFITRUCNFTEZ-UHFFFAOYSA-N 1 2 375.416 2.498 20 30 GEEDLO C=CCS(=O)(=O)CCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000272855626 646290176 /nfs/dbraw/zinc/29/01/76/646290176.db2.gz QZSJIDFIOBBHKY-CYBMUJFWSA-N 1 2 386.543 2.097 20 30 GEEDLO C=CCS(=O)(=O)CCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000272855626 646290180 /nfs/dbraw/zinc/29/01/80/646290180.db2.gz QZSJIDFIOBBHKY-CYBMUJFWSA-N 1 2 386.543 2.097 20 30 GEEDLO C[NH+](C)CCCNC(=O)C[C@@H]1S/C(=N/c2ccc(Cl)cc2F)NC1=O ZINC000278190416 646500944 /nfs/dbraw/zinc/50/09/44/646500944.db2.gz GKLNJZSQVXXYJO-ZDUSSCGKSA-N 1 2 386.880 2.156 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)NCc2cn3c([nH+]2)CCCC3)cc1Br ZINC000278762956 646546612 /nfs/dbraw/zinc/54/66/12/646546612.db2.gz KUEBOXZWJXXKCH-UHFFFAOYSA-N 1 2 395.282 2.332 20 30 GEEDLO N#CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000280466186 646684650 /nfs/dbraw/zinc/68/46/50/646684650.db2.gz IVNNGIUNBCMSJO-CQSZACIVSA-N 1 2 383.233 2.285 20 30 GEEDLO N#CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000280466186 646684655 /nfs/dbraw/zinc/68/46/55/646684655.db2.gz IVNNGIUNBCMSJO-CQSZACIVSA-N 1 2 383.233 2.285 20 30 GEEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330379763 647333259 /nfs/dbraw/zinc/33/32/59/647333259.db2.gz TXSJHTJNCWUIME-XFBWCDHKSA-N 1 2 388.896 2.150 20 30 GEEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330379763 647333263 /nfs/dbraw/zinc/33/32/63/647333263.db2.gz TXSJHTJNCWUIME-XFBWCDHKSA-N 1 2 388.896 2.150 20 30 GEEDLO COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2nc(C)sc2Br)C1 ZINC000331311415 647379555 /nfs/dbraw/zinc/37/95/55/647379555.db2.gz BYCBZSDAXQNPDA-JTQLQIEISA-N 1 2 390.303 2.404 20 30 GEEDLO COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2nc(C)sc2Br)C1 ZINC000331311415 647379559 /nfs/dbraw/zinc/37/95/59/647379559.db2.gz BYCBZSDAXQNPDA-JTQLQIEISA-N 1 2 390.303 2.404 20 30 GEEDLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000565235750 651590433 /nfs/dbraw/zinc/59/04/33/651590433.db2.gz QKQQEHAODGSORL-ZDUSSCGKSA-N 1 2 383.901 2.085 20 30 GEEDLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000565235750 651590436 /nfs/dbraw/zinc/59/04/36/651590436.db2.gz QKQQEHAODGSORL-ZDUSSCGKSA-N 1 2 383.901 2.085 20 30 GEEDLO N#Cc1ccc(OCC(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000573071397 651932758 /nfs/dbraw/zinc/93/27/58/651932758.db2.gz LLOZRBIDZIVDJK-GFCCVEGCSA-N 1 2 375.226 2.027 20 30 GEEDLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000581559092 652416639 /nfs/dbraw/zinc/41/66/39/652416639.db2.gz MNWNOOFJRBGWIT-ZDUSSCGKSA-N 1 2 383.901 2.085 20 30 GEEDLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000581559092 652416642 /nfs/dbraw/zinc/41/66/42/652416642.db2.gz MNWNOOFJRBGWIT-ZDUSSCGKSA-N 1 2 383.901 2.085 20 30 GEEDLO Cc1cc(Br)cc2c1NC(=O)C2=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753936160 652421098 /nfs/dbraw/zinc/42/10/98/652421098.db2.gz RXGCRLRMNGVUDG-VXGBXAGGSA-N 1 2 376.258 2.274 20 30 GEEDLO N#Cc1cc(F)c(Nc2ccn(CC[NH+]3CCOCC3)n2)cc1Br ZINC000584182720 652512467 /nfs/dbraw/zinc/51/24/67/652512467.db2.gz JERCLWCJLJXVHY-UHFFFAOYSA-N 1 2 394.248 2.732 20 30 GEEDLO C#CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)C1CC1 ZINC000763944631 652779545 /nfs/dbraw/zinc/77/95/45/652779545.db2.gz NZSURBXZXMGKNL-UHFFFAOYSA-N 1 2 392.297 2.252 20 30 GEEDLO C#CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C)C1CC1 ZINC000763944631 652779548 /nfs/dbraw/zinc/77/95/48/652779548.db2.gz NZSURBXZXMGKNL-UHFFFAOYSA-N 1 2 392.297 2.252 20 30 GEEDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2ccc(Br)cc2C#N)[C@H](C)CO1 ZINC000597993281 652795312 /nfs/dbraw/zinc/79/53/12/652795312.db2.gz FOXRUAKTOKBRCD-CHWSQXEVSA-N 1 2 380.286 2.089 20 30 GEEDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc(Br)cc2C#N)[C@H](C)CO1 ZINC000597993281 652795315 /nfs/dbraw/zinc/79/53/15/652795315.db2.gz FOXRUAKTOKBRCD-CHWSQXEVSA-N 1 2 380.286 2.089 20 30 GEEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000597993282 652795401 /nfs/dbraw/zinc/79/54/01/652795401.db2.gz FOXRUAKTOKBRCD-OLZOCXBDSA-N 1 2 380.286 2.089 20 30 GEEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000597993282 652795409 /nfs/dbraw/zinc/79/54/09/652795409.db2.gz FOXRUAKTOKBRCD-OLZOCXBDSA-N 1 2 380.286 2.089 20 30 GEEDLO N#CC1(CS(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CCCC1 ZINC000601514826 653104858 /nfs/dbraw/zinc/10/48/58/653104858.db2.gz LYSUJXVZSPTYJE-UHFFFAOYSA-N 1 2 380.539 2.138 20 30 GEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2ccc(Br)cc2)nn1 ZINC000640801665 653139988 /nfs/dbraw/zinc/13/99/88/653139988.db2.gz WABMTSBSEOLLIR-LBPRGKRZSA-N 1 2 376.258 2.353 20 30 GEEDLO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@H](C)CC#N ZINC000602871208 653210958 /nfs/dbraw/zinc/21/09/58/653210958.db2.gz ZIVOOANKXDRCNR-GFCCVEGCSA-N 1 2 381.274 2.046 20 30 GEEDLO O=S(=O)(NN=Cc1cccc2[nH+]ccn21)c1ccc(Br)cc1 ZINC000771089724 653231023 /nfs/dbraw/zinc/23/10/23/653231023.db2.gz SRZGWUYBFKATBL-UHFFFAOYSA-N 1 2 379.239 2.409 20 30 GEEDLO C#C[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@H]1CCCO1 ZINC000775572569 653317670 /nfs/dbraw/zinc/31/76/70/653317670.db2.gz SHLBBYZVYGTWQY-SOUVJXGZSA-N 1 2 384.295 2.438 20 30 GEEDLO N#Cc1ccc(OCC(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000838225708 653614116 /nfs/dbraw/zinc/61/41/16/653614116.db2.gz PCLHIFZNCDKBJS-GASCZTMLSA-N 1 2 395.253 2.106 20 30 GEEDLO N#Cc1ccc(OCC(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000838225708 653614118 /nfs/dbraw/zinc/61/41/18/653614118.db2.gz PCLHIFZNCDKBJS-GASCZTMLSA-N 1 2 395.253 2.106 20 30 GEEDLO CC(C)CCOCCNC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947636 653672658 /nfs/dbraw/zinc/67/26/58/653672658.db2.gz FAXSPHUEHHDLSV-UHFFFAOYSA-N 1 2 386.290 2.265 20 30 GEEDLO C#CCOc1cccc(Cl)c1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000840954936 653703924 /nfs/dbraw/zinc/70/39/24/653703924.db2.gz NMYPPBCBUHWJRJ-UHFFFAOYSA-N 1 2 382.913 2.352 20 30 GEEDLO C[NH+]1CCC(C#N)(NC(=O)c2cc(=O)c3cc(Br)ccc3o2)CC1 ZINC000841161901 653708626 /nfs/dbraw/zinc/70/86/26/653708626.db2.gz PQLPUZVMUIBBNR-UHFFFAOYSA-N 1 2 390.237 2.273 20 30 GEEDLO C[NH+]1CCN(c2ccc(NC(=O)CSCC#N)cc2Br)CC1 ZINC000787533029 653739570 /nfs/dbraw/zinc/73/95/70/653739570.db2.gz KYUNFBXJWHRBPJ-UHFFFAOYSA-N 1 2 383.315 2.396 20 30 GEEDLO C#CC1CC[NH+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)CC1 ZINC000842633846 653761368 /nfs/dbraw/zinc/76/13/68/653761368.db2.gz NMEVGTIKNMTPEF-UHFFFAOYSA-N 1 2 390.237 2.047 20 30 GEEDLO N#Cc1nc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1Br ZINC000883093000 653826073 /nfs/dbraw/zinc/82/60/73/653826073.db2.gz GMVPYGPHBIHKOD-GFCCVEGCSA-N 1 2 394.273 2.044 20 30 GEEDLO COC(=O)c1cc(C2C[NH+](Cc3cc(C#N)ccc3Br)C2)[nH]n1 ZINC000898001647 653949532 /nfs/dbraw/zinc/94/95/32/653949532.db2.gz ICTLISXHUDMROP-UHFFFAOYSA-N 1 2 375.226 2.430 20 30 GEEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2cccc(Br)c2C)CC1 ZINC000848430644 653975489 /nfs/dbraw/zinc/97/54/89/653975489.db2.gz OMCBVXRLBKVQTO-UHFFFAOYSA-N 1 2 385.327 2.228 20 30 GEEDLO CC(C)(CNC(=O)COc1cccc(Br)c1C#N)n1cc[nH+]c1 ZINC000898909020 653991748 /nfs/dbraw/zinc/99/17/48/653991748.db2.gz GIQZSVFZCXXBJP-UHFFFAOYSA-N 1 2 377.242 2.448 20 30 GEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000869580762 654106180 /nfs/dbraw/zinc/10/61/80/654106180.db2.gz ASOWFEXLRYYXJD-UONOGXRCSA-N 1 2 376.881 2.286 20 30 GEEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000869580762 654106182 /nfs/dbraw/zinc/10/61/82/654106182.db2.gz ASOWFEXLRYYXJD-UONOGXRCSA-N 1 2 376.881 2.286 20 30 GEEDLO CNC(=O)CC1SC(=Nc2cccc(Cl)c2)N(C[C@@H]2CC[N@@H+]2C)C1=O ZINC000901542160 654130013 /nfs/dbraw/zinc/13/00/13/654130013.db2.gz HZLYYFQBZPIBTM-KBPBESRZSA-N 1 2 380.901 2.112 20 30 GEEDLO CNC(=O)CC1SC(=Nc2cccc(Cl)c2)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000901542160 654130021 /nfs/dbraw/zinc/13/00/21/654130021.db2.gz HZLYYFQBZPIBTM-KBPBESRZSA-N 1 2 380.901 2.112 20 30 GEEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000852361037 654235579 /nfs/dbraw/zinc/23/55/79/654235579.db2.gz REWSIBNLHIYRFR-SJORKVTESA-N 1 2 392.297 2.240 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2ccc(F)c(Br)c2)no1 ZINC000904102787 654301648 /nfs/dbraw/zinc/30/16/48/654301648.db2.gz BMQAPYYQJVZRID-LBPRGKRZSA-N 1 2 384.205 2.161 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCNC(=O)CC23CCOCC3)c1 ZINC000872284055 654321164 /nfs/dbraw/zinc/32/11/64/654321164.db2.gz IHGOPXLFNZOSBS-UHFFFAOYSA-N 1 2 378.270 2.192 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCNC(=O)CC23CCOCC3)c1 ZINC000872284055 654321168 /nfs/dbraw/zinc/32/11/68/654321168.db2.gz IHGOPXLFNZOSBS-UHFFFAOYSA-N 1 2 378.270 2.192 20 30 GEEDLO C#CCCCS(=O)(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000805060497 654343478 /nfs/dbraw/zinc/34/34/78/654343478.db2.gz CVWGSRPEBJQBCC-UHFFFAOYSA-N 1 2 384.299 2.281 20 30 GEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907054611 654504848 /nfs/dbraw/zinc/50/48/48/654504848.db2.gz ZTPCBHKQZRPXIJ-UHFFFAOYSA-N 1 2 383.271 2.228 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc([N+](=O)[O-])ccc1Br ZINC000929775414 654692033 /nfs/dbraw/zinc/69/20/33/654692033.db2.gz YWCLDJWPEOQYGA-UHFFFAOYSA-N 1 2 397.273 2.405 20 30 GEEDLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)Cc2csc(C#N)c2)C[C@@H](C)O1 ZINC000913967950 654819340 /nfs/dbraw/zinc/81/93/40/654819340.db2.gz DTMYFMMLSWPAPP-IIAWOOMASA-N 1 2 383.539 2.023 20 30 GEEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2c(cc1C#N)CCCC2 ZINC001164701164 719867782 /nfs/dbraw/zinc/86/77/82/719867782.db2.gz FPIIFVKYVQPJFC-GCJKJVERSA-N 1 2 398.507 2.065 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(Br)cc1 ZINC000060633831 531846806 /nfs/dbraw/zinc/84/68/06/531846806.db2.gz HHLMBASTPDIKJM-UHFFFAOYSA-N 1 2 380.286 2.066 20 30 GEEDLO CC1CC[NH+](Cc2csc(NS(=O)(=O)c3cccc(C#N)c3)n2)CC1 ZINC000069901580 531912653 /nfs/dbraw/zinc/91/26/53/531912653.db2.gz CNKMWFHXIHNUKD-UHFFFAOYSA-N 1 2 376.507 3.047 20 30 GEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120978157 532005519 /nfs/dbraw/zinc/00/55/19/532005519.db2.gz RPRNVUPYLFRQKE-PBHICJAKSA-N 1 2 391.313 2.322 20 30 GEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120978490 532006151 /nfs/dbraw/zinc/00/61/51/532006151.db2.gz RPRNVUPYLFRQKE-RHSMWYFYSA-N 1 2 391.313 2.322 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123569514 532102204 /nfs/dbraw/zinc/10/22/04/532102204.db2.gz MBYGCCHMVYXTCY-IAGOWNOFSA-N 1 2 380.535 2.318 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123569514 532102206 /nfs/dbraw/zinc/10/22/06/532102206.db2.gz MBYGCCHMVYXTCY-IAGOWNOFSA-N 1 2 380.535 2.318 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123569234 532102511 /nfs/dbraw/zinc/10/25/11/532102511.db2.gz MBYGCCHMVYXTCY-SJORKVTESA-N 1 2 380.535 2.318 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123569234 532102516 /nfs/dbraw/zinc/10/25/16/532102516.db2.gz MBYGCCHMVYXTCY-SJORKVTESA-N 1 2 380.535 2.318 20 30 GEEDLO N#C[C@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000135402844 532272564 /nfs/dbraw/zinc/27/25/64/532272564.db2.gz XKIBRCBRBIHCHI-HOTGVXAUSA-N 1 2 378.270 2.337 20 30 GEEDLO COc1ccnc(N2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)n1 ZINC000181089051 532290644 /nfs/dbraw/zinc/29/06/44/532290644.db2.gz VIQZXXGHDAFJOU-UHFFFAOYSA-N 1 2 388.269 2.442 20 30 GEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000184976559 532336335 /nfs/dbraw/zinc/33/63/35/532336335.db2.gz PJYZALCSAWZJMV-HNNXBMFYSA-N 1 2 383.901 2.087 20 30 GEEDLO Cc1c(Br)cccc1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000190804545 532358008 /nfs/dbraw/zinc/35/80/08/532358008.db2.gz PCTITSCAIBVKPX-UHFFFAOYSA-N 1 2 394.313 2.375 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000294524644 532364132 /nfs/dbraw/zinc/36/41/32/532364132.db2.gz LAKGOXAESCHSAL-INIZCTEOSA-N 1 2 386.279 2.101 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000191809848 532367341 /nfs/dbraw/zinc/36/73/41/532367341.db2.gz UZLJSIBMTYXYAC-OAHLLOKOSA-N 1 2 398.326 2.321 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000191809848 532367350 /nfs/dbraw/zinc/36/73/50/532367350.db2.gz UZLJSIBMTYXYAC-OAHLLOKOSA-N 1 2 398.326 2.321 20 30 GEEDLO N#CCC1(CNC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC1 ZINC000590859716 532390378 /nfs/dbraw/zinc/39/03/78/532390378.db2.gz GIWYGHDTGKJKDK-UHFFFAOYSA-N 1 2 394.273 2.496 20 30 GEEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cc(Br)ccc1C#N)CC2 ZINC000591328104 532408343 /nfs/dbraw/zinc/40/83/43/532408343.db2.gz ICGAPSYWCLFEJJ-UHFFFAOYSA-N 1 2 381.255 2.030 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000562690931 532477909 /nfs/dbraw/zinc/47/79/09/532477909.db2.gz CFHCGZWXABDNRG-SNVBAGLBSA-N 1 2 375.226 2.096 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000562690931 532477915 /nfs/dbraw/zinc/47/79/15/532477915.db2.gz CFHCGZWXABDNRG-SNVBAGLBSA-N 1 2 375.226 2.096 20 30 GEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000594774501 532526599 /nfs/dbraw/zinc/52/65/99/532526599.db2.gz FQKNEWOSXGIIFJ-WFASDCNBSA-N 1 2 379.507 2.079 20 30 GEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000594774501 532526601 /nfs/dbraw/zinc/52/66/01/532526601.db2.gz FQKNEWOSXGIIFJ-WFASDCNBSA-N 1 2 379.507 2.079 20 30 GEEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ncc(Br)cn1 ZINC000432985053 532551674 /nfs/dbraw/zinc/55/16/74/532551674.db2.gz OOETWKBLMYXNPK-NSHDSACASA-N 1 2 395.282 2.235 20 30 GEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(OC)ccc3Br)n2C)CC1 ZINC000283764699 532554813 /nfs/dbraw/zinc/55/48/13/532554813.db2.gz IHSWLRZDERIPCZ-UHFFFAOYSA-N 1 2 390.285 2.008 20 30 GEEDLO Cc1nn(C)c(N2CCN(c3nc(C)[nH+]c(C)c3Br)CC2)c1C#N ZINC000596204637 532590947 /nfs/dbraw/zinc/59/09/47/532590947.db2.gz BVDSKZWNJJOBPB-UHFFFAOYSA-N 1 2 390.289 2.096 20 30 GEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528783966 532580912 /nfs/dbraw/zinc/58/09/12/532580912.db2.gz ILZDQOCWXSMQLL-HQQMLKRNSA-N 1 2 377.535 2.421 20 30 GEEDLO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528783966 532580918 /nfs/dbraw/zinc/58/09/18/532580918.db2.gz ILZDQOCWXSMQLL-HQQMLKRNSA-N 1 2 377.535 2.421 20 30 GEEDLO C#CC[N@@H+](CCN1CCNC1=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000377569168 532661767 /nfs/dbraw/zinc/66/17/67/532661767.db2.gz VBPXHPOTOUEGDJ-HNNXBMFYSA-N 1 2 378.270 2.233 20 30 GEEDLO C#CC[N@H+](CCN1CCNC1=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000377569168 532661772 /nfs/dbraw/zinc/66/17/72/532661772.db2.gz VBPXHPOTOUEGDJ-HNNXBMFYSA-N 1 2 378.270 2.233 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000488008523 532698625 /nfs/dbraw/zinc/69/86/25/532698625.db2.gz LJZURAMBWZADCR-INIZCTEOSA-N 1 2 385.917 2.084 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000488008523 532698631 /nfs/dbraw/zinc/69/86/31/532698631.db2.gz LJZURAMBWZADCR-INIZCTEOSA-N 1 2 385.917 2.084 20 30 GEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc(Br)c2)C1=O ZINC000499957981 532729117 /nfs/dbraw/zinc/72/91/17/532729117.db2.gz VDEJPOOYBLZMPP-DOMZBBRYSA-N 1 2 380.286 2.495 20 30 GEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc(Br)c2)C1=O ZINC000499957981 532729124 /nfs/dbraw/zinc/72/91/24/532729124.db2.gz VDEJPOOYBLZMPP-DOMZBBRYSA-N 1 2 380.286 2.495 20 30 GEEDLO C=CCN1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Br)c(C)c2)C1=O ZINC000500008473 532730746 /nfs/dbraw/zinc/73/07/46/532730746.db2.gz BOAFSWBQFXAURB-OAHLLOKOSA-N 1 2 380.286 2.415 20 30 GEEDLO C=CCN1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Br)c(C)c2)C1=O ZINC000500008473 532730752 /nfs/dbraw/zinc/73/07/52/532730752.db2.gz BOAFSWBQFXAURB-OAHLLOKOSA-N 1 2 380.286 2.415 20 30 GEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000301641999 532756299 /nfs/dbraw/zinc/75/62/99/532756299.db2.gz ZDEBVTDNPPOELC-UHFFFAOYSA-N 1 2 375.416 2.498 20 30 GEEDLO Cn1cc([C@@H]2C[N@H+](Cc3ccc(Br)cc3C#N)C[C@H]2CO)cn1 ZINC000287647304 532804637 /nfs/dbraw/zinc/80/46/37/532804637.db2.gz GMWSFDITVTUNBT-RDJZCZTQSA-N 1 2 375.270 2.262 20 30 GEEDLO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(Br)cc3C#N)C[C@H]2CO)cn1 ZINC000287647304 532804640 /nfs/dbraw/zinc/80/46/40/532804640.db2.gz GMWSFDITVTUNBT-RDJZCZTQSA-N 1 2 375.270 2.262 20 30 GEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@H]1C ZINC000416457619 532877802 /nfs/dbraw/zinc/87/78/02/532877802.db2.gz XYCMJVAXMSKTHQ-VXGBXAGGSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@H]1C ZINC000416457619 532877806 /nfs/dbraw/zinc/87/78/06/532877806.db2.gz XYCMJVAXMSKTHQ-VXGBXAGGSA-N 1 2 386.315 2.424 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000292997984 532920953 /nfs/dbraw/zinc/92/09/53/532920953.db2.gz OPFSUYKTRXRMPH-HNNXBMFYSA-N 1 2 376.258 2.242 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000292997984 532920954 /nfs/dbraw/zinc/92/09/54/532920954.db2.gz OPFSUYKTRXRMPH-HNNXBMFYSA-N 1 2 376.258 2.242 20 30 GEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](c2ccccn2)CC1=O ZINC000735426253 598828243 /nfs/dbraw/zinc/82/82/43/598828243.db2.gz NBXJVPHBTVYVJA-GOSISDBHSA-N 1 2 389.463 2.223 20 30 GEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](c2ccccn2)CC1=O ZINC000735426253 598828245 /nfs/dbraw/zinc/82/82/45/598828245.db2.gz NBXJVPHBTVYVJA-GOSISDBHSA-N 1 2 389.463 2.223 20 30 GEEDLO N#Cc1ccc(OCC[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826386216 608066874 /nfs/dbraw/zinc/06/68/74/608066874.db2.gz UOJSUIQAMLRZQS-LJQANCHMSA-N 1 2 376.420 2.191 20 30 GEEDLO N#Cc1ccc(OCC[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000826386216 608066875 /nfs/dbraw/zinc/06/68/75/608066875.db2.gz UOJSUIQAMLRZQS-LJQANCHMSA-N 1 2 376.420 2.191 20 30 GEEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1C#N ZINC000826195407 608067404 /nfs/dbraw/zinc/06/74/04/608067404.db2.gz SLRLRUCNUWTZFN-LJQANCHMSA-N 1 2 376.420 2.320 20 30 GEEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1C#N ZINC000826195407 608067405 /nfs/dbraw/zinc/06/74/05/608067405.db2.gz SLRLRUCNUWTZFN-LJQANCHMSA-N 1 2 376.420 2.320 20 30 GEEDLO N#Cc1cccc([C@@H]2C[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826386459 608070525 /nfs/dbraw/zinc/07/05/25/608070525.db2.gz GFJASWOVSOFEBG-IBGZPJMESA-N 1 2 376.420 2.191 20 30 GEEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826386459 608070526 /nfs/dbraw/zinc/07/05/26/608070526.db2.gz GFJASWOVSOFEBG-IBGZPJMESA-N 1 2 376.420 2.191 20 30 GEEDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000450247168 650062865 /nfs/dbraw/zinc/06/28/65/650062865.db2.gz SRMWRDDRVPRCIX-LBPRGKRZSA-N 1 2 389.253 2.449 20 30 GEEDLO CC(C)(CC#N)CS(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000451459590 650116920 /nfs/dbraw/zinc/11/69/20/650116920.db2.gz HKGLGHAABNTQGJ-KRWDZBQOSA-N 1 2 381.567 2.463 20 30 GEEDLO CC(C)(CC#N)CS(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000451459590 650116922 /nfs/dbraw/zinc/11/69/22/650116922.db2.gz HKGLGHAABNTQGJ-KRWDZBQOSA-N 1 2 381.567 2.463 20 30 GEEDLO Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000524450886 650641715 /nfs/dbraw/zinc/64/17/15/650641715.db2.gz LRURMENFDYTKIM-UHFFFAOYSA-N 1 2 375.519 2.477 20 30 GEEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc(Br)c(C#N)cc1F ZINC000528126395 650685757 /nfs/dbraw/zinc/68/57/57/650685757.db2.gz AARPRWDJRGFGRN-QGZVFWFLSA-N 1 2 398.276 2.488 20 30 GEEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc(Br)c(C#N)cc1F ZINC000528126395 650685760 /nfs/dbraw/zinc/68/57/60/650685760.db2.gz AARPRWDJRGFGRN-QGZVFWFLSA-N 1 2 398.276 2.488 20 30 GEEDLO N#Cc1cc(Br)cc(S(=O)(=O)NCCCCn2cc[nH+]c2)c1 ZINC000539373244 650843778 /nfs/dbraw/zinc/84/37/78/650843778.db2.gz IONBVZYUJFLKBK-UHFFFAOYSA-N 1 2 383.271 2.276 20 30 GEEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000499056711 650872658 /nfs/dbraw/zinc/87/26/58/650872658.db2.gz RUVKIQWFZYYEDH-CYBMUJFWSA-N 1 2 379.507 2.411 20 30 GEEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000499056711 650872662 /nfs/dbraw/zinc/87/26/62/650872662.db2.gz RUVKIQWFZYYEDH-CYBMUJFWSA-N 1 2 379.507 2.411 20 30 GEEDLO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156113864 644084665 /nfs/dbraw/zinc/08/46/65/644084665.db2.gz QMTTXWFZVWBHGY-OAHLLOKOSA-N 1 2 389.253 2.320 20 30 GEEDLO C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156113864 644084669 /nfs/dbraw/zinc/08/46/69/644084669.db2.gz QMTTXWFZVWBHGY-OAHLLOKOSA-N 1 2 389.253 2.320 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000190375894 645155623 /nfs/dbraw/zinc/15/56/23/645155623.db2.gz KECPYUTXPCQVSN-SFHVURJKSA-N 1 2 384.929 2.064 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000190375894 645155625 /nfs/dbraw/zinc/15/56/25/645155625.db2.gz KECPYUTXPCQVSN-SFHVURJKSA-N 1 2 384.929 2.064 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000278974856 646568206 /nfs/dbraw/zinc/56/82/06/646568206.db2.gz YHKZPMUOAFCVLA-OAHLLOKOSA-N 1 2 398.326 2.321 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000278974856 646568209 /nfs/dbraw/zinc/56/82/09/646568209.db2.gz YHKZPMUOAFCVLA-OAHLLOKOSA-N 1 2 398.326 2.321 20 30 GEEDLO C[C@H]([C@H](C)NC(=O)c1cc(Br)cnc1N(C)C)[NH+]1CCOCC1 ZINC000330762446 647351950 /nfs/dbraw/zinc/35/19/50/647351950.db2.gz OBUUYPJVFNZCJF-NWDGAFQWSA-N 1 2 385.306 2.324 20 30 GEEDLO C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000408458306 647955303 /nfs/dbraw/zinc/95/53/03/647955303.db2.gz FDZDEZMDBUDFRI-UWVGGRQHSA-N 1 2 390.278 2.173 20 30 GEEDLO C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000408458306 647955305 /nfs/dbraw/zinc/95/53/05/647955305.db2.gz FDZDEZMDBUDFRI-UWVGGRQHSA-N 1 2 390.278 2.173 20 30 GEEDLO N#Cc1cc(NC(=O)C(=O)NCCCCn2cc[nH+]c2)ccc1Br ZINC000555871815 651231832 /nfs/dbraw/zinc/23/18/32/651231832.db2.gz CPQYVISYKCJAEF-UHFFFAOYSA-N 1 2 390.241 2.052 20 30 GEEDLO N#Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)ncc1Br ZINC000603278846 651475874 /nfs/dbraw/zinc/47/58/74/651475874.db2.gz UBIWFLHPPYURSM-HNNXBMFYSA-N 1 2 383.315 2.336 20 30 GEEDLO C#CCC[NH+]1CCN(S(=O)(=O)/C=C\c2ccccc2Br)CC1 ZINC000727454363 651522083 /nfs/dbraw/zinc/52/20/83/651522083.db2.gz DGFQWEWVNXRCHX-ZSOIEALJSA-N 1 2 383.311 2.391 20 30 GEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000563419613 651524437 /nfs/dbraw/zinc/52/44/37/651524437.db2.gz YCYLCKMVKYOZJZ-HNNXBMFYSA-N 1 2 383.901 2.087 20 30 GEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000568662773 651675087 /nfs/dbraw/zinc/67/50/87/651675087.db2.gz JZOWVPJLLXKMJD-INIZCTEOSA-N 1 2 383.901 2.087 20 30 GEEDLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000577005423 652162115 /nfs/dbraw/zinc/16/21/15/652162115.db2.gz XGZYFJLMXSLISR-ZDUSSCGKSA-N 1 2 383.901 2.085 20 30 GEEDLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000577005423 652162131 /nfs/dbraw/zinc/16/21/31/652162131.db2.gz XGZYFJLMXSLISR-ZDUSSCGKSA-N 1 2 383.901 2.085 20 30 GEEDLO N#Cc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000750397730 652293121 /nfs/dbraw/zinc/29/31/21/652293121.db2.gz RFZLBECCDNNTEW-UHFFFAOYSA-N 1 2 375.475 2.182 20 30 GEEDLO CC#CC[NH2+]Cc1cn(Cc2cc3c(cc2Br)OCCCO3)nn1 ZINC000641120202 653159440 /nfs/dbraw/zinc/15/94/40/653159440.db2.gz BLWVISLSHDZSKA-UHFFFAOYSA-N 1 2 391.269 2.363 20 30 GEEDLO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1nn(C)cc1I ZINC000602684212 653200595 /nfs/dbraw/zinc/20/05/95/653200595.db2.gz MXOJHFUAVWXFOT-LLVKDONJSA-N 1 2 388.253 2.213 20 30 GEEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@H]2CCSC2)cc1Cl ZINC000773980173 653219679 /nfs/dbraw/zinc/21/96/79/653219679.db2.gz NUGFACBTEHEMDA-STQMWFEESA-N 1 2 381.885 2.433 20 30 GEEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@H]2CCSC2)cc1Cl ZINC000773980173 653219686 /nfs/dbraw/zinc/21/96/86/653219686.db2.gz NUGFACBTEHEMDA-STQMWFEESA-N 1 2 381.885 2.433 20 30 GEEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000779597800 653508775 /nfs/dbraw/zinc/50/87/75/653508775.db2.gz WGFMPOUTPVWANM-MRXNPFEDSA-N 1 2 393.285 2.084 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838247963 653614681 /nfs/dbraw/zinc/61/46/81/653614681.db2.gz NPQSIDHGNPJHAX-BETUJISGSA-N 1 2 395.253 2.106 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000838247963 653614682 /nfs/dbraw/zinc/61/46/82/653614682.db2.gz NPQSIDHGNPJHAX-BETUJISGSA-N 1 2 395.253 2.106 20 30 GEEDLO CN1C(=O)CN(N=C2CC[N@H+](C)[C@H](c3ccc(Br)cc3)C2)C1=O ZINC000863106291 653702193 /nfs/dbraw/zinc/70/21/93/653702193.db2.gz UJTCKLGDEHRIQL-AWEZNQCLSA-N 1 2 379.258 2.466 20 30 GEEDLO CN1C(=O)CN(N=C2CC[N@@H+](C)[C@H](c3ccc(Br)cc3)C2)C1=O ZINC000863106291 653702195 /nfs/dbraw/zinc/70/21/95/653702195.db2.gz UJTCKLGDEHRIQL-AWEZNQCLSA-N 1 2 379.258 2.466 20 30 GEEDLO C[NH+](C)CCCNC(=O)CC1SC(=Nc2ccsc2)N(C2CC2)C1=O ZINC000790740929 653796428 /nfs/dbraw/zinc/79/64/28/653796428.db2.gz GIQPNHQTBZFYJQ-CQSZACIVSA-N 1 2 380.539 2.300 20 30 GEEDLO C[NH+](C)CCCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(C2CC2)C1=O ZINC000790740929 653796431 /nfs/dbraw/zinc/79/64/31/653796431.db2.gz GIQPNHQTBZFYJQ-CQSZACIVSA-N 1 2 380.539 2.300 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000884065751 653862125 /nfs/dbraw/zinc/86/21/25/653862125.db2.gz XWWJUVWYPJWQCD-JTQLQIEISA-N 1 2 391.649 2.496 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)c1ccc(Br)cc1 ZINC000884092875 653863052 /nfs/dbraw/zinc/86/30/52/653863052.db2.gz SBFASHCYAAAPFN-AWEZNQCLSA-N 1 2 383.286 2.290 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cc(Cl)ccc1Br ZINC000884372619 653874337 /nfs/dbraw/zinc/87/43/37/653874337.db2.gz QRZNUEZOYUAFRN-LBPRGKRZSA-N 1 2 375.650 2.165 20 30 GEEDLO C#C[C@H]([NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@H]1CCCO1 ZINC000794814716 653920930 /nfs/dbraw/zinc/92/09/30/653920930.db2.gz NCMLTPCSBJTBFB-BIGNPOOSSA-N 1 2 377.293 2.472 20 30 GEEDLO C#C[C@H]([NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000794814720 653921072 /nfs/dbraw/zinc/92/10/72/653921072.db2.gz NCMLTPCSBJTBFB-HERUPUMHSA-N 1 2 377.293 2.472 20 30 GEEDLO C/C(=C/C(=O)N[C@@H](C#N)c1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000900111583 654050641 /nfs/dbraw/zinc/05/06/41/654050641.db2.gz AVITZOAGLYDISC-DDKJEQMHSA-N 1 2 378.270 2.408 20 30 GEEDLO C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932947131 654795769 /nfs/dbraw/zinc/79/57/69/654795769.db2.gz ZAEAYWIKJMULQA-DJLDLDEBSA-N 1 2 378.263 2.227 20 30 GEEDLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)Cc2csc(C#N)c2)C[C@H](C)O1 ZINC000913967951 654819305 /nfs/dbraw/zinc/81/93/05/654819305.db2.gz DTMYFMMLSWPAPP-IJEWVQPXSA-N 1 2 383.539 2.023 20 30 GEEDLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)Cc2csc(C#N)c2)C[C@H](C)O1 ZINC000913967951 654819306 /nfs/dbraw/zinc/81/93/06/654819306.db2.gz DTMYFMMLSWPAPP-IJEWVQPXSA-N 1 2 383.539 2.023 20 30 GEEDLO C=CCNc1nnc(S(=O)(=O)Cc2[nH+]ccn2Cc2ccccc2)s1 ZINC000484025540 531415833 /nfs/dbraw/zinc/41/58/33/531415833.db2.gz WUTZKBPDGVRZNX-UHFFFAOYSA-N 1 2 375.479 2.355 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+](C)CCS(C)(=O)=O)cc1OC ZINC000155172736 531661494 /nfs/dbraw/zinc/66/14/94/531661494.db2.gz NGRCXHZKSFOMLG-UHFFFAOYSA-N 1 2 392.315 2.499 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+](C)CCS(C)(=O)=O)cc1OC ZINC000155172736 531661498 /nfs/dbraw/zinc/66/14/98/531661498.db2.gz NGRCXHZKSFOMLG-UHFFFAOYSA-N 1 2 392.315 2.499 20 30 GEEDLO COC(=O)CC[N@H+](Cc1ccc(C#N)cc1Br)CC(OC)OC ZINC000156213070 531720666 /nfs/dbraw/zinc/72/06/66/531720666.db2.gz DOTJSWMBRRQLHC-UHFFFAOYSA-N 1 2 385.258 2.305 20 30 GEEDLO COC(=O)CC[N@@H+](Cc1ccc(C#N)cc1Br)CC(OC)OC ZINC000156213070 531720668 /nfs/dbraw/zinc/72/06/68/531720668.db2.gz DOTJSWMBRRQLHC-UHFFFAOYSA-N 1 2 385.258 2.305 20 30 GEEDLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@@H+]1CCOC ZINC000166020507 531875785 /nfs/dbraw/zinc/87/57/85/531875785.db2.gz APSJGVAGBZXQRN-MRXNPFEDSA-N 1 2 385.917 2.333 20 30 GEEDLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@H+]1CCOC ZINC000166020507 531875791 /nfs/dbraw/zinc/87/57/91/531875791.db2.gz APSJGVAGBZXQRN-MRXNPFEDSA-N 1 2 385.917 2.333 20 30 GEEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000179808257 532244826 /nfs/dbraw/zinc/24/48/26/532244826.db2.gz IKYUCQNGKLFWDV-UHFFFAOYSA-N 1 2 380.495 2.121 20 30 GEEDLO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000179808257 532244828 /nfs/dbraw/zinc/24/48/28/532244828.db2.gz IKYUCQNGKLFWDV-UHFFFAOYSA-N 1 2 380.495 2.121 20 30 GEEDLO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Br)cc2O)c1C#N ZINC000133549937 532237380 /nfs/dbraw/zinc/23/73/80/532237380.db2.gz VBTZGTGRBMIEBT-UHFFFAOYSA-N 1 2 378.230 2.154 20 30 GEEDLO CC(C)C[C@@H](CNS(=O)(=O)c1cc(C#N)ccc1Cl)[NH+]1CCOCC1 ZINC000186231873 532340195 /nfs/dbraw/zinc/34/01/95/532340195.db2.gz DEULQHMSNOPDBE-HNNXBMFYSA-N 1 2 385.917 2.237 20 30 GEEDLO COC(=O)CC[N@H+](Cc1cc(C#N)ccc1Br)CC(OC)OC ZINC000191823568 532370468 /nfs/dbraw/zinc/37/04/68/532370468.db2.gz ARIVBXIYFRMTKG-UHFFFAOYSA-N 1 2 385.258 2.305 20 30 GEEDLO COC(=O)CC[N@@H+](Cc1cc(C#N)ccc1Br)CC(OC)OC ZINC000191823568 532370476 /nfs/dbraw/zinc/37/04/76/532370476.db2.gz ARIVBXIYFRMTKG-UHFFFAOYSA-N 1 2 385.258 2.305 20 30 GEEDLO N#C[C@]1(F)CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000590859736 532390364 /nfs/dbraw/zinc/39/03/64/532390364.db2.gz TZGMPSKBAOACDH-OAHLLOKOSA-N 1 2 398.236 2.150 20 30 GEEDLO N#CCc1ccc(CS(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000518368923 532440249 /nfs/dbraw/zinc/44/02/49/532440249.db2.gz ORPMHKBWELBKPS-UHFFFAOYSA-N 1 2 375.519 2.292 20 30 GEEDLO N#CCc1ccc(CS(=O)(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000518368923 532440254 /nfs/dbraw/zinc/44/02/54/532440254.db2.gz ORPMHKBWELBKPS-UHFFFAOYSA-N 1 2 375.519 2.292 20 30 GEEDLO CCOc1c(Br)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1OC ZINC000593155550 532473524 /nfs/dbraw/zinc/47/35/24/532473524.db2.gz AITGHMSVHQVJAY-INIZCTEOSA-N 1 2 384.274 2.430 20 30 GEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccco1 ZINC000432940561 532550502 /nfs/dbraw/zinc/55/05/02/532550502.db2.gz YFUZVCNHBWVVQV-AWEZNQCLSA-N 1 2 398.282 2.495 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc2ccccn2c1Br ZINC000284343863 532588688 /nfs/dbraw/zinc/58/86/88/532588688.db2.gz YAKYOFKGSZTXFB-UHFFFAOYSA-N 1 2 392.301 2.145 20 30 GEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000566306452 532603160 /nfs/dbraw/zinc/60/31/60/532603160.db2.gz QCJKAHMSJJWHKR-INIZCTEOSA-N 1 2 376.258 2.208 20 30 GEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccnc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000567009943 532635971 /nfs/dbraw/zinc/63/59/71/532635971.db2.gz HNCGEENVFSQDIC-YOEHRIQHSA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccnc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000567009943 532635975 /nfs/dbraw/zinc/63/59/75/532635975.db2.gz HNCGEENVFSQDIC-YOEHRIQHSA-N 1 2 376.869 2.330 20 30 GEEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000285231459 532660702 /nfs/dbraw/zinc/66/07/02/532660702.db2.gz BBTGJBYKVJRWSM-AWEZNQCLSA-N 1 2 386.315 2.177 20 30 GEEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000285231459 532660706 /nfs/dbraw/zinc/66/07/06/532660706.db2.gz BBTGJBYKVJRWSM-AWEZNQCLSA-N 1 2 386.315 2.177 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(F)cc(Br)c1 ZINC000299517170 532722881 /nfs/dbraw/zinc/72/28/81/532722881.db2.gz KKBLVNDCMRWHMS-UHFFFAOYSA-N 1 2 384.249 2.276 20 30 GEEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539114931 532723875 /nfs/dbraw/zinc/72/38/75/532723875.db2.gz QGVLWUYMCDGOQA-HOTGVXAUSA-N 1 2 388.896 2.294 20 30 GEEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)N(C)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539114931 532723880 /nfs/dbraw/zinc/72/38/80/532723880.db2.gz QGVLWUYMCDGOQA-HOTGVXAUSA-N 1 2 388.896 2.294 20 30 GEEDLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)N(C)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539114933 532724028 /nfs/dbraw/zinc/72/40/28/532724028.db2.gz QGVLWUYMCDGOQA-HZPDHXFCSA-N 1 2 388.896 2.294 20 30 GEEDLO CC[N@H+]1CC[C@@H](NS(=O)(=O)N(C)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539114933 532724033 /nfs/dbraw/zinc/72/40/33/532724033.db2.gz QGVLWUYMCDGOQA-HZPDHXFCSA-N 1 2 388.896 2.294 20 30 GEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000539172078 532724991 /nfs/dbraw/zinc/72/49/91/532724991.db2.gz GDAFCBMDRXBWJO-UHFFFAOYSA-N 1 2 378.763 2.449 20 30 GEEDLO Cc1cccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c1C#N ZINC000441988916 532727505 /nfs/dbraw/zinc/72/75/05/532727505.db2.gz RCUPHHFLWGXVCA-UHFFFAOYSA-N 1 2 375.519 2.477 20 30 GEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1=O ZINC000500017231 532730877 /nfs/dbraw/zinc/73/08/77/532730877.db2.gz IXLLACQKABAQJD-CVEARBPZSA-N 1 2 392.297 2.273 20 30 GEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1=O ZINC000500017231 532730882 /nfs/dbraw/zinc/73/08/82/532730882.db2.gz IXLLACQKABAQJD-CVEARBPZSA-N 1 2 392.297 2.273 20 30 GEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301350428 532749642 /nfs/dbraw/zinc/74/96/42/532749642.db2.gz ISRVXXYPNZQKAL-UHFFFAOYSA-N 1 2 375.416 2.498 20 30 GEEDLO N#Cc1ccsc1NC(=O)CC[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000512185810 532776649 /nfs/dbraw/zinc/77/66/49/532776649.db2.gz ZHIAIEKXKSWTSF-UHFFFAOYSA-N 1 2 378.395 2.466 20 30 GEEDLO COc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc(OC)c1Br ZINC000330679510 532825254 /nfs/dbraw/zinc/82/52/54/532825254.db2.gz DPYMQMZPTSIGDV-NSHDSACASA-N 1 2 388.262 2.123 20 30 GEEDLO COc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc(OC)c1Br ZINC000330679510 532825256 /nfs/dbraw/zinc/82/52/56/532825256.db2.gz DPYMQMZPTSIGDV-NSHDSACASA-N 1 2 388.262 2.123 20 30 GEEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)Cn1cc[nH+]c1 ZINC000414471016 532830632 /nfs/dbraw/zinc/83/06/32/532830632.db2.gz PZEBJRCRTHGLAN-LLVKDONJSA-N 1 2 383.271 2.132 20 30 GEEDLO Cc1ccc(I)cc1NC(=O)NCC[NH+]1CCOCC1 ZINC000331140694 532834216 /nfs/dbraw/zinc/83/42/16/532834216.db2.gz XEWWQTRJCZMJQH-UHFFFAOYSA-N 1 2 389.237 2.258 20 30 GEEDLO Cc1ncc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1C#N ZINC000332097113 532848829 /nfs/dbraw/zinc/84/88/29/532848829.db2.gz PZLMQDUOVTYZEX-LBPRGKRZSA-N 1 2 376.507 2.048 20 30 GEEDLO Cc1ncc(S(=O)(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1C#N ZINC000332097113 532848830 /nfs/dbraw/zinc/84/88/30/532848830.db2.gz PZLMQDUOVTYZEX-LBPRGKRZSA-N 1 2 376.507 2.048 20 30 GEEDLO Cn1nc(Br)cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277030354 532906229 /nfs/dbraw/zinc/90/62/29/532906229.db2.gz FETBZMHVDFUAPF-UHFFFAOYSA-N 1 2 388.269 2.012 20 30 GEEDLO CC(C)(C#N)CCS(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000367704930 532926797 /nfs/dbraw/zinc/92/67/97/532926797.db2.gz LWIXNYZIEWNMIC-QGZVFWFLSA-N 1 2 381.567 2.463 20 30 GEEDLO CC(C)(C#N)CCS(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000367704930 532926799 /nfs/dbraw/zinc/92/67/99/532926799.db2.gz LWIXNYZIEWNMIC-QGZVFWFLSA-N 1 2 381.567 2.463 20 30 GEEDLO N#CCCn1ncc2c1nc[nH+]c2N(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000737695996 598815895 /nfs/dbraw/zinc/81/58/95/598815895.db2.gz YRMUULHKQCBSGS-UHFFFAOYSA-N 1 2 386.423 2.089 20 30 GEEDLO Clc1cccc(C#CC[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)c1 ZINC000826353620 607517760 /nfs/dbraw/zinc/51/77/60/607517760.db2.gz XCLVTFVZJZBOKS-UHFFFAOYSA-N 1 2 379.855 2.089 20 30 GEEDLO N#Cc1cc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)ccc1F ZINC000822819121 606964414 /nfs/dbraw/zinc/96/44/14/606964414.db2.gz LBCUDNUBCWOCGK-UHFFFAOYSA-N 1 2 381.390 2.339 20 30 GEEDLO N#Cc1cccc(CN2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)c1F ZINC000826386657 608385345 /nfs/dbraw/zinc/38/53/45/608385345.db2.gz NLHRPVDCRFUPEY-UHFFFAOYSA-N 1 2 395.417 2.334 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824040482 608465229 /nfs/dbraw/zinc/46/52/29/608465229.db2.gz QNTYWORCEVAWIO-YCRPNKLZSA-N 1 2 393.495 2.399 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824040482 608465231 /nfs/dbraw/zinc/46/52/31/608465231.db2.gz QNTYWORCEVAWIO-YCRPNKLZSA-N 1 2 393.495 2.399 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824040475 608465508 /nfs/dbraw/zinc/46/55/08/608465508.db2.gz QNTYWORCEVAWIO-BTYIYWSLSA-N 1 2 393.495 2.399 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824040475 608465510 /nfs/dbraw/zinc/46/55/10/608465510.db2.gz QNTYWORCEVAWIO-BTYIYWSLSA-N 1 2 393.495 2.399 20 30 GEEDLO N#Cc1ccc(N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)c(F)c1 ZINC000826385364 608649347 /nfs/dbraw/zinc/64/93/47/608649347.db2.gz IYFROZWYVHLVPQ-UHFFFAOYSA-N 1 2 381.390 2.339 20 30 GEEDLO C[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C(C)(C)C1 ZINC000451368178 650107948 /nfs/dbraw/zinc/10/79/48/650107948.db2.gz KZMVTCSWJJXCPG-UHFFFAOYSA-N 1 2 390.278 2.175 20 30 GEEDLO C[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C(C)(C)C1 ZINC000451368178 650107950 /nfs/dbraw/zinc/10/79/50/650107950.db2.gz KZMVTCSWJJXCPG-UHFFFAOYSA-N 1 2 390.278 2.175 20 30 GEEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000451933638 650154893 /nfs/dbraw/zinc/15/48/93/650154893.db2.gz OKHIFQHROYOWAF-GFCCVEGCSA-N 1 2 386.315 2.426 20 30 GEEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000451933638 650154894 /nfs/dbraw/zinc/15/48/94/650154894.db2.gz OKHIFQHROYOWAF-GFCCVEGCSA-N 1 2 386.315 2.426 20 30 GEEDLO C=CCn1c(-c2cccc(Cl)c2)nnc1S(=O)(=O)Cc1c[nH+]cn1C ZINC000507501258 650461724 /nfs/dbraw/zinc/46/17/24/650461724.db2.gz MTUDUZZLDKCDNM-UHFFFAOYSA-N 1 2 377.857 2.492 20 30 GEEDLO Cn1cc(Br)cc1C[N@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000468105141 650503960 /nfs/dbraw/zinc/50/39/60/650503960.db2.gz VJKWZYGBCGEGMF-UHFFFAOYSA-N 1 2 375.270 2.407 20 30 GEEDLO Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000468105141 650503965 /nfs/dbraw/zinc/50/39/65/650503965.db2.gz VJKWZYGBCGEGMF-UHFFFAOYSA-N 1 2 375.270 2.407 20 30 GEEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000470726605 650516317 /nfs/dbraw/zinc/51/63/17/650516317.db2.gz NMYVLVOXRZNJDV-UHFFFAOYSA-N 1 2 378.416 2.003 20 30 GEEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000470716435 650516347 /nfs/dbraw/zinc/51/63/47/650516347.db2.gz LYEXZIWVHXDIIL-UHFFFAOYSA-N 1 2 376.881 2.378 20 30 GEEDLO C=CC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000092361062 643069844 /nfs/dbraw/zinc/06/98/44/643069844.db2.gz DYHOUXSWZBFMNK-CYBMUJFWSA-N 1 2 390.299 2.338 20 30 GEEDLO C=CC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000092361062 643069857 /nfs/dbraw/zinc/06/98/57/643069857.db2.gz DYHOUXSWZBFMNK-CYBMUJFWSA-N 1 2 390.299 2.338 20 30 GEEDLO N#Cc1ccc([C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C(N)=O)cc1 ZINC000115598337 643443949 /nfs/dbraw/zinc/44/39/49/643443949.db2.gz OOMWBGRLFVRYDD-HNNXBMFYSA-N 1 2 388.221 2.366 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Br)cc2c1OCC2 ZINC000153680059 643999839 /nfs/dbraw/zinc/99/98/39/643999839.db2.gz DEBJHDBCAHYRQQ-UHFFFAOYSA-N 1 2 394.313 2.432 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(C#N)cc1Br ZINC000181132575 644524826 /nfs/dbraw/zinc/52/48/26/644524826.db2.gz YDPFWLOTEXYREO-UHFFFAOYSA-N 1 2 377.286 2.369 20 30 GEEDLO C#CCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000270684422 646128852 /nfs/dbraw/zinc/12/88/52/646128852.db2.gz ZDQPUSLTQZZKHE-UHFFFAOYSA-N 1 2 377.329 2.230 20 30 GEEDLO C#CCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000270684422 646128859 /nfs/dbraw/zinc/12/88/59/646128859.db2.gz ZDQPUSLTQZZKHE-UHFFFAOYSA-N 1 2 377.329 2.230 20 30 GEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@@H]1C ZINC000408040110 647921047 /nfs/dbraw/zinc/92/10/47/647921047.db2.gz CZEZIKZFGSBHRE-NWDGAFQWSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@@H]1C ZINC000408040110 647921051 /nfs/dbraw/zinc/92/10/51/647921051.db2.gz CZEZIKZFGSBHRE-NWDGAFQWSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000408395679 647952005 /nfs/dbraw/zinc/95/20/05/647952005.db2.gz NFZDKPXVTJTXEL-RYUDHWBXSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@@H]1C ZINC000408395679 647952007 /nfs/dbraw/zinc/95/20/07/647952007.db2.gz NFZDKPXVTJTXEL-RYUDHWBXSA-N 1 2 386.315 2.424 20 30 GEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416431062 648125377 /nfs/dbraw/zinc/12/53/77/648125377.db2.gz GRLVPKUSKNSSLB-UHFFFAOYSA-N 1 2 383.271 2.228 20 30 GEEDLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(Br)c1C#N)c1ccco1 ZINC000550826108 651115455 /nfs/dbraw/zinc/11/54/55/651115455.db2.gz BVOVTBNNAYBVQQ-ZDUSSCGKSA-N 1 2 398.282 2.495 20 30 GEEDLO Cc1cc(Br)cc2c1NC(=O)C2=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753936155 652421112 /nfs/dbraw/zinc/42/11/12/652421112.db2.gz RXGCRLRMNGVUDG-RYUDHWBXSA-N 1 2 376.258 2.274 20 30 GEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]2CS(=O)(=O)NC)cc1OC ZINC000628187405 652454269 /nfs/dbraw/zinc/45/42/69/652454269.db2.gz PECBKRCERUFYIT-AWEZNQCLSA-N 1 2 388.917 2.427 20 30 GEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)cc1OC ZINC000628187405 652454273 /nfs/dbraw/zinc/45/42/73/652454273.db2.gz PECBKRCERUFYIT-AWEZNQCLSA-N 1 2 388.917 2.427 20 30 GEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](S(=O)(=O)NCC)C2)cc1OC ZINC000628235331 652455645 /nfs/dbraw/zinc/45/56/45/652455645.db2.gz IPFAJTDFNNHQNO-CQSZACIVSA-N 1 2 388.917 2.427 20 30 GEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NCC)C2)cc1OC ZINC000628235331 652455647 /nfs/dbraw/zinc/45/56/47/652455647.db2.gz IPFAJTDFNNHQNO-CQSZACIVSA-N 1 2 388.917 2.427 20 30 GEEDLO N#Cc1csc(C[NH2+]CC(=O)Nc2ccc(I)cc2)n1 ZINC000582672565 652458546 /nfs/dbraw/zinc/45/85/46/652458546.db2.gz QZXNESBLRLIBRS-UHFFFAOYSA-N 1 2 398.229 2.348 20 30 GEEDLO CC(C)(CNS(=O)(=O)c1cc(Br)cc(C#N)c1)n1cc[nH+]c1 ZINC000601527537 653107217 /nfs/dbraw/zinc/10/72/17/653107217.db2.gz VMXPQNDUFXVNNJ-UHFFFAOYSA-N 1 2 383.271 2.231 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602884199 653211787 /nfs/dbraw/zinc/21/17/87/653211787.db2.gz WDMSZFXYOZLEBB-PBHICJAKSA-N 1 2 395.301 2.352 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602884199 653211796 /nfs/dbraw/zinc/21/17/96/653211796.db2.gz WDMSZFXYOZLEBB-PBHICJAKSA-N 1 2 395.301 2.352 20 30 GEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2c(Br)cccc2C#N)CC1 ZINC000865427713 653765138 /nfs/dbraw/zinc/76/51/38/653765138.db2.gz IAQRQLSWNBURBZ-UHFFFAOYSA-N 1 2 398.268 2.324 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000884166214 653866715 /nfs/dbraw/zinc/86/67/15/653866715.db2.gz XIOHKJZPVVOVBZ-YGRLFVJLSA-N 1 2 387.249 2.082 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)c1ccccc1Br ZINC000884326414 653872376 /nfs/dbraw/zinc/87/23/76/653872376.db2.gz RSCMPQXHXKEVBO-AWEZNQCLSA-N 1 2 383.286 2.290 20 30 GEEDLO Cn1c(CC#N)nn(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1=S ZINC000794617340 653913661 /nfs/dbraw/zinc/91/36/61/653913661.db2.gz VXIPLYNXNMMMDZ-UHFFFAOYSA-N 1 2 376.917 2.446 20 30 GEEDLO N#CC1(C[C@@H](O)C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)CCC1 ZINC000886144718 653967864 /nfs/dbraw/zinc/96/78/64/653967864.db2.gz FNJXAWADBBHCSD-LLVKDONJSA-N 1 2 375.420 2.124 20 30 GEEDLO Cc1c2c(ccc1Br)C(=NNC1=[NH+][C@@H]3CCCC[C@H]3N1)C(=O)N2 ZINC000848407556 653974656 /nfs/dbraw/zinc/97/46/56/653974656.db2.gz RKZABMKBXCJBMB-VXGBXAGGSA-N 1 2 376.258 2.274 20 30 GEEDLO C/C(=C/C(=O)N[C@@H](C#N)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000900699173 654076790 /nfs/dbraw/zinc/07/67/90/654076790.db2.gz KPJUYLJKVCNCJL-DDKJEQMHSA-N 1 2 378.270 2.408 20 30 GEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000869580760 654106360 /nfs/dbraw/zinc/10/63/60/654106360.db2.gz ASOWFEXLRYYXJD-KBPBESRZSA-N 1 2 376.881 2.286 20 30 GEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000869580760 654106367 /nfs/dbraw/zinc/10/63/67/654106367.db2.gz ASOWFEXLRYYXJD-KBPBESRZSA-N 1 2 376.881 2.286 20 30 GEEDLO C[NH+](C)Cc1csc(CNS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000921092498 654235451 /nfs/dbraw/zinc/23/54/51/654235451.db2.gz FDBZYGXFWXLKAC-UHFFFAOYSA-N 1 2 378.523 2.484 20 30 GEEDLO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3csc(C#N)c3)CC2)cc1 ZINC000892246386 654335881 /nfs/dbraw/zinc/33/58/81/654335881.db2.gz RJKKXYBPYXGWNI-UHFFFAOYSA-N 1 2 376.507 2.313 20 30 GEEDLO CN(C)c1[nH+]cc(CNS(=O)(=O)c2c(C#N)sc3ccccc32)n1C ZINC000906943451 654490742 /nfs/dbraw/zinc/49/07/42/654490742.db2.gz BYKNNVPFHGIHHR-UHFFFAOYSA-N 1 2 375.479 2.051 20 30 GEEDLO C[C@](O)(C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1)C(F)(F)C(F)(F)F ZINC000930309262 654705547 /nfs/dbraw/zinc/70/55/47/654705547.db2.gz QECRLXWFKBSLLH-JTQLQIEISA-N 1 2 386.283 2.326 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](Cc3nccs3)C2)nc1 ZINC000932205607 654770071 /nfs/dbraw/zinc/77/00/71/654770071.db2.gz YQFVNZZISRGNJR-CQSZACIVSA-N 1 2 376.507 2.138 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](Cc3nccs3)C2)nc1 ZINC000932205607 654770074 /nfs/dbraw/zinc/77/00/74/654770074.db2.gz YQFVNZZISRGNJR-CQSZACIVSA-N 1 2 376.507 2.138 20 30 GEEDLO CCC(CC)[C@@H](CNS(=O)(=O)Cc1csc(C#N)c1)[NH+]1CCOCC1 ZINC000913900056 654814818 /nfs/dbraw/zinc/81/48/18/654814818.db2.gz VDUNAAKJPVMXDV-QGZVFWFLSA-N 1 2 385.555 2.176 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C)c1C#N ZINC001164703952 719840802 /nfs/dbraw/zinc/84/08/02/719840802.db2.gz ROEZPSHYWHSTIN-IFXJQAMLSA-N 1 2 392.887 2.148 20 30 GEEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2c(cc1C#N)CCCC2 ZINC001164701163 719867810 /nfs/dbraw/zinc/86/78/10/719867810.db2.gz FPIIFVKYVQPJFC-AVRDEDQJSA-N 1 2 398.507 2.065 20 30 GEEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(CC#N)cc1Cl ZINC001164708020 719875272 /nfs/dbraw/zinc/87/52/72/719875272.db2.gz XHIWHWPEKHVISL-BEFAXECRSA-N 1 2 392.887 2.034 20 30 GEEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(c1C#N)CCCC2 ZINC001164703735 719879654 /nfs/dbraw/zinc/87/96/54/719879654.db2.gz UDUTXUCALNDLAO-JTSKRJEESA-N 1 2 398.507 2.065 20 30 GEEDLO N#Cc1cc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916235 721791254 /nfs/dbraw/zinc/79/12/54/721791254.db2.gz OXENFACXUDKCJU-HXUWFJFHSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1cc(Cl)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916235 721791256 /nfs/dbraw/zinc/79/12/56/721791256.db2.gz OXENFACXUDKCJU-HXUWFJFHSA-N 1 2 399.882 2.109 20 30 GEEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000155128494 531658731 /nfs/dbraw/zinc/65/87/31/531658731.db2.gz AGTWYXBXMZYNGN-UHFFFAOYSA-N 1 2 395.282 2.260 20 30 GEEDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000159440071 531781798 /nfs/dbraw/zinc/78/17/98/531781798.db2.gz JIDOPRNRMOOFAH-UHFFFAOYSA-N 1 2 385.917 2.191 20 30 GEEDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000159461174 531782032 /nfs/dbraw/zinc/78/20/32/531782032.db2.gz WOYFOVPNZBCVIV-UHFFFAOYSA-N 1 2 385.917 2.191 20 30 GEEDLO C=CCn1c(C)nnc1SCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000071802918 531915505 /nfs/dbraw/zinc/91/55/05/531915505.db2.gz WKFWIHUHPYEHQC-UHFFFAOYSA-N 1 2 377.539 2.271 20 30 GEEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000173863925 532039273 /nfs/dbraw/zinc/03/92/73/532039273.db2.gz SQCHIFKWBSUHAO-UHFFFAOYSA-N 1 2 393.456 2.057 20 30 GEEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000179384435 532229834 /nfs/dbraw/zinc/22/98/34/532229834.db2.gz PFWATWXGHWGMPI-MRXNPFEDSA-N 1 2 396.285 2.357 20 30 GEEDLO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000179384435 532229836 /nfs/dbraw/zinc/22/98/36/532229836.db2.gz PFWATWXGHWGMPI-MRXNPFEDSA-N 1 2 396.285 2.357 20 30 GEEDLO CC(C)C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)[NH+]1CCOCC1 ZINC000183456768 532325024 /nfs/dbraw/zinc/32/50/24/532325024.db2.gz GWWFTLJUQFDGCT-OAHLLOKOSA-N 1 2 385.917 2.237 20 30 GEEDLO N#Cc1cccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c1Br ZINC000590671424 532381264 /nfs/dbraw/zinc/38/12/64/532381264.db2.gz PESWERUKKWIMHZ-CQSZACIVSA-N 1 2 378.270 2.258 20 30 GEEDLO N#Cc1cc(F)ccc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000465399461 532415492 /nfs/dbraw/zinc/41/54/92/532415492.db2.gz DQWHPIOJJYHXQK-UHFFFAOYSA-N 1 2 379.482 2.308 20 30 GEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCc3cc(Br)ccc3NC2=O)C1=O ZINC000625388631 532422079 /nfs/dbraw/zinc/42/20/79/532422079.db2.gz VGOXOSJYCGHXFK-CVEARBPZSA-N 1 2 392.297 2.421 20 30 GEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCc3cc(Br)ccc3NC2=O)C1=O ZINC000625388631 532422090 /nfs/dbraw/zinc/42/20/90/532422090.db2.gz VGOXOSJYCGHXFK-CVEARBPZSA-N 1 2 392.297 2.421 20 30 GEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593153749 532471193 /nfs/dbraw/zinc/47/11/93/532471193.db2.gz UNAMNTBUNHHDSV-DYVFJYSZSA-N 1 2 392.297 2.185 20 30 GEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ccc(F)c(I)c1 ZINC000593154442 532473350 /nfs/dbraw/zinc/47/33/50/532473350.db2.gz PRAPWPDGSJSCIF-ZDUSSCGKSA-N 1 2 375.185 2.004 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246309011 532537638 /nfs/dbraw/zinc/53/76/38/532537638.db2.gz XXMBZUWMFBPONE-STQMWFEESA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246309011 532537643 /nfs/dbraw/zinc/53/76/43/532537643.db2.gz XXMBZUWMFBPONE-STQMWFEESA-N 1 2 394.320 2.408 20 30 GEEDLO C=CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)NCC(F)(F)F ZINC000375995536 532590503 /nfs/dbraw/zinc/59/05/03/532590503.db2.gz RTMGMUTZDCBGQM-HNNXBMFYSA-N 1 2 377.432 2.146 20 30 GEEDLO C=CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)NCC(F)(F)F ZINC000375995536 532590509 /nfs/dbraw/zinc/59/05/09/532590509.db2.gz RTMGMUTZDCBGQM-HNNXBMFYSA-N 1 2 377.432 2.146 20 30 GEEDLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000528533838 532570503 /nfs/dbraw/zinc/57/05/03/532570503.db2.gz AINVDMMZSWQEMX-UHFFFAOYSA-N 1 2 383.901 2.087 20 30 GEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528783956 532580837 /nfs/dbraw/zinc/58/08/37/532580837.db2.gz ILZDQOCWXSMQLL-WYNONVBMSA-N 1 2 377.535 2.421 20 30 GEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528783956 532580841 /nfs/dbraw/zinc/58/08/41/532580841.db2.gz ILZDQOCWXSMQLL-WYNONVBMSA-N 1 2 377.535 2.421 20 30 GEEDLO N#Cc1ccc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000596902433 532608791 /nfs/dbraw/zinc/60/87/91/532608791.db2.gz CGJUEQLBWVHLFA-AWEZNQCLSA-N 1 2 379.258 2.259 20 30 GEEDLO COc1cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1Br ZINC000599229926 532654876 /nfs/dbraw/zinc/65/48/76/532654876.db2.gz KFIRSVXKXNDUON-UHFFFAOYSA-N 1 2 396.285 2.146 20 30 GEEDLO Cc1cc(Br)cc(C)c1N1CCC[C@@H](O[NH+]=C(N)CCO)C1=O ZINC000285330339 532669729 /nfs/dbraw/zinc/66/97/29/532669729.db2.gz YCSLUWXXSGBEAN-CYBMUJFWSA-N 1 2 384.274 2.233 20 30 GEEDLO CCN(CCC#N)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000409534518 532724883 /nfs/dbraw/zinc/72/48/83/532724883.db2.gz IJJSDDZHUDSZSC-OAHLLOKOSA-N 1 2 381.889 2.233 20 30 GEEDLO C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@H]1[NH+]1CCOCC1 ZINC000408453492 532719470 /nfs/dbraw/zinc/71/94/70/532719470.db2.gz RBNJFNIRDBHXFT-SWLSCSKDSA-N 1 2 378.270 2.113 20 30 GEEDLO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451037610 532761124 /nfs/dbraw/zinc/76/11/24/532761124.db2.gz PJJIHUXUYFSFQV-OAHLLOKOSA-N 1 2 385.917 2.041 20 30 GEEDLO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451037610 532761127 /nfs/dbraw/zinc/76/11/27/532761127.db2.gz PJJIHUXUYFSFQV-OAHLLOKOSA-N 1 2 385.917 2.041 20 30 GEEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000267858556 532751404 /nfs/dbraw/zinc/75/14/04/532751404.db2.gz FVLCFMMHEOSQPU-UHFFFAOYSA-N 1 2 384.299 2.180 20 30 GEEDLO COC(=O)c1cccc(C[N@H+](C)CCn2cc(Br)cn2)c1C#N ZINC000588986488 532773406 /nfs/dbraw/zinc/77/34/06/532773406.db2.gz NRBAEPBZBAWEDH-UHFFFAOYSA-N 1 2 377.242 2.436 20 30 GEEDLO COC(=O)c1cccc(C[N@@H+](C)CCn2cc(Br)cn2)c1C#N ZINC000588986488 532773410 /nfs/dbraw/zinc/77/34/10/532773410.db2.gz NRBAEPBZBAWEDH-UHFFFAOYSA-N 1 2 377.242 2.436 20 30 GEEDLO C=C(Br)C[NH+]1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000269617082 532785066 /nfs/dbraw/zinc/78/50/66/532785066.db2.gz MNJFMVHHDCWKNJ-UHFFFAOYSA-N 1 2 377.279 2.477 20 30 GEEDLO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CCn2c[nH+]cc2C1 ZINC000329743698 532810678 /nfs/dbraw/zinc/81/06/78/532810678.db2.gz XLGXKIVYDFRXHW-UHFFFAOYSA-N 1 2 393.241 2.347 20 30 GEEDLO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000330511920 532820691 /nfs/dbraw/zinc/82/06/91/532820691.db2.gz RUQBCPWDYSNPFI-GFCCVEGCSA-N 1 2 383.290 2.010 20 30 GEEDLO Cc1ccc(F)c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1Br ZINC000331123861 532833350 /nfs/dbraw/zinc/83/33/50/532833350.db2.gz CIQOFJGJVPOBCF-MRXNPFEDSA-N 1 2 389.265 2.284 20 30 GEEDLO CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328630463 206234544 /nfs/dbraw/zinc/23/45/44/206234544.db2.gz PWVQRSSUXOYGAW-OAHLLOKOSA-N 1 2 379.873 2.002 20 30 GEEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000332616079 532858468 /nfs/dbraw/zinc/85/84/68/532858468.db2.gz FFDSBYZUYGODRG-KKUMJFAQSA-N 1 2 388.534 2.071 20 30 GEEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000332616079 532858471 /nfs/dbraw/zinc/85/84/71/532858471.db2.gz FFDSBYZUYGODRG-KKUMJFAQSA-N 1 2 388.534 2.071 20 30 GEEDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416374397 532873162 /nfs/dbraw/zinc/87/31/62/532873162.db2.gz RFSBBZQSEYUXII-UHFFFAOYSA-N 1 2 386.315 2.283 20 30 GEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000293095575 532921912 /nfs/dbraw/zinc/92/19/12/532921912.db2.gz OFVDFJAGWPJCMV-UHFFFAOYSA-N 1 2 386.254 2.030 20 30 GEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)c(F)cc2Cl)CC1 ZINC000293095575 532921914 /nfs/dbraw/zinc/92/19/14/532921914.db2.gz OFVDFJAGWPJCMV-UHFFFAOYSA-N 1 2 386.254 2.030 20 30 GEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000293329882 532925302 /nfs/dbraw/zinc/92/53/02/532925302.db2.gz JLIIJFCXHUOHAI-UHFFFAOYSA-N 1 2 376.335 2.277 20 30 GEEDLO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(C#N)ccc3Br)C2)nn1 ZINC000368460237 532932390 /nfs/dbraw/zinc/93/23/90/532932390.db2.gz APADOBDXPHQPLM-CYBMUJFWSA-N 1 2 390.241 2.146 20 30 GEEDLO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3Br)C2)nn1 ZINC000368460237 532932392 /nfs/dbraw/zinc/93/23/92/532932392.db2.gz APADOBDXPHQPLM-CYBMUJFWSA-N 1 2 390.241 2.146 20 30 GEEDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(C#N)ccc3Br)C2)nn1 ZINC000368460238 532932403 /nfs/dbraw/zinc/93/24/03/532932403.db2.gz APADOBDXPHQPLM-ZDUSSCGKSA-N 1 2 390.241 2.146 20 30 GEEDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(C#N)ccc3Br)C2)nn1 ZINC000368460238 532932404 /nfs/dbraw/zinc/93/24/04/532932404.db2.gz APADOBDXPHQPLM-ZDUSSCGKSA-N 1 2 390.241 2.146 20 30 GEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000735380146 598682639 /nfs/dbraw/zinc/68/26/39/598682639.db2.gz CQQMQVRMBMZJPU-KRWDZBQOSA-N 1 2 389.419 2.090 20 30 GEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000735380146 598682640 /nfs/dbraw/zinc/68/26/40/598682640.db2.gz CQQMQVRMBMZJPU-KRWDZBQOSA-N 1 2 389.419 2.090 20 30 GEEDLO Fc1ccc(C#CC[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1 ZINC000822761887 607493360 /nfs/dbraw/zinc/49/33/60/607493360.db2.gz VGZQKJOQNUXLBY-UHFFFAOYSA-N 1 2 380.402 2.319 20 30 GEEDLO CC(C)c1nc(-c2nn[nH]n2)c(N=NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000824352878 608217539 /nfs/dbraw/zinc/21/75/39/608217539.db2.gz QQCRQUSTOPXCDO-UHFFFAOYSA-N 1 2 395.471 2.176 20 30 GEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000450241025 650062554 /nfs/dbraw/zinc/06/25/54/650062554.db2.gz FWVHLBRFVZBKFB-CYBMUJFWSA-N 1 2 389.253 2.449 20 30 GEEDLO N#Cc1cc(Br)cnc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000450268061 650063288 /nfs/dbraw/zinc/06/32/88/650063288.db2.gz FFISHAXVZYNVBY-HNNXBMFYSA-N 1 2 383.315 2.336 20 30 GEEDLO C=CCOc1c(Br)cc(CNC[C@H]2COCC[NH2+]2)cc1OCC ZINC000530181064 650717440 /nfs/dbraw/zinc/71/74/40/650717440.db2.gz JMDWZAFMXFXMBP-AWEZNQCLSA-N 1 2 385.302 2.491 20 30 GEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000068766451 643010667 /nfs/dbraw/zinc/01/06/67/643010667.db2.gz DQFOTQYKBGVOLF-UHFFFAOYSA-N 1 2 375.416 2.498 20 30 GEEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(Br)c1 ZINC000181152214 644527092 /nfs/dbraw/zinc/52/70/92/644527092.db2.gz JSMLGMLBIVNONI-OAHLLOKOSA-N 1 2 398.326 2.321 20 30 GEEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c(Br)c1 ZINC000181152214 644527099 /nfs/dbraw/zinc/52/70/99/644527099.db2.gz JSMLGMLBIVNONI-OAHLLOKOSA-N 1 2 398.326 2.321 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246824327 645496048 /nfs/dbraw/zinc/49/60/48/645496048.db2.gz NWKDSSRCHNKJPV-JLSDUUJJSA-N 1 2 387.929 2.454 20 30 GEEDLO C=CC[N@H+](C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246824327 645496053 /nfs/dbraw/zinc/49/60/53/645496053.db2.gz NWKDSSRCHNKJPV-JLSDUUJJSA-N 1 2 387.929 2.454 20 30 GEEDLO C=CCNC(=O)C[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000271926827 646241606 /nfs/dbraw/zinc/24/16/06/646241606.db2.gz DQGPHVRREQHAOJ-NSHDSACASA-N 1 2 378.274 2.291 20 30 GEEDLO CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409476221 647963251 /nfs/dbraw/zinc/96/32/51/647963251.db2.gz RMCLNQWKCIUWBY-CVEARBPZSA-N 1 2 388.896 2.294 20 30 GEEDLO CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409476221 647963254 /nfs/dbraw/zinc/96/32/54/647963254.db2.gz RMCLNQWKCIUWBY-CVEARBPZSA-N 1 2 388.896 2.294 20 30 GEEDLO CC#CC[C@@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000649185748 651819957 /nfs/dbraw/zinc/81/99/57/651819957.db2.gz KLEVBXPTSDEBAL-IRXDYDNUSA-N 1 2 379.298 2.477 20 30 GEEDLO C#CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000746258924 652098528 /nfs/dbraw/zinc/09/85/28/652098528.db2.gz GBCFLINZRRURHI-WBVHZDCISA-N 1 2 393.281 2.065 20 30 GEEDLO C#CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000746258924 652098534 /nfs/dbraw/zinc/09/85/34/652098534.db2.gz GBCFLINZRRURHI-WBVHZDCISA-N 1 2 393.281 2.065 20 30 GEEDLO C#CC[N@@H+](CC)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000746456632 652107659 /nfs/dbraw/zinc/10/76/59/652107659.db2.gz CGOCJYOIHTVCCG-UHFFFAOYSA-N 1 2 380.286 2.110 20 30 GEEDLO C#CC[N@H+](CC)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000746456632 652107668 /nfs/dbraw/zinc/10/76/68/652107668.db2.gz CGOCJYOIHTVCCG-UHFFFAOYSA-N 1 2 380.286 2.110 20 30 GEEDLO O=C1Nc2c(cc(F)cc2Br)C1=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753927514 652420461 /nfs/dbraw/zinc/42/04/61/652420461.db2.gz CVRHQUVTCHEGPK-QWRGUYRKSA-N 1 2 380.221 2.104 20 30 GEEDLO C#C[C@@H](C)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000769962725 653192774 /nfs/dbraw/zinc/19/27/74/653192774.db2.gz IQFMLCXQBWCENT-CYBMUJFWSA-N 1 2 380.286 2.108 20 30 GEEDLO C#C[C@@H](C)[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000769962725 653192780 /nfs/dbraw/zinc/19/27/80/653192780.db2.gz IQFMLCXQBWCENT-CYBMUJFWSA-N 1 2 380.286 2.108 20 30 GEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)Cc2c[nH+]cn2C)nc1C ZINC000776325955 653346073 /nfs/dbraw/zinc/34/60/73/653346073.db2.gz UPKPQTPRXPFPIF-UHFFFAOYSA-N 1 2 375.483 2.099 20 30 GEEDLO Brc1ccccc1-n1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)nn1 ZINC000811646332 653399865 /nfs/dbraw/zinc/39/98/65/653399865.db2.gz VKCLTIFJMYIXAQ-ZIAGYGMSSA-N 1 2 388.273 2.224 20 30 GEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000838112276 653609436 /nfs/dbraw/zinc/60/94/36/653609436.db2.gz IRDIVCODLITYRB-CJNGLKHVSA-N 1 2 380.286 2.143 20 30 GEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000838112276 653609442 /nfs/dbraw/zinc/60/94/42/653609442.db2.gz IRDIVCODLITYRB-CJNGLKHVSA-N 1 2 380.286 2.143 20 30 GEEDLO C=C(Cl)C[C@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)C(=O)OCC ZINC000882470840 653783366 /nfs/dbraw/zinc/78/33/66/653783366.db2.gz AWZSWUFEUGGAPO-HNNXBMFYSA-N 1 2 386.901 2.027 20 30 GEEDLO C=C(Cl)C[C@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)C(=O)OCC ZINC000882470840 653783370 /nfs/dbraw/zinc/78/33/70/653783370.db2.gz AWZSWUFEUGGAPO-HNNXBMFYSA-N 1 2 386.901 2.027 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)cc1OC ZINC000895326795 653827833 /nfs/dbraw/zinc/82/78/33/653827833.db2.gz GVMBZQYNYNVVGW-SUMWQHHRSA-N 1 2 386.286 2.340 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)cc1OC ZINC000895326795 653827836 /nfs/dbraw/zinc/82/78/36/653827836.db2.gz GVMBZQYNYNVVGW-SUMWQHHRSA-N 1 2 386.286 2.340 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)cc1OC ZINC000895326793 653827980 /nfs/dbraw/zinc/82/79/80/653827980.db2.gz GVMBZQYNYNVVGW-DYVFJYSZSA-N 1 2 386.286 2.340 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)cc1OC ZINC000895326793 653827982 /nfs/dbraw/zinc/82/79/82/653827982.db2.gz GVMBZQYNYNVVGW-DYVFJYSZSA-N 1 2 386.286 2.340 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000884121224 653864814 /nfs/dbraw/zinc/86/48/14/653864814.db2.gz JQZJPRFSORRYOK-LSDHHAIUSA-N 1 2 387.263 2.340 20 30 GEEDLO C/C(=C\C(=O)N[C@H](C#N)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000900463856 654065534 /nfs/dbraw/zinc/06/55/34/654065534.db2.gz HKNJFJRCJPTEBQ-LRFDDAOPSA-N 1 2 378.270 2.408 20 30 GEEDLO C#CCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2C(=O)OC)CC1 ZINC000801513167 654199425 /nfs/dbraw/zinc/19/94/25/654199425.db2.gz JCGCVMYGJUNPTL-UHFFFAOYSA-N 1 2 393.281 2.197 20 30 GEEDLO C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932947128 654795787 /nfs/dbraw/zinc/79/57/87/654795787.db2.gz ZAEAYWIKJMULQA-CIUDSAMLSA-N 1 2 378.263 2.227 20 30 GEEDLO C[C@H](NS(=O)(=O)Cc1csc(C#N)c1)C1([NH+]2CCOCC2)CCCC1 ZINC000914237552 654837696 /nfs/dbraw/zinc/83/76/96/654837696.db2.gz ZWEOCCIZJRJHMJ-AWEZNQCLSA-N 1 2 383.539 2.073 20 30 GEEDLO N#Cc1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164912177 721766022 /nfs/dbraw/zinc/76/60/22/721766022.db2.gz UVSOJFCITMTQNS-HXUWFJFHSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164912177 721766023 /nfs/dbraw/zinc/76/60/23/721766023.db2.gz UVSOJFCITMTQNS-HXUWFJFHSA-N 1 2 399.882 2.109 20 30 GEEDLO Cc1cc(C#N)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164948374 721979984 /nfs/dbraw/zinc/97/99/84/721979984.db2.gz LITAPLJNUGOXLE-UHFFFAOYSA-N 1 2 375.476 2.233 20 30 GEEDLO Cc1cc(C#N)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164948374 721979987 /nfs/dbraw/zinc/97/99/87/721979987.db2.gz LITAPLJNUGOXLE-UHFFFAOYSA-N 1 2 375.476 2.233 20 30 GEEDLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@@H+]1CCOC ZINC000166015990 531875356 /nfs/dbraw/zinc/87/53/56/531875356.db2.gz OIRONCXKOZYEQC-OAHLLOKOSA-N 1 2 385.917 2.333 20 30 GEEDLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC[N@H+]1CCOC ZINC000166015990 531875361 /nfs/dbraw/zinc/87/53/61/531875361.db2.gz OIRONCXKOZYEQC-OAHLLOKOSA-N 1 2 385.917 2.333 20 30 GEEDLO CC1CC[NH+](Cc2csc(NS(=O)(=O)c3ccc(C#N)cc3)n2)CC1 ZINC000069901583 531912997 /nfs/dbraw/zinc/91/29/97/531912997.db2.gz HLPULFNXQQTBFN-UHFFFAOYSA-N 1 2 376.507 3.047 20 30 GEEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000120976637 532006117 /nfs/dbraw/zinc/00/61/17/532006117.db2.gz PHTRLUKNHMGSJK-QGZVFWFLSA-N 1 2 391.313 2.254 20 30 GEEDLO N#Cc1cc(Br)ccc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000121820154 532048305 /nfs/dbraw/zinc/04/83/05/532048305.db2.gz JVYCNSKMZOEWAG-UHFFFAOYSA-N 1 2 391.313 2.455 20 30 GEEDLO CCN(CC)C(=O)C[NH+]1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000121821317 532048608 /nfs/dbraw/zinc/04/86/08/532048608.db2.gz QTZBSBOQOJYPHA-UHFFFAOYSA-N 1 2 379.302 2.311 20 30 GEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc(C#N)cc2Br)CC1 ZINC000122431000 532070552 /nfs/dbraw/zinc/07/05/52/532070552.db2.gz XXMQRJUZQZHIPM-UHFFFAOYSA-N 1 2 398.268 2.324 20 30 GEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000124306264 532118804 /nfs/dbraw/zinc/11/88/04/532118804.db2.gz GTFLXXLHHJRTJE-UHFFFAOYSA-N 1 2 375.416 2.498 20 30 GEEDLO N#C[C@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000135402864 532272074 /nfs/dbraw/zinc/27/20/74/532272074.db2.gz XKIBRCBRBIHCHI-JKSUJKDBSA-N 1 2 378.270 2.337 20 30 GEEDLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000183447352 532325158 /nfs/dbraw/zinc/32/51/58/532325158.db2.gz OROLHCFAEVGQPS-BETUJISGSA-N 1 2 385.917 2.378 20 30 GEEDLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000183447352 532325161 /nfs/dbraw/zinc/32/51/61/532325161.db2.gz OROLHCFAEVGQPS-BETUJISGSA-N 1 2 385.917 2.378 20 30 GEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(F)ccc1I ZINC000516870711 532394920 /nfs/dbraw/zinc/39/49/20/532394920.db2.gz LDWBRKNZWMGGBM-ZDUSSCGKSA-N 1 2 375.185 2.004 20 30 GEEDLO C[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000192968404 532415095 /nfs/dbraw/zinc/41/50/95/532415095.db2.gz OXRPOLXJJLDSHL-CQSZACIVSA-N 1 2 375.519 2.486 20 30 GEEDLO C[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000192968404 532415104 /nfs/dbraw/zinc/41/51/04/532415104.db2.gz OXRPOLXJJLDSHL-CQSZACIVSA-N 1 2 375.519 2.486 20 30 GEEDLO COc1cc(Br)c(C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1O ZINC000373465279 532451731 /nfs/dbraw/zinc/45/17/31/532451731.db2.gz JYUPJXCXAGSYGD-UHFFFAOYSA-N 1 2 392.257 2.464 20 30 GEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1nc(N(C)C)n(-c2ccccc2)c1Cl ZINC000282733039 532490791 /nfs/dbraw/zinc/49/07/91/532490791.db2.gz DRPKPIHZFUWKSS-UHFFFAOYSA-N 1 2 382.917 2.282 20 30 GEEDLO N#Cc1cnn2cc(C[N@H+](CCO)Cc3ccc(Br)s3)cnc12 ZINC000521625436 532517553 /nfs/dbraw/zinc/51/75/53/532517553.db2.gz LADTXYOCIGICGD-UHFFFAOYSA-N 1 2 392.282 2.419 20 30 GEEDLO N#Cc1cnn2cc(C[N@@H+](CCO)Cc3ccc(Br)s3)cnc12 ZINC000521625436 532517559 /nfs/dbraw/zinc/51/75/59/532517559.db2.gz LADTXYOCIGICGD-UHFFFAOYSA-N 1 2 392.282 2.419 20 30 GEEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000431584712 532517877 /nfs/dbraw/zinc/51/78/77/532517877.db2.gz CDLPKWYGXKTQFO-UHFFFAOYSA-N 1 2 382.239 2.203 20 30 GEEDLO C=CC[N@@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246270871 532536979 /nfs/dbraw/zinc/53/69/79/532536979.db2.gz AEDROVVGWPZCIW-HOTGVXAUSA-N 1 2 377.428 2.284 20 30 GEEDLO C=CC[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246270871 532536987 /nfs/dbraw/zinc/53/69/87/532536987.db2.gz AEDROVVGWPZCIW-HOTGVXAUSA-N 1 2 377.428 2.284 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246309704 532537688 /nfs/dbraw/zinc/53/76/88/532537688.db2.gz YDXVYFXTYUZRQD-KBPBESRZSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246309704 532537692 /nfs/dbraw/zinc/53/76/92/532537692.db2.gz YDXVYFXTYUZRQD-KBPBESRZSA-N 1 2 394.320 2.408 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000374832219 532520348 /nfs/dbraw/zinc/52/03/48/532520348.db2.gz HINLHTCUQKVFET-UHFFFAOYSA-N 1 2 398.326 2.321 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000374832219 532520355 /nfs/dbraw/zinc/52/03/55/532520355.db2.gz HINLHTCUQKVFET-UHFFFAOYSA-N 1 2 398.326 2.321 20 30 GEEDLO COc1ccc(C[N@@H+]2CC[C@H]2CNS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000528500872 532569475 /nfs/dbraw/zinc/56/94/75/532569475.db2.gz KJHFXKOQZVYZNV-AWEZNQCLSA-N 1 2 377.491 2.181 20 30 GEEDLO COc1ccc(C[N@H+]2CC[C@H]2CNS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000528500872 532569482 /nfs/dbraw/zinc/56/94/82/532569482.db2.gz KJHFXKOQZVYZNV-AWEZNQCLSA-N 1 2 377.491 2.181 20 30 GEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000567009940 532636010 /nfs/dbraw/zinc/63/60/10/532636010.db2.gz HNCGEENVFSQDIC-PBHICJAKSA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000567009940 532636016 /nfs/dbraw/zinc/63/60/16/532636016.db2.gz HNCGEENVFSQDIC-PBHICJAKSA-N 1 2 376.869 2.330 20 30 GEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298756605 532673261 /nfs/dbraw/zinc/67/32/61/532673261.db2.gz OAWVJBXYRSUKHP-HZPDHXFCSA-N 1 2 384.567 2.408 20 30 GEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000298756605 532673265 /nfs/dbraw/zinc/67/32/65/532673265.db2.gz OAWVJBXYRSUKHP-HZPDHXFCSA-N 1 2 384.567 2.408 20 30 GEEDLO Cc1sc(NC(=O)Cn2cc(C[NH+]3CCSCC3)nn2)c(C#N)c1C ZINC000603168964 532691737 /nfs/dbraw/zinc/69/17/37/532691737.db2.gz HUPNXSKASYITOS-UHFFFAOYSA-N 1 2 376.511 2.016 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000488008524 532699820 /nfs/dbraw/zinc/69/98/20/532699820.db2.gz LJZURAMBWZADCR-MRXNPFEDSA-N 1 2 385.917 2.084 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000488008524 532699823 /nfs/dbraw/zinc/69/98/23/532699823.db2.gz LJZURAMBWZADCR-MRXNPFEDSA-N 1 2 385.917 2.084 20 30 GEEDLO CC#CC[NH2+]Cc1cn(Cc2cc(OC)c(OC)cc2Br)nn1 ZINC000640859871 532699813 /nfs/dbraw/zinc/69/98/13/532699813.db2.gz LADLDLYIEVMMTE-UHFFFAOYSA-N 1 2 379.258 2.219 20 30 GEEDLO C=CC[N@@H+](CCOc1ccc(C(=O)OC)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000440297501 532710241 /nfs/dbraw/zinc/71/02/41/532710241.db2.gz RFGOSBBQQSNUEE-CQSZACIVSA-N 1 2 387.885 2.181 20 30 GEEDLO C=CC[N@H+](CCOc1ccc(C(=O)OC)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000440297501 532710246 /nfs/dbraw/zinc/71/02/46/532710246.db2.gz RFGOSBBQQSNUEE-CQSZACIVSA-N 1 2 387.885 2.181 20 30 GEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2cccc(Br)c2)c1=O ZINC000577113538 532734632 /nfs/dbraw/zinc/73/46/32/532734632.db2.gz SUDFPJSJORHXKW-UHFFFAOYSA-N 1 2 388.265 2.363 20 30 GEEDLO C[C@@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000578483589 532735663 /nfs/dbraw/zinc/73/56/63/532735663.db2.gz LLMQXICNQPTSCK-ZDUSSCGKSA-N 1 2 386.315 2.448 20 30 GEEDLO C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000509432914 532769664 /nfs/dbraw/zinc/76/96/64/532769664.db2.gz VRVCFLSSLQPJDD-WFASDCNBSA-N 1 2 381.889 2.231 20 30 GEEDLO O=C(NCc1nc2cc(Br)cnc2[nH]1)C1([NH+]2CCOCC2)CCC1 ZINC000329351250 532805475 /nfs/dbraw/zinc/80/54/75/532805475.db2.gz XCJGVQLZDLMYQK-UHFFFAOYSA-N 1 2 394.273 2.432 20 30 GEEDLO COCc1c(Br)cccc1NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000329942150 532813180 /nfs/dbraw/zinc/81/31/80/532813180.db2.gz VIFVHYJKZQNTTF-HUUCEWRRSA-N 1 2 384.274 2.156 20 30 GEEDLO COCc1c(Br)cccc1NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000329942150 532813183 /nfs/dbraw/zinc/81/31/83/532813183.db2.gz VIFVHYJKZQNTTF-HUUCEWRRSA-N 1 2 384.274 2.156 20 30 GEEDLO Cc1ncc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1C#N ZINC000332097111 532848947 /nfs/dbraw/zinc/84/89/47/532848947.db2.gz PZLMQDUOVTYZEX-GFCCVEGCSA-N 1 2 376.507 2.048 20 30 GEEDLO Cc1ncc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1C#N ZINC000332097111 532848950 /nfs/dbraw/zinc/84/89/50/532848950.db2.gz PZLMQDUOVTYZEX-GFCCVEGCSA-N 1 2 376.507 2.048 20 30 GEEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000289270110 532851686 /nfs/dbraw/zinc/85/16/86/532851686.db2.gz ZJLKLAZYJUGYFE-UHFFFAOYSA-N 1 2 392.264 2.231 20 30 GEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@@H]1C ZINC000416457618 532878024 /nfs/dbraw/zinc/87/80/24/532878024.db2.gz XYCMJVAXMSKTHQ-RYUDHWBXSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@@H]1C ZINC000416457618 532878027 /nfs/dbraw/zinc/87/80/27/532878027.db2.gz XYCMJVAXMSKTHQ-RYUDHWBXSA-N 1 2 386.315 2.424 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000292997988 532920892 /nfs/dbraw/zinc/92/08/92/532920892.db2.gz OPFSUYKTRXRMPH-OAHLLOKOSA-N 1 2 376.258 2.242 20 30 GEEDLO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000292997988 532920894 /nfs/dbraw/zinc/92/08/94/532920894.db2.gz OPFSUYKTRXRMPH-OAHLLOKOSA-N 1 2 376.258 2.242 20 30 GEEDLO N#C[C@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1 ZINC000293432480 532926875 /nfs/dbraw/zinc/92/68/75/532926875.db2.gz JJFGJCCPGJJOMN-DZGCQCFKSA-N 1 2 398.326 2.448 20 30 GEEDLO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445887916 649966206 /nfs/dbraw/zinc/96/62/06/649966206.db2.gz SNOAIJISKUCPDQ-CYBMUJFWSA-N 1 2 382.258 2.216 20 30 GEEDLO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445887916 649966209 /nfs/dbraw/zinc/96/62/09/649966209.db2.gz SNOAIJISKUCPDQ-CYBMUJFWSA-N 1 2 382.258 2.216 20 30 GEEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000822819394 606964611 /nfs/dbraw/zinc/96/46/11/606964611.db2.gz RPMOROFFEUJQKU-UHFFFAOYSA-N 1 2 381.390 2.339 20 30 GEEDLO COc1cc(-c2nn[nH]n2)ccc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000826169645 608355185 /nfs/dbraw/zinc/35/51/85/608355185.db2.gz ZLKVTOOYHQAAJN-UHFFFAOYSA-N 1 2 389.463 2.065 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824184862 608463021 /nfs/dbraw/zinc/46/30/21/608463021.db2.gz MTINRQDMSAYBEC-FQEVSTJZSA-N 1 2 379.468 2.010 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824184862 608463023 /nfs/dbraw/zinc/46/30/23/608463023.db2.gz MTINRQDMSAYBEC-FQEVSTJZSA-N 1 2 379.468 2.010 20 30 GEEDLO CC(C)[C@@H](CNC(=O)c1ccc(Br)cc1C#N)[NH+]1CCOCC1 ZINC000448635290 650018369 /nfs/dbraw/zinc/01/83/69/650018369.db2.gz YTYYWTIKNWOAQI-MRXNPFEDSA-N 1 2 380.286 2.407 20 30 GEEDLO N#Cc1cc(Br)cnc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000450268064 650063328 /nfs/dbraw/zinc/06/33/28/650063328.db2.gz FFISHAXVZYNVBY-OAHLLOKOSA-N 1 2 383.315 2.336 20 30 GEEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000451967099 650158941 /nfs/dbraw/zinc/15/89/41/650158941.db2.gz GQNHQBKLEDZYSH-GFCCVEGCSA-N 1 2 386.315 2.426 20 30 GEEDLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000528536756 650695084 /nfs/dbraw/zinc/69/50/84/650695084.db2.gz RTFAIBKXHOMVSG-UHFFFAOYSA-N 1 2 383.901 2.087 20 30 GEEDLO C=CC[N@@H+](C)Cn1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1=S ZINC000154991895 644061551 /nfs/dbraw/zinc/06/15/51/644061551.db2.gz NLRBBIHTZKZRRY-UHFFFAOYSA-N 1 2 383.495 2.060 20 30 GEEDLO C=CC[N@H+](C)Cn1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc1=S ZINC000154991895 644061558 /nfs/dbraw/zinc/06/15/58/644061558.db2.gz NLRBBIHTZKZRRY-UHFFFAOYSA-N 1 2 383.495 2.060 20 30 GEEDLO C[NH+]=C(NC[C@H](OC)c1cccc(Cl)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158574461 644150315 /nfs/dbraw/zinc/15/03/15/644150315.db2.gz OIVIWDAGOBOLSG-HNNXBMFYSA-N 1 2 387.933 2.112 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000267941635 645937380 /nfs/dbraw/zinc/93/73/80/645937380.db2.gz SHCXZWZWARYZBB-UHFFFAOYSA-N 1 2 384.205 2.278 20 30 GEEDLO CN(CC[NH+]1CCOCC1)C(=O)NCc1cc(Br)cc2c1OCC2 ZINC000329633692 647321833 /nfs/dbraw/zinc/32/18/33/647321833.db2.gz SPPNTKRMOYGMDB-UHFFFAOYSA-N 1 2 398.301 2.062 20 30 GEEDLO COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2nc(C)sc2Br)C1 ZINC000331311417 647379473 /nfs/dbraw/zinc/37/94/73/647379473.db2.gz BYCBZSDAXQNPDA-SNVBAGLBSA-N 1 2 390.303 2.404 20 30 GEEDLO COC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2nc(C)sc2Br)C1 ZINC000331311417 647379478 /nfs/dbraw/zinc/37/94/78/647379478.db2.gz BYCBZSDAXQNPDA-SNVBAGLBSA-N 1 2 390.303 2.404 20 30 GEEDLO Cc1cc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)ccc1C#N ZINC000443965956 648893253 /nfs/dbraw/zinc/89/32/53/648893253.db2.gz PBJAZDCOBJIDPP-UHFFFAOYSA-N 1 2 375.519 2.477 20 30 GEEDLO N#Cc1ccc2ncc(C[NH2+][C@@H](C(N)=O)c3cccc(Br)c3)n2c1 ZINC000560274885 651305922 /nfs/dbraw/zinc/30/59/22/651305922.db2.gz OIIXHQUUFUJPHV-MRXNPFEDSA-N 1 2 384.237 2.285 20 30 GEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000568901450 651687963 /nfs/dbraw/zinc/68/79/63/651687963.db2.gz XFYKFFMGNKOJTI-AWEZNQCLSA-N 1 2 383.901 2.087 20 30 GEEDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1c(Br)cc(Cl)cc1C#N ZINC000570989086 651804163 /nfs/dbraw/zinc/80/41/63/651804163.db2.gz KNADBZCRDWUXJG-ZDUSSCGKSA-N 1 2 388.693 2.103 20 30 GEEDLO N#CCc1ccccc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000601314269 653086167 /nfs/dbraw/zinc/08/61/67/653086167.db2.gz AJOMIXFNCUDZRA-UHFFFAOYSA-N 1 2 375.519 2.363 20 30 GEEDLO C[S@](=O)CC[NH+]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000771149205 653098322 /nfs/dbraw/zinc/09/83/22/653098322.db2.gz YSOIWIQHFHLJRN-VWLOTQADSA-N 1 2 380.876 2.399 20 30 GEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccc(Br)cc1 ZINC000836348945 653346055 /nfs/dbraw/zinc/34/60/55/653346055.db2.gz ITLDCNFCSAOBSX-XJKSGUPXSA-N 1 2 380.286 2.143 20 30 GEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccc(Br)cc1 ZINC000836348945 653346062 /nfs/dbraw/zinc/34/60/62/653346062.db2.gz ITLDCNFCSAOBSX-XJKSGUPXSA-N 1 2 380.286 2.143 20 30 GEEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(Cl)c3ccccc23)CC1 ZINC000817275512 653707519 /nfs/dbraw/zinc/70/75/19/653707519.db2.gz HXMVHBSILAGYJR-UHFFFAOYSA-N 1 2 377.897 2.078 20 30 GEEDLO C[NH+](C)CCNC(=O)CC1SC(=Nc2ccsc2)N(CC(F)F)C1=O ZINC000790729258 653796308 /nfs/dbraw/zinc/79/63/08/653796308.db2.gz VRJLQPINKQTLTD-NSHDSACASA-N 1 2 390.481 2.013 20 30 GEEDLO C[NH+](C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CC(F)F)C1=O ZINC000790729258 653796312 /nfs/dbraw/zinc/79/63/12/653796312.db2.gz VRJLQPINKQTLTD-NSHDSACASA-N 1 2 390.481 2.013 20 30 GEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883109521 653828067 /nfs/dbraw/zinc/82/80/67/653828067.db2.gz UAUHDPYMWRHWFC-RYUDHWBXSA-N 1 2 394.273 2.043 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc(OC)c(Br)c1 ZINC000884060758 653862136 /nfs/dbraw/zinc/86/21/36/653862136.db2.gz JWADIKMIKROFLD-MFKMUULPSA-N 1 2 385.258 2.082 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)Cc1ccc(Br)cc1 ZINC000884416423 653876031 /nfs/dbraw/zinc/87/60/31/653876031.db2.gz BDJCJFKLHGUUBV-CABCVRRESA-N 1 2 383.286 2.333 20 30 GEEDLO C#C[C@H]([NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000794815068 653921153 /nfs/dbraw/zinc/92/11/53/653921153.db2.gz NCMLTPCSBJTBFB-IIMNLJJBSA-N 1 2 377.293 2.472 20 30 GEEDLO C=CCNC(=O)C[NH+]1CCN(c2nccc3ccc(Br)cc32)CC1 ZINC000825547037 653933248 /nfs/dbraw/zinc/93/32/48/653933248.db2.gz GGJYZAUJYVHXDY-UHFFFAOYSA-N 1 2 389.297 2.422 20 30 GEEDLO N#CC1(C[C@H](O)C[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)CCC1 ZINC000886144719 653967808 /nfs/dbraw/zinc/96/78/08/653967808.db2.gz FNJXAWADBBHCSD-NSHDSACASA-N 1 2 375.420 2.124 20 30 GEEDLO CCC(=NNCCCn1cc[nH+]c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000848417085 653974777 /nfs/dbraw/zinc/97/47/77/653974777.db2.gz KHIAZKYLIMVUNX-UHFFFAOYSA-N 1 2 383.905 2.239 20 30 GEEDLO C/C(=C\C(=O)N[C@@H](C#N)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000900463861 654065565 /nfs/dbraw/zinc/06/55/65/654065565.db2.gz HKNJFJRCJPTEBQ-WQMJKPAKSA-N 1 2 378.270 2.408 20 30 GEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000921437759 654267728 /nfs/dbraw/zinc/26/77/28/654267728.db2.gz GDUDMCMNDOZOIL-UHFFFAOYSA-N 1 2 391.718 2.478 20 30 GEEDLO N#Cc1cccc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1Br ZINC000905955708 654394148 /nfs/dbraw/zinc/39/41/48/654394148.db2.gz PQRVKOFOPNCHQC-HIFRSBDPSA-N 1 2 394.269 2.139 20 30 GEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907073021 654507322 /nfs/dbraw/zinc/50/73/22/654507322.db2.gz GMJFIKDNSDZEHQ-NSHDSACASA-N 1 2 395.282 2.232 20 30 GEEDLO CCN1OC[C@H]([NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932949686 654796364 /nfs/dbraw/zinc/79/63/64/654796364.db2.gz QALLAWATZVBPEA-FXQIFTODSA-N 1 2 382.251 2.252 20 30 GEEDLO Cc1csc(C[C@@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)n1 ZINC000933125009 654803033 /nfs/dbraw/zinc/80/30/33/654803033.db2.gz DAFLIGHSZGBBCH-AWEZNQCLSA-N 1 2 376.507 2.057 20 30 GEEDLO Cc1csc(C[C@@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)n1 ZINC000933125009 654803035 /nfs/dbraw/zinc/80/30/35/654803035.db2.gz DAFLIGHSZGBBCH-AWEZNQCLSA-N 1 2 376.507 2.057 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(CC#N)cc1Cl ZINC001164708039 719875214 /nfs/dbraw/zinc/87/52/14/719875214.db2.gz XHIWHWPEKHVISL-HNAYVOBHSA-N 1 2 392.887 2.034 20 30 GEEDLO C=CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000067400028 531884070 /nfs/dbraw/zinc/88/40/70/531884070.db2.gz VCWZTCFKGCTFKJ-CQSZACIVSA-N 1 2 386.901 2.352 20 30 GEEDLO C=CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000067400028 531884081 /nfs/dbraw/zinc/88/40/81/531884081.db2.gz VCWZTCFKGCTFKJ-CQSZACIVSA-N 1 2 386.901 2.352 20 30 GEEDLO C[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000171418095 531906278 /nfs/dbraw/zinc/90/62/78/531906278.db2.gz BUTWKRVHAZZICW-GFCCVEGCSA-N 1 2 379.482 2.484 20 30 GEEDLO C[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000171418095 531906287 /nfs/dbraw/zinc/90/62/87/531906287.db2.gz BUTWKRVHAZZICW-GFCCVEGCSA-N 1 2 379.482 2.484 20 30 GEEDLO N#Cc1ccc(F)c(CS(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000120790614 531994013 /nfs/dbraw/zinc/99/40/13/531994013.db2.gz ZSVAVACXYZJALP-UHFFFAOYSA-N 1 2 379.482 2.237 20 30 GEEDLO N#Cc1ccc(F)c(CS(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000120790614 531994019 /nfs/dbraw/zinc/99/40/19/531994019.db2.gz ZSVAVACXYZJALP-UHFFFAOYSA-N 1 2 379.482 2.237 20 30 GEEDLO CC[N@@H+]1CCc2nc(NC(=O)c3cc(C#N)c(SC)[nH]c3=O)sc2C1 ZINC000121103544 532013807 /nfs/dbraw/zinc/01/38/07/532013807.db2.gz DADOVNBGAJJDBJ-UHFFFAOYSA-N 1 2 375.479 2.055 20 30 GEEDLO CC[N@H+]1CCc2nc(NC(=O)c3cc(C#N)c(SC)[nH]c3=O)sc2C1 ZINC000121103544 532013813 /nfs/dbraw/zinc/01/38/13/532013813.db2.gz DADOVNBGAJJDBJ-UHFFFAOYSA-N 1 2 375.479 2.055 20 30 GEEDLO Cc1ccc(Br)cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000124823271 532131154 /nfs/dbraw/zinc/13/11/54/532131154.db2.gz SBRVDMJXQOFOPX-UHFFFAOYSA-N 1 2 380.286 2.446 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cc(Br)ccc1F ZINC000125487727 532136549 /nfs/dbraw/zinc/13/65/49/532136549.db2.gz PZWVBFYCOHZWTJ-UHFFFAOYSA-N 1 2 398.276 2.205 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000626584915 532440636 /nfs/dbraw/zinc/44/06/36/532440636.db2.gz SZNPGUGRIBZZEW-ZDUSSCGKSA-N 1 2 384.274 2.466 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000626584915 532440645 /nfs/dbraw/zinc/44/06/45/532440645.db2.gz SZNPGUGRIBZZEW-ZDUSSCGKSA-N 1 2 384.274 2.466 20 30 GEEDLO CN(Cc1[nH+]ccn1C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592747169 532459257 /nfs/dbraw/zinc/45/92/57/532459257.db2.gz MDLGMVRJIALDTK-UHFFFAOYSA-N 1 2 388.269 2.149 20 30 GEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000593155207 532472419 /nfs/dbraw/zinc/47/24/19/532472419.db2.gz AKRDWTODKFCLAW-QGZVFWFLSA-N 1 2 382.917 2.214 20 30 GEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(I)ccc1F ZINC000519652096 532472888 /nfs/dbraw/zinc/47/28/88/532472888.db2.gz OCRIWDVFUPPZFI-ZDUSSCGKSA-N 1 2 375.185 2.004 20 30 GEEDLO Cn1ccnc1Sc1ncc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1Cl ZINC000593154735 532473313 /nfs/dbraw/zinc/47/33/13/532473313.db2.gz WJUZDVCPROCRJK-INIZCTEOSA-N 1 2 378.889 2.193 20 30 GEEDLO N#Cc1cc(F)ccc1CS(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000296538270 532527473 /nfs/dbraw/zinc/52/74/73/532527473.db2.gz DWSGKVUPMUIGNG-UHFFFAOYSA-N 1 2 379.482 2.237 20 30 GEEDLO N#Cc1cc(F)ccc1CS(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000296538270 532527481 /nfs/dbraw/zinc/52/74/81/532527481.db2.gz DWSGKVUPMUIGNG-UHFFFAOYSA-N 1 2 379.482 2.237 20 30 GEEDLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000594794486 532530651 /nfs/dbraw/zinc/53/06/51/532530651.db2.gz KJXRSBLDPYAKGA-CYBMUJFWSA-N 1 2 383.901 2.085 20 30 GEEDLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000594794486 532530655 /nfs/dbraw/zinc/53/06/55/532530655.db2.gz KJXRSBLDPYAKGA-CYBMUJFWSA-N 1 2 383.901 2.085 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000377086002 532641444 /nfs/dbraw/zinc/64/14/44/532641444.db2.gz GKDVIQMBXQUTSA-HNNXBMFYSA-N 1 2 376.400 2.111 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000377086002 532641447 /nfs/dbraw/zinc/64/14/47/532641447.db2.gz GKDVIQMBXQUTSA-HNNXBMFYSA-N 1 2 376.400 2.111 20 30 GEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCO)CCOCC(F)(F)F ZINC000264914102 532683119 /nfs/dbraw/zinc/68/31/19/532683119.db2.gz KMMOMZHMXPJRCX-UHFFFAOYSA-N 1 2 379.766 2.023 20 30 GEEDLO N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCO)CCOCC(F)(F)F ZINC000264914102 532683123 /nfs/dbraw/zinc/68/31/23/532683123.db2.gz KMMOMZHMXPJRCX-UHFFFAOYSA-N 1 2 379.766 2.023 20 30 GEEDLO CN1CCC[C@H]([NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O ZINC000541854023 532760283 /nfs/dbraw/zinc/76/02/83/532760283.db2.gz ONHRYTXVJGRNHV-DLBZAZTESA-N 1 2 391.313 2.252 20 30 GEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000548457060 532791750 /nfs/dbraw/zinc/79/17/50/532791750.db2.gz CFSSTMPBMITHHB-HOTGVXAUSA-N 1 2 383.901 2.133 20 30 GEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H](c3cncc(Br)c3)C3CC3)C[C@H]21 ZINC000329392641 532806196 /nfs/dbraw/zinc/80/61/96/532806196.db2.gz UFCSBCSCROSSQA-OAGGEKHMSA-N 1 2 395.301 2.224 20 30 GEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H](c3cncc(Br)c3)C3CC3)C[C@H]21 ZINC000329392641 532806200 /nfs/dbraw/zinc/80/62/00/532806200.db2.gz UFCSBCSCROSSQA-OAGGEKHMSA-N 1 2 395.301 2.224 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Br)cc1C#N ZINC000287786648 532809183 /nfs/dbraw/zinc/80/91/83/532809183.db2.gz NTMABUDBJCGDDU-UHFFFAOYSA-N 1 2 377.286 2.369 20 30 GEEDLO C[C@H](C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)S(=O)(=O)C1CCOCC1 ZINC000330026146 532813866 /nfs/dbraw/zinc/81/38/66/532813866.db2.gz BHZSIPUESJDHRU-LLVKDONJSA-N 1 2 385.873 2.427 20 30 GEEDLO CCn1c(SC[C@H](O)C[N@H+](C)CCC#N)nc2sc(C)c(C)c2c1=O ZINC000414096578 532818629 /nfs/dbraw/zinc/81/86/29/532818629.db2.gz LUVNCDNPHQPVFG-CYBMUJFWSA-N 1 2 380.539 2.393 20 30 GEEDLO CCn1c(SC[C@H](O)C[N@@H+](C)CCC#N)nc2sc(C)c(C)c2c1=O ZINC000414096578 532818632 /nfs/dbraw/zinc/81/86/32/532818632.db2.gz LUVNCDNPHQPVFG-CYBMUJFWSA-N 1 2 380.539 2.393 20 30 GEEDLO Cc1cc(Br)cn2cc(CCNS(=O)(=O)CCCC#N)[nH+]c12 ZINC000273416220 532823681 /nfs/dbraw/zinc/82/36/81/532823681.db2.gz JTDJXBPLZKHOBK-UHFFFAOYSA-N 1 2 385.287 2.171 20 30 GEEDLO C[C@@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)Cn1cc[nH+]c1 ZINC000414470084 532830165 /nfs/dbraw/zinc/83/01/65/532830165.db2.gz NRJIVDCJVVPUQM-NSHDSACASA-N 1 2 383.271 2.132 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1OC ZINC000414557551 532831403 /nfs/dbraw/zinc/83/14/03/532831403.db2.gz LUXMRCUZSODJEK-DZGCQCFKSA-N 1 2 386.286 2.198 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)cc1OC ZINC000414557551 532831406 /nfs/dbraw/zinc/83/14/06/532831406.db2.gz LUXMRCUZSODJEK-DZGCQCFKSA-N 1 2 386.286 2.198 20 30 GEEDLO Cc1cc(Br)cn2cc(CNC(=O)C3(C#N)CCOCC3)[nH+]c12 ZINC000274030548 532839950 /nfs/dbraw/zinc/83/99/50/532839950.db2.gz SEOYWWSLHABLOC-UHFFFAOYSA-N 1 2 377.242 2.342 20 30 GEEDLO Cc1cc(C(N)=[NH+]OCc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)ccc1F ZINC000822192127 599385034 /nfs/dbraw/zinc/38/50/34/599385034.db2.gz ZUNSRZXOCFHLEF-UHFFFAOYSA-N 1 2 394.370 2.201 20 30 GEEDLO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000826183638 607466538 /nfs/dbraw/zinc/46/65/38/607466538.db2.gz VWOSXZXARHUELV-IBGZPJMESA-N 1 2 389.463 2.258 20 30 GEEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccccc1 ZINC000819697716 606074830 /nfs/dbraw/zinc/07/48/30/606074830.db2.gz JVFKAWNSLPSIBZ-UHFFFAOYSA-N 1 2 391.479 2.227 20 30 GEEDLO C#CC[N@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccccc1 ZINC000819697716 606074836 /nfs/dbraw/zinc/07/48/36/606074836.db2.gz JVFKAWNSLPSIBZ-UHFFFAOYSA-N 1 2 391.479 2.227 20 30 GEEDLO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826387854 608655228 /nfs/dbraw/zinc/65/52/28/608655228.db2.gz UWFAAAYVEVCMMK-UHFFFAOYSA-N 1 2 386.419 2.202 20 30 GEEDLO Cc1ccnc(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)c1C#N ZINC000826311220 609544665 /nfs/dbraw/zinc/54/46/65/609544665.db2.gz XHMRLSSDISFEJU-UHFFFAOYSA-N 1 2 397.446 2.317 20 30 GEEDLO C[C@@H](CNC(=O)COc1cccc(Br)c1C#N)Cn1cc[nH+]c1 ZINC000449959629 650056880 /nfs/dbraw/zinc/05/68/80/650056880.db2.gz MTZRXSMYIHUVGC-LBPRGKRZSA-N 1 2 377.242 2.349 20 30 GEEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cccc(C#N)c1Br ZINC000451822370 650145105 /nfs/dbraw/zinc/14/51/05/650145105.db2.gz KCAQRYJFMAJZKN-IUODEOHRSA-N 1 2 378.270 2.256 20 30 GEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485101953 650693145 /nfs/dbraw/zinc/69/31/45/650693145.db2.gz FOHIURNEKGAACM-GFCCVEGCSA-N 1 2 388.331 2.313 20 30 GEEDLO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000485101953 650693147 /nfs/dbraw/zinc/69/31/47/650693147.db2.gz FOHIURNEKGAACM-GFCCVEGCSA-N 1 2 388.331 2.313 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246824350 645496040 /nfs/dbraw/zinc/49/60/40/645496040.db2.gz NWKDSSRCHNKJPV-WBAXXEDZSA-N 1 2 387.929 2.454 20 30 GEEDLO C=CC[N@H+](C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246824350 645496043 /nfs/dbraw/zinc/49/60/43/645496043.db2.gz NWKDSSRCHNKJPV-WBAXXEDZSA-N 1 2 387.929 2.454 20 30 GEEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000283532926 646823600 /nfs/dbraw/zinc/82/36/00/646823600.db2.gz MLAGVWQFIXCYJA-UHFFFAOYSA-N 1 2 384.299 2.037 20 30 GEEDLO C#CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000288353748 646915081 /nfs/dbraw/zinc/91/50/81/646915081.db2.gz MWUQQOYQOREBQT-UHFFFAOYSA-N 1 2 385.327 2.356 20 30 GEEDLO N#CCC1(O)CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000329963883 647326347 /nfs/dbraw/zinc/32/63/47/647326347.db2.gz QFJHRSTXJFWUGA-HNNXBMFYSA-N 1 2 378.270 2.073 20 30 GEEDLO N#Cc1c(NC[C@]2([NH+]3CCOCC3)CCSC2)nc2cc(Cl)ccn21 ZINC000376089637 647839300 /nfs/dbraw/zinc/83/93/00/647839300.db2.gz WCNNSLDSCYPBGH-QGZVFWFLSA-N 1 2 377.901 2.479 20 30 GEEDLO C#CCC[NH+]1CCN(S(=O)(=O)/C=C\c2cccc(Br)c2)CC1 ZINC000727454720 651522112 /nfs/dbraw/zinc/52/21/12/651522112.db2.gz HXWOEWFYMKZLES-QPEQYQDCSA-N 1 2 383.311 2.391 20 30 GEEDLO N#CC1(CS(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000578920129 652303583 /nfs/dbraw/zinc/30/35/83/652303583.db2.gz XQQBLMSJNMOFTK-KRWDZBQOSA-N 1 2 379.551 2.217 20 30 GEEDLO N#CC1(CS(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CCC1 ZINC000578920129 652303590 /nfs/dbraw/zinc/30/35/90/652303590.db2.gz XQQBLMSJNMOFTK-KRWDZBQOSA-N 1 2 379.551 2.217 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(I)ccc2F)CC1 ZINC000762184278 652679309 /nfs/dbraw/zinc/67/93/09/652679309.db2.gz HDNIVDUHPPWVAY-UHFFFAOYSA-N 1 2 386.208 2.211 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598950894 652842728 /nfs/dbraw/zinc/84/27/28/652842728.db2.gz VUTOELQIIRMQEO-LLVKDONJSA-N 1 2 375.226 2.027 20 30 GEEDLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1cc(CC#N)cc[nH+]1 ZINC000767290467 652918321 /nfs/dbraw/zinc/91/83/21/652918321.db2.gz IWSVJEHRYPXKBX-CYBMUJFWSA-N 1 2 379.873 2.278 20 30 GEEDLO N#Cc1sccc1S(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601518339 653105271 /nfs/dbraw/zinc/10/52/71/653105271.db2.gz YNEBOEJNDGUQIH-UHFFFAOYSA-N 1 2 380.520 2.046 20 30 GEEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000640884481 653143869 /nfs/dbraw/zinc/14/38/69/653143869.db2.gz OWPMLDNGAWXOMO-UHFFFAOYSA-N 1 2 380.279 2.356 20 30 GEEDLO C[C@H](CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000602433145 653180496 /nfs/dbraw/zinc/18/04/96/653180496.db2.gz KIMHSMIKEQOZPO-GFCCVEGCSA-N 1 2 375.416 2.350 20 30 GEEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CCCO1 ZINC000775796093 653329524 /nfs/dbraw/zinc/32/95/24/653329524.db2.gz SNGQNSCHARZBJU-DLBZAZTESA-N 1 2 376.503 2.484 20 30 GEEDLO C#CC[C@@H](COC)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000858358962 653360995 /nfs/dbraw/zinc/36/09/95/653360995.db2.gz OSQQNEBJXSHAMA-HNNXBMFYSA-N 1 2 393.285 2.285 20 30 GEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000778435545 653444549 /nfs/dbraw/zinc/44/45/49/653444549.db2.gz KUEWMKYRESPXFP-HOTGVXAUSA-N 1 2 380.275 2.313 20 30 GEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000778435545 653444560 /nfs/dbraw/zinc/44/45/60/653444560.db2.gz KUEWMKYRESPXFP-HOTGVXAUSA-N 1 2 380.275 2.313 20 30 GEEDLO COc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947585 653672638 /nfs/dbraw/zinc/67/26/38/653672638.db2.gz BNEYXRACPPKKFF-UHFFFAOYSA-N 1 2 392.253 2.411 20 30 GEEDLO C#CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000865825770 653776423 /nfs/dbraw/zinc/77/64/23/653776423.db2.gz GJYIIQVBOVOEAQ-ZBFHGGJFSA-N 1 2 390.237 2.191 20 30 GEEDLO C[NH+](C)CCCNC(=O)CC1SC(=Nc2ccsc2)N(C2CC2)C1=O ZINC000790740928 653796469 /nfs/dbraw/zinc/79/64/69/653796469.db2.gz GIQPNHQTBZFYJQ-AWEZNQCLSA-N 1 2 380.539 2.300 20 30 GEEDLO C[NH+](C)CCCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(C2CC2)C1=O ZINC000790740928 653796472 /nfs/dbraw/zinc/79/64/72/653796472.db2.gz GIQPNHQTBZFYJQ-AWEZNQCLSA-N 1 2 380.539 2.300 20 30 GEEDLO C#CCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000822592256 653833152 /nfs/dbraw/zinc/83/31/52/653833152.db2.gz AQMKIFUJABZKHB-UHFFFAOYSA-N 1 2 380.242 2.319 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(c2cc(Br)ccc2OC)CC1 ZINC000884372918 653874450 /nfs/dbraw/zinc/87/44/50/653874450.db2.gz XEXYWFSXDNDZKC-ZDUSSCGKSA-N 1 2 397.269 2.010 20 30 GEEDLO CN(C)S(=O)(=O)c1ccc(C(=O)/C=C\c2ncc(C[NH+](C)C)s2)cc1 ZINC000794696615 653916956 /nfs/dbraw/zinc/91/69/56/653916956.db2.gz VHCAFCXDQHDTGV-KTKRTIGZSA-N 1 2 379.507 2.351 20 30 GEEDLO Cc1nn(C)c(N2CC[NH+](Cc3ccc(Br)cc3O)CC2)c1C#N ZINC000825667361 653936826 /nfs/dbraw/zinc/93/68/26/653936826.db2.gz XMMIWSVNUADINK-UHFFFAOYSA-N 1 2 390.285 2.391 20 30 GEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)Cc2cccc(Br)c2)CC1 ZINC000795511395 653956915 /nfs/dbraw/zinc/95/69/15/653956915.db2.gz GRFAAMAAWSKUFZ-UHFFFAOYSA-N 1 2 378.266 2.449 20 30 GEEDLO CNC(=O)CC1SC(=Nc2cccc(Cl)c2)N(C[C@H]2CC[N@@H+]2C)C1=O ZINC000901542163 654129825 /nfs/dbraw/zinc/12/98/25/654129825.db2.gz HZLYYFQBZPIBTM-ZIAGYGMSSA-N 1 2 380.901 2.112 20 30 GEEDLO CNC(=O)CC1SC(=Nc2cccc(Cl)c2)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000901542163 654129834 /nfs/dbraw/zinc/12/98/34/654129834.db2.gz HZLYYFQBZPIBTM-ZIAGYGMSSA-N 1 2 380.901 2.112 20 30 GEEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000801950263 654212612 /nfs/dbraw/zinc/21/26/12/654212612.db2.gz WOUGKQMBFZUEAA-ZDUSSCGKSA-N 1 2 386.279 2.445 20 30 GEEDLO C[C@H](CNS(=O)(=O)c1ccc(Br)c(C#N)c1)Cn1cc[nH+]c1 ZINC000903636512 654270967 /nfs/dbraw/zinc/27/09/67/654270967.db2.gz IKEKPYFKIHOADZ-LLVKDONJSA-N 1 2 383.271 2.132 20 30 GEEDLO N#Cc1sc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nc1Cl ZINC000804398651 654308771 /nfs/dbraw/zinc/30/87/71/654308771.db2.gz OPOSHUQGIMAPJL-UHFFFAOYSA-N 1 2 376.873 2.214 20 30 GEEDLO C#CCC[N@@H+](CCOC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000853620931 654311122 /nfs/dbraw/zinc/31/11/22/654311122.db2.gz KASHLPUDIOFHDM-UHFFFAOYSA-N 1 2 396.241 2.242 20 30 GEEDLO C#CCC[N@H+](CCOC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000853620931 654311127 /nfs/dbraw/zinc/31/11/27/654311127.db2.gz KASHLPUDIOFHDM-UHFFFAOYSA-N 1 2 396.241 2.242 20 30 GEEDLO CCN1OC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932949689 654796340 /nfs/dbraw/zinc/79/63/40/654796340.db2.gz QALLAWATZVBPEA-RNJXMRFFSA-N 1 2 382.251 2.252 20 30 GEEDLO CCN1OC[C@H]([N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932949689 654796341 /nfs/dbraw/zinc/79/63/41/654796341.db2.gz QALLAWATZVBPEA-RNJXMRFFSA-N 1 2 382.251 2.252 20 30 GEEDLO C[N@H+](Cc1nccs1)[C@H]1CC12CCN(S(=O)(=O)CC(C)(C)C#N)CC2 ZINC000915321635 654868228 /nfs/dbraw/zinc/86/82/28/654868228.db2.gz GCXDZZPORLFNKG-AWEZNQCLSA-N 1 2 382.555 2.309 20 30 GEEDLO C[N@@H+](Cc1nccs1)[C@H]1CC12CCN(S(=O)(=O)CC(C)(C)C#N)CC2 ZINC000915321635 654868231 /nfs/dbraw/zinc/86/82/31/654868231.db2.gz GCXDZZPORLFNKG-AWEZNQCLSA-N 1 2 382.555 2.309 20 30 GEEDLO C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC000981900091 654944301 /nfs/dbraw/zinc/94/43/01/654944301.db2.gz WJKJMMKEKRAAIH-LEOABGAYSA-N 1 2 381.314 2.243 20 30 GEEDLO C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1 ZINC000981900091 654944306 /nfs/dbraw/zinc/94/43/06/654944306.db2.gz WJKJMMKEKRAAIH-LEOABGAYSA-N 1 2 381.314 2.243 20 30 GEEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C2(C#N)CCC2)cn1 ZINC001164701885 719854091 /nfs/dbraw/zinc/85/40/91/719854091.db2.gz LMBGQBBSCXMAOE-RXVVDRJESA-N 1 2 398.507 2.260 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnc2ccc(Br)cn12 ZINC000154748059 531630726 /nfs/dbraw/zinc/63/07/26/531630726.db2.gz UHRCVYOYHPEUKP-UHFFFAOYSA-N 1 2 392.301 2.145 20 30 GEEDLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@@H+]1CCOC ZINC000166035033 531875027 /nfs/dbraw/zinc/87/50/27/531875027.db2.gz ZSWNIWHQOWOJJB-OAHLLOKOSA-N 1 2 385.917 2.333 20 30 GEEDLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC[N@H+]1CCOC ZINC000166035033 531875038 /nfs/dbraw/zinc/87/50/38/531875038.db2.gz ZSWNIWHQOWOJJB-OAHLLOKOSA-N 1 2 385.917 2.333 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(F)ccc1Br ZINC000071818980 531915266 /nfs/dbraw/zinc/91/52/66/531915266.db2.gz WGPXRWMUJDQNNN-UHFFFAOYSA-N 1 2 384.249 2.276 20 30 GEEDLO CCCNC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120982418 532005599 /nfs/dbraw/zinc/00/55/99/532005599.db2.gz LCQLWCHPVMHKQM-MRXNPFEDSA-N 1 2 379.302 2.158 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1Cl ZINC000173897038 532040718 /nfs/dbraw/zinc/04/07/18/532040718.db2.gz VUGRJVCTGBQLBN-OAHLLOKOSA-N 1 2 383.901 2.087 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1sccc1Br ZINC000294615806 532372176 /nfs/dbraw/zinc/37/21/76/532372176.db2.gz RCHMQPIUTMGPLE-UHFFFAOYSA-N 1 2 386.315 2.128 20 30 GEEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000516899093 532395404 /nfs/dbraw/zinc/39/54/04/532395404.db2.gz WLNHQTWSNYTTPW-CQSZACIVSA-N 1 2 375.416 2.481 20 30 GEEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000516899093 532395407 /nfs/dbraw/zinc/39/54/07/532395407.db2.gz WLNHQTWSNYTTPW-CQSZACIVSA-N 1 2 375.416 2.481 20 30 GEEDLO N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000592743708 532459150 /nfs/dbraw/zinc/45/91/50/532459150.db2.gz HIJGKUHVDHVMDX-UHFFFAOYSA-N 1 2 388.269 2.160 20 30 GEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000594770510 532525261 /nfs/dbraw/zinc/52/52/61/532525261.db2.gz JFNGFRUTTDWRJU-UHFFFAOYSA-N 1 2 379.507 2.082 20 30 GEEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000594770510 532525267 /nfs/dbraw/zinc/52/52/67/532525267.db2.gz JFNGFRUTTDWRJU-UHFFFAOYSA-N 1 2 379.507 2.082 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245871272 532526224 /nfs/dbraw/zinc/52/62/24/532526224.db2.gz MBYGCCHMVYXTCY-IRXDYDNUSA-N 1 2 380.535 2.318 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245871272 532526230 /nfs/dbraw/zinc/52/62/30/532526230.db2.gz MBYGCCHMVYXTCY-IRXDYDNUSA-N 1 2 380.535 2.318 20 30 GEEDLO C=CCCSCCNC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000595170067 532547041 /nfs/dbraw/zinc/54/70/41/532547041.db2.gz QQRDKANHFWYLAF-OAHLLOKOSA-N 1 2 381.567 2.379 20 30 GEEDLO Cc1nc(N2CCN(c3nccnc3C#N)C[C@H]2C)c(Br)c(C)[nH+]1 ZINC000596162967 532589216 /nfs/dbraw/zinc/58/92/16/532589216.db2.gz PMTWALHIORMPIV-SNVBAGLBSA-N 1 2 388.273 2.233 20 30 GEEDLO C[C@H](CCC#N)[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000297858862 532610257 /nfs/dbraw/zinc/61/02/57/532610257.db2.gz LUBJKEQAIRIZOG-CYBMUJFWSA-N 1 2 386.315 2.448 20 30 GEEDLO N#Cc1ccc(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c(Br)c1 ZINC000481058237 532665507 /nfs/dbraw/zinc/66/55/07/532665507.db2.gz NTJDBODAVRKRKT-LBPRGKRZSA-N 1 2 381.192 2.428 20 30 GEEDLO N#Cc1ccc(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)c(Br)c1 ZINC000481058237 532665513 /nfs/dbraw/zinc/66/55/13/532665513.db2.gz NTJDBODAVRKRKT-LBPRGKRZSA-N 1 2 381.192 2.428 20 30 GEEDLO N#Cc1ccc(OCC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)cc1Br ZINC000567323066 532649561 /nfs/dbraw/zinc/64/95/61/532649561.db2.gz MJZCMSMPVIFLFX-NSHDSACASA-N 1 2 375.226 2.096 20 30 GEEDLO N#Cc1ccc(OCC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)cc1Br ZINC000567323066 532649567 /nfs/dbraw/zinc/64/95/67/532649567.db2.gz MJZCMSMPVIFLFX-NSHDSACASA-N 1 2 375.226 2.096 20 30 GEEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)N(C)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539114935 532723802 /nfs/dbraw/zinc/72/38/02/532723802.db2.gz QGVLWUYMCDGOQA-JKSUJKDBSA-N 1 2 388.896 2.294 20 30 GEEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)N(C)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539114935 532723806 /nfs/dbraw/zinc/72/38/06/532723806.db2.gz QGVLWUYMCDGOQA-JKSUJKDBSA-N 1 2 388.896 2.294 20 30 GEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)Nc2cccc(Br)c2)C1=O ZINC000499957982 532729158 /nfs/dbraw/zinc/72/91/58/532729158.db2.gz VDEJPOOYBLZMPP-IUODEOHRSA-N 1 2 380.286 2.495 20 30 GEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)Nc2cccc(Br)c2)C1=O ZINC000499957982 532729164 /nfs/dbraw/zinc/72/91/64/532729164.db2.gz VDEJPOOYBLZMPP-IUODEOHRSA-N 1 2 380.286 2.495 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000411403829 532760156 /nfs/dbraw/zinc/76/01/56/532760156.db2.gz CSKQZHBUPKETOU-LBPRGKRZSA-N 1 2 396.285 2.115 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000411403829 532760158 /nfs/dbraw/zinc/76/01/58/532760158.db2.gz CSKQZHBUPKETOU-LBPRGKRZSA-N 1 2 396.285 2.115 20 30 GEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C1CC1 ZINC000510436124 532773066 /nfs/dbraw/zinc/77/30/66/532773066.db2.gz OKIYENMMKAEWJU-AWEZNQCLSA-N 1 2 395.282 2.484 20 30 GEEDLO C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[S@](=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328925939 532800455 /nfs/dbraw/zinc/80/04/55/532800455.db2.gz OOAGVQPSMWPZQJ-VOCOBBJZSA-N 1 2 387.908 2.497 20 30 GEEDLO C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[S@](=O)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000328925939 532800457 /nfs/dbraw/zinc/80/04/57/532800457.db2.gz OOAGVQPSMWPZQJ-VOCOBBJZSA-N 1 2 387.908 2.497 20 30 GEEDLO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000330511921 532820535 /nfs/dbraw/zinc/82/05/35/532820535.db2.gz RUQBCPWDYSNPFI-LBPRGKRZSA-N 1 2 383.290 2.010 20 30 GEEDLO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCCN(C(=O)c4ccco4)CC3)C2=O)cc1 ZINC000359936567 209203962 /nfs/dbraw/zinc/20/39/62/209203962.db2.gz NECARRICSCOTIO-GOSISDBHSA-N 1 2 378.432 2.105 20 30 GEEDLO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCCN(C(=O)c4ccco4)CC3)C2=O)cc1 ZINC000359936567 209203966 /nfs/dbraw/zinc/20/39/66/209203966.db2.gz NECARRICSCOTIO-GOSISDBHSA-N 1 2 378.432 2.105 20 30 GEEDLO Cc1cc(Br)cn2cc(CCNS(=O)(=O)CC3(C#N)CC3)[nH+]c12 ZINC000274216838 532844658 /nfs/dbraw/zinc/84/46/58/532844658.db2.gz MNNIVFPYMDXNNM-UHFFFAOYSA-N 1 2 397.298 2.171 20 30 GEEDLO Cc1cnc(C2CC[NH+](CCS(=O)(=O)c3ccc(C#N)cn3)CC2)s1 ZINC000289586126 532859957 /nfs/dbraw/zinc/85/99/57/532859957.db2.gz ZITWQEKVAPJERH-UHFFFAOYSA-N 1 2 376.507 2.372 20 30 GEEDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)C2 ZINC000365506864 532910881 /nfs/dbraw/zinc/91/08/81/532910881.db2.gz WUVNSKAJQCSOFJ-GFCCVEGCSA-N 1 2 395.282 2.119 20 30 GEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)nc1 ZINC000366395448 532917009 /nfs/dbraw/zinc/91/70/09/532917009.db2.gz GQQTVHYVNOBLDW-ZDUSSCGKSA-N 1 2 376.869 2.438 20 30 GEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)nc1 ZINC000366395448 532917011 /nfs/dbraw/zinc/91/70/11/532917011.db2.gz GQQTVHYVNOBLDW-ZDUSSCGKSA-N 1 2 376.869 2.438 20 30 GEEDLO N#CCOc1ccc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737694181 598812943 /nfs/dbraw/zinc/81/29/43/598812943.db2.gz BCHMNCCPESVSLM-UHFFFAOYSA-N 1 2 389.463 2.087 20 30 GEEDLO N#Cc1ccc(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)cn1 ZINC000822829651 606064603 /nfs/dbraw/zinc/06/46/03/606064603.db2.gz BSCVGSFQFHPUPY-UHFFFAOYSA-N 1 2 383.419 2.008 20 30 GEEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000822819613 607059071 /nfs/dbraw/zinc/05/90/71/607059071.db2.gz YGDKMTQQQDHEKQ-UHFFFAOYSA-N 1 2 381.390 2.339 20 30 GEEDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1-c1nn[nH]n1 ZINC000826195173 608067581 /nfs/dbraw/zinc/06/75/81/608067581.db2.gz KKCWDCDDKLPTAP-LJQANCHMSA-N 1 2 376.420 2.320 20 30 GEEDLO COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1-c1nn[nH]n1 ZINC000826195173 608067582 /nfs/dbraw/zinc/06/75/82/608067582.db2.gz KKCWDCDDKLPTAP-LJQANCHMSA-N 1 2 376.420 2.320 20 30 GEEDLO N#Cc1ccc(C2=CC[N@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826385075 608460344 /nfs/dbraw/zinc/46/03/44/608460344.db2.gz WDOPPVKIRJNCHA-LJQANCHMSA-N 1 2 385.431 2.054 20 30 GEEDLO N#Cc1ccc(C2=CC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826385075 608460345 /nfs/dbraw/zinc/46/03/45/608460345.db2.gz WDOPPVKIRJNCHA-LJQANCHMSA-N 1 2 385.431 2.054 20 30 GEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Br)cc1C#N ZINC000451926718 650154262 /nfs/dbraw/zinc/15/42/62/650154262.db2.gz MLQDPJPTZXXKBU-SWLSCSKDSA-N 1 2 378.270 2.256 20 30 GEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000514623762 650575215 /nfs/dbraw/zinc/57/52/15/650575215.db2.gz ZWVYLEJINZWZMZ-CYBMUJFWSA-N 1 2 391.313 2.105 20 30 GEEDLO Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000525388893 650653818 /nfs/dbraw/zinc/65/38/18/650653818.db2.gz UEDJLDDKGXDQBY-UHFFFAOYSA-N 1 2 375.519 2.477 20 30 GEEDLO CC[N@H+](CCNS(=O)(=O)c1c(F)cc(C#N)cc1F)CCC(F)(F)F ZINC000494404983 650806890 /nfs/dbraw/zinc/80/68/90/650806890.db2.gz LKSPHSCWCGIPLZ-UHFFFAOYSA-N 1 2 385.358 2.389 20 30 GEEDLO CC[N@@H+](CCNS(=O)(=O)c1c(F)cc(C#N)cc1F)CCC(F)(F)F ZINC000494404983 650806892 /nfs/dbraw/zinc/80/68/92/650806892.db2.gz LKSPHSCWCGIPLZ-UHFFFAOYSA-N 1 2 385.358 2.389 20 30 GEEDLO CN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000111351402 643336454 /nfs/dbraw/zinc/33/64/54/643336454.db2.gz CZVYNJAOKPCNCP-OAHLLOKOSA-N 1 2 388.896 2.123 20 30 GEEDLO CN(CCC#N)S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000111351402 643336456 /nfs/dbraw/zinc/33/64/56/643336456.db2.gz CZVYNJAOKPCNCP-OAHLLOKOSA-N 1 2 388.896 2.123 20 30 GEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000180891506 644516849 /nfs/dbraw/zinc/51/68/49/644516849.db2.gz XDSKMZDGRSWNLF-CYBMUJFWSA-N 1 2 391.313 2.105 20 30 GEEDLO C[C@H](C#N)S(=O)(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000416652922 648203181 /nfs/dbraw/zinc/20/31/81/648203181.db2.gz TWEFGOXCDLPTLN-GFCCVEGCSA-N 1 2 386.315 2.245 20 30 GEEDLO N#Cc1ccc2ncc(C[NH2+][C@H](C(N)=O)c3cccc(Br)c3)n2c1 ZINC000560274884 651305957 /nfs/dbraw/zinc/30/59/57/651305957.db2.gz OIIXHQUUFUJPHV-INIZCTEOSA-N 1 2 384.237 2.285 20 30 GEEDLO CCOC1CC(CNc2cc(C#N)c(Br)cn2)([NH+]2CCOCC2)C1 ZINC000603357645 651483985 /nfs/dbraw/zinc/48/39/85/651483985.db2.gz FSSKYJGTZQVOQW-UHFFFAOYSA-N 1 2 395.301 2.398 20 30 GEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000568662774 651675125 /nfs/dbraw/zinc/67/51/25/651675125.db2.gz JZOWVPJLLXKMJD-MRXNPFEDSA-N 1 2 383.901 2.087 20 30 GEEDLO CCN(C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1)S(C)(=O)=O ZINC000735309911 651776428 /nfs/dbraw/zinc/77/64/28/651776428.db2.gz WJQXHHUTZCPTAK-UHFFFAOYSA-N 1 2 385.917 2.488 20 30 GEEDLO C=CC[C@@H]1CC[N@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625699239 652367934 /nfs/dbraw/zinc/36/79/34/652367934.db2.gz BTDLLYCVDLJVFT-CVEARBPZSA-N 1 2 382.551 2.162 20 30 GEEDLO C=CC[C@@H]1CC[N@@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625699239 652367937 /nfs/dbraw/zinc/36/79/37/652367937.db2.gz BTDLLYCVDLJVFT-CVEARBPZSA-N 1 2 382.551 2.162 20 30 GEEDLO Cc1cc2c(c(Br)c1)NC(=O)C2=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753936632 652420820 /nfs/dbraw/zinc/42/08/20/652420820.db2.gz ADMYTIBXCAJUCJ-VXGBXAGGSA-N 1 2 376.258 2.274 20 30 GEEDLO N#Cc1ccc(OCC(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1Br ZINC000598947753 652841655 /nfs/dbraw/zinc/84/16/55/652841655.db2.gz LWPUTORATBNVHM-LBPRGKRZSA-N 1 2 375.226 2.027 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000676701877 653104178 /nfs/dbraw/zinc/10/41/78/653104178.db2.gz NLZSSYOWKKMOSW-OLZOCXBDSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000676701877 653104179 /nfs/dbraw/zinc/10/41/79/653104179.db2.gz NLZSSYOWKKMOSW-OLZOCXBDSA-N 1 2 394.320 2.408 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000601517529 653105329 /nfs/dbraw/zinc/10/53/29/653105329.db2.gz UNBXEVIXGVHMGJ-UHFFFAOYSA-N 1 2 380.520 2.046 20 30 GEEDLO CC#CC[NH2+]Cc1cn([C@H](C)C(=O)Nc2cccc(Br)c2)nn1 ZINC000640879739 653143647 /nfs/dbraw/zinc/14/36/47/653143647.db2.gz HJSKYIAFABKVJA-GFCCVEGCSA-N 1 2 376.258 2.353 20 30 GEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641103400 653156147 /nfs/dbraw/zinc/15/61/47/653156147.db2.gz BXBKWXSMWYXARC-INIZCTEOSA-N 1 2 388.269 2.132 20 30 GEEDLO C[C@@H]1C[NH+](CC(=O)N(C)Cc2ccccc2Br)C[C@@H](C)N1CC#N ZINC000602859168 653210383 /nfs/dbraw/zinc/21/03/83/653210383.db2.gz DNMGMPWZFAESGJ-HUUCEWRRSA-N 1 2 393.329 2.326 20 30 GEEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[N@H+](C)[C@@H]2CCSC2)cc1Cl ZINC000773980171 653219356 /nfs/dbraw/zinc/21/93/56/653219356.db2.gz NUGFACBTEHEMDA-OLZOCXBDSA-N 1 2 381.885 2.433 20 30 GEEDLO COc1ccc(NC(=O)[C@@H](C#N)C(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1Cl ZINC000773980171 653219362 /nfs/dbraw/zinc/21/93/62/653219362.db2.gz NUGFACBTEHEMDA-OLZOCXBDSA-N 1 2 381.885 2.433 20 30 GEEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@@H]2CCSC2)cc1Cl ZINC000773980170 653219549 /nfs/dbraw/zinc/21/95/49/653219549.db2.gz NUGFACBTEHEMDA-CHWSQXEVSA-N 1 2 381.885 2.433 20 30 GEEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1Cl ZINC000773980170 653219554 /nfs/dbraw/zinc/21/95/54/653219554.db2.gz NUGFACBTEHEMDA-CHWSQXEVSA-N 1 2 381.885 2.433 20 30 GEEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000874711184 653334223 /nfs/dbraw/zinc/33/42/23/653334223.db2.gz NNVINUXYNDAHKT-MRXNPFEDSA-N 1 2 380.286 2.090 20 30 GEEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000874711184 653334228 /nfs/dbraw/zinc/33/42/28/653334228.db2.gz NNVINUXYNDAHKT-MRXNPFEDSA-N 1 2 380.286 2.090 20 30 GEEDLO N#Cc1cscc1C(=O)OCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000814612708 653637317 /nfs/dbraw/zinc/63/73/17/653637317.db2.gz OTGLIUWZACBSOF-UHFFFAOYSA-N 1 2 375.475 2.182 20 30 GEEDLO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000879483726 653670020 /nfs/dbraw/zinc/67/00/20/653670020.db2.gz LIAGGNBTPUEPRC-INIZCTEOSA-N 1 2 378.226 2.215 20 30 GEEDLO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000879483726 653670022 /nfs/dbraw/zinc/67/00/22/653670022.db2.gz LIAGGNBTPUEPRC-INIZCTEOSA-N 1 2 378.226 2.215 20 30 GEEDLO COc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)c1 ZINC000782949211 653672615 /nfs/dbraw/zinc/67/26/15/653672615.db2.gz RJCLNBXDNAUYFF-UHFFFAOYSA-N 1 2 392.253 2.411 20 30 GEEDLO C=CCOc1c(Cl)cc(CN2CC[NH+](CC[S@](C)=O)CC2)cc1OC ZINC000862248613 653681699 /nfs/dbraw/zinc/68/16/99/653681699.db2.gz OCGQCISASNNFNB-VWLOTQADSA-N 1 2 386.945 2.410 20 30 GEEDLO C#CCOc1ccccc1C[NH2+]Cc1c(I)cnn1C ZINC000865867421 653777928 /nfs/dbraw/zinc/77/79/28/653777928.db2.gz AVJBGPYFSHHMMH-UHFFFAOYSA-N 1 2 381.217 2.327 20 30 GEEDLO C#C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000820611374 653778089 /nfs/dbraw/zinc/77/80/89/653778089.db2.gz KEKBJGNIIABCDV-WMLDXEAASA-N 1 2 394.313 2.486 20 30 GEEDLO C#C[C@H](NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000820611370 653778103 /nfs/dbraw/zinc/77/81/03/653778103.db2.gz KEKBJGNIIABCDV-PBHICJAKSA-N 1 2 394.313 2.486 20 30 GEEDLO C[C@H]([NH2+]Cc1c(I)cnn1C)c1cccc(C#N)c1O ZINC000866631096 653807223 /nfs/dbraw/zinc/80/72/23/653807223.db2.gz FAHAAIYSEMKSIF-VIFPVBQESA-N 1 2 382.205 2.453 20 30 GEEDLO O=C1[C@@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)CCCN1O ZINC000895159343 653821120 /nfs/dbraw/zinc/82/11/20/653821120.db2.gz UBGRLMUJTFMYCX-JTQLQIEISA-N 1 2 394.063 2.387 20 30 GEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883109522 653828009 /nfs/dbraw/zinc/82/80/09/653828009.db2.gz UAUHDPYMWRHWFC-VXGBXAGGSA-N 1 2 394.273 2.043 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000884060757 653861766 /nfs/dbraw/zinc/86/17/66/653861766.db2.gz JWADIKMIKROFLD-GWCFXTLKSA-N 1 2 385.258 2.082 20 30 GEEDLO N#Cc1ccc(OCC(=O)N[C@@H]2CCC[N@@H+](CCF)C2)cc1Br ZINC000898504242 653974507 /nfs/dbraw/zinc/97/45/07/653974507.db2.gz PAERMUBRKFTGGY-CYBMUJFWSA-N 1 2 384.249 2.250 20 30 GEEDLO N#Cc1ccc(OCC(=O)N[C@@H]2CCC[N@H+](CCF)C2)cc1Br ZINC000898504242 653974509 /nfs/dbraw/zinc/97/45/09/653974509.db2.gz PAERMUBRKFTGGY-CYBMUJFWSA-N 1 2 384.249 2.250 20 30 GEEDLO C/C(=C\C(=O)N[C@H](C#N)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000900699176 654076938 /nfs/dbraw/zinc/07/69/38/654076938.db2.gz KPJUYLJKVCNCJL-QSOAKEGCSA-N 1 2 378.270 2.408 20 30 GEEDLO C#CCO[C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000830139148 654100883 /nfs/dbraw/zinc/10/08/83/654100883.db2.gz VAHWRTWZQPPIIQ-CYBMUJFWSA-N 1 2 380.286 2.178 20 30 GEEDLO C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](CO)c2c[nH+]cn2C)s1 ZINC000912612645 654761113 /nfs/dbraw/zinc/76/11/13/654761113.db2.gz PVRGYJXMLOQCAT-LLVKDONJSA-N 1 2 386.930 2.422 20 30 GEEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C(C)C)ccc1C#N ZINC001164698654 719842448 /nfs/dbraw/zinc/84/24/48/719842448.db2.gz GMRQQCBXWLRTTE-UWJYYQICSA-N 1 2 386.496 2.309 20 30 GEEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C2(C#N)CCC2)cn1 ZINC001164701884 719854195 /nfs/dbraw/zinc/85/41/95/719854195.db2.gz LMBGQBBSCXMAOE-NQIIRXRSSA-N 1 2 398.507 2.260 20 30 GEEDLO Cc1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1C#N ZINC001164946908 721969925 /nfs/dbraw/zinc/96/99/25/721969925.db2.gz YTDPTRUBEHCGQZ-UHFFFAOYSA-N 1 2 375.476 2.233 20 30 GEEDLO Cc1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1C#N ZINC001164946908 721969928 /nfs/dbraw/zinc/96/99/28/721969928.db2.gz YTDPTRUBEHCGQZ-UHFFFAOYSA-N 1 2 375.476 2.233 20 30 GEEDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000159477826 531784251 /nfs/dbraw/zinc/78/42/51/531784251.db2.gz PYBJXZBLTNLQCE-UHFFFAOYSA-N 1 2 385.917 2.191 20 30 GEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163822523 531865888 /nfs/dbraw/zinc/86/58/88/531865888.db2.gz HHTXGZUEQZUYCG-HNNXBMFYSA-N 1 2 393.329 2.327 20 30 GEEDLO C=CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120978331 532005370 /nfs/dbraw/zinc/00/53/70/532005370.db2.gz RPRNVUPYLFRQKE-WMLDXEAASA-N 1 2 391.313 2.322 20 30 GEEDLO C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)S1 ZINC000173801805 532033642 /nfs/dbraw/zinc/03/36/42/532033642.db2.gz DYVWOGUTDVXWGI-NSHDSACASA-N 1 2 384.914 2.009 20 30 GEEDLO C[N@@H+]1CCO[C@@H]([C@H](NS(=O)(=O)CCCCC#N)c2ccc(Cl)cc2)C1 ZINC000133382334 532233247 /nfs/dbraw/zinc/23/32/47/532233247.db2.gz SCAPOAYITHERGU-IAGOWNOFSA-N 1 2 385.917 2.325 20 30 GEEDLO C[N@H+]1CCO[C@@H]([C@H](NS(=O)(=O)CCCCC#N)c2ccc(Cl)cc2)C1 ZINC000133382334 532233249 /nfs/dbraw/zinc/23/32/49/532233249.db2.gz SCAPOAYITHERGU-IAGOWNOFSA-N 1 2 385.917 2.325 20 30 GEEDLO C[N@H+](CC(=O)NCC#N)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190516503 532356511 /nfs/dbraw/zinc/35/65/11/532356511.db2.gz NSVGNASZDAWJIE-CQSZACIVSA-N 1 2 396.285 2.078 20 30 GEEDLO C[N@@H+](CC(=O)NCC#N)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190516503 532356512 /nfs/dbraw/zinc/35/65/12/532356512.db2.gz NSVGNASZDAWJIE-CQSZACIVSA-N 1 2 396.285 2.078 20 30 GEEDLO N#Cc1sccc1S(=O)(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000593560657 532487995 /nfs/dbraw/zinc/48/79/95/532487995.db2.gz UXLCHPCVMQTJIT-UHFFFAOYSA-N 1 2 383.539 2.181 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246270882 532537410 /nfs/dbraw/zinc/53/74/10/532537410.db2.gz AEDROVVGWPZCIW-JKSUJKDBSA-N 1 2 377.428 2.284 20 30 GEEDLO C=CC[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000246270882 532537414 /nfs/dbraw/zinc/53/74/14/532537414.db2.gz AEDROVVGWPZCIW-JKSUJKDBSA-N 1 2 377.428 2.284 20 30 GEEDLO N#Cc1cc(F)c(S(=O)(=O)NCCNc2cccc[nH+]2)cc1Br ZINC000564262829 532520632 /nfs/dbraw/zinc/52/06/32/532520632.db2.gz YNBYOYQDQKZYSF-UHFFFAOYSA-N 1 2 399.245 2.245 20 30 GEEDLO C=CCCSCCNC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000595170066 532546854 /nfs/dbraw/zinc/54/68/54/532546854.db2.gz QQRDKANHFWYLAF-HNNXBMFYSA-N 1 2 381.567 2.379 20 30 GEEDLO N#Cc1nc(NCc2ccccc2OCC[NH+]2CCOCC2)sc1Cl ZINC000596099151 532587316 /nfs/dbraw/zinc/58/73/16/532587316.db2.gz SMIIZGMIIMTSDV-UHFFFAOYSA-N 1 2 378.885 2.991 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)NCCNc2cccc[nH+]2)cc1Br ZINC000433873279 532581796 /nfs/dbraw/zinc/58/17/96/532581796.db2.gz PUKSADHLDNFOST-UHFFFAOYSA-N 1 2 381.255 2.106 20 30 GEEDLO Cc1cc(Br)cc(C)c1N1CCC[C@H](O[NH+]=C(N)CCO)C1=O ZINC000285330341 532670917 /nfs/dbraw/zinc/67/09/17/532670917.db2.gz YCSLUWXXSGBEAN-ZDUSSCGKSA-N 1 2 384.274 2.233 20 30 GEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(Br)c(C)c2)nn1 ZINC000640759392 532696955 /nfs/dbraw/zinc/69/69/55/532696955.db2.gz RJDNTXSGEUTWKM-UHFFFAOYSA-N 1 2 376.258 2.101 20 30 GEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)cc1Br ZINC000497856281 532724394 /nfs/dbraw/zinc/72/43/94/532724394.db2.gz FVKJLBVGNRIIPI-UHFFFAOYSA-N 1 2 398.220 2.223 20 30 GEEDLO CCN(CCC#N)S(=O)(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000409526170 532724788 /nfs/dbraw/zinc/72/47/88/532724788.db2.gz ZIIOTFXXIPTBLZ-OAHLLOKOSA-N 1 2 384.933 2.499 20 30 GEEDLO N#CCCN1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000617886507 532755508 /nfs/dbraw/zinc/75/55/08/532755508.db2.gz IDHPGCOLNLILIL-INIZCTEOSA-N 1 2 377.286 2.086 20 30 GEEDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@H](C)[N@H+]1C ZINC000451606705 532766901 /nfs/dbraw/zinc/76/69/01/532766901.db2.gz OJQLABVQEOCTIW-AOOOYVTPSA-N 1 2 390.278 2.173 20 30 GEEDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@H](C)[N@@H+]1C ZINC000451606705 532766903 /nfs/dbraw/zinc/76/69/03/532766903.db2.gz OJQLABVQEOCTIW-AOOOYVTPSA-N 1 2 390.278 2.173 20 30 GEEDLO N#CCCOCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000549612206 532796198 /nfs/dbraw/zinc/79/61/98/532796198.db2.gz OIIMMBULWKXNHC-UHFFFAOYSA-N 1 2 386.279 2.447 20 30 GEEDLO O=C(N[C@H]1CC[S@@](=O)C1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000330027534 532813544 /nfs/dbraw/zinc/81/35/44/532813544.db2.gz NGTWANZXXFMTRN-XESHVACXSA-N 1 2 387.908 2.468 20 30 GEEDLO O=C(N[C@H]1CC[S@@](=O)C1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000330027534 532813547 /nfs/dbraw/zinc/81/35/47/532813547.db2.gz NGTWANZXXFMTRN-XESHVACXSA-N 1 2 387.908 2.468 20 30 GEEDLO COc1cccc(Nc2nnc(SC[C@H](O)C[N@H+](C)CCC#N)s2)c1 ZINC000414093737 532818774 /nfs/dbraw/zinc/81/87/74/532818774.db2.gz HLZRRVBXHKTNPP-CYBMUJFWSA-N 1 2 379.511 2.589 20 30 GEEDLO COc1cccc(Nc2nnc(SC[C@H](O)C[N@@H+](C)CCC#N)s2)c1 ZINC000414093737 532818776 /nfs/dbraw/zinc/81/87/76/532818776.db2.gz HLZRRVBXHKTNPP-CYBMUJFWSA-N 1 2 379.511 2.589 20 30 GEEDLO Cc1nsc(N2CC[NH+](C[C@H](O)COCc3cccs3)CC2)c1C#N ZINC000289518221 532857312 /nfs/dbraw/zinc/85/73/12/532857312.db2.gz RKAQMEWDAMCSLX-AWEZNQCLSA-N 1 2 378.523 2.084 20 30 GEEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000363685259 532900008 /nfs/dbraw/zinc/90/00/08/532900008.db2.gz AHWMPUNORHPPLC-HOCLYGCPSA-N 1 2 375.416 2.462 20 30 GEEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000363685259 532900009 /nfs/dbraw/zinc/90/00/09/532900009.db2.gz AHWMPUNORHPPLC-HOCLYGCPSA-N 1 2 375.416 2.462 20 30 GEEDLO CC[N@@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363685258 532900328 /nfs/dbraw/zinc/90/03/28/532900328.db2.gz AHWMPUNORHPPLC-GOEBONIOSA-N 1 2 375.416 2.462 20 30 GEEDLO CC[N@H+]1CC[C@H](NS(=O)(=O)CCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363685258 532900332 /nfs/dbraw/zinc/90/03/32/532900332.db2.gz AHWMPUNORHPPLC-GOEBONIOSA-N 1 2 375.416 2.462 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000369173015 532937319 /nfs/dbraw/zinc/93/73/19/532937319.db2.gz DDCUSYUSWJPZPT-OAHLLOKOSA-N 1 2 380.857 2.069 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1OCC ZINC000370396189 532943282 /nfs/dbraw/zinc/94/32/82/532943282.db2.gz KUEYRQHVKMENGW-KGLIPLIRSA-N 1 2 386.286 2.340 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1OCC ZINC000370396189 532943283 /nfs/dbraw/zinc/94/32/83/532943283.db2.gz KUEYRQHVKMENGW-KGLIPLIRSA-N 1 2 386.286 2.340 20 30 GEEDLO C[N@@H+]1CCN(C2CCN(c3ccc(C#N)cc3Br)CC2)C(=O)C1 ZINC000371597677 532948943 /nfs/dbraw/zinc/94/89/43/532948943.db2.gz QMCXGNHRGZRKLX-UHFFFAOYSA-N 1 2 377.286 2.064 20 30 GEEDLO C[N@H+]1CCN(C2CCN(c3ccc(C#N)cc3Br)CC2)C(=O)C1 ZINC000371597677 532948944 /nfs/dbraw/zinc/94/89/44/532948944.db2.gz QMCXGNHRGZRKLX-UHFFFAOYSA-N 1 2 377.286 2.064 20 30 GEEDLO N#Cc1cc(F)ccc1CN1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000737704150 598677540 /nfs/dbraw/zinc/67/75/40/598677540.db2.gz HHDVNEGNJHDHSM-UHFFFAOYSA-N 1 2 395.417 2.334 20 30 GEEDLO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000736198141 599309606 /nfs/dbraw/zinc/30/96/06/599309606.db2.gz GNVVBFNIOXRRGI-CYBMUJFWSA-N 1 2 390.451 2.487 20 30 GEEDLO Cc1cc(C(N)=[NH+]OCc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)ccc1F ZINC000822191832 599384518 /nfs/dbraw/zinc/38/45/18/599384518.db2.gz RXYWZQBVCAWHDU-UHFFFAOYSA-N 1 2 394.370 2.201 20 30 GEEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1=S ZINC000825711279 601890564 /nfs/dbraw/zinc/89/05/64/601890564.db2.gz XFQAAHUOPXQAAR-IBGZPJMESA-N 1 2 393.557 2.383 20 30 GEEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)c1=S ZINC000825711279 601890567 /nfs/dbraw/zinc/89/05/67/601890567.db2.gz XFQAAHUOPXQAAR-IBGZPJMESA-N 1 2 393.557 2.383 20 30 GEEDLO N#Cc1cccc(OCC[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826387370 608070725 /nfs/dbraw/zinc/07/07/25/608070725.db2.gz RVLFPSCXHKEYNZ-LJQANCHMSA-N 1 2 376.420 2.191 20 30 GEEDLO N#Cc1cccc(OCC[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000826387370 608070726 /nfs/dbraw/zinc/07/07/26/608070726.db2.gz RVLFPSCXHKEYNZ-LJQANCHMSA-N 1 2 376.420 2.191 20 30 GEEDLO C#CCCCCC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000823837285 608299831 /nfs/dbraw/zinc/29/98/31/608299831.db2.gz AGSXVCFKXIDFSM-UHFFFAOYSA-N 1 2 389.463 2.257 20 30 GEEDLO N#CC1(NC(=O)C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CCCCC1 ZINC000826380194 608460576 /nfs/dbraw/zinc/46/05/76/608460576.db2.gz QPRIMWSOJMENBD-UHFFFAOYSA-N 1 2 391.479 2.298 20 30 GEEDLO N#CC1(NC(=O)C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CCCCC1 ZINC000826380194 608460579 /nfs/dbraw/zinc/46/05/79/608460579.db2.gz QPRIMWSOJMENBD-UHFFFAOYSA-N 1 2 391.479 2.298 20 30 GEEDLO N#Cc1cccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1F ZINC000826386642 608642755 /nfs/dbraw/zinc/64/27/55/608642755.db2.gz MXZHLEMAPYZQMM-UHFFFAOYSA-N 1 2 381.390 2.339 20 30 GEEDLO CC(C)[C@@H](CNC(=O)c1cccc(C#N)c1Br)[NH+]1CCOCC1 ZINC000448632143 650018524 /nfs/dbraw/zinc/01/85/24/650018524.db2.gz HAAKATYGUIMZES-OAHLLOKOSA-N 1 2 380.286 2.407 20 30 GEEDLO CN(CCCn1cc[nH+]c1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000450160189 650061472 /nfs/dbraw/zinc/06/14/72/650061472.db2.gz MSRPPYHBWTZWKR-UHFFFAOYSA-N 1 2 377.242 2.445 20 30 GEEDLO C=CCOC[C@@H](NCc1c[nH+]c2c(C)cc(Br)cn12)C(=O)OC ZINC000482445931 650665617 /nfs/dbraw/zinc/66/56/17/650665617.db2.gz JSEPWLWEEPKWQF-CQSZACIVSA-N 1 2 382.258 2.239 20 30 GEEDLO N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000532551835 650749932 /nfs/dbraw/zinc/74/99/32/650749932.db2.gz XLVITFRAZWHJDV-MRXNPFEDSA-N 1 2 388.269 2.381 20 30 GEEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000499056713 650872760 /nfs/dbraw/zinc/87/27/60/650872760.db2.gz RUVKIQWFZYYEDH-ZDUSSCGKSA-N 1 2 379.507 2.411 20 30 GEEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000499056713 650872763 /nfs/dbraw/zinc/87/27/63/650872763.db2.gz RUVKIQWFZYYEDH-ZDUSSCGKSA-N 1 2 379.507 2.411 20 30 GEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191771526 645182392 /nfs/dbraw/zinc/18/23/92/645182392.db2.gz OIRXEVUAGHHNHE-ZDUSSCGKSA-N 1 2 391.313 2.105 20 30 GEEDLO CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409476225 647963092 /nfs/dbraw/zinc/96/30/92/647963092.db2.gz RMCLNQWKCIUWBY-HZPDHXFCSA-N 1 2 388.896 2.294 20 30 GEEDLO CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409476225 647963099 /nfs/dbraw/zinc/96/30/99/647963099.db2.gz RMCLNQWKCIUWBY-HZPDHXFCSA-N 1 2 388.896 2.294 20 30 GEEDLO CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409476224 647963388 /nfs/dbraw/zinc/96/33/88/647963388.db2.gz RMCLNQWKCIUWBY-HOTGVXAUSA-N 1 2 388.896 2.294 20 30 GEEDLO CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000409476224 647963394 /nfs/dbraw/zinc/96/33/94/647963394.db2.gz RMCLNQWKCIUWBY-HOTGVXAUSA-N 1 2 388.896 2.294 20 30 GEEDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416496678 648149439 /nfs/dbraw/zinc/14/94/39/648149439.db2.gz QOMYARNCTFDCNI-GFCCVEGCSA-N 1 2 386.315 2.426 20 30 GEEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419682931 648364030 /nfs/dbraw/zinc/36/40/30/648364030.db2.gz WILHUYMNPIZQQP-UHFFFAOYSA-N 1 2 390.241 2.004 20 30 GEEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000551401793 651123751 /nfs/dbraw/zinc/12/37/51/651123751.db2.gz MISIRJPBTPSQLZ-UHFFFAOYSA-N 1 2 379.302 2.333 20 30 GEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000562048550 651487020 /nfs/dbraw/zinc/48/70/20/651487020.db2.gz HSGQTENRTLEQOK-IAGOWNOFSA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000562048550 651487023 /nfs/dbraw/zinc/48/70/23/651487023.db2.gz HSGQTENRTLEQOK-IAGOWNOFSA-N 1 2 376.869 2.330 20 30 GEEDLO C#CCC[NH+]1CCN(S(=O)(=O)/C=C\c2ccc(Br)cc2)CC1 ZINC000727455908 651522042 /nfs/dbraw/zinc/52/20/42/651522042.db2.gz OKSOYZPSOREQFN-ZSOIEALJSA-N 1 2 383.311 2.391 20 30 GEEDLO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000748812340 652217870 /nfs/dbraw/zinc/21/78/70/652217870.db2.gz CIUFUUXURXPWGL-SFHVURJKSA-N 1 2 390.325 2.363 20 30 GEEDLO C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000748812340 652217884 /nfs/dbraw/zinc/21/78/84/652217884.db2.gz CIUFUUXURXPWGL-SFHVURJKSA-N 1 2 390.325 2.363 20 30 GEEDLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000580570650 652384407 /nfs/dbraw/zinc/38/44/07/652384407.db2.gz GTCGOCLALWKSPF-CYBMUJFWSA-N 1 2 383.901 2.085 20 30 GEEDLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000580570650 652384411 /nfs/dbraw/zinc/38/44/11/652384411.db2.gz GTCGOCLALWKSPF-CYBMUJFWSA-N 1 2 383.901 2.085 20 30 GEEDLO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)cc1OC ZINC000628235330 652455784 /nfs/dbraw/zinc/45/57/84/652455784.db2.gz IPFAJTDFNNHQNO-AWEZNQCLSA-N 1 2 388.917 2.427 20 30 GEEDLO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)cc1OC ZINC000628235330 652455788 /nfs/dbraw/zinc/45/57/88/652455788.db2.gz IPFAJTDFNNHQNO-AWEZNQCLSA-N 1 2 388.917 2.427 20 30 GEEDLO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000592522192 652598155 /nfs/dbraw/zinc/59/81/55/652598155.db2.gz IQVXEACTCKBDEV-KRWDZBQOSA-N 1 2 380.286 2.136 20 30 GEEDLO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000592522192 652598160 /nfs/dbraw/zinc/59/81/60/652598160.db2.gz IQVXEACTCKBDEV-KRWDZBQOSA-N 1 2 380.286 2.136 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2CCC(CO)(CO)C2)cc1OC ZINC000668665665 652657512 /nfs/dbraw/zinc/65/75/12/652657512.db2.gz BCZPYZDBYDFHRW-UHFFFAOYSA-N 1 2 386.286 2.199 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2CCC(CO)(CO)C2)cc1OC ZINC000668665665 652657518 /nfs/dbraw/zinc/65/75/18/652657518.db2.gz BCZPYZDBYDFHRW-UHFFFAOYSA-N 1 2 386.286 2.199 20 30 GEEDLO C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000775097467 653287943 /nfs/dbraw/zinc/28/79/43/653287943.db2.gz QWZNTUCUGSQOCX-ZDUSSCGKSA-N 1 2 388.693 2.084 20 30 GEEDLO N#Cc1nc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Br ZINC000883076245 653824835 /nfs/dbraw/zinc/82/48/35/653824835.db2.gz YEUSUXAGUFFJPI-UHFFFAOYSA-N 1 2 387.241 2.465 20 30 GEEDLO C=C(Br)CNC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1c[nH+]cn1C ZINC000793221617 653871246 /nfs/dbraw/zinc/87/12/46/653871246.db2.gz ZVZLUJNGEPCKDM-IUODEOHRSA-N 1 2 383.290 2.135 20 30 GEEDLO Cc1nc(N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nc(N)[nH+]1 ZINC000896390818 653877245 /nfs/dbraw/zinc/87/72/45/653877245.db2.gz HHLALDFJQSGQPX-OLQVQODUSA-N 1 2 377.239 2.369 20 30 GEEDLO NC(=NOCc1cc(Br)no1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000793834098 653885899 /nfs/dbraw/zinc/88/58/99/653885899.db2.gz CGLJQOVMAPSFRL-UHFFFAOYSA-N 1 2 395.257 2.106 20 30 GEEDLO Cc1[nH]c(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)[nH+]c1C ZINC000896907276 653899047 /nfs/dbraw/zinc/89/90/47/653899047.db2.gz LNFOOFSXCLQYEG-UHFFFAOYSA-N 1 2 388.269 2.413 20 30 GEEDLO C[NH+](C)CCCNC(=O)CC1SC(=Nc2ccsc2)N(CCF)C1=O ZINC000797818240 654043065 /nfs/dbraw/zinc/04/30/65/654043065.db2.gz SRYYUZUOJWJGDA-ZDUSSCGKSA-N 1 2 386.518 2.107 20 30 GEEDLO C[NH+](C)CCCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCF)C1=O ZINC000797818240 654043069 /nfs/dbraw/zinc/04/30/69/654043069.db2.gz SRYYUZUOJWJGDA-ZDUSSCGKSA-N 1 2 386.518 2.107 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccccc2Cl)N(C[C@@H]2CC[N@@H+]2C)C1=O ZINC000901523172 654129069 /nfs/dbraw/zinc/12/90/69/654129069.db2.gz VCENDPVEICEFCB-FZMZJTMJSA-N 1 2 380.901 2.112 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccccc2Cl)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000901523172 654129070 /nfs/dbraw/zinc/12/90/70/654129070.db2.gz VCENDPVEICEFCB-FZMZJTMJSA-N 1 2 380.901 2.112 20 30 GEEDLO C=C(Br)C[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 ZINC000831549856 654191315 /nfs/dbraw/zinc/19/13/15/654191315.db2.gz FPUNBRGNKXYBMN-NEPJUHHUSA-N 1 2 385.224 2.443 20 30 GEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000921438215 654267584 /nfs/dbraw/zinc/26/75/84/654267584.db2.gz UQUKKHLFOAPXQG-UHFFFAOYSA-N 1 2 391.718 2.478 20 30 GEEDLO N#Cc1ncc(Br)cc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000853228597 654287340 /nfs/dbraw/zinc/28/73/40/654287340.db2.gz MXXXNJQOOPYZNC-HNNXBMFYSA-N 1 2 383.315 2.336 20 30 GEEDLO CCS(=O)(=O)NC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000894454146 654477497 /nfs/dbraw/zinc/47/74/97/654477497.db2.gz OOXAJYSPWATVDU-UHFFFAOYSA-N 1 2 386.315 2.224 20 30 GEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000856436240 654481520 /nfs/dbraw/zinc/48/15/20/654481520.db2.gz TWVUDOQBPXXTBW-NSHDSACASA-N 1 2 397.294 2.237 20 30 GEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N1Cc2sc(C(=O)OC)c(Br)c2C1 ZINC000856436240 654481521 /nfs/dbraw/zinc/48/15/21/654481521.db2.gz TWVUDOQBPXXTBW-NSHDSACASA-N 1 2 397.294 2.237 20 30 GEEDLO Cc1ccc(C#N)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164944985 721971272 /nfs/dbraw/zinc/97/12/72/721971272.db2.gz LXSOGZPEPPVKEU-UHFFFAOYSA-N 1 2 375.476 2.233 20 30 GEEDLO Cc1ccc(C#N)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164944985 721971274 /nfs/dbraw/zinc/97/12/74/721971274.db2.gz LXSOGZPEPPVKEU-UHFFFAOYSA-N 1 2 375.476 2.233 20 30 GEEDLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000156300486 531727630 /nfs/dbraw/zinc/72/76/30/531727630.db2.gz KLWHBACCHZNNII-STQMWFEESA-N 1 2 385.917 2.378 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1ccc(Cl)cc1Cl ZINC000060633657 531847807 /nfs/dbraw/zinc/84/78/07/531847807.db2.gz MBBJZLUKPHVDQL-UHFFFAOYSA-N 1 2 386.279 2.447 20 30 GEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163822630 531865110 /nfs/dbraw/zinc/86/51/10/531865110.db2.gz HHTXGZUEQZUYCG-OAHLLOKOSA-N 1 2 393.329 2.327 20 30 GEEDLO C=CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000171748014 531914469 /nfs/dbraw/zinc/91/44/69/531914469.db2.gz LHVJBIZYZMXYTC-ZIAGYGMSSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000171748014 531914475 /nfs/dbraw/zinc/91/44/75/531914475.db2.gz LHVJBIZYZMXYTC-ZIAGYGMSSA-N 1 2 394.320 2.408 20 30 GEEDLO Cc1cc(Br)ccc1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000181213794 532293019 /nfs/dbraw/zinc/29/30/19/532293019.db2.gz MTALNFDIOGDCQV-UHFFFAOYSA-N 1 2 394.313 2.375 20 30 GEEDLO C[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000181325178 532295718 /nfs/dbraw/zinc/29/57/18/532295718.db2.gz NWZOCDDDEYHVBS-NSHDSACASA-N 1 2 376.272 2.316 20 30 GEEDLO C[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)C[C@H](O)C(F)(F)F ZINC000181325178 532295720 /nfs/dbraw/zinc/29/57/20/532295720.db2.gz NWZOCDDDEYHVBS-NSHDSACASA-N 1 2 376.272 2.316 20 30 GEEDLO C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1nccs1 ZINC000184412811 532332562 /nfs/dbraw/zinc/33/25/62/532332562.db2.gz RKJXUGABYDGREF-KBPBESRZSA-N 1 2 375.523 2.264 20 30 GEEDLO CC#CCN(C)C(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000558047501 532382068 /nfs/dbraw/zinc/38/20/68/532382068.db2.gz NDOCCEHIAKQDIR-UHFFFAOYSA-N 1 2 396.304 2.188 20 30 GEEDLO CCn1cc[nH+]c1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000425777371 532395035 /nfs/dbraw/zinc/39/50/35/532395035.db2.gz HUFOYKMLFVJIAQ-UHFFFAOYSA-N 1 2 390.241 2.101 20 30 GEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2cccc(Br)c2C#N)CC1 ZINC000520908608 532501413 /nfs/dbraw/zinc/50/14/13/532501413.db2.gz ZHEODSKOLZIIOT-CQSZACIVSA-N 1 2 391.313 2.454 20 30 GEEDLO CN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)c2ccc[nH+]c21 ZINC000432956307 532549692 /nfs/dbraw/zinc/54/96/92/532549692.db2.gz YWZAKLRAHQRZJK-UHFFFAOYSA-N 1 2 393.266 2.361 20 30 GEEDLO Cc1csc(C2CC[NH+](CCS(=O)(=O)c3ccc(C#N)cn3)CC2)n1 ZINC000377561220 532660141 /nfs/dbraw/zinc/66/01/41/532660141.db2.gz GPSHYLIDRICRQJ-UHFFFAOYSA-N 1 2 376.507 2.372 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccccc1Br ZINC000264157620 532663618 /nfs/dbraw/zinc/66/36/18/532663618.db2.gz HUXSRVDCDCRUAR-UHFFFAOYSA-N 1 2 380.286 2.066 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1ccccc1Br ZINC000299501364 532721204 /nfs/dbraw/zinc/72/12/04/532721204.db2.gz GKAGXCKVHFZLPC-UHFFFAOYSA-N 1 2 394.313 2.456 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CO)c2cccc(Cl)c2F)c1 ZINC000499964099 532729585 /nfs/dbraw/zinc/72/95/85/532729585.db2.gz LHKPABSRTMXEIW-MRXNPFEDSA-N 1 2 382.844 2.448 20 30 GEEDLO N#CCCCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000542380955 532769745 /nfs/dbraw/zinc/76/97/45/532769745.db2.gz GGFLIXLJBGHTPP-UHFFFAOYSA-N 1 2 397.292 2.126 20 30 GEEDLO O=C(C[NH+]1CCN(c2ccc(Br)cn2)CC1)NC1CCOCC1 ZINC000328907953 532799820 /nfs/dbraw/zinc/79/98/20/532799820.db2.gz LVZAMOZQHMDUPS-UHFFFAOYSA-N 1 2 383.290 2.102 20 30 GEEDLO C[C@H](C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[NH+]1CCSCC1 ZINC000328993370 532801287 /nfs/dbraw/zinc/80/12/87/532801287.db2.gz TTYDFTHESUKPQR-GFCCVEGCSA-N 1 2 387.502 2.391 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1OC ZINC000414557552 532831381 /nfs/dbraw/zinc/83/13/81/532831381.db2.gz LUXMRCUZSODJEK-HIFRSBDPSA-N 1 2 386.286 2.198 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)cc1OC ZINC000414557552 532831386 /nfs/dbraw/zinc/83/13/86/532831386.db2.gz LUXMRCUZSODJEK-HIFRSBDPSA-N 1 2 386.286 2.198 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1OC ZINC000414557554 532831733 /nfs/dbraw/zinc/83/17/33/532831733.db2.gz LUXMRCUZSODJEK-ZFWWWQNUSA-N 1 2 386.286 2.198 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)cc1OC ZINC000414557554 532831734 /nfs/dbraw/zinc/83/17/34/532831734.db2.gz LUXMRCUZSODJEK-ZFWWWQNUSA-N 1 2 386.286 2.198 20 30 GEEDLO C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274169993 532843099 /nfs/dbraw/zinc/84/30/99/532843099.db2.gz HAWQJKJHAZWSLG-UHFFFAOYSA-N 1 2 378.947 2.442 20 30 GEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000332616078 532858262 /nfs/dbraw/zinc/85/82/62/532858262.db2.gz FFDSBYZUYGODRG-ILXRZTDVSA-N 1 2 388.534 2.071 20 30 GEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000332616078 532858264 /nfs/dbraw/zinc/85/82/64/532858264.db2.gz FFDSBYZUYGODRG-ILXRZTDVSA-N 1 2 388.534 2.071 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)s1 ZINC000333160664 532865305 /nfs/dbraw/zinc/86/53/05/532865305.db2.gz NLGWOQXUXDKSJO-UHFFFAOYSA-N 1 2 383.539 2.181 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cn2ccc(Br)cc2n1 ZINC000290349746 532879084 /nfs/dbraw/zinc/87/90/84/532879084.db2.gz FJZYYHSSKDSTPV-UHFFFAOYSA-N 1 2 392.301 2.145 20 30 GEEDLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363685257 532900187 /nfs/dbraw/zinc/90/01/87/532900187.db2.gz AHWMPUNORHPPLC-GDBMZVCRSA-N 1 2 375.416 2.462 20 30 GEEDLO CC[N@H+]1CC[C@@H](NS(=O)(=O)CCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363685257 532900188 /nfs/dbraw/zinc/90/01/88/532900188.db2.gz AHWMPUNORHPPLC-GDBMZVCRSA-N 1 2 375.416 2.462 20 30 GEEDLO Cc1cnc(Br)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000292030504 532912183 /nfs/dbraw/zinc/91/21/83/532912183.db2.gz KSZUNSMQDCEDSX-UHFFFAOYSA-N 1 2 396.289 2.232 20 30 GEEDLO CN1C(=O)CSC12CC[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC000371624564 532949060 /nfs/dbraw/zinc/94/90/60/532949060.db2.gz MQGYNDRQRKMHIJ-UHFFFAOYSA-N 1 2 378.885 2.147 20 30 GEEDLO C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000735451008 598313861 /nfs/dbraw/zinc/31/38/61/598313861.db2.gz MNYHQYQCNYLQGI-UHFFFAOYSA-N 1 2 394.317 2.231 20 30 GEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000822846170 607059475 /nfs/dbraw/zinc/05/94/75/607059475.db2.gz QCNQERZWNVUWCM-UHFFFAOYSA-N 1 2 394.414 2.065 20 30 GEEDLO CC(C)c1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1cccc(-c2nn[nH]n2)c1 ZINC000824364681 607885944 /nfs/dbraw/zinc/88/59/44/607885944.db2.gz PWQCAKITMHUKCA-UHFFFAOYSA-N 1 2 395.471 2.006 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824184863 608462955 /nfs/dbraw/zinc/46/29/55/608462955.db2.gz MTINRQDMSAYBEC-HXUWFJFHSA-N 1 2 379.468 2.010 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824184863 608462956 /nfs/dbraw/zinc/46/29/56/608462956.db2.gz MTINRQDMSAYBEC-HXUWFJFHSA-N 1 2 379.468 2.010 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824040479 608465255 /nfs/dbraw/zinc/46/52/55/608465255.db2.gz QNTYWORCEVAWIO-QVKFZJNVSA-N 1 2 393.495 2.399 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824040479 608465256 /nfs/dbraw/zinc/46/52/56/608465256.db2.gz QNTYWORCEVAWIO-QVKFZJNVSA-N 1 2 393.495 2.399 20 30 GEEDLO C#CCOc1ccccc1C[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823861259 608501515 /nfs/dbraw/zinc/50/15/15/608501515.db2.gz BKRZDMJIHBRKRN-UHFFFAOYSA-N 1 2 388.475 2.197 20 30 GEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@@H](C)C1 ZINC000451536764 650124093 /nfs/dbraw/zinc/12/40/93/650124093.db2.gz QJMORSRYSGWTLF-JTQLQIEISA-N 1 2 390.278 2.175 20 30 GEEDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@@H](C)C1 ZINC000451536764 650124096 /nfs/dbraw/zinc/12/40/96/650124096.db2.gz QJMORSRYSGWTLF-JTQLQIEISA-N 1 2 390.278 2.175 20 30 GEEDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cccc(C#N)c2Br)CC1 ZINC000456889010 650365499 /nfs/dbraw/zinc/36/54/99/650365499.db2.gz XOYFJADXCQMUND-UHFFFAOYSA-N 1 2 393.329 2.467 20 30 GEEDLO C[C@](C#N)(NC(=O)C[N@H+](CCO)Cc1cc(Br)cs1)C1CC1 ZINC000494250001 650802817 /nfs/dbraw/zinc/80/28/17/650802817.db2.gz FPARCGWKQVGMQR-OAHLLOKOSA-N 1 2 386.315 2.113 20 30 GEEDLO C[C@](C#N)(NC(=O)C[N@@H+](CCO)Cc1cc(Br)cs1)C1CC1 ZINC000494250001 650802819 /nfs/dbraw/zinc/80/28/19/650802819.db2.gz FPARCGWKQVGMQR-OAHLLOKOSA-N 1 2 386.315 2.113 20 30 GEEDLO C=CC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000092361063 643070138 /nfs/dbraw/zinc/07/01/38/643070138.db2.gz DYHOUXSWZBFMNK-ZDUSSCGKSA-N 1 2 390.299 2.338 20 30 GEEDLO C=CC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000092361063 643070140 /nfs/dbraw/zinc/07/01/40/643070140.db2.gz DYHOUXSWZBFMNK-ZDUSSCGKSA-N 1 2 390.299 2.338 20 30 GEEDLO C[C@H](c1nnc(SCC(=O)NCC#N)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000108659331 643280647 /nfs/dbraw/zinc/28/06/47/643280647.db2.gz HTJQWZXAULBHLL-LLVKDONJSA-N 1 2 378.889 2.275 20 30 GEEDLO C=C(Br)CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000171195832 644315855 /nfs/dbraw/zinc/31/58/55/644315855.db2.gz QXCDSICZTJKFMY-UHFFFAOYSA-N 1 2 398.301 2.105 20 30 GEEDLO C=CCOc1c(Br)cc(C[NH2+]Cc2cc(C(N)=O)no2)cc1OC ZINC000273362486 646312937 /nfs/dbraw/zinc/31/29/37/646312937.db2.gz DKCOLVIQAXVUMR-UHFFFAOYSA-N 1 2 396.241 2.399 20 30 GEEDLO N#CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000280466184 646684609 /nfs/dbraw/zinc/68/46/09/646684609.db2.gz IVNNGIUNBCMSJO-AWEZNQCLSA-N 1 2 383.233 2.285 20 30 GEEDLO N#CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000280466184 646684615 /nfs/dbraw/zinc/68/46/15/646684615.db2.gz IVNNGIUNBCMSJO-AWEZNQCLSA-N 1 2 383.233 2.285 20 30 GEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)C[C@H]1C ZINC000408116826 647928155 /nfs/dbraw/zinc/92/81/55/647928155.db2.gz ZUTDKVOEYUHADR-VXGBXAGGSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)C[C@H]1C ZINC000408116826 647928160 /nfs/dbraw/zinc/92/81/60/647928160.db2.gz ZUTDKVOEYUHADR-VXGBXAGGSA-N 1 2 386.315 2.424 20 30 GEEDLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416444702 648126445 /nfs/dbraw/zinc/12/64/45/648126445.db2.gz ZCSREFGSMQCFKD-LBPRGKRZSA-N 1 2 395.282 2.232 20 30 GEEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[N@@H+]1C ZINC000416468804 648135777 /nfs/dbraw/zinc/13/57/77/648135777.db2.gz HFFQGJYJPMIODH-AWEZNQCLSA-N 1 2 386.315 2.281 20 30 GEEDLO CC(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[N@H+]1C ZINC000416468804 648135794 /nfs/dbraw/zinc/13/57/94/648135794.db2.gz HFFQGJYJPMIODH-AWEZNQCLSA-N 1 2 386.315 2.281 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(I)c1 ZINC000556603043 651247818 /nfs/dbraw/zinc/24/78/18/651247818.db2.gz YLXXFDFVTKUUGV-UHFFFAOYSA-N 1 2 399.276 2.339 20 30 GEEDLO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000560618244 651312523 /nfs/dbraw/zinc/31/25/23/651312523.db2.gz AYTGQJCAFSNJLO-CYBMUJFWSA-N 1 2 379.507 2.411 20 30 GEEDLO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000560618244 651312525 /nfs/dbraw/zinc/31/25/25/651312525.db2.gz AYTGQJCAFSNJLO-CYBMUJFWSA-N 1 2 379.507 2.411 20 30 GEEDLO C=C(Br)CNC(=O)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000729785862 651579362 /nfs/dbraw/zinc/57/93/62/651579362.db2.gz ADSVQGWWQODVDB-CYBMUJFWSA-N 1 2 396.285 2.043 20 30 GEEDLO O=S(=O)(Nc1nccs1)c1ccc(N=NC2C[NH+]3CCC2CC3)cc1 ZINC000748081576 652190465 /nfs/dbraw/zinc/19/04/65/652190465.db2.gz ONLNFVFLJMRFOG-UHFFFAOYSA-N 1 2 377.495 2.437 20 30 GEEDLO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Br)c(F)cc1O ZINC000756704678 652504221 /nfs/dbraw/zinc/50/42/21/652504221.db2.gz KOKVTADZVWERAW-FZQCLQRZSA-N 1 2 398.232 2.471 20 30 GEEDLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNc1cc(CC#N)cc[nH+]1 ZINC000767290468 652918486 /nfs/dbraw/zinc/91/84/86/652918486.db2.gz IWSVJEHRYPXKBX-ZDUSSCGKSA-N 1 2 379.873 2.278 20 30 GEEDLO C#CCNC(=O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769020040 653140905 /nfs/dbraw/zinc/14/09/05/653140905.db2.gz AIJOSCFDMUXANI-UHFFFAOYSA-N 1 2 380.242 2.319 20 30 GEEDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)N1CC#N ZINC000602854376 653209729 /nfs/dbraw/zinc/20/97/29/653209729.db2.gz OJZPTOQPHFJQRL-JKIFEVAISA-N 1 2 391.313 2.473 20 30 GEEDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)N1CC#N ZINC000602854376 653209733 /nfs/dbraw/zinc/20/97/33/653209733.db2.gz OJZPTOQPHFJQRL-JKIFEVAISA-N 1 2 391.313 2.473 20 30 GEEDLO C[C@@H]1C[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H](C)N1CC#N ZINC000602854374 653209921 /nfs/dbraw/zinc/20/99/21/653209921.db2.gz OJZPTOQPHFJQRL-CKEIUWERSA-N 1 2 391.313 2.473 20 30 GEEDLO CC(C)NS(=O)(=O)c1ccc(NNC2=C[C@@H](C(F)(F)F)OCC2)[nH+]c1 ZINC000814802711 653639682 /nfs/dbraw/zinc/63/96/82/653639682.db2.gz SGILKSWMNDGQJD-LBPRGKRZSA-N 1 2 380.392 2.278 20 30 GEEDLO NC(=[NH+]OCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000782949287 653672649 /nfs/dbraw/zinc/67/26/49/653672649.db2.gz SICFFVMHYGVZJA-UHFFFAOYSA-N 1 2 392.209 2.453 20 30 GEEDLO NC(=[NH+]OCC(=O)NCCOc1ccccc1)c1ccc(Br)cc1 ZINC000782947920 653672672 /nfs/dbraw/zinc/67/26/72/653672672.db2.gz GGWCTHZFADCQRT-UHFFFAOYSA-N 1 2 392.253 2.281 20 30 GEEDLO Cc1nn(C)c(N2CC[NH+](Cc3c(O)cccc3Br)CC2)c1C#N ZINC000862339196 653683793 /nfs/dbraw/zinc/68/37/93/653683793.db2.gz KUMGTANGXQEOOF-UHFFFAOYSA-N 1 2 390.285 2.391 20 30 GEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(F)cc(I)c1 ZINC000840759480 653693168 /nfs/dbraw/zinc/69/31/68/653693168.db2.gz MQMUDSGQUHPSAM-LBPRGKRZSA-N 1 2 378.185 2.015 20 30 GEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(F)cc(I)c1 ZINC000840759480 653693169 /nfs/dbraw/zinc/69/31/69/653693169.db2.gz MQMUDSGQUHPSAM-LBPRGKRZSA-N 1 2 378.185 2.015 20 30 GEEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789373785 653772677 /nfs/dbraw/zinc/77/26/77/653772677.db2.gz GPMDPWQHCOQPIA-MRXNPFEDSA-N 1 2 383.901 2.242 20 30 GEEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000789373785 653772678 /nfs/dbraw/zinc/77/26/78/653772678.db2.gz GPMDPWQHCOQPIA-MRXNPFEDSA-N 1 2 383.901 2.242 20 30 GEEDLO C#C[C@H](NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1 ZINC000820612652 653778488 /nfs/dbraw/zinc/77/84/88/653778488.db2.gz ZJWHVYRDXWXXLU-BBWFWOEESA-N 1 2 392.297 2.286 20 30 GEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Br)cc1 ZINC000820612652 653778490 /nfs/dbraw/zinc/77/84/90/653778490.db2.gz ZJWHVYRDXWXXLU-BBWFWOEESA-N 1 2 392.297 2.286 20 30 GEEDLO C#C[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000820616291 653778518 /nfs/dbraw/zinc/77/85/18/653778518.db2.gz IJQDBRWWBHMZPH-INIZCTEOSA-N 1 2 380.286 2.097 20 30 GEEDLO C[NH+](C)CCNC(=O)CC1SC(=Nc2ccsc2)N(CCCF)C1=O ZINC000790736737 653796499 /nfs/dbraw/zinc/79/64/99/653796499.db2.gz PWMCYILDVSMXJR-CYBMUJFWSA-N 1 2 386.518 2.107 20 30 GEEDLO C[NH+](C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCCF)C1=O ZINC000790736737 653796501 /nfs/dbraw/zinc/79/65/01/653796501.db2.gz PWMCYILDVSMXJR-CYBMUJFWSA-N 1 2 386.518 2.107 20 30 GEEDLO C[NH+](C)CCNC(=O)CC1SC(=Nc2ccsc2)N(C2CCC2)C1=O ZINC000790737596 653796507 /nfs/dbraw/zinc/79/65/07/653796507.db2.gz NODHHJVMLJOGAM-AWEZNQCLSA-N 1 2 380.539 2.300 20 30 GEEDLO C[NH+](C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(C2CCC2)C1=O ZINC000790737596 653796509 /nfs/dbraw/zinc/79/65/09/653796509.db2.gz NODHHJVMLJOGAM-AWEZNQCLSA-N 1 2 380.539 2.300 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](O)C[C@]2(C)CO)cc1OC ZINC000895326792 653827802 /nfs/dbraw/zinc/82/78/02/653827802.db2.gz GVMBZQYNYNVVGW-CXAGYDPISA-N 1 2 386.286 2.340 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)cc1OC ZINC000895326792 653827803 /nfs/dbraw/zinc/82/78/03/653827803.db2.gz GVMBZQYNYNVVGW-CXAGYDPISA-N 1 2 386.286 2.340 20 30 GEEDLO COC(=O)c1ccc(Br)c(N[NH+]=Cc2cnc(N(C)C)n2C)c1 ZINC000793114509 653867137 /nfs/dbraw/zinc/86/71/37/653867137.db2.gz WCHIHEPBQSFXCV-UHFFFAOYSA-N 1 2 380.246 2.481 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000884318167 653872046 /nfs/dbraw/zinc/87/20/46/653872046.db2.gz OXRFJQCLYQSFBS-OCCSQVGLSA-N 1 2 386.279 2.135 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1cc(F)c(Br)cc1F ZINC000884431358 653876418 /nfs/dbraw/zinc/87/64/18/653876418.db2.gz RPZUVHLRPDFSLL-SDBXPKJASA-N 1 2 391.212 2.351 20 30 GEEDLO Cc1nc(N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nc(N)[nH+]1 ZINC000896390819 653877195 /nfs/dbraw/zinc/87/71/95/653877195.db2.gz HHLALDFJQSGQPX-PHDIDXHHSA-N 1 2 377.239 2.369 20 30 GEEDLO C#C[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000848492894 653981257 /nfs/dbraw/zinc/98/12/57/653981257.db2.gz HNMWYTKZKNVDGU-GFCCVEGCSA-N 1 2 390.237 2.047 20 30 GEEDLO C#C[C@@H]1CCC[N@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000848492894 653981266 /nfs/dbraw/zinc/98/12/66/653981266.db2.gz HNMWYTKZKNVDGU-GFCCVEGCSA-N 1 2 390.237 2.047 20 30 GEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)C[NH+]1CCOCC1 ZINC000869581278 654106731 /nfs/dbraw/zinc/10/67/31/654106731.db2.gz QMUWCMGJOURTPH-KBPBESRZSA-N 1 2 376.881 2.286 20 30 GEEDLO C#C[C@H](NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000852361036 654235801 /nfs/dbraw/zinc/23/58/01/654235801.db2.gz REWSIBNLHIYRFR-IRXDYDNUSA-N 1 2 392.297 2.240 20 30 GEEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000921321723 654247197 /nfs/dbraw/zinc/24/71/97/654247197.db2.gz JAHMVQQIKVDJIV-IRXDYDNUSA-N 1 2 379.551 2.346 20 30 GEEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000921321723 654247200 /nfs/dbraw/zinc/24/72/00/654247200.db2.gz JAHMVQQIKVDJIV-IRXDYDNUSA-N 1 2 379.551 2.346 20 30 GEEDLO N#Cc1ccc(C[N@@H+]2CCNC(=O)CC23CCOCC3)c(Br)c1 ZINC000872284804 654321227 /nfs/dbraw/zinc/32/12/27/654321227.db2.gz SFTCGVVJEUAYCB-UHFFFAOYSA-N 1 2 378.270 2.192 20 30 GEEDLO N#Cc1ccc(C[N@H+]2CCNC(=O)CC23CCOCC3)c(Br)c1 ZINC000872284804 654321232 /nfs/dbraw/zinc/32/12/32/654321232.db2.gz SFTCGVVJEUAYCB-UHFFFAOYSA-N 1 2 378.270 2.192 20 30 GEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000907078973 654508171 /nfs/dbraw/zinc/50/81/71/654508171.db2.gz PYJKVSKMXWJJIJ-DOTOQJQBSA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000907078973 654508175 /nfs/dbraw/zinc/50/81/75/654508175.db2.gz PYJKVSKMXWJJIJ-DOTOQJQBSA-N 1 2 376.869 2.330 20 30 GEEDLO COc1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncc1C#N ZINC001164672310 719499930 /nfs/dbraw/zinc/49/99/30/719499930.db2.gz JPNMTHFWFVUYIW-UHFFFAOYSA-N 1 2 397.454 2.367 20 30 GEEDLO COc1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncc1C#N ZINC001164672310 719499934 /nfs/dbraw/zinc/49/99/34/719499934.db2.gz JPNMTHFWFVUYIW-UHFFFAOYSA-N 1 2 397.454 2.367 20 30 GEEDLO N#Cc1ncc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1C#N ZINC001164673922 719526470 /nfs/dbraw/zinc/52/64/70/719526470.db2.gz SYSVXOYVSSBZJS-UHFFFAOYSA-N 1 2 392.438 2.230 20 30 GEEDLO N#Cc1ncc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1C#N ZINC001164673922 719526478 /nfs/dbraw/zinc/52/64/78/719526478.db2.gz SYSVXOYVSSBZJS-UHFFFAOYSA-N 1 2 392.438 2.230 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C2(C#N)CCC2)cn1 ZINC001164701886 719854022 /nfs/dbraw/zinc/85/40/22/719854022.db2.gz LMBGQBBSCXMAOE-WIYYLYMNSA-N 1 2 398.507 2.260 20 30 GEEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(c1C#N)CCCC2 ZINC001164703745 719879590 /nfs/dbraw/zinc/87/95/90/719879590.db2.gz UDUTXUCALNDLAO-VGSWGCGISA-N 1 2 398.507 2.065 20 30 GEEDLO N#Cc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164913319 721770630 /nfs/dbraw/zinc/77/06/30/721770630.db2.gz WONCDXLXBLAJNO-HXUWFJFHSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164913319 721770631 /nfs/dbraw/zinc/77/06/31/721770631.db2.gz WONCDXLXBLAJNO-HXUWFJFHSA-N 1 2 399.882 2.109 20 30 GEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000024371645 531601835 /nfs/dbraw/zinc/60/18/35/531601835.db2.gz MBHXCTBQFLZVLE-LLVKDONJSA-N 1 2 384.274 2.290 20 30 GEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1OC ZINC000024371645 531601841 /nfs/dbraw/zinc/60/18/41/531601841.db2.gz MBHXCTBQFLZVLE-LLVKDONJSA-N 1 2 384.274 2.290 20 30 GEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120981732 532006095 /nfs/dbraw/zinc/00/60/95/532006095.db2.gz SMJOPPWXLIHIAI-CXAGYDPISA-N 1 2 391.313 2.298 20 30 GEEDLO C=CC[N@@H+](Cc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000173359538 532006158 /nfs/dbraw/zinc/00/61/58/532006158.db2.gz XYCWQEYRGAMWAI-CQSZACIVSA-N 1 2 391.274 2.466 20 30 GEEDLO C=CC[N@H+](Cc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000173359538 532006163 /nfs/dbraw/zinc/00/61/63/532006163.db2.gz XYCWQEYRGAMWAI-CQSZACIVSA-N 1 2 391.274 2.466 20 30 GEEDLO CCN(CC)C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120975268 532006187 /nfs/dbraw/zinc/00/61/87/532006187.db2.gz BZRQPLUXTVEFOS-QGZVFWFLSA-N 1 2 393.329 2.500 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121163690 532015104 /nfs/dbraw/zinc/01/51/04/532015104.db2.gz AEDROVVGWPZCIW-HZPDHXFCSA-N 1 2 377.428 2.284 20 30 GEEDLO C=CC[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121163690 532015117 /nfs/dbraw/zinc/01/51/17/532015117.db2.gz AEDROVVGWPZCIW-HZPDHXFCSA-N 1 2 377.428 2.284 20 30 GEEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000178032120 532190456 /nfs/dbraw/zinc/19/04/56/532190456.db2.gz RWSLLZSQFVOLCQ-CYBMUJFWSA-N 1 2 376.881 2.113 20 30 GEEDLO CCC[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1CCOC ZINC000185573778 532338054 /nfs/dbraw/zinc/33/80/54/532338054.db2.gz GPTRQNYUZXDNMD-OAHLLOKOSA-N 1 2 385.917 2.333 20 30 GEEDLO CCC[C@@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@H+]1CCOC ZINC000185573778 532338055 /nfs/dbraw/zinc/33/80/55/532338055.db2.gz GPTRQNYUZXDNMD-OAHLLOKOSA-N 1 2 385.917 2.333 20 30 GEEDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H](C)O1 ZINC000186214474 532340056 /nfs/dbraw/zinc/34/00/56/532340056.db2.gz DMFDJFDIRJASTC-CHWSQXEVSA-N 1 2 385.917 2.378 20 30 GEEDLO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000590616301 532379942 /nfs/dbraw/zinc/37/99/42/532379942.db2.gz CILCCPJPGCXQCD-HNNXBMFYSA-N 1 2 378.270 2.258 20 30 GEEDLO Cc1cn2c([nH+]1)CN(C(=O)COc1ccc(C#N)c(Br)c1)CC2 ZINC000590703242 532381786 /nfs/dbraw/zinc/38/17/86/532381786.db2.gz CHVNHJSPKMUWTO-UHFFFAOYSA-N 1 2 375.226 2.247 20 30 GEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000558087347 532384883 /nfs/dbraw/zinc/38/48/83/532384883.db2.gz GGWJZBQOVAVLIE-AWEZNQCLSA-N 1 2 393.329 2.353 20 30 GEEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000516899092 532396335 /nfs/dbraw/zinc/39/63/35/532396335.db2.gz WLNHQTWSNYTTPW-AWEZNQCLSA-N 1 2 375.416 2.481 20 30 GEEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000516899092 532396342 /nfs/dbraw/zinc/39/63/42/532396342.db2.gz WLNHQTWSNYTTPW-AWEZNQCLSA-N 1 2 375.416 2.481 20 30 GEEDLO COCC(COC)[NH+]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000591222416 532402670 /nfs/dbraw/zinc/40/26/70/532402670.db2.gz PLPIKJSVZNIYGM-UHFFFAOYSA-N 1 2 386.279 2.284 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000295356402 532437103 /nfs/dbraw/zinc/43/71/03/532437103.db2.gz OPFJNJBGIHXVQC-RDJZCZTQSA-N 1 2 382.302 2.469 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000295356402 532437108 /nfs/dbraw/zinc/43/71/08/532437108.db2.gz OPFJNJBGIHXVQC-RDJZCZTQSA-N 1 2 382.302 2.469 20 30 GEEDLO N#Cc1csc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 ZINC000561405430 532438280 /nfs/dbraw/zinc/43/82/80/532438280.db2.gz GQHUOFXPILVXCG-UHFFFAOYSA-N 1 2 376.507 2.479 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000626584914 532440474 /nfs/dbraw/zinc/44/04/74/532440474.db2.gz SZNPGUGRIBZZEW-CYBMUJFWSA-N 1 2 384.274 2.466 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000626584914 532440481 /nfs/dbraw/zinc/44/04/81/532440481.db2.gz SZNPGUGRIBZZEW-CYBMUJFWSA-N 1 2 384.274 2.466 20 30 GEEDLO N#Cc1ncn(C2CC[NH+](Cc3cnc4ccc(Br)cn34)CC2)n1 ZINC000373469394 532452136 /nfs/dbraw/zinc/45/21/36/532452136.db2.gz ZJQIGJOERFMROU-UHFFFAOYSA-N 1 2 386.257 2.397 20 30 GEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1ccc(F)c(I)c1 ZINC000593154439 532471534 /nfs/dbraw/zinc/47/15/34/532471534.db2.gz PRAPWPDGSJSCIF-CYBMUJFWSA-N 1 2 375.185 2.004 20 30 GEEDLO C=CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)NCC(F)(F)F ZINC000375995537 532590014 /nfs/dbraw/zinc/59/00/14/532590014.db2.gz RTMGMUTZDCBGQM-OAHLLOKOSA-N 1 2 377.432 2.146 20 30 GEEDLO C=CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)NCC(F)(F)F ZINC000375995537 532590024 /nfs/dbraw/zinc/59/00/24/532590024.db2.gz RTMGMUTZDCBGQM-OAHLLOKOSA-N 1 2 377.432 2.146 20 30 GEEDLO N#Cc1ccc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000596902434 532609078 /nfs/dbraw/zinc/60/90/78/532609078.db2.gz CGJUEQLBWVHLFA-CQSZACIVSA-N 1 2 379.258 2.259 20 30 GEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000376348640 532609857 /nfs/dbraw/zinc/60/98/57/532609857.db2.gz MKDVGUDCYRBKLH-LLVKDONJSA-N 1 2 395.282 2.232 20 30 GEEDLO CCNC(=O)C[N@@H+]1CCCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000566477979 532610583 /nfs/dbraw/zinc/61/05/83/532610583.db2.gz FDOZZRYSFOTQKW-UHFFFAOYSA-N 1 2 383.265 2.108 20 30 GEEDLO CCNC(=O)C[N@H+]1CCCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000566477979 532610589 /nfs/dbraw/zinc/61/05/89/532610589.db2.gz FDOZZRYSFOTQKW-UHFFFAOYSA-N 1 2 383.265 2.108 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)N(CCn2cc[nH+]c2)C2CCSCC2)cc1 ZINC000566490523 532612729 /nfs/dbraw/zinc/61/27/29/532612729.db2.gz HTPLHTWMXONZFN-UHFFFAOYSA-N 1 2 376.507 2.341 20 30 GEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000567009941 532636075 /nfs/dbraw/zinc/63/60/75/532636075.db2.gz HNCGEENVFSQDIC-RHSMWYFYSA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000567009941 532636080 /nfs/dbraw/zinc/63/60/80/532636080.db2.gz HNCGEENVFSQDIC-RHSMWYFYSA-N 1 2 376.869 2.330 20 30 GEEDLO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000568530310 532679203 /nfs/dbraw/zinc/67/92/03/532679203.db2.gz URAXJLKMTWAFGA-NEPJUHHUSA-N 1 2 386.905 2.199 20 30 GEEDLO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000568530315 532679384 /nfs/dbraw/zinc/67/93/84/532679384.db2.gz URAXJLKMTWAFGA-NWDGAFQWSA-N 1 2 386.905 2.199 20 30 GEEDLO N#CCCCCS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000603398716 532693105 /nfs/dbraw/zinc/69/31/05/532693105.db2.gz PAGZQGNXJHRNBT-UHFFFAOYSA-N 1 2 376.404 2.246 20 30 GEEDLO C=CCNC(=O)C[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000393828622 532710390 /nfs/dbraw/zinc/71/03/90/532710390.db2.gz JEOSDCHXNRSQPY-UHFFFAOYSA-N 1 2 378.064 2.309 20 30 GEEDLO CC[N@@H+]1CC[C@@H](NS(=O)(=O)N(C)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539114928 532724423 /nfs/dbraw/zinc/72/44/23/532724423.db2.gz QGVLWUYMCDGOQA-CVEARBPZSA-N 1 2 388.896 2.294 20 30 GEEDLO CC[N@H+]1CC[C@@H](NS(=O)(=O)N(C)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539114928 532724432 /nfs/dbraw/zinc/72/44/32/532724432.db2.gz QGVLWUYMCDGOQA-CVEARBPZSA-N 1 2 388.896 2.294 20 30 GEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1ncc(Br)cc1Br ZINC000578512226 532737908 /nfs/dbraw/zinc/73/79/08/532737908.db2.gz RBYILCAVGLRKGK-LBPRGKRZSA-N 1 2 390.079 2.180 20 30 GEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000509432912 532770147 /nfs/dbraw/zinc/77/01/47/532770147.db2.gz VRVCFLSSLQPJDD-IUODEOHRSA-N 1 2 381.889 2.231 20 30 GEEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H](S(C)(=O)=O)C3)n2)C1 ZINC000328812631 532797491 /nfs/dbraw/zinc/79/74/91/532797491.db2.gz NBAWCUHAYQSWIL-TZMCWYRMSA-N 1 2 386.543 2.039 20 30 GEEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H](S(C)(=O)=O)C3)n2)C1 ZINC000328812631 532797496 /nfs/dbraw/zinc/79/74/96/532797496.db2.gz NBAWCUHAYQSWIL-TZMCWYRMSA-N 1 2 386.543 2.039 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000459659921 532797516 /nfs/dbraw/zinc/79/75/16/532797516.db2.gz NICDSXUSYVHMGU-UHFFFAOYSA-N 1 2 384.274 2.156 20 30 GEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000330373216 532817418 /nfs/dbraw/zinc/81/74/18/532817418.db2.gz KXXUXGVELRMBJF-OAHLLOKOSA-N 1 2 384.933 2.184 20 30 GEEDLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000330497710 532819920 /nfs/dbraw/zinc/81/99/20/532819920.db2.gz YPKKPAIIFCQATC-BETUJISGSA-N 1 2 385.917 2.378 20 30 GEEDLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000330497710 532819923 /nfs/dbraw/zinc/81/99/23/532819923.db2.gz YPKKPAIIFCQATC-BETUJISGSA-N 1 2 385.917 2.378 20 30 GEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000272828687 532818094 /nfs/dbraw/zinc/81/80/94/532818094.db2.gz KLPFBPSFBKNHTC-UHFFFAOYSA-N 1 2 375.281 2.265 20 30 GEEDLO CCN1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000332281443 532851572 /nfs/dbraw/zinc/85/15/72/532851572.db2.gz HYYJYQVGWRRIQZ-HNNXBMFYSA-N 1 2 379.873 2.002 20 30 GEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2cccc(Br)c2C#N)CC1 ZINC000276310393 532893214 /nfs/dbraw/zinc/89/32/14/532893214.db2.gz SAIUWQNLZPLIHE-UHFFFAOYSA-N 1 2 398.268 2.324 20 30 GEEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000737727842 598680727 /nfs/dbraw/zinc/68/07/27/598680727.db2.gz CPZDQWXAFNCSHI-UHFFFAOYSA-N 1 2 394.414 2.065 20 30 GEEDLO N#Cc1cccc(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)n1 ZINC000737730024 599422791 /nfs/dbraw/zinc/42/27/91/599422791.db2.gz DLHNRKMDFPLMDW-UHFFFAOYSA-N 1 2 383.419 2.008 20 30 GEEDLO Clc1cccc(C#CC[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)c1 ZINC000822586406 607507540 /nfs/dbraw/zinc/50/75/40/607507540.db2.gz XMJDNAUBDPIYDE-UHFFFAOYSA-N 1 2 379.855 2.089 20 30 GEEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccc(F)cc1 ZINC000819698011 606074703 /nfs/dbraw/zinc/07/47/03/606074703.db2.gz PTOHIKWAPDOPQF-UHFFFAOYSA-N 1 2 395.442 2.307 20 30 GEEDLO C#CC[N@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1ccc(F)cc1 ZINC000819698011 606074705 /nfs/dbraw/zinc/07/47/05/606074705.db2.gz PTOHIKWAPDOPQF-UHFFFAOYSA-N 1 2 395.442 2.307 20 30 GEEDLO Clc1ccc(C#CC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1 ZINC000822573590 606108868 /nfs/dbraw/zinc/10/88/68/606108868.db2.gz BRGCWGGKAGSACU-UHFFFAOYSA-N 1 2 379.855 2.089 20 30 GEEDLO N#Cc1cccc([C@H]2C[N@H+](CCOc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826386460 608070627 /nfs/dbraw/zinc/07/06/27/608070627.db2.gz GFJASWOVSOFEBG-LJQANCHMSA-N 1 2 376.420 2.191 20 30 GEEDLO N#Cc1cccc([C@H]2C[N@@H+](CCOc3cccc(-c4nn[nH]n4)c3)CCO2)c1 ZINC000826386460 608070628 /nfs/dbraw/zinc/07/06/28/608070628.db2.gz GFJASWOVSOFEBG-LJQANCHMSA-N 1 2 376.420 2.191 20 30 GEEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826177168 608357547 /nfs/dbraw/zinc/35/75/47/608357547.db2.gz VHDWPCMQAODNAV-UHFFFAOYSA-N 1 2 393.426 2.208 20 30 GEEDLO C[C@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[NH+]1CCC(C)(C#N)CC1 ZINC000824052791 609141462 /nfs/dbraw/zinc/14/14/62/609141462.db2.gz RRWRPZRFPCYQJX-LLVKDONJSA-N 1 2 385.497 2.370 20 30 GEEDLO C[C@@H](C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)[NH+]1CCC(C)(C#N)CC1 ZINC000824052792 609141883 /nfs/dbraw/zinc/14/18/83/609141883.db2.gz RRWRPZRFPCYQJX-NSHDSACASA-N 1 2 385.497 2.370 20 30 GEEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1C ZINC000450594437 650067742 /nfs/dbraw/zinc/06/77/42/650067742.db2.gz SLCQOGYQYGKZOP-LBPRGKRZSA-N 1 2 394.269 2.030 20 30 GEEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1C ZINC000450594437 650067743 /nfs/dbraw/zinc/06/77/43/650067743.db2.gz SLCQOGYQYGKZOP-LBPRGKRZSA-N 1 2 394.269 2.030 20 30 GEEDLO C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451358461 650107249 /nfs/dbraw/zinc/10/72/49/650107249.db2.gz GGLBNZLMAZGIPZ-VHSXEESVSA-N 1 2 390.278 2.173 20 30 GEEDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451358461 650107251 /nfs/dbraw/zinc/10/72/51/650107251.db2.gz GGLBNZLMAZGIPZ-VHSXEESVSA-N 1 2 390.278 2.173 20 30 GEEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1ccc(Br)cc1C#N ZINC000451926716 650154208 /nfs/dbraw/zinc/15/42/08/650154208.db2.gz MLQDPJPTZXXKBU-DOMZBBRYSA-N 1 2 378.270 2.256 20 30 GEEDLO N#Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1Br ZINC000455462879 650304994 /nfs/dbraw/zinc/30/49/94/650304994.db2.gz PHDWHJNSEFHPBL-AWEZNQCLSA-N 1 2 379.258 2.305 20 30 GEEDLO N#Cc1ccc(NC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1Br ZINC000455462879 650304998 /nfs/dbraw/zinc/30/49/98/650304998.db2.gz PHDWHJNSEFHPBL-AWEZNQCLSA-N 1 2 379.258 2.305 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1OCC ZINC000459709103 650430420 /nfs/dbraw/zinc/43/04/20/650430420.db2.gz OXWMCUVZOQPNGQ-HIFRSBDPSA-N 1 2 386.286 2.198 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)cc1OCC ZINC000459709103 650430422 /nfs/dbraw/zinc/43/04/22/650430422.db2.gz OXWMCUVZOQPNGQ-HIFRSBDPSA-N 1 2 386.286 2.198 20 30 GEEDLO C=CCOc1c(Br)cc(CNC[C@@H]2COCC[NH2+]2)cc1OCC ZINC000530181066 650717294 /nfs/dbraw/zinc/71/72/94/650717294.db2.gz JMDWZAFMXFXMBP-CQSZACIVSA-N 1 2 385.302 2.491 20 30 GEEDLO N#CCCCCS(=O)(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000123413835 643668816 /nfs/dbraw/zinc/66/88/16/643668816.db2.gz ZZSJRXBHEHKXIS-UHFFFAOYSA-N 1 2 384.933 2.075 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000190378082 645155610 /nfs/dbraw/zinc/15/56/10/645155610.db2.gz OXPYUUAZANDMPS-GOSISDBHSA-N 1 2 384.929 2.064 20 30 GEEDLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000190378082 645155613 /nfs/dbraw/zinc/15/56/13/645155613.db2.gz OXPYUUAZANDMPS-GOSISDBHSA-N 1 2 384.929 2.064 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](NC(N)=O)C2)cc1OC ZINC000271345163 646193818 /nfs/dbraw/zinc/19/38/18/646193818.db2.gz OWUMGBKNJSKXFX-LBPRGKRZSA-N 1 2 384.274 2.265 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](NC(N)=O)C2)cc1OC ZINC000271345163 646193830 /nfs/dbraw/zinc/19/38/30/646193830.db2.gz OWUMGBKNJSKXFX-LBPRGKRZSA-N 1 2 384.274 2.265 20 30 GEEDLO N#Cc1ccc(Br)cc1S(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000576091649 652096387 /nfs/dbraw/zinc/09/63/87/652096387.db2.gz AXAXPPARFZDGHP-UHFFFAOYSA-N 1 2 383.271 2.276 20 30 GEEDLO C[C@H](CNS(=O)(=O)c1cccc(F)c1C#N)[N@@H+]1CCc2sccc2C1 ZINC000750996639 652318557 /nfs/dbraw/zinc/31/85/57/652318557.db2.gz PUQXDECQLFIQLO-GFCCVEGCSA-N 1 2 379.482 2.484 20 30 GEEDLO C[C@H](CNS(=O)(=O)c1cccc(F)c1C#N)[N@H+]1CCc2sccc2C1 ZINC000750996639 652318561 /nfs/dbraw/zinc/31/85/61/652318561.db2.gz PUQXDECQLFIQLO-GFCCVEGCSA-N 1 2 379.482 2.484 20 30 GEEDLO N#Cc1csc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000752588798 652389262 /nfs/dbraw/zinc/38/92/62/652389262.db2.gz ZJLWIWGJFRPWCN-UHFFFAOYSA-N 1 2 375.475 2.182 20 30 GEEDLO N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000593492328 652622945 /nfs/dbraw/zinc/62/29/45/652622945.db2.gz AXENLYQEOCWEAC-KRWDZBQOSA-N 1 2 392.297 2.186 20 30 GEEDLO C=CCN1CC(=O)N(CCc2cn3cc(Br)cc(C)c3[nH+]2)C1=O ZINC000761786052 652657162 /nfs/dbraw/zinc/65/71/62/652657162.db2.gz NBBPBHDHPOXYAG-UHFFFAOYSA-N 1 2 377.242 2.398 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000594727109 652677140 /nfs/dbraw/zinc/67/71/40/652677140.db2.gz XMRPJZBFFDFYOC-UHFFFAOYSA-N 1 2 376.507 2.341 20 30 GEEDLO CC(C)(CNS(=O)(=O)c1cccc(Br)c1C#N)n1cc[nH+]c1 ZINC000601527064 653107212 /nfs/dbraw/zinc/10/72/12/653107212.db2.gz RRZQHQSCFDRCJN-UHFFFAOYSA-N 1 2 383.271 2.231 20 30 GEEDLO C=CC[N@@H+](CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)C1CC1 ZINC000771640640 653122837 /nfs/dbraw/zinc/12/28/37/653122837.db2.gz PSFLYIMTFBWIGC-UHFFFAOYSA-N 1 2 378.226 2.352 20 30 GEEDLO C=CC[N@H+](CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O)C1CC1 ZINC000771640640 653122845 /nfs/dbraw/zinc/12/28/45/653122845.db2.gz PSFLYIMTFBWIGC-UHFFFAOYSA-N 1 2 378.226 2.352 20 30 GEEDLO CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)Nc2cccc(Br)c2)nn1 ZINC000640879741 653143324 /nfs/dbraw/zinc/14/33/24/653143324.db2.gz HJSKYIAFABKVJA-LBPRGKRZSA-N 1 2 376.258 2.353 20 30 GEEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)C[N@H+](C)[C@H]2CCSC2)cc1Cl ZINC000773980172 653219393 /nfs/dbraw/zinc/21/93/93/653219393.db2.gz NUGFACBTEHEMDA-QWHCGFSZSA-N 1 2 381.885 2.433 20 30 GEEDLO COc1ccc(NC(=O)[C@H](C#N)C(=O)C[N@@H+](C)[C@H]2CCSC2)cc1Cl ZINC000773980172 653219397 /nfs/dbraw/zinc/21/93/97/653219397.db2.gz NUGFACBTEHEMDA-QWHCGFSZSA-N 1 2 381.885 2.433 20 30 GEEDLO N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000857977021 653345722 /nfs/dbraw/zinc/34/57/22/653345722.db2.gz QEQWHOWOUYASFX-AWEZNQCLSA-N 1 2 386.253 2.215 20 30 GEEDLO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000839622302 653658272 /nfs/dbraw/zinc/65/82/72/653658272.db2.gz OQZZLECVMABRAA-UHFFFAOYSA-N 1 2 383.901 2.242 20 30 GEEDLO O=C1Nc2ccc(F)c(Br)c2C1=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000863103887 653702229 /nfs/dbraw/zinc/70/22/29/653702229.db2.gz MZXCZUDMQFBJMJ-DTORHVGOSA-N 1 2 380.221 2.104 20 30 GEEDLO C#CCC1(O)CC[NH+](CCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000880479906 653706695 /nfs/dbraw/zinc/70/66/95/653706695.db2.gz BTDFCSXOUBQJEV-UHFFFAOYSA-N 1 2 386.311 2.073 20 30 GEEDLO C[C@@H]([NH2+]Cc1c(I)cnn1C)c1cccc(C#N)c1O ZINC000866631095 653807169 /nfs/dbraw/zinc/80/71/69/653807169.db2.gz FAHAAIYSEMKSIF-SECBINFHSA-N 1 2 382.205 2.453 20 30 GEEDLO O=C1[C@H]([NH2+]Cc2cc(Br)cc(Br)c2O)CCCN1O ZINC000895163555 653821217 /nfs/dbraw/zinc/82/12/17/653821217.db2.gz VYWFTFFRBQHNKU-SNVBAGLBSA-N 1 2 394.063 2.387 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000884406904 653875736 /nfs/dbraw/zinc/87/57/36/653875736.db2.gz LDUBZBVPKMAZIH-HNNXBMFYSA-N 1 2 395.297 2.335 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000884425649 653876470 /nfs/dbraw/zinc/87/64/70/653876470.db2.gz NWERJCVRYCCWNC-LBPRGKRZSA-N 1 2 391.212 2.104 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC1 ZINC000795043064 653927486 /nfs/dbraw/zinc/92/74/86/653927486.db2.gz WAAAIVIJDLTCNO-UHFFFAOYSA-N 1 2 378.263 2.355 20 30 GEEDLO C=CC[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 ZINC000826656487 653956183 /nfs/dbraw/zinc/95/61/83/653956183.db2.gz QCVYGVQJGAGHLC-UHFFFAOYSA-N 1 2 376.400 2.360 20 30 GEEDLO N#Cc1cc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)ccc1Br ZINC000887994859 654062255 /nfs/dbraw/zinc/06/22/55/654062255.db2.gz MHRZAXYEDZSROO-ZBFHGGJFSA-N 1 2 394.269 2.139 20 30 GEEDLO C/C(=C/C(=O)N[C@H](C#N)c1cccc(Br)c1)C[NH+]1CCOCC1 ZINC000900463859 654065575 /nfs/dbraw/zinc/06/55/75/654065575.db2.gz HKNJFJRCJPTEBQ-RCBBPTIPSA-N 1 2 378.270 2.408 20 30 GEEDLO C/C(=C/C(=O)N[C@H](C#N)c1ccccc1Br)C[NH+]1CCOCC1 ZINC000900699175 654076875 /nfs/dbraw/zinc/07/68/75/654076875.db2.gz KPJUYLJKVCNCJL-IVOILVROSA-N 1 2 378.270 2.408 20 30 GEEDLO C#CCO[C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000830139149 654101023 /nfs/dbraw/zinc/10/10/23/654101023.db2.gz VAHWRTWZQPPIIQ-ZDUSSCGKSA-N 1 2 380.286 2.178 20 30 GEEDLO C#CCO[C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000832333269 654259777 /nfs/dbraw/zinc/25/97/77/654259777.db2.gz VIJLQDZTTOPACM-ZDUSSCGKSA-N 1 2 380.242 2.306 20 30 GEEDLO Cc1ccc2c(c1Br)NC(=O)C2=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000853325178 654292623 /nfs/dbraw/zinc/29/26/23/654292623.db2.gz SRLHVKOQJXBPFP-QWRGUYRKSA-N 1 2 376.258 2.274 20 30 GEEDLO C#CC[NH+]1CCN(c2ncnc3c2c(Br)nn3C(C)(C)C)CC1 ZINC000891679211 654306047 /nfs/dbraw/zinc/30/60/47/654306047.db2.gz RDDHWIXTGBZLPI-UHFFFAOYSA-N 1 2 377.290 2.099 20 30 GEEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)c(C#N)cc1Cl ZINC001164697505 719878850 /nfs/dbraw/zinc/87/88/50/719878850.db2.gz CFDICUAKEBEUQB-KXBFYZLASA-N 1 2 392.887 2.148 20 30 GEEDLO C=CCN(Cc1cc(Br)ccc1F)C[C@@H](O)C[NH+]1CCOCC1 ZINC000160534309 531811074 /nfs/dbraw/zinc/81/10/74/531811074.db2.gz KJEOTCFAYURURI-INIZCTEOSA-N 1 2 387.293 2.269 20 30 GEEDLO CN(C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)C1CC1 ZINC000120996654 532007051 /nfs/dbraw/zinc/00/70/51/532007051.db2.gz YOIWSRVNJLMAPP-KRWDZBQOSA-N 1 2 391.313 2.252 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123648921 532105463 /nfs/dbraw/zinc/10/54/63/532105463.db2.gz YWVGYDBAJVIPFE-SJORKVTESA-N 1 2 380.535 2.318 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123648921 532105467 /nfs/dbraw/zinc/10/54/67/532105467.db2.gz YWVGYDBAJVIPFE-SJORKVTESA-N 1 2 380.535 2.318 20 30 GEEDLO NC(CN1CCOCC1)=[NH+]OCc1cc(Br)cc2cccnc21 ZINC000124162717 532115838 /nfs/dbraw/zinc/11/58/38/532115838.db2.gz JKZQHRSAEJJFKA-UHFFFAOYSA-N 1 2 379.258 2.118 20 30 GEEDLO CCS(=O)(=O)CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000129413225 532177422 /nfs/dbraw/zinc/17/74/22/532177422.db2.gz SBUSIINJKZFQCQ-UHFFFAOYSA-N 1 2 383.539 2.194 20 30 GEEDLO CCS(=O)(=O)CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000129413225 532177425 /nfs/dbraw/zinc/17/74/25/532177425.db2.gz SBUSIINJKZFQCQ-UHFFFAOYSA-N 1 2 383.539 2.194 20 30 GEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000134546393 532258485 /nfs/dbraw/zinc/25/84/85/532258485.db2.gz XYJFZQVKRLJNCL-UHFFFAOYSA-N 1 2 383.271 2.228 20 30 GEEDLO N#Cc1ccc(NCC[NH+]2CCN(c3ncccn3)CC2)c(Br)c1 ZINC000134667343 532260104 /nfs/dbraw/zinc/26/01/04/532260104.db2.gz GWPMDVPUTBJQPI-UHFFFAOYSA-N 1 2 387.285 2.345 20 30 GEEDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180197023 532260520 /nfs/dbraw/zinc/26/05/20/532260520.db2.gz ZHJVMKYONKLNLW-UHFFFAOYSA-N 1 2 385.917 2.191 20 30 GEEDLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H](C)O1 ZINC000186214450 532340176 /nfs/dbraw/zinc/34/01/76/532340176.db2.gz DMFDJFDIRJASTC-STQMWFEESA-N 1 2 385.917 2.378 20 30 GEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCc3cc(Br)ccc3NC2=O)C1=O ZINC000625388633 532422843 /nfs/dbraw/zinc/42/28/43/532422843.db2.gz VGOXOSJYCGHXFK-HZPDHXFCSA-N 1 2 392.297 2.421 20 30 GEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCc3cc(Br)ccc3NC2=O)C1=O ZINC000625388633 532422847 /nfs/dbraw/zinc/42/28/47/532422847.db2.gz VGOXOSJYCGHXFK-HZPDHXFCSA-N 1 2 392.297 2.421 20 30 GEEDLO N#Cc1nc(NCC[NH+]2CCN(C(=O)C3CCCCC3)CC2)sc1Cl ZINC000596125766 532588209 /nfs/dbraw/zinc/58/82/09/532588209.db2.gz FWLSXLHIBYDZBV-UHFFFAOYSA-N 1 2 381.933 2.805 20 30 GEEDLO C[C@](C#N)(NC(=O)C[NH+]1CCN(c2ccc(Br)cc2)CC1)C1CC1 ZINC000595739803 532572146 /nfs/dbraw/zinc/57/21/46/532572146.db2.gz QSWCIMSOVVBUEH-GOSISDBHSA-N 1 2 391.313 2.380 20 30 GEEDLO N#Cc1cnn2cc(C[N@H+](CCO)Cc3cc(Br)cs3)cnc12 ZINC000567049164 532638368 /nfs/dbraw/zinc/63/83/68/532638368.db2.gz AXNSCKIIMCPSGP-UHFFFAOYSA-N 1 2 392.282 2.419 20 30 GEEDLO N#Cc1cnn2cc(C[N@@H+](CCO)Cc3cc(Br)cs3)cnc12 ZINC000567049164 532638374 /nfs/dbraw/zinc/63/83/74/532638374.db2.gz AXNSCKIIMCPSGP-UHFFFAOYSA-N 1 2 392.282 2.419 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285395800 532677603 /nfs/dbraw/zinc/67/76/03/532677603.db2.gz CHHBITQQFXZKMS-OAHLLOKOSA-N 1 2 376.400 2.111 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285395800 532677607 /nfs/dbraw/zinc/67/76/07/532677607.db2.gz CHHBITQQFXZKMS-OAHLLOKOSA-N 1 2 376.400 2.111 20 30 GEEDLO CN1C(=O)CSC12CC[NH+](CC(=O)Nc1cc(Cl)ccc1C#N)CC2 ZINC000378624099 532699848 /nfs/dbraw/zinc/69/98/48/532699848.db2.gz QWGCAZJMVHWHFB-UHFFFAOYSA-N 1 2 378.885 2.147 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494289760 532715900 /nfs/dbraw/zinc/71/59/00/532715900.db2.gz FKNCXYJRZMDPIY-HNNXBMFYSA-N 1 2 388.331 2.359 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494289760 532715905 /nfs/dbraw/zinc/71/59/05/532715905.db2.gz FKNCXYJRZMDPIY-HNNXBMFYSA-N 1 2 388.331 2.359 20 30 GEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)Nc2ccc(Br)cc2)C1=O ZINC000499998672 532730277 /nfs/dbraw/zinc/73/02/77/532730277.db2.gz TTWRYPJAFHSBQB-WFASDCNBSA-N 1 2 380.286 2.495 20 30 GEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)Nc2ccc(Br)cc2)C1=O ZINC000499998672 532730285 /nfs/dbraw/zinc/73/02/85/532730285.db2.gz TTWRYPJAFHSBQB-WFASDCNBSA-N 1 2 380.286 2.495 20 30 GEEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C1CC1 ZINC000510436125 532773072 /nfs/dbraw/zinc/77/30/72/532773072.db2.gz OKIYENMMKAEWJU-CQSZACIVSA-N 1 2 395.282 2.484 20 30 GEEDLO C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[S@](=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328925938 532800316 /nfs/dbraw/zinc/80/03/16/532800316.db2.gz OOAGVQPSMWPZQJ-KYQWMJGMSA-N 1 2 387.908 2.497 20 30 GEEDLO C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[S@](=O)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000328925938 532800318 /nfs/dbraw/zinc/80/03/18/532800318.db2.gz OOAGVQPSMWPZQJ-KYQWMJGMSA-N 1 2 387.908 2.497 20 30 GEEDLO C[N@H+](CCC#N)C[C@H](O)CSc1nnc(NCc2ccc(F)cc2)s1 ZINC000414113585 532819114 /nfs/dbraw/zinc/81/91/14/532819114.db2.gz SDBPCVFDICTMFR-AWEZNQCLSA-N 1 2 381.502 2.588 20 30 GEEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1nnc(NCc2ccc(F)cc2)s1 ZINC000414113585 532819117 /nfs/dbraw/zinc/81/91/17/532819117.db2.gz SDBPCVFDICTMFR-AWEZNQCLSA-N 1 2 381.502 2.588 20 30 GEEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1nnc(NCc2ccc(F)cc2)s1 ZINC000414113589 532819480 /nfs/dbraw/zinc/81/94/80/532819480.db2.gz SDBPCVFDICTMFR-CQSZACIVSA-N 1 2 381.502 2.588 20 30 GEEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1nnc(NCc2ccc(F)cc2)s1 ZINC000414113589 532819482 /nfs/dbraw/zinc/81/94/82/532819482.db2.gz SDBPCVFDICTMFR-CQSZACIVSA-N 1 2 381.502 2.588 20 30 GEEDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000330675959 532825317 /nfs/dbraw/zinc/82/53/17/532825317.db2.gz SZJHKWCPSCITAM-UHFFFAOYSA-N 1 2 386.315 2.283 20 30 GEEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3cccnc3C#N)CC2)s1 ZINC000331141419 532834167 /nfs/dbraw/zinc/83/41/67/532834167.db2.gz HAIWDEHNOQQWTD-UHFFFAOYSA-N 1 2 376.507 2.084 20 30 GEEDLO CCN1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332367112 532853029 /nfs/dbraw/zinc/85/30/29/532853029.db2.gz VYWLUWJMPLYMOH-CQSZACIVSA-N 1 2 379.873 2.002 20 30 GEEDLO C[NH+]1CCC(Oc2ccc(NS(=O)(=O)c3ccc(C#N)s3)cn2)CC1 ZINC000366637920 532919731 /nfs/dbraw/zinc/91/97/31/532919731.db2.gz ZIRPUZAEBRZAET-UHFFFAOYSA-N 1 2 378.479 2.289 20 30 GEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)nc1C ZINC000368488199 532932747 /nfs/dbraw/zinc/93/27/47/532932747.db2.gz YTDPGDUVLYJKTB-MRVPVSSYSA-N 1 2 386.453 2.120 20 30 GEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1 ZINC000735380186 598682903 /nfs/dbraw/zinc/68/29/03/598682903.db2.gz DXOKDQPHDRBWSU-KRWDZBQOSA-N 1 2 389.419 2.090 20 30 GEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2cccc(-c3nn[nH]n3)c2)nc1 ZINC000735380186 598682904 /nfs/dbraw/zinc/68/29/04/598682904.db2.gz DXOKDQPHDRBWSU-KRWDZBQOSA-N 1 2 389.419 2.090 20 30 GEEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000825710803 601815794 /nfs/dbraw/zinc/81/57/94/601815794.db2.gz BPTAJXLNZDRHIT-CVEARBPZSA-N 1 2 393.557 2.238 20 30 GEEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000825710803 601815795 /nfs/dbraw/zinc/81/57/95/601815795.db2.gz BPTAJXLNZDRHIT-CVEARBPZSA-N 1 2 393.557 2.238 20 30 GEEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000822826144 606535390 /nfs/dbraw/zinc/53/53/90/606535390.db2.gz UXNGKZQXBQALJD-UHFFFAOYSA-N 1 2 393.476 2.148 20 30 GEEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000822826144 606535391 /nfs/dbraw/zinc/53/53/91/606535391.db2.gz UXNGKZQXBQALJD-UHFFFAOYSA-N 1 2 393.476 2.148 20 30 GEEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1C ZINC000450585811 650067475 /nfs/dbraw/zinc/06/74/75/650067475.db2.gz GVTKICKQCLGTBE-GFCCVEGCSA-N 1 2 394.269 2.030 20 30 GEEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@H]1C ZINC000450585811 650067476 /nfs/dbraw/zinc/06/74/76/650067476.db2.gz GVTKICKQCLGTBE-GFCCVEGCSA-N 1 2 394.269 2.030 20 30 GEEDLO N#CCC1(CS(=O)(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000451466121 650118035 /nfs/dbraw/zinc/11/80/35/650118035.db2.gz OGXPZQKIMRRDQA-KRWDZBQOSA-N 1 2 379.551 2.217 20 30 GEEDLO N#CCC1(CS(=O)(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000451466121 650118039 /nfs/dbraw/zinc/11/80/39/650118039.db2.gz OGXPZQKIMRRDQA-KRWDZBQOSA-N 1 2 379.551 2.217 20 30 GEEDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(C#N)c1Br ZINC000451689901 650133412 /nfs/dbraw/zinc/13/34/12/650133412.db2.gz KPUQUQVEJPMWGD-GXTWGEPZSA-N 1 2 378.270 2.256 20 30 GEEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc3cc(Br)ccc3n2)CC1 ZINC000524868679 650647685 /nfs/dbraw/zinc/64/76/85/650647685.db2.gz GHZQTESBWTWNPU-UHFFFAOYSA-N 1 2 389.297 2.422 20 30 GEEDLO N#Cc1ccc([C@H]([NH2+]CC(=O)Nc2cccc(Br)c2)C(N)=O)cc1 ZINC000537551318 650815952 /nfs/dbraw/zinc/81/59/52/650815952.db2.gz PPNZEKJHBMDQMW-INIZCTEOSA-N 1 2 387.237 2.075 20 30 GEEDLO N#Cc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(Br)c2)C(N)=O)cc1 ZINC000537551330 650816027 /nfs/dbraw/zinc/81/60/27/650816027.db2.gz PPNZEKJHBMDQMW-MRXNPFEDSA-N 1 2 387.237 2.075 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000108871201 643284587 /nfs/dbraw/zinc/28/45/87/643284587.db2.gz YDXVYFXTYUZRQD-KGLIPLIRSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000108871201 643284593 /nfs/dbraw/zinc/28/45/93/643284593.db2.gz YDXVYFXTYUZRQD-KGLIPLIRSA-N 1 2 394.320 2.408 20 30 GEEDLO C=C(Br)CNC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111842939 643348317 /nfs/dbraw/zinc/34/83/17/643348317.db2.gz BKDFRXWMUNMIIZ-MRXNPFEDSA-N 1 2 382.302 2.138 20 30 GEEDLO N#Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)C(N)=O)cc1 ZINC000115597583 643444177 /nfs/dbraw/zinc/44/41/77/643444177.db2.gz YPUOKUZDNLSDCL-MRXNPFEDSA-N 1 2 387.237 2.075 20 30 GEEDLO NC(CCO)=[NH+]OCc1coc(-c2ccc(I)cc2)n1 ZINC000121382851 643632278 /nfs/dbraw/zinc/63/22/78/643632278.db2.gz PRMYDVJWBRZXTI-UHFFFAOYSA-N 1 2 387.177 2.117 20 30 GEEDLO N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000126043727 643719666 /nfs/dbraw/zinc/71/96/66/643719666.db2.gz MCPWWIDXJOQSPC-INIZCTEOSA-N 1 2 388.269 2.055 20 30 GEEDLO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000560618245 651312585 /nfs/dbraw/zinc/31/25/85/651312585.db2.gz AYTGQJCAFSNJLO-ZDUSSCGKSA-N 1 2 379.507 2.411 20 30 GEEDLO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000560618245 651312587 /nfs/dbraw/zinc/31/25/87/651312587.db2.gz AYTGQJCAFSNJLO-ZDUSSCGKSA-N 1 2 379.507 2.411 20 30 GEEDLO N#Cc1c(Br)cccc1S(=O)(=O)NCCNc1cccc[nH+]1 ZINC000576235946 652098858 /nfs/dbraw/zinc/09/88/58/652098858.db2.gz OPFSGAHROAIQOV-UHFFFAOYSA-N 1 2 381.255 2.106 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000753058320 652398757 /nfs/dbraw/zinc/39/87/57/652398757.db2.gz RORLHNLPSBKPBH-UHFFFAOYSA-N 1 2 380.242 2.447 20 30 GEEDLO CN(C1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1)S(C)(=O)=O ZINC000582697637 652459244 /nfs/dbraw/zinc/45/92/44/652459244.db2.gz IRSGYOLBRLBLER-UHFFFAOYSA-N 1 2 375.416 2.433 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000590758962 652580697 /nfs/dbraw/zinc/58/06/97/652580697.db2.gz JBTWDNGMSVNCJD-LLVKDONJSA-N 1 2 375.226 2.027 20 30 GEEDLO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000592522195 652598208 /nfs/dbraw/zinc/59/82/08/652598208.db2.gz IQVXEACTCKBDEV-QGZVFWFLSA-N 1 2 380.286 2.136 20 30 GEEDLO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000592522195 652598213 /nfs/dbraw/zinc/59/82/13/652598213.db2.gz IQVXEACTCKBDEV-QGZVFWFLSA-N 1 2 380.286 2.136 20 30 GEEDLO C[C@@H]1C[N@H+](CCNC(=O)Cc2ccc(Br)cc2C#N)[C@@H](C)CO1 ZINC000597993283 652795184 /nfs/dbraw/zinc/79/51/84/652795184.db2.gz FOXRUAKTOKBRCD-QWHCGFSZSA-N 1 2 380.286 2.089 20 30 GEEDLO C[C@@H]1C[N@@H+](CCNC(=O)Cc2ccc(Br)cc2C#N)[C@@H](C)CO1 ZINC000597993283 652795192 /nfs/dbraw/zinc/79/51/92/652795192.db2.gz FOXRUAKTOKBRCD-QWHCGFSZSA-N 1 2 380.286 2.089 20 30 GEEDLO CC(C)(CNS(=O)(=O)c1ccc(C#N)c(Br)c1)n1cc[nH+]c1 ZINC000601526576 653107474 /nfs/dbraw/zinc/10/74/74/653107474.db2.gz MVLWPNYPLAYHTF-UHFFFAOYSA-N 1 2 383.271 2.231 20 30 GEEDLO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)CCc2c[nH]c[nH+]2)n1 ZINC000806408466 653161894 /nfs/dbraw/zinc/16/18/94/653161894.db2.gz CQSRKDORYYZBRE-UHFFFAOYSA-N 1 2 375.483 2.095 20 30 GEEDLO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)CCc2c[nH+]c[nH]2)n1 ZINC000806408466 653161900 /nfs/dbraw/zinc/16/19/00/653161900.db2.gz CQSRKDORYYZBRE-UHFFFAOYSA-N 1 2 375.483 2.095 20 30 GEEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC000769767832 653176422 /nfs/dbraw/zinc/17/64/22/653176422.db2.gz BYDWPARHSOKUIP-UHFFFAOYSA-N 1 2 375.519 2.000 20 30 GEEDLO N#Cc1ccc(N2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)nc1 ZINC000602442218 653181089 /nfs/dbraw/zinc/18/10/89/653181089.db2.gz VGTLWQYOMHWTSW-UHFFFAOYSA-N 1 2 398.268 2.081 20 30 GEEDLO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+][C@@H](C)CC#N ZINC000602871209 653210730 /nfs/dbraw/zinc/21/07/30/653210730.db2.gz ZIVOOANKXDRCNR-LBPRGKRZSA-N 1 2 381.274 2.046 20 30 GEEDLO N#Cc1cscc1C(=O)OCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000814616142 653637309 /nfs/dbraw/zinc/63/73/09/653637309.db2.gz WNWGXHNNBLBDHU-UHFFFAOYSA-N 1 2 375.475 2.182 20 30 GEEDLO C#CCNC(=O)C1CC[NH+](Cc2c(Br)cccc2C(=O)OC)CC1 ZINC000814620452 653637451 /nfs/dbraw/zinc/63/74/51/653637451.db2.gz RTAPIUZCILMUTL-UHFFFAOYSA-N 1 2 393.281 2.197 20 30 GEEDLO C#CCCS(=O)(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000841570744 653736323 /nfs/dbraw/zinc/73/63/23/653736323.db2.gz OISYUDSYMNVPIG-UHFFFAOYSA-N 1 2 385.327 2.356 20 30 GEEDLO C#CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CCOc2ccc(Br)cc21 ZINC000865825768 653776335 /nfs/dbraw/zinc/77/63/35/653776335.db2.gz GJYIIQVBOVOEAQ-GOEBONIOSA-N 1 2 390.237 2.191 20 30 GEEDLO C[NH+](C)CCNC(=O)CC1SC(=Nc2ccsc2)N(CC(F)F)C1=O ZINC000790729257 653796279 /nfs/dbraw/zinc/79/62/79/653796279.db2.gz VRJLQPINKQTLTD-LLVKDONJSA-N 1 2 390.481 2.013 20 30 GEEDLO C[NH+](C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CC(F)F)C1=O ZINC000790729257 653796282 /nfs/dbraw/zinc/79/62/82/653796282.db2.gz VRJLQPINKQTLTD-LLVKDONJSA-N 1 2 390.481 2.013 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccc(Br)cc1OC ZINC000884318579 653871989 /nfs/dbraw/zinc/87/19/89/653871989.db2.gz ZRWAJXGFXBYUPI-GWCFXTLKSA-N 1 2 385.258 2.082 20 30 GEEDLO O=C1C=COC2(CC[NH+](Cc3sc(N4CCOCC4)nc3Cl)CC2)C1 ZINC000897599559 653929528 /nfs/dbraw/zinc/92/95/28/653929528.db2.gz QFUDINKMHOLIOK-UHFFFAOYSA-N 1 2 383.901 2.471 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccccc2Cl)N(C[C@@H]2CC[N@@H+]2C)C1=O ZINC000901523180 654129037 /nfs/dbraw/zinc/12/90/37/654129037.db2.gz VCENDPVEICEFCB-SMDDNHRTSA-N 1 2 380.901 2.112 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccccc2Cl)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000901523180 654129042 /nfs/dbraw/zinc/12/90/42/654129042.db2.gz VCENDPVEICEFCB-SMDDNHRTSA-N 1 2 380.901 2.112 20 30 GEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC2)CC1 ZINC000830743911 654140110 /nfs/dbraw/zinc/14/01/10/654140110.db2.gz JWROWFXBDZXKSN-UHFFFAOYSA-N 1 2 389.301 2.201 20 30 GEEDLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000903008115 654209325 /nfs/dbraw/zinc/20/93/25/654209325.db2.gz FTGHMJIKZYHEGT-UHFFFAOYSA-N 1 2 386.315 2.224 20 30 GEEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000921321724 654247273 /nfs/dbraw/zinc/24/72/73/654247273.db2.gz JAHMVQQIKVDJIV-SJORKVTESA-N 1 2 379.551 2.346 20 30 GEEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000921321724 654247278 /nfs/dbraw/zinc/24/72/78/654247278.db2.gz JAHMVQQIKVDJIV-SJORKVTESA-N 1 2 379.551 2.346 20 30 GEEDLO CCOC1CC(CNc2cc(Br)cnc2C#N)([NH+]2CCOCC2)C1 ZINC000853540108 654302194 /nfs/dbraw/zinc/30/21/94/654302194.db2.gz GXOPFGJRDIIFQA-UHFFFAOYSA-N 1 2 395.301 2.398 20 30 GEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC2)cc1 ZINC000905248009 654344137 /nfs/dbraw/zinc/34/41/37/654344137.db2.gz BUPOBJMYECRPMJ-CQSZACIVSA-N 1 2 390.698 2.324 20 30 GEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)C1 ZINC000923574038 654469838 /nfs/dbraw/zinc/46/98/38/654469838.db2.gz COZWCQVOTVBNNE-ZDUSSCGKSA-N 1 2 388.265 2.118 20 30 GEEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ncc(Br)cc3O)C2)nc1 ZINC000894585821 654488254 /nfs/dbraw/zinc/48/82/54/654488254.db2.gz QIKOIILRTVHAOD-ZDUSSCGKSA-N 1 2 375.226 2.470 20 30 GEEDLO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ncc(Br)cc3O)C2)nc1 ZINC000894585821 654488256 /nfs/dbraw/zinc/48/82/56/654488256.db2.gz QIKOIILRTVHAOD-ZDUSSCGKSA-N 1 2 375.226 2.470 20 30 GEEDLO C#CC[NH+]1CCC(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000928651590 654654346 /nfs/dbraw/zinc/65/43/46/654654346.db2.gz WUQQLJKBUFUIGZ-UHFFFAOYSA-N 1 2 382.913 2.106 20 30 GEEDLO Cc1csc(C[C@H]2CC[N@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)n1 ZINC000933125010 654803046 /nfs/dbraw/zinc/80/30/46/654803046.db2.gz DAFLIGHSZGBBCH-CQSZACIVSA-N 1 2 376.507 2.057 20 30 GEEDLO Cc1csc(C[C@H]2CC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cn3)C2)n1 ZINC000933125010 654803048 /nfs/dbraw/zinc/80/30/48/654803048.db2.gz DAFLIGHSZGBBCH-CQSZACIVSA-N 1 2 376.507 2.057 20 30 GEEDLO CCC(CC)[C@H](CNS(=O)(=O)Cc1csc(C#N)c1)[NH+]1CCOCC1 ZINC000913900055 654814602 /nfs/dbraw/zinc/81/46/02/654814602.db2.gz VDUNAAKJPVMXDV-KRWDZBQOSA-N 1 2 385.555 2.176 20 30 GEEDLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)Cc2csc(C#N)c2)C[C@H](C)O1 ZINC000913967952 654819254 /nfs/dbraw/zinc/81/92/54/654819254.db2.gz DTMYFMMLSWPAPP-LZWOXQAQSA-N 1 2 383.539 2.023 20 30 GEEDLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)Cc2csc(C#N)c2)C[C@H](C)O1 ZINC000913967952 654819258 /nfs/dbraw/zinc/81/92/58/654819258.db2.gz DTMYFMMLSWPAPP-LZWOXQAQSA-N 1 2 383.539 2.023 20 30 GEEDLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)Cc2csc(C#N)c2)C[C@@H](C)O1 ZINC000913967949 654819343 /nfs/dbraw/zinc/81/93/43/654819343.db2.gz DTMYFMMLSWPAPP-FMKPAKJESA-N 1 2 383.539 2.023 20 30 GEEDLO COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000014101314 210103513 /nfs/dbraw/zinc/10/35/13/210103513.db2.gz WPOVNUBVUANNNG-UHFFFAOYSA-N 1 2 385.489 2.463 20 30 GEEDLO COc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000014101314 210103519 /nfs/dbraw/zinc/10/35/19/210103519.db2.gz WPOVNUBVUANNNG-UHFFFAOYSA-N 1 2 385.489 2.463 20 30 GEEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000048059832 531726381 /nfs/dbraw/zinc/72/63/81/531726381.db2.gz AJUBKSGGOFBONH-UHFFFAOYSA-N 1 2 381.318 2.391 20 30 GEEDLO Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(Br)c1 ZINC000162151852 531835389 /nfs/dbraw/zinc/83/53/89/531835389.db2.gz RZVVTHIOAHRRGP-UHFFFAOYSA-N 1 2 380.286 2.446 20 30 GEEDLO C[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)[N@@H+]1CCc2sccc2C1 ZINC000171418092 531905719 /nfs/dbraw/zinc/90/57/19/531905719.db2.gz BUTWKRVHAZZICW-LBPRGKRZSA-N 1 2 379.482 2.484 20 30 GEEDLO C[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000171418092 531905724 /nfs/dbraw/zinc/90/57/24/531905724.db2.gz BUTWKRVHAZZICW-LBPRGKRZSA-N 1 2 379.482 2.484 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(F)c(Br)c1 ZINC000172937460 531975849 /nfs/dbraw/zinc/97/58/49/531975849.db2.gz RNQOBOBECZYJJJ-UHFFFAOYSA-N 1 2 384.249 2.276 20 30 GEEDLO CC(C)NC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120989972 532006388 /nfs/dbraw/zinc/00/63/88/532006388.db2.gz UGSZMCOVGWXWTA-INIZCTEOSA-N 1 2 379.302 2.156 20 30 GEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000121830571 532048538 /nfs/dbraw/zinc/04/85/38/532048538.db2.gz LSIJKDTVFGDCNC-LBPRGKRZSA-N 1 2 377.286 2.110 20 30 GEEDLO C=CCNC(=O)CN1CC[NH+](C[C@H](C)c2cccc(Br)c2)CC1 ZINC000122248447 532062900 /nfs/dbraw/zinc/06/29/00/532062900.db2.gz FSSGZSKEXFQRCE-HNNXBMFYSA-N 1 2 380.330 2.472 20 30 GEEDLO C=CCNC(=O)C[NH+]1CCN(C[C@H](C)c2cccc(Br)c2)CC1 ZINC000122248447 532062907 /nfs/dbraw/zinc/06/29/07/532062907.db2.gz FSSGZSKEXFQRCE-HNNXBMFYSA-N 1 2 380.330 2.472 20 30 GEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000123352521 532098928 /nfs/dbraw/zinc/09/89/28/532098928.db2.gz KVHCEHOPLXBUKD-MRXNPFEDSA-N 1 2 383.901 2.087 20 30 GEEDLO C=CCC[NH+]1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000133116905 532227328 /nfs/dbraw/zinc/22/73/28/532227328.db2.gz YOWFCYAFZYRSBR-UHFFFAOYSA-N 1 2 387.343 2.417 20 30 GEEDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185398464 532337729 /nfs/dbraw/zinc/33/77/29/532337729.db2.gz ILXBAQPJSHXQHT-UHFFFAOYSA-N 1 2 385.917 2.191 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1nc2cc(Br)ccc2[nH]1 ZINC000184977549 532336459 /nfs/dbraw/zinc/33/64/59/532336459.db2.gz AGJLDDUYDIXTMP-UHFFFAOYSA-N 1 2 392.301 2.373 20 30 GEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000558087348 532384791 /nfs/dbraw/zinc/38/47/91/532384791.db2.gz GGWJZBQOVAVLIE-CQSZACIVSA-N 1 2 393.329 2.353 20 30 GEEDLO C[N@H+](CCC#N)C[C@@H](O)CNCc1c(F)c(F)c(Br)c(F)c1F ZINC000591771355 532423614 /nfs/dbraw/zinc/42/36/14/532423614.db2.gz PDSLLFOZNZORRN-QMMMGPOBSA-N 1 2 398.198 2.301 20 30 GEEDLO C[N@@H+](CCC#N)C[C@@H](O)CNCc1c(F)c(F)c(Br)c(F)c1F ZINC000591771355 532423619 /nfs/dbraw/zinc/42/36/19/532423619.db2.gz PDSLLFOZNZORRN-QMMMGPOBSA-N 1 2 398.198 2.301 20 30 GEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296219334 532506170 /nfs/dbraw/zinc/50/61/70/532506170.db2.gz KBHVMRRDEALBTA-INIZCTEOSA-N 1 2 379.869 2.046 20 30 GEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296219334 532506174 /nfs/dbraw/zinc/50/61/74/532506174.db2.gz KBHVMRRDEALBTA-INIZCTEOSA-N 1 2 379.869 2.046 20 30 GEEDLO C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](CO)c1ccc(Cl)cc1 ZINC000296219337 532507080 /nfs/dbraw/zinc/50/70/80/532507080.db2.gz KBHVMRRDEALBTA-MRXNPFEDSA-N 1 2 379.869 2.046 20 30 GEEDLO C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H](CO)c1ccc(Cl)cc1 ZINC000296219337 532507086 /nfs/dbraw/zinc/50/70/86/532507086.db2.gz KBHVMRRDEALBTA-MRXNPFEDSA-N 1 2 379.869 2.046 20 30 GEEDLO CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000431632203 532520219 /nfs/dbraw/zinc/52/02/19/532520219.db2.gz GSKFEVIPIYSCLP-CQSZACIVSA-N 1 2 379.873 2.002 20 30 GEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000375710759 532577972 /nfs/dbraw/zinc/57/79/72/532577972.db2.gz IUXRAHNVOQSHSC-HNNXBMFYSA-N 1 2 380.857 2.069 20 30 GEEDLO CN(CCC#N)C(=O)CC[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284820008 532623131 /nfs/dbraw/zinc/62/31/31/532623131.db2.gz PTLPUKLAENPRQY-UHFFFAOYSA-N 1 2 395.257 2.478 20 30 GEEDLO CN(CCC#N)C(=O)CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284820008 532623135 /nfs/dbraw/zinc/62/31/35/532623135.db2.gz PTLPUKLAENPRQY-UHFFFAOYSA-N 1 2 395.257 2.478 20 30 GEEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000299652796 532732386 /nfs/dbraw/zinc/73/23/86/532732386.db2.gz LBEFBIAFJWMDFE-SJORKVTESA-N 1 2 391.313 2.300 20 30 GEEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000299652794 532732481 /nfs/dbraw/zinc/73/24/81/532732481.db2.gz LBEFBIAFJWMDFE-IAGOWNOFSA-N 1 2 391.313 2.300 20 30 GEEDLO N#Cc1ccc(NC(=O)NCC2([NH+]3CCOCC3)CC2)cc1Br ZINC000287251129 532788228 /nfs/dbraw/zinc/78/82/28/532788228.db2.gz PMWRRFVFINVMPY-UHFFFAOYSA-N 1 2 379.258 2.307 20 30 GEEDLO O=C(NCc1cc(Br)c2c(c1)OCCO2)N1CCn2cc[nH+]c2C1 ZINC000329863646 532812606 /nfs/dbraw/zinc/81/26/06/532812606.db2.gz ZHGFTDILDHUZGH-UHFFFAOYSA-N 1 2 393.241 2.347 20 30 GEEDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H](C)O1 ZINC000330497711 532819498 /nfs/dbraw/zinc/81/94/98/532819498.db2.gz YPKKPAIIFCQATC-CHWSQXEVSA-N 1 2 385.917 2.378 20 30 GEEDLO C=C(C)CN(CC)C(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000288533482 532830529 /nfs/dbraw/zinc/83/05/29/532830529.db2.gz KIRGGAQLOWBEGO-UHFFFAOYSA-N 1 2 393.285 2.446 20 30 GEEDLO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(C(=O)COc3ccccc3)CC2)cc1 ZINC000359928302 209203211 /nfs/dbraw/zinc/20/32/11/209203211.db2.gz QCMHOSQJZRBMBI-UHFFFAOYSA-N 1 2 392.459 2.110 20 30 GEEDLO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(C(=O)COc3ccccc3)CC2)cc1 ZINC000359928302 209203217 /nfs/dbraw/zinc/20/32/17/209203217.db2.gz QCMHOSQJZRBMBI-UHFFFAOYSA-N 1 2 392.459 2.110 20 30 GEEDLO N#Cc1ccc(Br)c(C[NH+]2CCC(N3CCCS3(=O)=O)CC2)c1 ZINC000334059751 532877944 /nfs/dbraw/zinc/87/79/44/532877944.db2.gz YASLZNWZGQDWFN-UHFFFAOYSA-N 1 2 398.326 2.321 20 30 GEEDLO CN1CC[N@H+](C)C[C@H]1c1noc(COc2ccc(C#N)c(Br)c2)n1 ZINC000351085478 532887415 /nfs/dbraw/zinc/88/74/15/532887415.db2.gz PVXJWACTUDETJV-AWEZNQCLSA-N 1 2 392.257 2.201 20 30 GEEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(COc2ccc(C#N)c(Br)c2)n1 ZINC000351085478 532887417 /nfs/dbraw/zinc/88/74/17/532887417.db2.gz PVXJWACTUDETJV-AWEZNQCLSA-N 1 2 392.257 2.201 20 30 GEEDLO N#C[C@@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1 ZINC000293432482 532926909 /nfs/dbraw/zinc/92/69/09/532926909.db2.gz JJFGJCCPGJJOMN-HIFRSBDPSA-N 1 2 398.326 2.448 20 30 GEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000367864298 532927939 /nfs/dbraw/zinc/92/79/39/532927939.db2.gz AGABEUDBFWTLTH-HNNXBMFYSA-N 1 2 392.297 2.392 20 30 GEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000367864298 532927941 /nfs/dbraw/zinc/92/79/41/532927941.db2.gz AGABEUDBFWTLTH-HNNXBMFYSA-N 1 2 392.297 2.392 20 30 GEEDLO C#Cc1cccc(NC(=O)CNC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)c1 ZINC000072272822 570453751 /nfs/dbraw/zinc/45/37/51/570453751.db2.gz BUIKHTNZTHPLSX-FQEVSTJZSA-N 1 2 387.443 2.429 20 30 GEEDLO N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)c(F)c1 ZINC000737718969 598256729 /nfs/dbraw/zinc/25/67/29/598256729.db2.gz QTXVFVZTUWRSOP-UHFFFAOYSA-N 1 2 381.390 2.339 20 30 GEEDLO COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1-c1nn[nH]n1 ZINC000826195172 608067504 /nfs/dbraw/zinc/06/75/04/608067504.db2.gz KKCWDCDDKLPTAP-IBGZPJMESA-N 1 2 376.420 2.320 20 30 GEEDLO COc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1-c1nn[nH]n1 ZINC000826195172 608067505 /nfs/dbraw/zinc/06/75/05/608067505.db2.gz KKCWDCDDKLPTAP-IBGZPJMESA-N 1 2 376.420 2.320 20 30 GEEDLO Cc1ccc(C#N)c(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)n1 ZINC000826281178 608280476 /nfs/dbraw/zinc/28/04/76/608280476.db2.gz HLKGMKFPSMGFRV-UHFFFAOYSA-N 1 2 397.446 2.317 20 30 GEEDLO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826384831 608460318 /nfs/dbraw/zinc/46/03/18/608460318.db2.gz LFFAKNINRNSVQN-LJQANCHMSA-N 1 2 385.431 2.054 20 30 GEEDLO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826384831 608460319 /nfs/dbraw/zinc/46/03/19/608460319.db2.gz LFFAKNINRNSVQN-LJQANCHMSA-N 1 2 385.431 2.054 20 30 GEEDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1C ZINC000450594436 650067681 /nfs/dbraw/zinc/06/76/81/650067681.db2.gz SLCQOGYQYGKZOP-GFCCVEGCSA-N 1 2 394.269 2.030 20 30 GEEDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1C ZINC000450594436 650067683 /nfs/dbraw/zinc/06/76/83/650067683.db2.gz SLCQOGYQYGKZOP-GFCCVEGCSA-N 1 2 394.269 2.030 20 30 GEEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@@H+]1CCOC ZINC000451207401 650096296 /nfs/dbraw/zinc/09/62/96/650096296.db2.gz KCPXLJWKEIELAA-OAHLLOKOSA-N 1 2 385.917 2.137 20 30 GEEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@H+]1CCOC ZINC000451207401 650096300 /nfs/dbraw/zinc/09/63/00/650096300.db2.gz KCPXLJWKEIELAA-OAHLLOKOSA-N 1 2 385.917 2.137 20 30 GEEDLO N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000532551834 650749990 /nfs/dbraw/zinc/74/99/90/650749990.db2.gz XLVITFRAZWHJDV-INIZCTEOSA-N 1 2 388.269 2.381 20 30 GEEDLO C=C(Br)CNC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000111842937 643348308 /nfs/dbraw/zinc/34/83/08/643348308.db2.gz BKDFRXWMUNMIIZ-INIZCTEOSA-N 1 2 382.302 2.138 20 30 GEEDLO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)[N@@H+]1CCc2sccc2C1 ZINC000156407815 644095013 /nfs/dbraw/zinc/09/50/13/644095013.db2.gz DOJXIEWOLFTTFK-LBPRGKRZSA-N 1 2 379.482 2.484 20 30 GEEDLO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)[N@H+]1CCc2sccc2C1 ZINC000156407815 644095016 /nfs/dbraw/zinc/09/50/16/644095016.db2.gz DOJXIEWOLFTTFK-LBPRGKRZSA-N 1 2 379.482 2.484 20 30 GEEDLO C=CCNC(=O)C[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000271926825 646241853 /nfs/dbraw/zinc/24/18/53/646241853.db2.gz DQGPHVRREQHAOJ-LLVKDONJSA-N 1 2 378.274 2.291 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)cc1Br ZINC000278927931 646563297 /nfs/dbraw/zinc/56/32/97/646563297.db2.gz XELMWZLNMBDLQE-UHFFFAOYSA-N 1 2 384.299 2.180 20 30 GEEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCCS(=O)(=O)C3)n2)C1 ZINC000329427409 647320310 /nfs/dbraw/zinc/32/03/10/647320310.db2.gz GIEPZSBZYBFEON-CHWSQXEVSA-N 1 2 386.543 2.278 20 30 GEEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCCS(=O)(=O)C3)n2)C1 ZINC000329427409 647320317 /nfs/dbraw/zinc/32/03/17/647320317.db2.gz GIEPZSBZYBFEON-CHWSQXEVSA-N 1 2 386.543 2.278 20 30 GEEDLO CC(C)[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[N@@H+]1C ZINC000553542992 651180068 /nfs/dbraw/zinc/18/00/68/651180068.db2.gz OOALKQSNGNYHAG-CQSZACIVSA-N 1 2 386.315 2.281 20 30 GEEDLO CC(C)[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CC[N@H+]1C ZINC000553542992 651180071 /nfs/dbraw/zinc/18/00/71/651180071.db2.gz OOALKQSNGNYHAG-CQSZACIVSA-N 1 2 386.315 2.281 20 30 GEEDLO C#CCC[NH+]1CCN(S(=O)(=O)/C=C/c2ccccc2Br)CC1 ZINC000727454362 651521954 /nfs/dbraw/zinc/52/19/54/651521954.db2.gz DGFQWEWVNXRCHX-RIYZIHGNSA-N 1 2 383.311 2.391 20 30 GEEDLO N#Cc1csc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000573886411 651985891 /nfs/dbraw/zinc/98/58/91/651985891.db2.gz LZBIKYZAEPFXAM-UHFFFAOYSA-N 1 2 391.305 2.390 20 30 GEEDLO C=CCNC(=O)CN1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000588160243 652549851 /nfs/dbraw/zinc/54/98/51/652549851.db2.gz SQZXOKVIDWVFBK-UHFFFAOYSA-N 1 2 389.297 2.422 20 30 GEEDLO N#CC[C@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000595615252 652734924 /nfs/dbraw/zinc/73/49/24/652734924.db2.gz LMZJBZFBKJWACB-CYBMUJFWSA-N 1 2 393.285 2.129 20 30 GEEDLO N#CC[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000595615252 652734929 /nfs/dbraw/zinc/73/49/29/652734929.db2.gz LMZJBZFBKJWACB-CYBMUJFWSA-N 1 2 393.285 2.129 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598950895 652842679 /nfs/dbraw/zinc/84/26/79/652842679.db2.gz VUTOELQIIRMQEO-NSHDSACASA-N 1 2 375.226 2.027 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2cnc3ccc(Br)cc3c2O)CC1 ZINC000767793647 652950305 /nfs/dbraw/zinc/95/03/05/652950305.db2.gz ARFVATLNQCHLIY-UHFFFAOYSA-N 1 2 388.265 2.072 20 30 GEEDLO Cc1ccc(Br)c2ncc(C#N)c(NC[C@@H]3CN(C)CC[N@@H+]3C)c12 ZINC000601115799 652955171 /nfs/dbraw/zinc/95/51/71/652955171.db2.gz KUKGMELLRZXMAI-CQSZACIVSA-N 1 2 388.313 2.257 20 30 GEEDLO Cc1ccc(Br)c2ncc(C#N)c(NC[C@@H]3CN(C)CC[N@H+]3C)c12 ZINC000601115799 652955176 /nfs/dbraw/zinc/95/51/76/652955176.db2.gz KUKGMELLRZXMAI-CQSZACIVSA-N 1 2 388.313 2.257 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000676701879 653104195 /nfs/dbraw/zinc/10/41/95/653104195.db2.gz NLZSSYOWKKMOSW-STQMWFEESA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000676701879 653104198 /nfs/dbraw/zinc/10/41/98/653104198.db2.gz NLZSSYOWKKMOSW-STQMWFEESA-N 1 2 394.320 2.408 20 30 GEEDLO C[NH+]1CCC(n2cc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cn2)CC1 ZINC000601979961 653135931 /nfs/dbraw/zinc/13/59/31/653135931.db2.gz VYYLQODRYSOEHX-UHFFFAOYSA-N 1 2 379.873 2.476 20 30 GEEDLO CC#CC[NH2+]Cc1cn(Cc2nc(-c3cccc(Br)c3)no2)nn1 ZINC000640878677 653143187 /nfs/dbraw/zinc/14/31/87/653143187.db2.gz UYSZBKVCSAZJHS-UHFFFAOYSA-N 1 2 387.241 2.252 20 30 GEEDLO CC#CC[NH2+]Cc1cn(CC(=O)NCCc2cccc(Cl)c2Cl)nn1 ZINC000640982489 653148619 /nfs/dbraw/zinc/14/86/19/653148619.db2.gz JXSCJTZWLHFAQF-UHFFFAOYSA-N 1 2 380.279 2.057 20 30 GEEDLO CC#CC[NH2+]Cc1cn(Cc2nc(-c3ccc(Br)s3)no2)nn1 ZINC000641048258 653152640 /nfs/dbraw/zinc/15/26/40/653152640.db2.gz CKIXAVYXHKHYMC-UHFFFAOYSA-N 1 2 393.270 2.313 20 30 GEEDLO C#C[C@H](C)[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000769962727 653192689 /nfs/dbraw/zinc/19/26/89/653192689.db2.gz IQFMLCXQBWCENT-ZDUSSCGKSA-N 1 2 380.286 2.108 20 30 GEEDLO C#C[C@H](C)[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C ZINC000769962727 653192693 /nfs/dbraw/zinc/19/26/93/653192693.db2.gz IQFMLCXQBWCENT-ZDUSSCGKSA-N 1 2 380.286 2.108 20 30 GEEDLO C#CC[C@H](COC)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000858358964 653361457 /nfs/dbraw/zinc/36/14/57/653361457.db2.gz OSQQNEBJXSHAMA-OAHLLOKOSA-N 1 2 393.285 2.285 20 30 GEEDLO C[C@H]1C[NH+]=C(NN=Cc2cc(Br)cc(Br)c2O)N1 ZINC000779802110 653611019 /nfs/dbraw/zinc/61/10/19/653611019.db2.gz BFTDZYJGWNXUBR-LURJTMIESA-N 1 2 376.052 2.188 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cccc([N+](=O)[O-])c1Br ZINC000839502612 653652547 /nfs/dbraw/zinc/65/25/47/653652547.db2.gz AAHFQZAZNMDAKN-UHFFFAOYSA-N 1 2 397.273 2.405 20 30 GEEDLO COc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(Br)cc2)cc1 ZINC000782949175 653672545 /nfs/dbraw/zinc/67/25/45/653672545.db2.gz QPJZCFLRHKTOFW-UHFFFAOYSA-N 1 2 392.253 2.411 20 30 GEEDLO C#CCC1(O)CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000880476894 653706693 /nfs/dbraw/zinc/70/66/93/653706693.db2.gz JFINVSOKGUGZSO-UHFFFAOYSA-N 1 2 386.311 2.073 20 30 GEEDLO C#CCOCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787537903 653739789 /nfs/dbraw/zinc/73/97/89/653739789.db2.gz YDPMNMGQYSHIEB-UHFFFAOYSA-N 1 2 380.286 2.179 20 30 GEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2ccccc2Br)n1 ZINC000789323113 653771573 /nfs/dbraw/zinc/77/15/73/653771573.db2.gz WGHIVBOUSPEQSH-SFHVURJKSA-N 1 2 392.297 2.461 20 30 GEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2ccccc2Br)n1 ZINC000789323113 653771575 /nfs/dbraw/zinc/77/15/75/653771575.db2.gz WGHIVBOUSPEQSH-SFHVURJKSA-N 1 2 392.297 2.461 20 30 GEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2cccc(Br)c2)n1 ZINC000789325670 653771688 /nfs/dbraw/zinc/77/16/88/653771688.db2.gz HTPHVKFWMUHNNN-GOSISDBHSA-N 1 2 392.297 2.461 20 30 GEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2cccc(Br)c2)n1 ZINC000789325670 653771691 /nfs/dbraw/zinc/77/16/91/653771691.db2.gz HTPHVKFWMUHNNN-GOSISDBHSA-N 1 2 392.297 2.461 20 30 GEEDLO CS(=O)(=O)N(CCO[NH+]=C(N)c1ccc(Cl)cc1)Cc1ccccc1 ZINC000790488428 653793030 /nfs/dbraw/zinc/79/30/30/653793030.db2.gz AGVYDOLXEZUUME-UHFFFAOYSA-N 1 2 381.885 2.439 20 30 GEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000791090035 653803280 /nfs/dbraw/zinc/80/32/80/653803280.db2.gz OCPDONKMZWQDCH-AWEZNQCLSA-N 1 2 389.253 2.213 20 30 GEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1nc(-c2cccc(Br)c2)no1 ZINC000791090035 653803283 /nfs/dbraw/zinc/80/32/83/653803283.db2.gz OCPDONKMZWQDCH-AWEZNQCLSA-N 1 2 389.253 2.213 20 30 GEEDLO N#Cc1nc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)ccc1Br ZINC000883093001 653826164 /nfs/dbraw/zinc/82/61/64/653826164.db2.gz GMVPYGPHBIHKOD-LBPRGKRZSA-N 1 2 394.273 2.044 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1OC ZINC000895326794 653827906 /nfs/dbraw/zinc/82/79/06/653827906.db2.gz GVMBZQYNYNVVGW-GUYCJALGSA-N 1 2 386.286 2.340 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1OC ZINC000895326794 653827910 /nfs/dbraw/zinc/82/79/10/653827910.db2.gz GVMBZQYNYNVVGW-GUYCJALGSA-N 1 2 386.286 2.340 20 30 GEEDLO Cn1c(CC#N)nn(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1=S ZINC000794634459 653914783 /nfs/dbraw/zinc/91/47/83/653914783.db2.gz QDWWBTBBQFYQPW-UHFFFAOYSA-N 1 2 376.917 2.446 20 30 GEEDLO N#Cc1ccc(OCC(=O)N[C@H]2CCC[N@@H+](CCF)C2)cc1Br ZINC000898504245 653974497 /nfs/dbraw/zinc/97/44/97/653974497.db2.gz PAERMUBRKFTGGY-ZDUSSCGKSA-N 1 2 384.249 2.250 20 30 GEEDLO N#Cc1ccc(OCC(=O)N[C@H]2CCC[N@H+](CCF)C2)cc1Br ZINC000898504245 653974500 /nfs/dbraw/zinc/97/45/00/653974500.db2.gz PAERMUBRKFTGGY-ZDUSSCGKSA-N 1 2 384.249 2.250 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC000795917848 653977189 /nfs/dbraw/zinc/97/71/89/653977189.db2.gz OGABTTHFABVYJL-UHFFFAOYSA-N 1 2 392.297 2.414 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccc(Cl)cc2)N(C[C@@H]2CC[N@@H+]2C)C1=O ZINC000901541914 654130002 /nfs/dbraw/zinc/13/00/02/654130002.db2.gz ZJKMYABEDKFUBO-UONOGXRCSA-N 1 2 380.901 2.112 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccc(Cl)cc2)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000901541914 654130006 /nfs/dbraw/zinc/13/00/06/654130006.db2.gz ZJKMYABEDKFUBO-UONOGXRCSA-N 1 2 380.901 2.112 20 30 GEEDLO N#Cc1cc(CS(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cs1 ZINC000918852071 654164063 /nfs/dbraw/zinc/16/40/63/654164063.db2.gz HDIZOSGLBVCKPM-UHFFFAOYSA-N 1 2 394.547 2.188 20 30 GEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)C)CC1 ZINC000802670986 654235918 /nfs/dbraw/zinc/23/59/18/654235918.db2.gz OAKWUJDWNFHHDH-UHFFFAOYSA-N 1 2 391.317 2.447 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](Cc3nccs3)C2)nc1 ZINC000932205606 654770210 /nfs/dbraw/zinc/77/02/10/654770210.db2.gz YQFVNZZISRGNJR-AWEZNQCLSA-N 1 2 376.507 2.138 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](Cc3nccs3)C2)nc1 ZINC000932205606 654770213 /nfs/dbraw/zinc/77/02/13/654770213.db2.gz YQFVNZZISRGNJR-AWEZNQCLSA-N 1 2 376.507 2.138 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C)c1C#N ZINC001164703951 719840669 /nfs/dbraw/zinc/84/06/69/719840669.db2.gz ROEZPSHYWHSTIN-AUUYWEPGSA-N 1 2 392.887 2.148 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C#N)c2ccccc2n1 ZINC001164703083 719867694 /nfs/dbraw/zinc/86/76/94/719867694.db2.gz JTVGSEKZAIJPOP-HTAPYJJXSA-N 1 2 394.475 2.339 20 30 GEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000024371644 531602460 /nfs/dbraw/zinc/60/24/60/531602460.db2.gz MBHXCTBQFLZVLE-NSHDSACASA-N 1 2 384.274 2.290 20 30 GEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cc(Br)ccc1OC ZINC000024371644 531602467 /nfs/dbraw/zinc/60/24/67/531602467.db2.gz MBHXCTBQFLZVLE-NSHDSACASA-N 1 2 384.274 2.290 20 30 GEEDLO CC(C)C[NH+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000155079868 531656654 /nfs/dbraw/zinc/65/66/54/531656654.db2.gz LXOXDTGXMMXSLP-UHFFFAOYSA-N 1 2 386.315 2.283 20 30 GEEDLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)c2cccc(Cl)c2C#N)C[C@H](C)O1 ZINC000156300733 531727034 /nfs/dbraw/zinc/72/70/34/531727034.db2.gz ZXJPCZPXTKMYJB-BETUJISGSA-N 1 2 385.917 2.378 20 30 GEEDLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)c2cccc(Cl)c2C#N)C[C@H](C)O1 ZINC000156300733 531727042 /nfs/dbraw/zinc/72/70/42/531727042.db2.gz ZXJPCZPXTKMYJB-BETUJISGSA-N 1 2 385.917 2.378 20 30 GEEDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)s1 ZINC000159585337 531785459 /nfs/dbraw/zinc/78/54/59/531785459.db2.gz HBGDXCRUEMEYAY-UHFFFAOYSA-N 1 2 376.507 2.084 20 30 GEEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000121215625 532018633 /nfs/dbraw/zinc/01/86/33/532018633.db2.gz HQPPREUOKXICPA-ZDUSSCGKSA-N 1 2 382.511 2.046 20 30 GEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121759250 532045384 /nfs/dbraw/zinc/04/53/84/532045384.db2.gz NDQSZPXUUWQDIV-IRXDYDNUSA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121759250 532045388 /nfs/dbraw/zinc/04/53/88/532045388.db2.gz NDQSZPXUUWQDIV-IRXDYDNUSA-N 1 2 376.869 2.330 20 30 GEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000123353044 532098601 /nfs/dbraw/zinc/09/86/01/532098601.db2.gz WARHSGWSFQHEDS-CQSZACIVSA-N 1 2 383.901 2.087 20 30 GEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000180914215 532285829 /nfs/dbraw/zinc/28/58/29/532285829.db2.gz PEIKQEDPCUMBTI-CQSZACIVSA-N 1 2 393.329 2.353 20 30 GEEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)[N@@H+]1CCc2sccc2C1 ZINC000151057486 532306398 /nfs/dbraw/zinc/30/63/98/532306398.db2.gz FNBGMRMPHOLFOA-GFCCVEGCSA-N 1 2 379.482 2.484 20 30 GEEDLO C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)[N@H+]1CCc2sccc2C1 ZINC000151057486 532306399 /nfs/dbraw/zinc/30/63/99/532306399.db2.gz FNBGMRMPHOLFOA-GFCCVEGCSA-N 1 2 379.482 2.484 20 30 GEEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)[N@@H+]1CCc2sccc2C1 ZINC000151057434 532306552 /nfs/dbraw/zinc/30/65/52/532306552.db2.gz FNBGMRMPHOLFOA-LBPRGKRZSA-N 1 2 379.482 2.484 20 30 GEEDLO C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)[N@H+]1CCc2sccc2C1 ZINC000151057434 532306556 /nfs/dbraw/zinc/30/65/56/532306556.db2.gz FNBGMRMPHOLFOA-LBPRGKRZSA-N 1 2 379.482 2.484 20 30 GEEDLO C=CCNC(=O)C[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191354212 532360620 /nfs/dbraw/zinc/36/06/20/532360620.db2.gz KQBVDDZIKZFLDE-UHFFFAOYSA-N 1 2 385.302 2.333 20 30 GEEDLO C=CCNC(=O)C[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191354212 532360621 /nfs/dbraw/zinc/36/06/21/532360621.db2.gz KQBVDDZIKZFLDE-UHFFFAOYSA-N 1 2 385.302 2.333 20 30 GEEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191349212 532360653 /nfs/dbraw/zinc/36/06/53/532360653.db2.gz VGIYFGDRCQFHED-CYBMUJFWSA-N 1 2 397.313 2.169 20 30 GEEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191349212 532360654 /nfs/dbraw/zinc/36/06/54/532360654.db2.gz VGIYFGDRCQFHED-CYBMUJFWSA-N 1 2 397.313 2.169 20 30 GEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)CCc2[nH]cc[nH+]2)nc1C ZINC000279191246 532391111 /nfs/dbraw/zinc/39/11/11/532391111.db2.gz LLURJWCKBBOUEC-UHFFFAOYSA-N 1 2 375.483 2.479 20 30 GEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cccc(F)c1I ZINC000591241740 532403330 /nfs/dbraw/zinc/40/33/30/532403330.db2.gz AMQNKRKEWWOZTI-JTQLQIEISA-N 1 2 378.185 2.015 20 30 GEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cccc(F)c1I ZINC000591241740 532403338 /nfs/dbraw/zinc/40/33/38/532403338.db2.gz AMQNKRKEWWOZTI-JTQLQIEISA-N 1 2 378.185 2.015 20 30 GEEDLO C=CCOCCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000680388996 532413529 /nfs/dbraw/zinc/41/35/29/532413529.db2.gz JGGPIGZNSSCPCG-UHFFFAOYSA-N 1 2 381.274 2.450 20 30 GEEDLO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000591852519 532426337 /nfs/dbraw/zinc/42/63/37/532426337.db2.gz XKMZBSMEZTVOPT-ILXRZTDVSA-N 1 2 382.254 2.365 20 30 GEEDLO C=C[C@@H](C(=O)OC)[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000591852519 532426344 /nfs/dbraw/zinc/42/63/44/532426344.db2.gz XKMZBSMEZTVOPT-ILXRZTDVSA-N 1 2 382.254 2.365 20 30 GEEDLO C[C@H]([C@H](C)NC(=O)Cc1ccc(Br)cc1C#N)[NH+]1CCOCC1 ZINC000593457479 532482888 /nfs/dbraw/zinc/48/28/88/532482888.db2.gz YDQJJHXQTCYRQI-QWHCGFSZSA-N 1 2 380.286 2.089 20 30 GEEDLO COc1cc[nH+]cc1CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000431595460 532516889 /nfs/dbraw/zinc/51/68/89/532516889.db2.gz JIXBZTNFWFHGOY-UHFFFAOYSA-N 1 2 382.239 2.203 20 30 GEEDLO C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000653697760 532541309 /nfs/dbraw/zinc/54/13/09/532541309.db2.gz RJNCXJHGPJJUDG-OCCSQVGLSA-N 1 2 397.273 2.146 20 30 GEEDLO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594769892 532524968 /nfs/dbraw/zinc/52/49/68/532524968.db2.gz BHWLOFCJIULWAA-CQSZACIVSA-N 1 2 379.507 2.080 20 30 GEEDLO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594769892 532524972 /nfs/dbraw/zinc/52/49/72/532524972.db2.gz BHWLOFCJIULWAA-CQSZACIVSA-N 1 2 379.507 2.080 20 30 GEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528779470 532581549 /nfs/dbraw/zinc/58/15/49/532581549.db2.gz XQDJXTGORDAINV-OIISXLGYSA-N 1 2 382.551 2.303 20 30 GEEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528779470 532581555 /nfs/dbraw/zinc/58/15/55/532581555.db2.gz XQDJXTGORDAINV-OIISXLGYSA-N 1 2 382.551 2.303 20 30 GEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528779539 532581922 /nfs/dbraw/zinc/58/19/22/532581922.db2.gz XQDJXTGORDAINV-UAGQMJEPSA-N 1 2 382.551 2.303 20 30 GEEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528779539 532581926 /nfs/dbraw/zinc/58/19/26/532581926.db2.gz XQDJXTGORDAINV-UAGQMJEPSA-N 1 2 382.551 2.303 20 30 GEEDLO N#CCCN(CCOc1ccc(Br)cc1)CC[NH+]1CCOCC1 ZINC000530665502 532625315 /nfs/dbraw/zinc/62/53/15/532625315.db2.gz YWNMNACFHVAHDB-UHFFFAOYSA-N 1 2 382.302 2.376 20 30 GEEDLO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2n[nH]cc2Br)c(OC)c1 ZINC000567464288 532654251 /nfs/dbraw/zinc/65/42/51/532654251.db2.gz MLGHBWPFOBBVPX-ZDUSSCGKSA-N 1 2 396.285 2.439 20 30 GEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000264090243 532659205 /nfs/dbraw/zinc/65/92/05/532659205.db2.gz ASUAIMQFCAGYMN-UHFFFAOYSA-N 1 2 386.254 2.030 20 30 GEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000264090243 532659208 /nfs/dbraw/zinc/65/92/08/532659208.db2.gz ASUAIMQFCAGYMN-UHFFFAOYSA-N 1 2 386.254 2.030 20 30 GEEDLO N#Cc1cnn2c1NC[C@@H](C[NH2+]Cc1nc3cccc(Br)c3[nH]1)C2 ZINC000569693937 532703286 /nfs/dbraw/zinc/70/32/86/532703286.db2.gz BWQFCRXRLDIAFH-SNVBAGLBSA-N 1 2 386.257 2.225 20 30 GEEDLO COc1cc(C(N)=[NH+]OCCCS(=O)(=O)C(C)C)cc(Cl)c1OC ZINC000268169528 532757507 /nfs/dbraw/zinc/75/75/07/532757507.db2.gz PVCHRQKINOQRRL-UHFFFAOYSA-N 1 2 378.878 2.207 20 30 GEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000548457056 532791413 /nfs/dbraw/zinc/79/14/13/532791413.db2.gz CFSSTMPBMITHHB-CVEARBPZSA-N 1 2 383.901 2.133 20 30 GEEDLO C[C@H](C#N)CN(C)S(=O)(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000330377284 532817427 /nfs/dbraw/zinc/81/74/27/532817427.db2.gz PZSDBFARPAELNV-CABCVRRESA-N 1 2 384.933 2.355 20 30 GEEDLO N#Cc1ccc(C[NH+]2CCN(c3nc(N)ns3)CC2)c(Br)c1 ZINC000272513964 532816327 /nfs/dbraw/zinc/81/63/27/532816327.db2.gz KLSYANGPKNFYRK-UHFFFAOYSA-N 1 2 379.287 2.077 20 30 GEEDLO COc1ccc(Cl)cc1-c1nc(SC[C@@H](O)C[N@H+](C)CCC#N)n[nH]1 ZINC000414103531 532819286 /nfs/dbraw/zinc/81/92/86/532819286.db2.gz XBQSLWGARLAUBW-LBPRGKRZSA-N 1 2 381.889 2.432 20 30 GEEDLO COc1ccc(Cl)cc1-c1nc(SC[C@@H](O)C[N@@H+](C)CCC#N)n[nH]1 ZINC000414103531 532819290 /nfs/dbraw/zinc/81/92/90/532819290.db2.gz XBQSLWGARLAUBW-LBPRGKRZSA-N 1 2 381.889 2.432 20 30 GEEDLO CCOc1cc(C#N)cc(Br)c1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414145740 532819724 /nfs/dbraw/zinc/81/97/24/532819724.db2.gz PQGOSCOKMISAHQ-ZDUSSCGKSA-N 1 2 382.258 2.305 20 30 GEEDLO CCOc1cc(C#N)cc(Br)c1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414145740 532819728 /nfs/dbraw/zinc/81/97/28/532819728.db2.gz PQGOSCOKMISAHQ-ZDUSSCGKSA-N 1 2 382.258 2.305 20 30 GEEDLO C=CCCCN(C)C(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000288478267 532828585 /nfs/dbraw/zinc/82/85/85/532828585.db2.gz GHBQLABSEBSKKR-UHFFFAOYSA-N 1 2 393.285 2.446 20 30 GEEDLO C[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000359932357 209204547 /nfs/dbraw/zinc/20/45/47/209204547.db2.gz AZHIKHHDBQEULL-LJQANCHMSA-N 1 2 380.423 2.051 20 30 GEEDLO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000359932357 209204552 /nfs/dbraw/zinc/20/45/52/209204552.db2.gz AZHIKHHDBQEULL-LJQANCHMSA-N 1 2 380.423 2.051 20 30 GEEDLO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000360888562 532891243 /nfs/dbraw/zinc/89/12/43/532891243.db2.gz OCMGRFRBLHGSJH-GFCCVEGCSA-N 1 2 375.479 2.365 20 30 GEEDLO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000360888562 532891246 /nfs/dbraw/zinc/89/12/46/532891246.db2.gz OCMGRFRBLHGSJH-GFCCVEGCSA-N 1 2 375.479 2.365 20 30 GEEDLO N#Cc1ccc(C[NH+]2CCN(c3ccc(Cl)c(-c4nn[nH]n4)n3)CC2)cc1 ZINC000737711020 598275864 /nfs/dbraw/zinc/27/58/64/598275864.db2.gz DPFIYSKHMGGHPF-UHFFFAOYSA-N 1 2 380.843 2.109 20 30 GEEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000825710804 601815932 /nfs/dbraw/zinc/81/59/32/601815932.db2.gz BPTAJXLNZDRHIT-HOTGVXAUSA-N 1 2 393.557 2.238 20 30 GEEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000825710804 601815934 /nfs/dbraw/zinc/81/59/34/601815934.db2.gz BPTAJXLNZDRHIT-HOTGVXAUSA-N 1 2 393.557 2.238 20 30 GEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](c2cccnc2)CC1=O ZINC000823915348 608235951 /nfs/dbraw/zinc/23/59/51/608235951.db2.gz VUHDNMGRWCTJDB-LJQANCHMSA-N 1 2 389.463 2.223 20 30 GEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](c2cccnc2)CC1=O ZINC000823915348 608235952 /nfs/dbraw/zinc/23/59/52/608235952.db2.gz VUHDNMGRWCTJDB-LJQANCHMSA-N 1 2 389.463 2.223 20 30 GEEDLO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823861940 608851716 /nfs/dbraw/zinc/85/17/16/608851716.db2.gz UOOZKRQPSSCJII-FQEVSTJZSA-N 1 2 375.432 2.452 20 30 GEEDLO C#CCOc1ccccc1C[N@H+]1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823861940 608851719 /nfs/dbraw/zinc/85/17/19/608851719.db2.gz UOOZKRQPSSCJII-FQEVSTJZSA-N 1 2 375.432 2.452 20 30 GEEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000451967100 650158917 /nfs/dbraw/zinc/15/89/17/650158917.db2.gz GQNHQBKLEDZYSH-LBPRGKRZSA-N 1 2 386.315 2.426 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1OCC ZINC000459708411 650430505 /nfs/dbraw/zinc/43/05/05/650430505.db2.gz OXWMCUVZOQPNGQ-DZGCQCFKSA-N 1 2 386.286 2.198 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)cc1OCC ZINC000459708411 650430509 /nfs/dbraw/zinc/43/05/09/650430509.db2.gz OXWMCUVZOQPNGQ-DZGCQCFKSA-N 1 2 386.286 2.198 20 30 GEEDLO CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCn1cc[nH+]c1 ZINC000041775440 642532058 /nfs/dbraw/zinc/53/20/58/642532058.db2.gz GEMLNNAJGPDPDB-UHFFFAOYSA-N 1 2 393.241 2.111 20 30 GEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ccc(C#N)cc2Br)CC1 ZINC000119091476 643534888 /nfs/dbraw/zinc/53/48/88/643534888.db2.gz QRYDVZJPPDFDQX-UHFFFAOYSA-N 1 2 386.315 2.242 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000246751572 645492879 /nfs/dbraw/zinc/49/28/79/645492879.db2.gz QFTWDWGCTBFAMS-LSDHHAIUSA-N 1 2 377.428 2.284 20 30 GEEDLO C=CC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000246751572 645492881 /nfs/dbraw/zinc/49/28/81/645492881.db2.gz QFTWDWGCTBFAMS-LSDHHAIUSA-N 1 2 377.428 2.284 20 30 GEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@@H]1C ZINC000408040111 647920779 /nfs/dbraw/zinc/92/07/79/647920779.db2.gz CZEZIKZFGSBHRE-RYUDHWBXSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@@H]1C ZINC000408040111 647920789 /nfs/dbraw/zinc/92/07/89/647920789.db2.gz CZEZIKZFGSBHRE-RYUDHWBXSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416498387 648150067 /nfs/dbraw/zinc/15/00/67/648150067.db2.gz VHKGMRDRKSMJGR-AWEZNQCLSA-N 1 2 386.315 2.426 20 30 GEEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416498387 648150072 /nfs/dbraw/zinc/15/00/72/648150072.db2.gz VHKGMRDRKSMJGR-AWEZNQCLSA-N 1 2 386.315 2.426 20 30 GEEDLO C=CCSCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000552504109 651151108 /nfs/dbraw/zinc/15/11/08/651151108.db2.gz GZFBJCJZOIKDFR-HZPDHXFCSA-N 1 2 381.929 2.237 20 30 GEEDLO C=CCSCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000552504109 651151113 /nfs/dbraw/zinc/15/11/13/651151113.db2.gz GZFBJCJZOIKDFR-HZPDHXFCSA-N 1 2 381.929 2.237 20 30 GEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000563419614 651524476 /nfs/dbraw/zinc/52/44/76/651524476.db2.gz YCYLCKMVKYOZJZ-OAHLLOKOSA-N 1 2 383.901 2.087 20 30 GEEDLO CC#CC[C@H](CO)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000649185747 651820109 /nfs/dbraw/zinc/82/01/09/651820109.db2.gz KLEVBXPTSDEBAL-IAGOWNOFSA-N 1 2 379.298 2.477 20 30 GEEDLO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Br)c(F)cc1O ZINC000756704680 652504216 /nfs/dbraw/zinc/50/42/16/652504216.db2.gz KOKVTADZVWERAW-PCWSXBEYSA-N 1 2 398.232 2.471 20 30 GEEDLO NC(=[NH+]OCCn1cnc2ccccc2c1=O)c1ccc(Br)cc1 ZINC000764942593 652816544 /nfs/dbraw/zinc/81/65/44/652816544.db2.gz ZVBXLVCLLKBDGO-UHFFFAOYSA-N 1 2 387.237 2.496 20 30 GEEDLO C[N@H+](CC(=O)OCC(=O)Nc1ccccc1SCC#N)[C@H]1CCSC1 ZINC000772045310 653138006 /nfs/dbraw/zinc/13/80/06/653138006.db2.gz HPUBMDQGQFXAPG-ZDUSSCGKSA-N 1 2 379.507 2.221 20 30 GEEDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccccc1SCC#N)[C@H]1CCSC1 ZINC000772045310 653138010 /nfs/dbraw/zinc/13/80/10/653138010.db2.gz HPUBMDQGQFXAPG-ZDUSSCGKSA-N 1 2 379.507 2.221 20 30 GEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(Br)cc2Cl)nn1 ZINC000640896244 653144686 /nfs/dbraw/zinc/14/46/86/653144686.db2.gz VDNNGIWWEGFECF-UHFFFAOYSA-N 1 2 396.676 2.446 20 30 GEEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(OC)c(OC)c2Br)nn1 ZINC000640989018 653149214 /nfs/dbraw/zinc/14/92/14/653149214.db2.gz HPOSFYNOTDEXIY-UHFFFAOYSA-N 1 2 379.258 2.219 20 30 GEEDLO C=CCNc1ncc(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)s1 ZINC000641118987 653158879 /nfs/dbraw/zinc/15/88/79/653158879.db2.gz DALCIZGQFVURKE-UHFFFAOYSA-N 1 2 375.523 2.619 20 30 GEEDLO C#CCNC(=O)CN1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000769916313 653190316 /nfs/dbraw/zinc/19/03/16/653190316.db2.gz PVPDXVCPNMKGHK-GOSISDBHSA-N 1 2 390.325 2.194 20 30 GEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)C1CC1 ZINC000602880702 653211314 /nfs/dbraw/zinc/21/13/14/653211314.db2.gz IFRFGJUKLSOWSS-WMLDXEAASA-N 1 2 393.285 2.106 20 30 GEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1)C1CC1 ZINC000602880702 653211322 /nfs/dbraw/zinc/21/13/22/653211322.db2.gz IFRFGJUKLSOWSS-WMLDXEAASA-N 1 2 393.285 2.106 20 30 GEEDLO C#C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@@H]1CCCO1 ZINC000775572570 653317643 /nfs/dbraw/zinc/31/76/43/653317643.db2.gz SHLBBYZVYGTWQY-ZNMIVQPWSA-N 1 2 384.295 2.438 20 30 GEEDLO C=CCSc1ccccc1C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000777137701 653389906 /nfs/dbraw/zinc/38/99/06/653389906.db2.gz BUZHJDXIGPVTQX-UHFFFAOYSA-N 1 2 382.551 2.204 20 30 GEEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCN2CCOC2=O)CC1 ZINC000779597795 653510235 /nfs/dbraw/zinc/51/02/35/653510235.db2.gz WGFMPOUTPVWANM-INIZCTEOSA-N 1 2 393.285 2.084 20 30 GEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000838112277 653608737 /nfs/dbraw/zinc/60/87/37/653608737.db2.gz IRDIVCODLITYRB-CZUORRHYSA-N 1 2 380.286 2.143 20 30 GEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCO[C@H](C)C1)c1ccc(Br)cc1 ZINC000838112277 653608739 /nfs/dbraw/zinc/60/87/39/653608739.db2.gz IRDIVCODLITYRB-CZUORRHYSA-N 1 2 380.286 2.143 20 30 GEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000838112275 653609603 /nfs/dbraw/zinc/60/96/03/653609603.db2.gz IRDIVCODLITYRB-BBRMVZONSA-N 1 2 380.286 2.143 20 30 GEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000838112275 653609608 /nfs/dbraw/zinc/60/96/08/653609608.db2.gz IRDIVCODLITYRB-BBRMVZONSA-N 1 2 380.286 2.143 20 30 GEEDLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3cc(C#N)ccc3Br)C2)C1 ZINC000879489806 653670331 /nfs/dbraw/zinc/67/03/31/653670331.db2.gz MTNVXEIWQAHXFG-MRXNPFEDSA-N 1 2 378.226 2.215 20 30 GEEDLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cc(C#N)ccc3Br)C2)C1 ZINC000879489806 653670332 /nfs/dbraw/zinc/67/03/32/653670332.db2.gz MTNVXEIWQAHXFG-MRXNPFEDSA-N 1 2 378.226 2.215 20 30 GEEDLO C=CCOc1c(Cl)cc(CN2CC[NH+](CC[S@@](C)=O)CC2)cc1OC ZINC000862248612 653681816 /nfs/dbraw/zinc/68/18/16/653681816.db2.gz OCGQCISASNNFNB-RUZDIDTESA-N 1 2 386.945 2.410 20 30 GEEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000840761104 653693319 /nfs/dbraw/zinc/69/33/19/653693319.db2.gz QJERLTXZXNPOMX-VIFPVBQESA-N 1 2 376.182 2.082 20 30 GEEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000840761104 653693321 /nfs/dbraw/zinc/69/33/21/653693321.db2.gz QJERLTXZXNPOMX-VIFPVBQESA-N 1 2 376.182 2.082 20 30 GEEDLO O=S(=O)(Nc1nccs1)c1ccc(N=NC2C[N@H+]3C[C@@H]2CCC3)cc1 ZINC000863099964 653702188 /nfs/dbraw/zinc/70/21/88/653702188.db2.gz MBEOPTUTMXEPML-LBPRGKRZSA-N 1 2 377.495 2.437 20 30 GEEDLO O=C1Nc2ccc(F)c(Br)c2C1=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000863103889 653702220 /nfs/dbraw/zinc/70/22/20/653702220.db2.gz MZXCZUDMQFBJMJ-RKDXNWHRSA-N 1 2 380.221 2.104 20 30 GEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(Br)ccc3O)CC2)c1C#N ZINC000788269395 653753625 /nfs/dbraw/zinc/75/36/25/653753625.db2.gz MIGHVXMWBLHSEG-UHFFFAOYSA-N 1 2 390.285 2.391 20 30 GEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 ZINC000921437452 654267098 /nfs/dbraw/zinc/26/70/98/654267098.db2.gz XUUVEHCXMSBRLC-UHFFFAOYSA-N 1 2 381.807 2.130 20 30 GEEDLO Cc1ccc2c(c1Br)NC(=O)C2=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000853325175 654292599 /nfs/dbraw/zinc/29/25/99/654292599.db2.gz SRLHVKOQJXBPFP-GHMZBOCLSA-N 1 2 376.258 2.274 20 30 GEEDLO N#Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1Br ZINC000906845286 654478780 /nfs/dbraw/zinc/47/87/80/654478780.db2.gz WDEQKSBOLKMKCW-ZDUSSCGKSA-N 1 2 384.299 2.180 20 30 GEEDLO N#Cc1cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccc1Br ZINC000906845286 654478783 /nfs/dbraw/zinc/47/87/83/654478783.db2.gz WDEQKSBOLKMKCW-ZDUSSCGKSA-N 1 2 384.299 2.180 20 30 GEEDLO CCN1OC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932949687 654796303 /nfs/dbraw/zinc/79/63/03/654796303.db2.gz QALLAWATZVBPEA-GJMOJQLCSA-N 1 2 382.251 2.252 20 30 GEEDLO CCN1OC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932949687 654796308 /nfs/dbraw/zinc/79/63/08/654796308.db2.gz QALLAWATZVBPEA-GJMOJQLCSA-N 1 2 382.251 2.252 20 30 GEEDLO N#Cc1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164912176 721766582 /nfs/dbraw/zinc/76/65/82/721766582.db2.gz UVSOJFCITMTQNS-FQEVSTJZSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164912176 721766584 /nfs/dbraw/zinc/76/65/84/721766584.db2.gz UVSOJFCITMTQNS-FQEVSTJZSA-N 1 2 399.882 2.109 20 30 GEEDLO Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(C#N)c1 ZINC001164945721 721969833 /nfs/dbraw/zinc/96/98/33/721969833.db2.gz QZDLNXNBDPVGCN-UHFFFAOYSA-N 1 2 375.476 2.233 20 30 GEEDLO Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(C#N)c1 ZINC001164945721 721969836 /nfs/dbraw/zinc/96/98/36/721969836.db2.gz QZDLNXNBDPVGCN-UHFFFAOYSA-N 1 2 375.476 2.233 20 30 GEEDLO CSc1[nH]c(=O)c(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1C#N ZINC000151946004 531523040 /nfs/dbraw/zinc/52/30/40/531523040.db2.gz KSUZVWBRZGSABF-UHFFFAOYSA-N 1 2 376.507 2.234 20 30 GEEDLO C[C@@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H](C)O1 ZINC000156300974 531726835 /nfs/dbraw/zinc/72/68/35/531726835.db2.gz ZXJPCZPXTKMYJB-CHWSQXEVSA-N 1 2 385.917 2.378 20 30 GEEDLO C=CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)Cc1cccs1 ZINC000161238498 531827897 /nfs/dbraw/zinc/82/78/97/531827897.db2.gz SRQNMFYQPVUYPE-UHFFFAOYSA-N 1 2 379.507 2.331 20 30 GEEDLO C=CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)Cc1cccs1 ZINC000161238498 531827902 /nfs/dbraw/zinc/82/79/02/531827902.db2.gz SRQNMFYQPVUYPE-UHFFFAOYSA-N 1 2 379.507 2.331 20 30 GEEDLO CC(C)CNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120991982 532008484 /nfs/dbraw/zinc/00/84/84/532008484.db2.gz RDKKIXIMQOWEBV-KRWDZBQOSA-N 1 2 393.329 2.404 20 30 GEEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000121846775 532050225 /nfs/dbraw/zinc/05/02/25/532050225.db2.gz YJCOXXPTBKOAOS-ZDUSSCGKSA-N 1 2 379.302 2.357 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123649168 532104720 /nfs/dbraw/zinc/10/47/20/532104720.db2.gz YWVGYDBAJVIPFE-IAGOWNOFSA-N 1 2 380.535 2.318 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123649168 532104722 /nfs/dbraw/zinc/10/47/22/532104722.db2.gz YWVGYDBAJVIPFE-IAGOWNOFSA-N 1 2 380.535 2.318 20 30 GEEDLO Cc1cc(Br)cc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000124377430 532119758 /nfs/dbraw/zinc/11/97/58/532119758.db2.gz NBLJBWIIKILUEC-UHFFFAOYSA-N 1 2 380.286 2.446 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)CCc1ccc(Br)cc1 ZINC000176222943 532130517 /nfs/dbraw/zinc/13/05/17/532130517.db2.gz GGPGBWRXRCMEOK-UHFFFAOYSA-N 1 2 394.313 2.456 20 30 GEEDLO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134464711 532255645 /nfs/dbraw/zinc/25/56/45/532255645.db2.gz WYEHSDCUWCBQNB-JTQLQIEISA-N 1 2 376.404 2.353 20 30 GEEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134464711 532255651 /nfs/dbraw/zinc/25/56/51/532255651.db2.gz WYEHSDCUWCBQNB-JTQLQIEISA-N 1 2 376.404 2.353 20 30 GEEDLO CCN(CC)C(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000180922509 532285461 /nfs/dbraw/zinc/28/54/61/532285461.db2.gz WIYRVJWCHDWVPS-UHFFFAOYSA-N 1 2 393.329 2.307 20 30 GEEDLO N#C[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000135402826 532272898 /nfs/dbraw/zinc/27/28/98/532272898.db2.gz XKIBRCBRBIHCHI-HZPDHXFCSA-N 1 2 378.270 2.337 20 30 GEEDLO C[C@@H]1C[N@H+](C(C)(C)CNS(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H](C)O1 ZINC000186214430 532340132 /nfs/dbraw/zinc/34/01/32/532340132.db2.gz DMFDJFDIRJASTC-BETUJISGSA-N 1 2 385.917 2.378 20 30 GEEDLO C[C@@H]1C[N@@H+](C(C)(C)CNS(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H](C)O1 ZINC000186214430 532340133 /nfs/dbraw/zinc/34/01/33/532340133.db2.gz DMFDJFDIRJASTC-BETUJISGSA-N 1 2 385.917 2.378 20 30 GEEDLO C#CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000192227075 532396796 /nfs/dbraw/zinc/39/67/96/532396796.db2.gz UCLSXPGVNCELSN-CYBMUJFWSA-N 1 2 385.917 2.263 20 30 GEEDLO C#CC[N@H+](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000192227075 532396801 /nfs/dbraw/zinc/39/68/01/532396801.db2.gz UCLSXPGVNCELSN-CYBMUJFWSA-N 1 2 385.917 2.263 20 30 GEEDLO N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000592764636 532461944 /nfs/dbraw/zinc/46/19/44/532461944.db2.gz XOYQTKYUHRMACZ-UHFFFAOYSA-N 1 2 386.253 2.037 20 30 GEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593153750 532471809 /nfs/dbraw/zinc/47/18/09/532471809.db2.gz UNAMNTBUNHHDSV-GUYCJALGSA-N 1 2 392.297 2.185 20 30 GEEDLO CCOc1c(Br)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1OC ZINC000593155551 532472761 /nfs/dbraw/zinc/47/27/61/532472761.db2.gz AITGHMSVHQVJAY-MRXNPFEDSA-N 1 2 384.274 2.430 20 30 GEEDLO C=CC[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246308991 532537869 /nfs/dbraw/zinc/53/78/69/532537869.db2.gz XXMBZUWMFBPONE-QWHCGFSZSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246308991 532537873 /nfs/dbraw/zinc/53/78/73/532537873.db2.gz XXMBZUWMFBPONE-QWHCGFSZSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246251085 532534563 /nfs/dbraw/zinc/53/45/63/532534563.db2.gz LHVJBIZYZMXYTC-KBPBESRZSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000246251085 532534570 /nfs/dbraw/zinc/53/45/70/532534570.db2.gz LHVJBIZYZMXYTC-KBPBESRZSA-N 1 2 394.320 2.408 20 30 GEEDLO C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cscn1 ZINC000595668108 532569816 /nfs/dbraw/zinc/56/98/16/532569816.db2.gz LHLPHFQCFLXTDQ-DZGCQCFKSA-N 1 2 375.523 2.264 20 30 GEEDLO Cc1nn(C)c(N2CC[NH+](Cc3cc(O)ccc3Br)CC2)c1C#N ZINC000471803682 532560189 /nfs/dbraw/zinc/56/01/89/532560189.db2.gz JBJKWLCMVBLMMU-UHFFFAOYSA-N 1 2 390.285 2.391 20 30 GEEDLO C[C@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000284019706 532574076 /nfs/dbraw/zinc/57/40/76/532574076.db2.gz HZZKOYYXWOAYAF-FZMZJTMJSA-N 1 2 384.274 2.264 20 30 GEEDLO N#Cc1cnc2c(Br)cccc2c1NCCC[N@@H+]1CCNC(=O)C1 ZINC000440653212 532719028 /nfs/dbraw/zinc/71/90/28/532719028.db2.gz OTKFJUSOUHNWSM-UHFFFAOYSA-N 1 2 388.269 2.103 20 30 GEEDLO N#Cc1cnc2c(Br)cccc2c1NCCC[N@H+]1CCNC(=O)C1 ZINC000440653212 532719036 /nfs/dbraw/zinc/71/90/36/532719036.db2.gz OTKFJUSOUHNWSM-UHFFFAOYSA-N 1 2 388.269 2.103 20 30 GEEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3ccc(Br)c(F)c3)CC2)C1=O ZINC000410416504 532739930 /nfs/dbraw/zinc/73/99/30/532739930.db2.gz ZBZTUQYFWRROAF-QGZVFWFLSA-N 1 2 396.304 2.493 20 30 GEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000410423897 532741050 /nfs/dbraw/zinc/74/10/50/532741050.db2.gz ZZRRHPRISJGFOT-CQSZACIVSA-N 1 2 384.933 2.014 20 30 GEEDLO CCN(C[C@H](C)C#N)S(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000410423897 532741056 /nfs/dbraw/zinc/74/10/56/532741056.db2.gz ZZRRHPRISJGFOT-CQSZACIVSA-N 1 2 384.933 2.014 20 30 GEEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCOc2ccc(Br)cc2C1 ZINC000328755763 532796898 /nfs/dbraw/zinc/79/68/98/532796898.db2.gz TVIHWSKKILNLMM-ZDUSSCGKSA-N 1 2 398.301 2.278 20 30 GEEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000287441711 532795573 /nfs/dbraw/zinc/79/55/73/532795573.db2.gz UVGBFCCOXWYEIY-UHFFFAOYSA-N 1 2 392.297 2.392 20 30 GEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329587246 532808674 /nfs/dbraw/zinc/80/86/74/532808674.db2.gz RWVDEIYURYLWKD-VXGBXAGGSA-N 1 2 381.523 2.451 20 30 GEEDLO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000329587246 532808677 /nfs/dbraw/zinc/80/86/77/532808677.db2.gz RWVDEIYURYLWKD-VXGBXAGGSA-N 1 2 381.523 2.451 20 30 GEEDLO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@@H](C)S1(=O)=O ZINC000329597862 532809505 /nfs/dbraw/zinc/80/95/05/532809505.db2.gz CRCOHBBHLRVCRD-RBSFLKMASA-N 1 2 385.555 2.306 20 30 GEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(Br)cc(OC)cc1OC ZINC000272822570 532818329 /nfs/dbraw/zinc/81/83/29/532818329.db2.gz JEJBMRVCRRELJV-UHFFFAOYSA-N 1 2 378.288 2.157 20 30 GEEDLO CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328630462 212087343 /nfs/dbraw/zinc/08/73/43/212087343.db2.gz PWVQRSSUXOYGAW-HNNXBMFYSA-N 1 2 379.873 2.002 20 30 GEEDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@@H]1C ZINC000416457617 532877894 /nfs/dbraw/zinc/87/78/94/532877894.db2.gz XYCMJVAXMSKTHQ-NWDGAFQWSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@@H]1C ZINC000416457617 532877896 /nfs/dbraw/zinc/87/78/96/532877896.db2.gz XYCMJVAXMSKTHQ-NWDGAFQWSA-N 1 2 386.315 2.424 20 30 GEEDLO C=CC[N@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735417118 599443729 /nfs/dbraw/zinc/44/37/29/599443729.db2.gz ZCFOXXILGLDIJL-UHFFFAOYSA-N 1 2 395.492 2.439 20 30 GEEDLO C=CC[N@@H+](CC(=O)Nc1nc2c(s1)CCC2)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735417118 599443730 /nfs/dbraw/zinc/44/37/30/599443730.db2.gz ZCFOXXILGLDIJL-UHFFFAOYSA-N 1 2 395.492 2.439 20 30 GEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000822801726 607068959 /nfs/dbraw/zinc/06/89/59/607068959.db2.gz NFLHVPWSOAGIID-IBGZPJMESA-N 1 2 377.427 2.388 20 30 GEEDLO N#Cc1cccc([C@@H]2C[N@H+](CCOc3ccccc3-c3nn[nH]n3)CCO2)c1 ZINC000826386952 608070689 /nfs/dbraw/zinc/07/06/89/608070689.db2.gz ZJANSGSDCOBIIM-IBGZPJMESA-N 1 2 376.420 2.191 20 30 GEEDLO N#Cc1cccc([C@@H]2C[N@@H+](CCOc3ccccc3-c3nn[nH]n3)CCO2)c1 ZINC000826386952 608070690 /nfs/dbraw/zinc/07/06/90/608070690.db2.gz ZJANSGSDCOBIIM-IBGZPJMESA-N 1 2 376.420 2.191 20 30 GEEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](c2cccnc2)CC1=O ZINC000823915347 608235940 /nfs/dbraw/zinc/23/59/40/608235940.db2.gz VUHDNMGRWCTJDB-IBGZPJMESA-N 1 2 389.463 2.223 20 30 GEEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](c2cccnc2)CC1=O ZINC000823915347 608235941 /nfs/dbraw/zinc/23/59/41/608235941.db2.gz VUHDNMGRWCTJDB-IBGZPJMESA-N 1 2 389.463 2.223 20 30 GEEDLO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000826169879 608353714 /nfs/dbraw/zinc/35/37/14/608353714.db2.gz IOSOMPHUPUFQSN-UHFFFAOYSA-N 1 2 393.426 2.208 20 30 GEEDLO CC[N@@H+]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@H](C)C1 ZINC000451536765 650124027 /nfs/dbraw/zinc/12/40/27/650124027.db2.gz QJMORSRYSGWTLF-SNVBAGLBSA-N 1 2 390.278 2.175 20 30 GEEDLO CC[N@H+]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@H](C)C1 ZINC000451536765 650124028 /nfs/dbraw/zinc/12/40/28/650124028.db2.gz QJMORSRYSGWTLF-SNVBAGLBSA-N 1 2 390.278 2.175 20 30 GEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(C#N)c1Br ZINC000451689904 650133367 /nfs/dbraw/zinc/13/33/67/650133367.db2.gz KPUQUQVEJPMWGD-TZMCWYRMSA-N 1 2 378.270 2.256 20 30 GEEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000451968692 650158817 /nfs/dbraw/zinc/15/88/17/650158817.db2.gz JHEXHOBPUIJQSH-LBPRGKRZSA-N 1 2 386.315 2.426 20 30 GEEDLO N#Cc1cc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)ccc1F ZINC000488975376 650753125 /nfs/dbraw/zinc/75/31/25/650753125.db2.gz SQLAFIAFBRUGBC-UHFFFAOYSA-N 1 2 379.482 2.308 20 30 GEEDLO CN(CCC#N)S(=O)(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000042168979 642544895 /nfs/dbraw/zinc/54/48/95/642544895.db2.gz ZEARNYFOROEBBQ-OAHLLOKOSA-N 1 2 388.896 2.296 20 30 GEEDLO C[NH+]=C(NC[C@@H](OC)c1cccc(Cl)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158574564 644150034 /nfs/dbraw/zinc/15/00/34/644150034.db2.gz OIVIWDAGOBOLSG-OAHLLOKOSA-N 1 2 387.933 2.112 20 30 GEEDLO Cn1ncc(Br)c1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000278757717 646546302 /nfs/dbraw/zinc/54/63/02/646546302.db2.gz NPXHUEFKVJTMNI-OAHLLOKOSA-N 1 2 388.269 2.339 20 30 GEEDLO C[C@@H](CNC(=O)N1CCOc2ccc(Br)cc2C1)[NH+]1CCOCC1 ZINC000328759582 647312564 /nfs/dbraw/zinc/31/25/64/647312564.db2.gz WUYSMSPVVKKVKL-ZDUSSCGKSA-N 1 2 398.301 2.278 20 30 GEEDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Cn2cc(Br)ccc2=O)CCO1 ZINC000330323752 647331984 /nfs/dbraw/zinc/33/19/84/647331984.db2.gz HXAOZZBYZPCHMZ-JSGCOSHPSA-N 1 2 395.257 2.221 20 30 GEEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330379760 647333208 /nfs/dbraw/zinc/33/32/08/647333208.db2.gz TXSJHTJNCWUIME-HFBAOOFYSA-N 1 2 388.896 2.150 20 30 GEEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330379760 647333212 /nfs/dbraw/zinc/33/32/12/647333212.db2.gz TXSJHTJNCWUIME-HFBAOOFYSA-N 1 2 388.896 2.150 20 30 GEEDLO CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409476227 647963516 /nfs/dbraw/zinc/96/35/16/647963516.db2.gz RMCLNQWKCIUWBY-JKSUJKDBSA-N 1 2 388.896 2.294 20 30 GEEDLO CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000409476227 647963522 /nfs/dbraw/zinc/96/35/22/647963522.db2.gz RMCLNQWKCIUWBY-JKSUJKDBSA-N 1 2 388.896 2.294 20 30 GEEDLO CC#CC[N@H+](C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000555752033 651229262 /nfs/dbraw/zinc/22/92/62/651229262.db2.gz ZOKSTJPOSCOLAG-UHFFFAOYSA-N 1 2 384.343 2.110 20 30 GEEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000555752033 651229265 /nfs/dbraw/zinc/22/92/65/651229265.db2.gz ZOKSTJPOSCOLAG-UHFFFAOYSA-N 1 2 384.343 2.110 20 30 GEEDLO C[C@H](CNS(=O)(=O)c1cccc(Br)c1C#N)Cn1cc[nH+]c1 ZINC000563225096 651517584 /nfs/dbraw/zinc/51/75/84/651517584.db2.gz HFUVDKBXMFTMTN-LLVKDONJSA-N 1 2 383.271 2.132 20 30 GEEDLO C=C(Br)CNC(=O)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000729785863 651579291 /nfs/dbraw/zinc/57/92/91/651579291.db2.gz ADSVQGWWQODVDB-ZDUSSCGKSA-N 1 2 396.285 2.043 20 30 GEEDLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309424 651776596 /nfs/dbraw/zinc/77/65/96/651776596.db2.gz NJVVBFVBKYFYOZ-UHFFFAOYSA-N 1 2 385.917 2.488 20 30 GEEDLO C=CC[N@@H+](CCN1C(=O)CN(C)C1=O)Cc1cc(Br)ccc1F ZINC000659863982 652368510 /nfs/dbraw/zinc/36/85/10/652368510.db2.gz KIVFSFSPVSVHSK-UHFFFAOYSA-N 1 2 384.249 2.470 20 30 GEEDLO C=CC[N@H+](CCN1C(=O)CN(C)C1=O)Cc1cc(Br)ccc1F ZINC000659863982 652368513 /nfs/dbraw/zinc/36/85/13/652368513.db2.gz KIVFSFSPVSVHSK-UHFFFAOYSA-N 1 2 384.249 2.470 20 30 GEEDLO C#CCN(Cc1c[nH+]c2c(C)cc(Br)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000753537228 652410148 /nfs/dbraw/zinc/41/01/48/652410148.db2.gz RWNMFTZUFMLMHN-CQSZACIVSA-N 1 2 396.310 2.028 20 30 GEEDLO CC(C)(CNC(=O)Cc1ccc(Br)cc1C#N)[NH+]1CCOCC1 ZINC000593010709 652611633 /nfs/dbraw/zinc/61/16/33/652611633.db2.gz LSROSSOFQGZEEG-UHFFFAOYSA-N 1 2 380.286 2.090 20 30 GEEDLO CS(=O)(=O)[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)C[C@H]1C(F)(F)F ZINC000595626412 652736035 /nfs/dbraw/zinc/73/60/35/652736035.db2.gz NVDJRGAEYDNTGR-HUUCEWRRSA-N 1 2 376.400 2.234 20 30 GEEDLO CS(=O)(=O)[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)C[C@H]1C(F)(F)F ZINC000595626412 652736039 /nfs/dbraw/zinc/73/60/39/652736039.db2.gz NVDJRGAEYDNTGR-HUUCEWRRSA-N 1 2 376.400 2.234 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1I ZINC000771931453 653132767 /nfs/dbraw/zinc/13/27/67/653132767.db2.gz RPEQCVLEWMHTII-UHFFFAOYSA-N 1 2 399.276 2.339 20 30 GEEDLO C[N@H+](CC(=O)OCC(=O)Nc1ccccc1SCC#N)[C@@H]1CCSC1 ZINC000772045308 653138210 /nfs/dbraw/zinc/13/82/10/653138210.db2.gz HPUBMDQGQFXAPG-CYBMUJFWSA-N 1 2 379.507 2.221 20 30 GEEDLO C[N@@H+](CC(=O)OCC(=O)Nc1ccccc1SCC#N)[C@@H]1CCSC1 ZINC000772045308 653138213 /nfs/dbraw/zinc/13/82/13/653138213.db2.gz HPUBMDQGQFXAPG-CYBMUJFWSA-N 1 2 379.507 2.221 20 30 GEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)Cc2ccccc2Br)CC1 ZINC000772113822 653139905 /nfs/dbraw/zinc/13/99/05/653139905.db2.gz JDNJJCVABPBIAW-UHFFFAOYSA-N 1 2 378.266 2.449 20 30 GEEDLO C=CCN1C(=S)N=NC1Cc1csc(NC(=O)CCc2[nH]cc[nH+]2)n1 ZINC000806408907 653161814 /nfs/dbraw/zinc/16/18/14/653161814.db2.gz MDTVEDDXCKNMQE-UHFFFAOYSA-N 1 2 375.483 2.095 20 30 GEEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@H](C)N1CC#N ZINC000602859161 653210128 /nfs/dbraw/zinc/21/01/28/653210128.db2.gz DNMGMPWZFAESGJ-GASCZTMLSA-N 1 2 393.329 2.326 20 30 GEEDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@H](C)N1CC#N ZINC000602859161 653210140 /nfs/dbraw/zinc/21/01/40/653210140.db2.gz DNMGMPWZFAESGJ-GASCZTMLSA-N 1 2 393.329 2.326 20 30 GEEDLO C[C@H]1C[NH+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H](C)N1CC#N ZINC000602867608 653210843 /nfs/dbraw/zinc/21/08/43/653210843.db2.gz YTZRUZIYLYEGIE-STQMWFEESA-N 1 2 399.358 2.387 20 30 GEEDLO C#CCNC(=O)C1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000775587754 653317877 /nfs/dbraw/zinc/31/78/77/653317877.db2.gz ADMSUNDLZUIBNW-UHFFFAOYSA-N 1 2 375.270 2.287 20 30 GEEDLO C#C[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21)[C@H]1CCCO1 ZINC000775572568 653317882 /nfs/dbraw/zinc/31/78/82/653317882.db2.gz SHLBBYZVYGTWQY-RRFJBIMHSA-N 1 2 384.295 2.438 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc(Br)cc1OC ZINC000884318580 653871819 /nfs/dbraw/zinc/87/18/19/653871819.db2.gz ZRWAJXGFXBYUPI-MFKMUULPSA-N 1 2 385.258 2.082 20 30 GEEDLO CC(=NNCCCn1cc[nH+]c1)c1cc2c(cc1Br)NC(=O)CO2 ZINC000848417161 653974721 /nfs/dbraw/zinc/97/47/21/653974721.db2.gz MXFPXGBZCSDXAE-UHFFFAOYSA-N 1 2 392.257 2.380 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccccc2Cl)N(C[C@H]2CC[N@@H+]2C)C1=O ZINC000901523168 654129079 /nfs/dbraw/zinc/12/90/79/654129079.db2.gz VCENDPVEICEFCB-BXUZGUMPSA-N 1 2 380.901 2.112 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccccc2Cl)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000901523168 654129081 /nfs/dbraw/zinc/12/90/81/654129081.db2.gz VCENDPVEICEFCB-BXUZGUMPSA-N 1 2 380.901 2.112 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccc(Cl)cc2)N(C[C@H]2CC[N@@H+]2C)C1=O ZINC000901541915 654130123 /nfs/dbraw/zinc/13/01/23/654130123.db2.gz ZJKMYABEDKFUBO-ZIAGYGMSSA-N 1 2 380.901 2.112 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccc(Cl)cc2)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000901541915 654130127 /nfs/dbraw/zinc/13/01/27/654130127.db2.gz ZJKMYABEDKFUBO-ZIAGYGMSSA-N 1 2 380.901 2.112 20 30 GEEDLO C[N@@H+]1CC[C@@H]1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccsc1 ZINC000901755383 654147302 /nfs/dbraw/zinc/14/73/02/654147302.db2.gz RVPQDBABPPLTCB-ZIAGYGMSSA-N 1 2 378.523 2.052 20 30 GEEDLO C[N@H+]1CC[C@@H]1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccsc1 ZINC000901755383 654147308 /nfs/dbraw/zinc/14/73/08/654147308.db2.gz RVPQDBABPPLTCB-ZIAGYGMSSA-N 1 2 378.523 2.052 20 30 GEEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C)CC1 ZINC000800731381 654157224 /nfs/dbraw/zinc/15/72/24/654157224.db2.gz BBCPNQZWEJOXSP-UHFFFAOYSA-N 1 2 380.279 2.456 20 30 GEEDLO C=C(Br)CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000921112852 654236072 /nfs/dbraw/zinc/23/60/72/654236072.db2.gz IZHYVLQQTYKWFE-UHFFFAOYSA-N 1 2 381.274 2.104 20 30 GEEDLO N#Cc1ncc(Br)cc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000853228598 654287061 /nfs/dbraw/zinc/28/70/61/654287061.db2.gz MXXXNJQOOPYZNC-OAHLLOKOSA-N 1 2 383.315 2.336 20 30 GEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C1 ZINC000891606025 654302428 /nfs/dbraw/zinc/30/24/28/654302428.db2.gz JRBCAYNFTZAURQ-NSHDSACASA-N 1 2 384.263 2.154 20 30 GEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C1 ZINC000891606025 654302430 /nfs/dbraw/zinc/30/24/30/654302430.db2.gz JRBCAYNFTZAURQ-NSHDSACASA-N 1 2 384.263 2.154 20 30 GEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ncc(Br)cc3O)C2)nc1 ZINC000894585820 654488428 /nfs/dbraw/zinc/48/84/28/654488428.db2.gz QIKOIILRTVHAOD-CYBMUJFWSA-N 1 2 375.226 2.470 20 30 GEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ncc(Br)cc3O)C2)nc1 ZINC000894585820 654488432 /nfs/dbraw/zinc/48/84/32/654488432.db2.gz QIKOIILRTVHAOD-CYBMUJFWSA-N 1 2 375.226 2.470 20 30 GEEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000928646769 654654084 /nfs/dbraw/zinc/65/40/84/654654084.db2.gz MANWLGDMUKANRF-MRXNPFEDSA-N 1 2 380.286 2.090 20 30 GEEDLO C=CCN(Cc1cccs1)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931659008 654751372 /nfs/dbraw/zinc/75/13/72/654751372.db2.gz RMQKMHFCEGQGPY-UHFFFAOYSA-N 1 2 378.523 2.097 20 30 GEEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C#N)c2ccccc2n1 ZINC001164703086 719867983 /nfs/dbraw/zinc/86/79/83/719867983.db2.gz JTVGSEKZAIJPOP-JTSKRJEESA-N 1 2 394.475 2.339 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(CC#N)cc1Cl ZINC001164708038 719875021 /nfs/dbraw/zinc/87/50/21/719875021.db2.gz XHIWHWPEKHVISL-DNVCBOLYSA-N 1 2 392.887 2.034 20 30 GEEDLO Cc1cc(Br)cn2cc(CNC(=O)Nc3nn(C)cc3C#N)[nH+]c12 ZINC000612752061 531556616 /nfs/dbraw/zinc/55/66/16/531556616.db2.gz SYQVMLNDZNHSRT-UHFFFAOYSA-N 1 2 388.229 2.332 20 30 GEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000024372264 531601908 /nfs/dbraw/zinc/60/19/08/531601908.db2.gz UQJZDCOVCYJDEE-JTQLQIEISA-N 1 2 387.267 2.264 20 30 GEEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000024372264 531601913 /nfs/dbraw/zinc/60/19/13/531601913.db2.gz UQJZDCOVCYJDEE-JTQLQIEISA-N 1 2 387.267 2.264 20 30 GEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccco1 ZINC000155073869 531653318 /nfs/dbraw/zinc/65/33/18/531653318.db2.gz HJCRBMGGEJMVMH-CQSZACIVSA-N 1 2 398.282 2.495 20 30 GEEDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000159481702 531782908 /nfs/dbraw/zinc/78/29/08/531782908.db2.gz KQTIONNDZKUJBV-UHFFFAOYSA-N 1 2 385.917 2.191 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121161282 532014773 /nfs/dbraw/zinc/01/47/73/532014773.db2.gz NWKDSSRCHNKJPV-OLMNPRSZSA-N 1 2 387.929 2.454 20 30 GEEDLO C=CC[N@H+](C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121161282 532014781 /nfs/dbraw/zinc/01/47/81/532014781.db2.gz NWKDSSRCHNKJPV-OLMNPRSZSA-N 1 2 387.929 2.454 20 30 GEEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000179672872 532240729 /nfs/dbraw/zinc/24/07/29/532240729.db2.gz BYHWOSQRZLTLKO-QGZVFWFLSA-N 1 2 391.313 2.158 20 30 GEEDLO COc1nc(N2CC[NH+](CC#Cc3ccccc3)CC2)ncc1Br ZINC000192062520 532383039 /nfs/dbraw/zinc/38/30/39/532383039.db2.gz PCPRQAILZKPNHB-UHFFFAOYSA-N 1 2 387.281 2.421 20 30 GEEDLO N#Cc1cc(C[NH+]2CCOCC2)cn(Cc2ncc(Cl)cc2Cl)c1=O ZINC000517042410 532403328 /nfs/dbraw/zinc/40/33/28/532403328.db2.gz UGZJHPUPJRUJAS-UHFFFAOYSA-N 1 2 379.247 2.302 20 30 GEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCc3cc(Br)ccc3NC2=O)C1=O ZINC000625388632 532422563 /nfs/dbraw/zinc/42/25/63/532422563.db2.gz VGOXOSJYCGHXFK-HOTGVXAUSA-N 1 2 392.297 2.421 20 30 GEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCc3cc(Br)ccc3NC2=O)C1=O ZINC000625388632 532422567 /nfs/dbraw/zinc/42/25/67/532422567.db2.gz VGOXOSJYCGHXFK-HOTGVXAUSA-N 1 2 392.297 2.421 20 30 GEEDLO C[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000593457469 532483025 /nfs/dbraw/zinc/48/30/25/532483025.db2.gz YDQJJHXQTCYRQI-CHWSQXEVSA-N 1 2 380.286 2.089 20 30 GEEDLO N#Cc1cc(NC(=O)C(=O)NCc2cn3ccccc3[nH+]2)ccc1Br ZINC000520847632 532500354 /nfs/dbraw/zinc/50/03/54/532500354.db2.gz MENPLJUMOXMHRW-UHFFFAOYSA-N 1 2 398.220 2.223 20 30 GEEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)CCCC#N)c1ccc(Br)cc1 ZINC000595350452 532559073 /nfs/dbraw/zinc/55/90/73/532559073.db2.gz AMUFSOSFDWHZLM-AWEZNQCLSA-N 1 2 397.298 2.495 20 30 GEEDLO Cc1nn(C)c(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)c1Br ZINC000375692550 532575776 /nfs/dbraw/zinc/57/57/76/532575776.db2.gz MKSKOSAWESFLFH-UHFFFAOYSA-N 1 2 389.301 2.470 20 30 GEEDLO Cc1nn(C)c(C[N@H+]2CCCN(c3ncccc3C#N)CC2)c1Br ZINC000375692550 532575779 /nfs/dbraw/zinc/57/57/79/532575779.db2.gz MKSKOSAWESFLFH-UHFFFAOYSA-N 1 2 389.301 2.470 20 30 GEEDLO C[C@@]1(C2CC[NH+](Cc3ccc(Br)cc3C#N)CC2)NC(=O)NC1=O ZINC000376559427 532618421 /nfs/dbraw/zinc/61/84/21/532618421.db2.gz VOIZVSDAVPQDLK-KRWDZBQOSA-N 1 2 391.269 2.131 20 30 GEEDLO N#Cc1ccc(CS(=O)(=O)NC2CC[NH+](Cc3cscn3)CC2)cc1 ZINC000377381576 532656509 /nfs/dbraw/zinc/65/65/09/532656509.db2.gz JALJYJHGXOHNLI-UHFFFAOYSA-N 1 2 376.507 2.099 20 30 GEEDLO C#Cc1cccc(NC(=O)CNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000301179549 532743868 /nfs/dbraw/zinc/74/38/68/532743868.db2.gz YOBKDLGGHZLGRW-UHFFFAOYSA-N 1 2 385.225 2.158 20 30 GEEDLO N#Cc1c(Cl)nsc1NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000301514386 532753903 /nfs/dbraw/zinc/75/39/03/532753903.db2.gz CEPUIKHSTFUUNV-UHFFFAOYSA-N 1 2 376.873 2.214 20 30 GEEDLO C[C@@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)S1 ZINC000269760784 532790765 /nfs/dbraw/zinc/79/07/65/532790765.db2.gz CCCRFYHXYPOSMH-LLVKDONJSA-N 1 2 384.914 2.009 20 30 GEEDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000329621460 532809068 /nfs/dbraw/zinc/80/90/68/532809068.db2.gz UKYCSUXDUCFVEF-UHFFFAOYSA-N 1 2 385.452 2.078 20 30 GEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@H]21 ZINC000329811862 532812390 /nfs/dbraw/zinc/81/23/90/532812390.db2.gz RTOVFBVXWTYVJO-HZPDHXFCSA-N 1 2 393.285 2.359 20 30 GEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@H]21 ZINC000329811862 532812391 /nfs/dbraw/zinc/81/23/91/532812391.db2.gz RTOVFBVXWTYVJO-HZPDHXFCSA-N 1 2 393.285 2.359 20 30 GEEDLO C[C@@H](C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)S(=O)(=O)C1CCOCC1 ZINC000330026148 532813895 /nfs/dbraw/zinc/81/38/95/532813895.db2.gz BHZSIPUESJDHRU-NSHDSACASA-N 1 2 385.873 2.427 20 30 GEEDLO C[N@H+](CCC#N)C[C@H](O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000414103572 532819455 /nfs/dbraw/zinc/81/94/55/532819455.db2.gz XHCSXSADCVHCDZ-ZDUSSCGKSA-N 1 2 381.889 2.336 20 30 GEEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000414103572 532819457 /nfs/dbraw/zinc/81/94/57/532819457.db2.gz XHCSXSADCVHCDZ-ZDUSSCGKSA-N 1 2 381.889 2.336 20 30 GEEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000330512507 532820805 /nfs/dbraw/zinc/82/08/05/532820805.db2.gz SFHZKVVMJNOYDA-CQSZACIVSA-N 1 2 379.302 2.332 20 30 GEEDLO C=CCCN(C)C(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000288474121 532828623 /nfs/dbraw/zinc/82/86/23/532828623.db2.gz FWYFLXMZCURAKV-UHFFFAOYSA-N 1 2 379.258 2.056 20 30 GEEDLO Cc1oc(NC(=O)C[N@H+](C)CCn2cc(Br)cn2)c(C#N)c1C ZINC000288885519 532841182 /nfs/dbraw/zinc/84/11/82/532841182.db2.gz RKSAEGZXURJNHY-UHFFFAOYSA-N 1 2 380.246 2.298 20 30 GEEDLO Cc1oc(NC(=O)C[N@@H+](C)CCn2cc(Br)cn2)c(C#N)c1C ZINC000288885519 532841185 /nfs/dbraw/zinc/84/11/85/532841185.db2.gz RKSAEGZXURJNHY-UHFFFAOYSA-N 1 2 380.246 2.298 20 30 GEEDLO N#Cc1c(Br)cccc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000276277883 532892308 /nfs/dbraw/zinc/89/23/08/532892308.db2.gz OQXAQVXSRABPJV-UHFFFAOYSA-N 1 2 377.286 2.065 20 30 GEEDLO Cc1cc(C[NH+]2CCC(N(C)S(=O)(=O)c3ccc(C#N)s3)CC2)on1 ZINC000366644387 532919547 /nfs/dbraw/zinc/91/95/47/532919547.db2.gz GRZQFKJIYBCPTG-UHFFFAOYSA-N 1 2 380.495 2.201 20 30 GEEDLO N#C[C@@H]1CC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1 ZINC000293432484 532926868 /nfs/dbraw/zinc/92/68/68/532926868.db2.gz JJFGJCCPGJJOMN-UKRRQHHQSA-N 1 2 398.326 2.448 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cccc(F)c1Br ZINC000293346333 532925627 /nfs/dbraw/zinc/92/56/27/532925627.db2.gz HLFHHDCXFUKSAF-UHFFFAOYSA-N 1 2 384.249 2.276 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000369173014 532937315 /nfs/dbraw/zinc/93/73/15/532937315.db2.gz DDCUSYUSWJPZPT-HNNXBMFYSA-N 1 2 380.857 2.069 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1OCC ZINC000370396191 532943231 /nfs/dbraw/zinc/94/32/31/532943231.db2.gz KUEYRQHVKMENGW-UONOGXRCSA-N 1 2 386.286 2.340 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1OCC ZINC000370396191 532943232 /nfs/dbraw/zinc/94/32/32/532943232.db2.gz KUEYRQHVKMENGW-UONOGXRCSA-N 1 2 386.286 2.340 20 30 GEEDLO COc1cc(-c2nn[nH]n2)ccc1OCCO[NH+]=C(N)c1ccc(F)c(C)c1 ZINC000737032048 598979242 /nfs/dbraw/zinc/97/92/42/598979242.db2.gz HDOMCIOSJLFULD-UHFFFAOYSA-N 1 2 386.387 2.039 20 30 GEEDLO N#Cc1ccnc(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)c1 ZINC000737726988 599265099 /nfs/dbraw/zinc/26/50/99/599265099.db2.gz AHTUWELUCHTWET-UHFFFAOYSA-N 1 2 383.419 2.008 20 30 GEEDLO CCCN(Cc1ccc(-c2nn[nH]n2)cc1)c1[nH+]cnc2c1cnn2CCC#N ZINC000821109327 607305186 /nfs/dbraw/zinc/30/51/86/607305186.db2.gz HTCFDYIAXLDLTO-UHFFFAOYSA-N 1 2 388.439 2.337 20 30 GEEDLO N#Cc1ccccc1OCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000737728111 598256769 /nfs/dbraw/zinc/25/67/69/598256769.db2.gz XRXVCBWOVUOGSP-UHFFFAOYSA-N 1 2 393.426 2.078 20 30 GEEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1cccc(F)c1 ZINC000819697831 606075453 /nfs/dbraw/zinc/07/54/53/606075453.db2.gz LYFGCDGKZDEGMQ-UHFFFAOYSA-N 1 2 395.442 2.307 20 30 GEEDLO C#CC[N@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1-c1cccc(F)c1 ZINC000819697831 606075458 /nfs/dbraw/zinc/07/54/58/606075458.db2.gz LYFGCDGKZDEGMQ-UHFFFAOYSA-N 1 2 395.442 2.307 20 30 GEEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821613682 606315496 /nfs/dbraw/zinc/31/54/96/606315496.db2.gz YOYWJGPMSNWGES-OAHLLOKOSA-N 1 2 379.449 2.037 20 30 GEEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000821613682 606315498 /nfs/dbraw/zinc/31/54/98/606315498.db2.gz YOYWJGPMSNWGES-OAHLLOKOSA-N 1 2 379.449 2.037 20 30 GEEDLO CC(C)c1nn(C)c(N2CCOCC2)c1C=[NH+]Nc1ccc(-c2nn[nH]n2)cc1 ZINC000824364491 607886098 /nfs/dbraw/zinc/88/60/98/607886098.db2.gz IWFOGUAYWWYANE-UHFFFAOYSA-N 1 2 395.471 2.006 20 30 GEEDLO Cc1nn(-c2cc[nH+]cc2)cc1CN=Nc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000826332678 609468190 /nfs/dbraw/zinc/46/81/90/609468190.db2.gz CGKCJMPWCDCDQD-UHFFFAOYSA-N 1 2 378.400 2.313 20 30 GEEDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000451927063 650154296 /nfs/dbraw/zinc/15/42/96/650154296.db2.gz AGYZZHFTIVQUSZ-AWEZNQCLSA-N 1 2 386.315 2.426 20 30 GEEDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000451927063 650154299 /nfs/dbraw/zinc/15/42/99/650154299.db2.gz AGYZZHFTIVQUSZ-AWEZNQCLSA-N 1 2 386.315 2.426 20 30 GEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000514623763 650575236 /nfs/dbraw/zinc/57/52/36/650575236.db2.gz ZWVYLEJINZWZMZ-ZDUSSCGKSA-N 1 2 391.313 2.105 20 30 GEEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000096970395 643092159 /nfs/dbraw/zinc/09/21/59/643092159.db2.gz RQNNYCDQURWIKR-UHFFFAOYSA-N 1 2 386.315 2.449 20 30 GEEDLO C=CC[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000108871203 643284306 /nfs/dbraw/zinc/28/43/06/643284306.db2.gz YDXVYFXTYUZRQD-ZIAGYGMSSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000108871203 643284313 /nfs/dbraw/zinc/28/43/13/643284313.db2.gz YDXVYFXTYUZRQD-ZIAGYGMSSA-N 1 2 394.320 2.408 20 30 GEEDLO N#Cc1ccc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)cc1Br ZINC000499415970 650883470 /nfs/dbraw/zinc/88/34/70/650883470.db2.gz FUZFMQGDENVGKC-UHFFFAOYSA-N 1 2 398.220 2.223 20 30 GEEDLO C#CCNC(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000198325937 645382716 /nfs/dbraw/zinc/38/27/16/645382716.db2.gz NMNIKVKQXQEOKA-LBPRGKRZSA-N 1 2 377.901 2.385 20 30 GEEDLO C#CCNC(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(Cl)cc1 ZINC000198325946 645382953 /nfs/dbraw/zinc/38/29/53/645382953.db2.gz NMNIKVKQXQEOKA-GFCCVEGCSA-N 1 2 377.901 2.385 20 30 GEEDLO C=CCS(=O)(=O)CCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000272855628 646290250 /nfs/dbraw/zinc/29/02/50/646290250.db2.gz QZSJIDFIOBBHKY-ZDUSSCGKSA-N 1 2 386.543 2.097 20 30 GEEDLO C=CCS(=O)(=O)CCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000272855628 646290254 /nfs/dbraw/zinc/29/02/54/646290254.db2.gz QZSJIDFIOBBHKY-ZDUSSCGKSA-N 1 2 386.543 2.097 20 30 GEEDLO C[C@@H](CNC(=O)Nc1ccc(I)cc1)[NH+]1CCOCC1 ZINC000330394703 647334683 /nfs/dbraw/zinc/33/46/83/647334683.db2.gz DGERBIIIJATEHG-NSHDSACASA-N 1 2 389.237 2.338 20 30 GEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330395520 647334764 /nfs/dbraw/zinc/33/47/64/647334764.db2.gz AKDVFJRMGMIWJA-XFBWCDHKSA-N 1 2 388.896 2.293 20 30 GEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000330395520 647334769 /nfs/dbraw/zinc/33/47/69/647334769.db2.gz AKDVFJRMGMIWJA-XFBWCDHKSA-N 1 2 388.896 2.293 20 30 GEEDLO C=CCNC(=O)C[NH+]1CCN(c2nccc3cc(Br)ccc32)CC1 ZINC000413027999 648057842 /nfs/dbraw/zinc/05/78/42/648057842.db2.gz AFWOYLMUVQHMSO-UHFFFAOYSA-N 1 2 389.297 2.422 20 30 GEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000416444700 648126524 /nfs/dbraw/zinc/12/65/24/648126524.db2.gz ZCSREFGSMQCFKD-GFCCVEGCSA-N 1 2 395.282 2.232 20 30 GEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000562048549 651486982 /nfs/dbraw/zinc/48/69/82/651486982.db2.gz HSGQTENRTLEQOK-DLBZAZTESA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)[C@H]1c1ccc(Cl)cc1 ZINC000562048549 651486985 /nfs/dbraw/zinc/48/69/85/651486985.db2.gz HSGQTENRTLEQOK-DLBZAZTESA-N 1 2 376.869 2.330 20 30 GEEDLO C=C(Br)C[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl ZINC000729681574 651574516 /nfs/dbraw/zinc/57/45/16/651574516.db2.gz GEGWSWGMUAYYLY-JTQLQIEISA-N 1 2 382.711 2.203 20 30 GEEDLO N#Cc1ccc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000750395451 652292239 /nfs/dbraw/zinc/29/22/39/652292239.db2.gz PCXMASFFHSQDDH-UHFFFAOYSA-N 1 2 375.475 2.182 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000583605832 652491402 /nfs/dbraw/zinc/49/14/02/652491402.db2.gz QQDHCZQKSPOGJD-NSHDSACASA-N 1 2 375.226 2.027 20 30 GEEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593451729 652621776 /nfs/dbraw/zinc/62/17/76/652621776.db2.gz VNDSKDXWPQZGFJ-UHFFFAOYSA-N 1 2 380.286 2.090 20 30 GEEDLO CC1(C)COCC[N@H+]1CCNC(=O)Cc1ccc(Br)cc1C#N ZINC000593451729 652621778 /nfs/dbraw/zinc/62/17/78/652621778.db2.gz VNDSKDXWPQZGFJ-UHFFFAOYSA-N 1 2 380.286 2.090 20 30 GEEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@@H](C)c2ccc(Br)cc2)nn1 ZINC000640847990 653142102 /nfs/dbraw/zinc/14/21/02/653142102.db2.gz PDHXSZXFOWRGPY-ZDUSSCGKSA-N 1 2 390.285 2.031 20 30 GEEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 ZINC000641103404 653156237 /nfs/dbraw/zinc/15/62/37/653156237.db2.gz BXBKWXSMWYXARC-MRXNPFEDSA-N 1 2 388.269 2.132 20 30 GEEDLO CC#CC[NH2+]Cc1cn([C@H]2CCc3cc(Br)ccc3NC2=O)nn1 ZINC000641164858 653164516 /nfs/dbraw/zinc/16/45/16/653164516.db2.gz SGKKGRJNHALQTB-INIZCTEOSA-N 1 2 388.269 2.280 20 30 GEEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000602866051 653210773 /nfs/dbraw/zinc/21/07/73/653210773.db2.gz YAHAUVWTBUKDFE-GFCCVEGCSA-N 1 2 385.331 2.047 20 30 GEEDLO C#C[C@H](NC(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000836221779 653339170 /nfs/dbraw/zinc/33/91/70/653339170.db2.gz OQTBEJPLVQRPKY-CJNGLKHVSA-N 1 2 380.286 2.143 20 30 GEEDLO C=C[C@@](C)(O)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000811378370 653387869 /nfs/dbraw/zinc/38/78/69/653387869.db2.gz LUFQAKWZAUSVBI-QGZVFWFLSA-N 1 2 382.302 2.467 20 30 GEEDLO O=S(=O)(NC1CC1)c1ccc(NNC2=C[C@H](C(F)(F)F)OCC2)[nH+]c1 ZINC000814800040 653639713 /nfs/dbraw/zinc/63/97/13/653639713.db2.gz WIGRIAOZENNKTK-GFCCVEGCSA-N 1 2 378.376 2.032 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000815186145 653654513 /nfs/dbraw/zinc/65/45/13/653654513.db2.gz QKMZQISHIVDIIT-UHFFFAOYSA-N 1 2 387.281 2.416 20 30 GEEDLO COC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000879483727 653670081 /nfs/dbraw/zinc/67/00/81/653670081.db2.gz LIAGGNBTPUEPRC-MRXNPFEDSA-N 1 2 378.226 2.215 20 30 GEEDLO COC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3Br)C2)C1 ZINC000879483727 653670082 /nfs/dbraw/zinc/67/00/82/653670082.db2.gz LIAGGNBTPUEPRC-MRXNPFEDSA-N 1 2 378.226 2.215 20 30 GEEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2c(Br)cccc2C#N)CC1 ZINC000865531575 653767837 /nfs/dbraw/zinc/76/78/37/653767837.db2.gz PSXSHLUSPWBRGF-UHFFFAOYSA-N 1 2 386.315 2.242 20 30 GEEDLO C=C(Cl)C[C@@H](NS(=O)(=O)c1cccc2c1CC[N@H+](C)C2)C(=O)OCC ZINC000882470841 653783435 /nfs/dbraw/zinc/78/34/35/653783435.db2.gz AWZSWUFEUGGAPO-OAHLLOKOSA-N 1 2 386.901 2.027 20 30 GEEDLO C=C(Cl)C[C@@H](NS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2)C(=O)OCC ZINC000882470841 653783438 /nfs/dbraw/zinc/78/34/38/653783438.db2.gz AWZSWUFEUGGAPO-OAHLLOKOSA-N 1 2 386.901 2.027 20 30 GEEDLO C#C[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000848492895 653981380 /nfs/dbraw/zinc/98/13/80/653981380.db2.gz HNMWYTKZKNVDGU-LBPRGKRZSA-N 1 2 390.237 2.047 20 30 GEEDLO C#C[C@H]1CCC[N@H+](CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000848492895 653981384 /nfs/dbraw/zinc/98/13/84/653981384.db2.gz HNMWYTKZKNVDGU-LBPRGKRZSA-N 1 2 390.237 2.047 20 30 GEEDLO CC(C)(CNC(=O)COc1ccc(C#N)c(Br)c1)n1cc[nH+]c1 ZINC000898908810 653991918 /nfs/dbraw/zinc/99/19/18/653991918.db2.gz AZYHDMRPHOJDFE-UHFFFAOYSA-N 1 2 377.242 2.448 20 30 GEEDLO C#CCC[C@H](O)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000798454605 654063878 /nfs/dbraw/zinc/06/38/78/654063878.db2.gz NVRJVSSEPFTYLV-HNNXBMFYSA-N 1 2 393.285 2.021 20 30 GEEDLO N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900576622 654070763 /nfs/dbraw/zinc/07/07/63/654070763.db2.gz FSEZQWAQIIUKJH-MRXNPFEDSA-N 1 2 388.269 2.124 20 30 GEEDLO C[C@@H](C#N)OCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000801914756 654212236 /nfs/dbraw/zinc/21/22/36/654212236.db2.gz GCEHBZACHIVFDC-LBPRGKRZSA-N 1 2 377.919 2.027 20 30 GEEDLO C[C@@H](C#N)OCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000801914756 654212240 /nfs/dbraw/zinc/21/22/40/654212240.db2.gz GCEHBZACHIVFDC-LBPRGKRZSA-N 1 2 377.919 2.027 20 30 GEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000921437821 654267710 /nfs/dbraw/zinc/26/77/10/654267710.db2.gz HRVAADPKNPTJHZ-UHFFFAOYSA-N 1 2 391.718 2.478 20 30 GEEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C1 ZINC000891606024 654302566 /nfs/dbraw/zinc/30/25/66/654302566.db2.gz JRBCAYNFTZAURQ-LLVKDONJSA-N 1 2 384.263 2.154 20 30 GEEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)C1 ZINC000891606024 654302571 /nfs/dbraw/zinc/30/25/71/654302571.db2.gz JRBCAYNFTZAURQ-LLVKDONJSA-N 1 2 384.263 2.154 20 30 GEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 ZINC000907073020 654507386 /nfs/dbraw/zinc/50/73/86/654507386.db2.gz GMJFIKDNSDZEHQ-LLVKDONJSA-N 1 2 395.282 2.232 20 30 GEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2c(O)cccc2OC(F)(F)F)CC1 ZINC000914071119 654824663 /nfs/dbraw/zinc/82/46/63/654824663.db2.gz GDHISJXIOWQUOD-UHFFFAOYSA-N 1 2 380.388 2.220 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000154756968 531631929 /nfs/dbraw/zinc/63/19/29/531631929.db2.gz OTTPRVCYJZVRFP-UHFFFAOYSA-N 1 2 397.273 2.405 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1cc(Cl)cc(Cl)c1 ZINC000172937409 531975951 /nfs/dbraw/zinc/97/59/51/531975951.db2.gz QSIYMXIDHQVNND-UHFFFAOYSA-N 1 2 386.279 2.447 20 30 GEEDLO C=CC[N@@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121163867 532017331 /nfs/dbraw/zinc/01/73/31/532017331.db2.gz AEDROVVGWPZCIW-CVEARBPZSA-N 1 2 377.428 2.284 20 30 GEEDLO C=CC[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121163867 532017334 /nfs/dbraw/zinc/01/73/34/532017334.db2.gz AEDROVVGWPZCIW-CVEARBPZSA-N 1 2 377.428 2.284 20 30 GEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000121830730 532047962 /nfs/dbraw/zinc/04/79/62/532047962.db2.gz LSIJKDTVFGDCNC-GFCCVEGCSA-N 1 2 377.286 2.110 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000176218195 532130399 /nfs/dbraw/zinc/13/03/99/532130399.db2.gz ZOSGJOWZOGRGJP-UHFFFAOYSA-N 1 2 376.507 2.001 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000176218195 532130404 /nfs/dbraw/zinc/13/04/04/532130404.db2.gz ZOSGJOWZOGRGJP-UHFFFAOYSA-N 1 2 376.507 2.001 20 30 GEEDLO Cc1nc(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)ccc1Br ZINC000128709170 532166835 /nfs/dbraw/zinc/16/68/35/532166835.db2.gz PITAIBYPFIJVJZ-UHFFFAOYSA-N 1 2 396.289 2.232 20 30 GEEDLO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191349199 532360668 /nfs/dbraw/zinc/36/06/68/532360668.db2.gz VGIYFGDRCQFHED-ZDUSSCGKSA-N 1 2 397.313 2.169 20 30 GEEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191349199 532360669 /nfs/dbraw/zinc/36/06/69/532360669.db2.gz VGIYFGDRCQFHED-ZDUSSCGKSA-N 1 2 397.313 2.169 20 30 GEEDLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000516089833 532377340 /nfs/dbraw/zinc/37/73/40/532377340.db2.gz ZMMQFRRCTWXJDH-ZDUSSCGKSA-N 1 2 383.901 2.085 20 30 GEEDLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000516089833 532377344 /nfs/dbraw/zinc/37/73/44/532377344.db2.gz ZMMQFRRCTWXJDH-ZDUSSCGKSA-N 1 2 383.901 2.085 20 30 GEEDLO COc1cc(N2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)ncn1 ZINC000191838749 532370202 /nfs/dbraw/zinc/37/02/02/532370202.db2.gz QDBRCKLLSDGJBM-UHFFFAOYSA-N 1 2 388.269 2.442 20 30 GEEDLO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000590616302 532378747 /nfs/dbraw/zinc/37/87/47/532378747.db2.gz CILCCPJPGCXQCD-OAHLLOKOSA-N 1 2 378.270 2.258 20 30 GEEDLO C#CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000192227080 532396825 /nfs/dbraw/zinc/39/68/25/532396825.db2.gz UCLSXPGVNCELSN-ZDUSSCGKSA-N 1 2 385.917 2.263 20 30 GEEDLO C#CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl ZINC000192227080 532396828 /nfs/dbraw/zinc/39/68/28/532396828.db2.gz UCLSXPGVNCELSN-ZDUSSCGKSA-N 1 2 385.917 2.263 20 30 GEEDLO C[N@H+](CCC#N)C[C@H](O)CNCc1c(F)c(F)c(Br)c(F)c1F ZINC000591771348 532423274 /nfs/dbraw/zinc/42/32/74/532423274.db2.gz PDSLLFOZNZORRN-MRVPVSSYSA-N 1 2 398.198 2.301 20 30 GEEDLO C[N@@H+](CCC#N)C[C@H](O)CNCc1c(F)c(F)c(Br)c(F)c1F ZINC000591771348 532423279 /nfs/dbraw/zinc/42/32/79/532423279.db2.gz PDSLLFOZNZORRN-MRVPVSSYSA-N 1 2 398.198 2.301 20 30 GEEDLO COCCOCC[NH+]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000593885826 532501414 /nfs/dbraw/zinc/50/14/14/532501414.db2.gz BLOWRLAGTYERER-UHFFFAOYSA-N 1 2 386.279 2.286 20 30 GEEDLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000594794489 532530859 /nfs/dbraw/zinc/53/08/59/532530859.db2.gz KJXRSBLDPYAKGA-ZDUSSCGKSA-N 1 2 383.901 2.085 20 30 GEEDLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000594794489 532530863 /nfs/dbraw/zinc/53/08/63/532530863.db2.gz KJXRSBLDPYAKGA-ZDUSSCGKSA-N 1 2 383.901 2.085 20 30 GEEDLO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ncc(Br)cn1 ZINC000432997528 532551892 /nfs/dbraw/zinc/55/18/92/532551892.db2.gz MFQPHXXWIZQOMV-NSHDSACASA-N 1 2 395.282 2.235 20 30 GEEDLO C[C@@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000284019700 532573996 /nfs/dbraw/zinc/57/39/96/532573996.db2.gz HZZKOYYXWOAYAF-BXUZGUMPSA-N 1 2 384.274 2.264 20 30 GEEDLO CC[N@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)C#N ZINC000595811260 532574335 /nfs/dbraw/zinc/57/43/35/532574335.db2.gz AESIPTRAZDFITI-LBPRGKRZSA-N 1 2 386.905 2.153 20 30 GEEDLO CC[N@@H+](CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl)[C@@H](C)C#N ZINC000595811260 532574339 /nfs/dbraw/zinc/57/43/39/532574339.db2.gz AESIPTRAZDFITI-LBPRGKRZSA-N 1 2 386.905 2.153 20 30 GEEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000376741501 532627066 /nfs/dbraw/zinc/62/70/66/532627066.db2.gz IEMMLGOTLFPHIP-HNNXBMFYSA-N 1 2 380.857 2.069 20 30 GEEDLO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2n[nH]cc2Br)c(OC)c1 ZINC000567464287 532653882 /nfs/dbraw/zinc/65/38/82/532653882.db2.gz MLGHBWPFOBBVPX-CYBMUJFWSA-N 1 2 396.285 2.439 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285395794 532677772 /nfs/dbraw/zinc/67/77/72/532677772.db2.gz CHHBITQQFXZKMS-HNNXBMFYSA-N 1 2 376.400 2.111 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285395794 532677778 /nfs/dbraw/zinc/67/77/78/532677778.db2.gz CHHBITQQFXZKMS-HNNXBMFYSA-N 1 2 376.400 2.111 20 30 GEEDLO C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)C[C@H]1[NH+]1CCOCC1 ZINC000408453490 532719148 /nfs/dbraw/zinc/71/91/48/532719148.db2.gz RBNJFNIRDBHXFT-IUODEOHRSA-N 1 2 378.270 2.113 20 30 GEEDLO N#Cc1cc(Br)ccc1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000287272539 532788772 /nfs/dbraw/zinc/78/87/72/532788772.db2.gz LIOFFEVDMICEQZ-UHFFFAOYSA-N 1 2 391.313 2.061 20 30 GEEDLO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@H]21 ZINC000287054892 532781169 /nfs/dbraw/zinc/78/11/69/532781169.db2.gz AKRKCLXUEYSQFG-CABCVRRESA-N 1 2 379.258 2.258 20 30 GEEDLO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C[C@H]21 ZINC000287054892 532781174 /nfs/dbraw/zinc/78/11/74/532781174.db2.gz AKRKCLXUEYSQFG-CABCVRRESA-N 1 2 379.258 2.258 20 30 GEEDLO COc1cc(Br)c(CN(CCC#N)CC[NH+]2CCOCC2)cc1O ZINC000272259384 532813950 /nfs/dbraw/zinc/81/39/50/532813950.db2.gz JWDGFJXVXJSLEX-UHFFFAOYSA-N 1 2 398.301 2.211 20 30 GEEDLO COc1ccccc1Nc1nnc(SC[C@H](O)C[N@H+](C)CCC#N)s1 ZINC000414104383 532819085 /nfs/dbraw/zinc/81/90/85/532819085.db2.gz YUOKHRSFGRYPPH-GFCCVEGCSA-N 1 2 379.511 2.589 20 30 GEEDLO COc1ccccc1Nc1nnc(SC[C@H](O)C[N@@H+](C)CCC#N)s1 ZINC000414104383 532819086 /nfs/dbraw/zinc/81/90/86/532819086.db2.gz YUOKHRSFGRYPPH-GFCCVEGCSA-N 1 2 379.511 2.589 20 30 GEEDLO C=CC[C@@H](CO)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273268843 532821826 /nfs/dbraw/zinc/82/18/26/532821826.db2.gz JMFKWYPIMKGVEK-AWEZNQCLSA-N 1 2 381.274 2.184 20 30 GEEDLO NC(COc1ccc(Cl)cc1Cl)=[NH+]OCC1CCS(=O)(=O)CC1 ZINC000273611563 532828170 /nfs/dbraw/zinc/82/81/70/532828170.db2.gz MAFUKDJAXQDLOO-UHFFFAOYSA-N 1 2 381.281 2.486 20 30 GEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@H]1C ZINC000416457616 532878274 /nfs/dbraw/zinc/87/82/74/532878274.db2.gz XYCMJVAXMSKTHQ-NEPJUHHUSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@H]1C ZINC000416457616 532878275 /nfs/dbraw/zinc/87/82/75/532878275.db2.gz XYCMJVAXMSKTHQ-NEPJUHHUSA-N 1 2 386.315 2.424 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1OCC ZINC000370396193 532943185 /nfs/dbraw/zinc/94/31/85/532943185.db2.gz KUEYRQHVKMENGW-ZIAGYGMSSA-N 1 2 386.286 2.340 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1OCC ZINC000370396193 532943186 /nfs/dbraw/zinc/94/31/86/532943186.db2.gz KUEYRQHVKMENGW-ZIAGYGMSSA-N 1 2 386.286 2.340 20 30 GEEDLO CC(=[NH+]NCc1ccc(-c2nn[nH]n2)cc1)c1c(F)cccc1N1CCOCC1 ZINC000819773953 607253626 /nfs/dbraw/zinc/25/36/26/607253626.db2.gz YBROEFZODSJFDV-UHFFFAOYSA-N 1 2 395.442 2.356 20 30 GEEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000821769324 607492783 /nfs/dbraw/zinc/49/27/83/607492783.db2.gz GNUOQUYNEJYNBG-UHFFFAOYSA-N 1 2 393.426 2.208 20 30 GEEDLO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000826168908 608372473 /nfs/dbraw/zinc/37/24/73/608372473.db2.gz BSBZHGSYUMXTTQ-LJQANCHMSA-N 1 2 389.463 2.258 20 30 GEEDLO N#Cc1ccc(C2=CC[N@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826385074 608460376 /nfs/dbraw/zinc/46/03/76/608460376.db2.gz WDOPPVKIRJNCHA-IBGZPJMESA-N 1 2 385.431 2.054 20 30 GEEDLO N#Cc1ccc(C2=CC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826385074 608460377 /nfs/dbraw/zinc/46/03/77/608460377.db2.gz WDOPPVKIRJNCHA-IBGZPJMESA-N 1 2 385.431 2.054 20 30 GEEDLO C#CCOc1ccc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000823856293 608501324 /nfs/dbraw/zinc/50/13/24/608501324.db2.gz OMQXMUDLUVRORS-UHFFFAOYSA-N 1 2 388.475 2.197 20 30 GEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826380101 608652987 /nfs/dbraw/zinc/65/29/87/608652987.db2.gz NDFZLWLXPQKVOA-SFHVURJKSA-N 1 2 377.427 2.388 20 30 GEEDLO C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H](C)O1 ZINC000451013287 650080134 /nfs/dbraw/zinc/08/01/34/650080134.db2.gz GCLSVPUZDFNISM-OKILXGFUSA-N 1 2 385.917 2.184 20 30 GEEDLO C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H](C)O1 ZINC000451013287 650080136 /nfs/dbraw/zinc/08/01/36/650080136.db2.gz GCLSVPUZDFNISM-OKILXGFUSA-N 1 2 385.917 2.184 20 30 GEEDLO N#Cc1cc(F)c(S(=O)(=O)NCC[N@H+]2CC=CCC2)cc1Br ZINC000451498627 650121240 /nfs/dbraw/zinc/12/12/40/650121240.db2.gz WVVBXKOTMSUMCE-UHFFFAOYSA-N 1 2 388.262 2.000 20 30 GEEDLO N#Cc1cc(F)c(S(=O)(=O)NCC[N@@H+]2CC=CCC2)cc1Br ZINC000451498627 650121245 /nfs/dbraw/zinc/12/12/45/650121245.db2.gz WVVBXKOTMSUMCE-UHFFFAOYSA-N 1 2 388.262 2.000 20 30 GEEDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000451938855 650155427 /nfs/dbraw/zinc/15/54/27/650155427.db2.gz XWCFWHMIOFNQLI-CYBMUJFWSA-N 1 2 386.315 2.426 20 30 GEEDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000451938855 650155431 /nfs/dbraw/zinc/15/54/31/650155431.db2.gz XWCFWHMIOFNQLI-CYBMUJFWSA-N 1 2 386.315 2.426 20 30 GEEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cccc(Br)c1C#N ZINC000528131524 650685739 /nfs/dbraw/zinc/68/57/39/650685739.db2.gz QNDVYPFSHRTBEE-KRWDZBQOSA-N 1 2 380.286 2.348 20 30 GEEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cccc(Br)c1C#N ZINC000528131524 650685741 /nfs/dbraw/zinc/68/57/41/650685741.db2.gz QNDVYPFSHRTBEE-KRWDZBQOSA-N 1 2 380.286 2.348 20 30 GEEDLO CC1([NH+]2CCOCC2)CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000528536621 650695098 /nfs/dbraw/zinc/69/50/98/650695098.db2.gz OWLILHUSCULNBU-UHFFFAOYSA-N 1 2 383.901 2.087 20 30 GEEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000111334019 643333678 /nfs/dbraw/zinc/33/36/78/643333678.db2.gz ZDZQVCDMYDDFBT-UHFFFAOYSA-N 1 2 376.400 2.056 20 30 GEEDLO C=CCSc1nc2ccccc2n1C[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000182964725 644976847 /nfs/dbraw/zinc/97/68/47/644976847.db2.gz YMKVCUUYXQCRSS-AWEZNQCLSA-N 1 2 380.539 2.238 20 30 GEEDLO C=CCSc1nc2ccccc2n1C[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000182964725 644976850 /nfs/dbraw/zinc/97/68/50/644976850.db2.gz YMKVCUUYXQCRSS-AWEZNQCLSA-N 1 2 380.539 2.238 20 30 GEEDLO CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1[nH]c[nH+]c1C ZINC000267031444 645875357 /nfs/dbraw/zinc/87/53/57/645875357.db2.gz AZIIJPMIDZZMEF-UHFFFAOYSA-N 1 2 393.241 2.446 20 30 GEEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(Br)c1 ZINC000364836198 647645356 /nfs/dbraw/zinc/64/53/56/647645356.db2.gz ZAIQZINFSYLRBP-HNNXBMFYSA-N 1 2 398.326 2.321 20 30 GEEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c(Br)c1 ZINC000364836198 647645359 /nfs/dbraw/zinc/64/53/59/647645359.db2.gz ZAIQZINFSYLRBP-HNNXBMFYSA-N 1 2 398.326 2.321 20 30 GEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000408395672 647951897 /nfs/dbraw/zinc/95/18/97/647951897.db2.gz NFZDKPXVTJTXEL-NEPJUHHUSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C#N)c(Br)c2)C[C@H]1C ZINC000408395672 647951899 /nfs/dbraw/zinc/95/18/99/647951899.db2.gz NFZDKPXVTJTXEL-NEPJUHHUSA-N 1 2 386.315 2.424 20 30 GEEDLO C[C@H](C#N)S(=O)(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000416424715 648123759 /nfs/dbraw/zinc/12/37/59/648123759.db2.gz AUGBWPBTLAIJAZ-GFCCVEGCSA-N 1 2 386.315 2.245 20 30 GEEDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416496679 648149685 /nfs/dbraw/zinc/14/96/85/648149685.db2.gz QOMYARNCTFDCNI-LBPRGKRZSA-N 1 2 386.315 2.426 20 30 GEEDLO N#Cc1cc(NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)ccc1Br ZINC000550547051 651112767 /nfs/dbraw/zinc/11/27/67/651112767.db2.gz MQQHKTIMZRLIDV-UHFFFAOYSA-N 1 2 398.220 2.223 20 30 GEEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](CC2CC2)CC1 ZINC000550826621 651115404 /nfs/dbraw/zinc/11/54/04/651115404.db2.gz FGACZISYAYJPBI-UHFFFAOYSA-N 1 2 384.299 2.037 20 30 GEEDLO CC#CC[C@@H](CO)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000645429478 651603543 /nfs/dbraw/zinc/60/35/43/651603543.db2.gz RZNPQQXDYIDHJG-HNNXBMFYSA-N 1 2 393.285 2.021 20 30 GEEDLO CC#CC[C@H](CO)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000649185749 651820025 /nfs/dbraw/zinc/82/00/25/651820025.db2.gz KLEVBXPTSDEBAL-SJORKVTESA-N 1 2 379.298 2.477 20 30 GEEDLO N#Cc1c(F)cccc1S(=O)(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000742281651 651972676 /nfs/dbraw/zinc/97/26/76/651972676.db2.gz NJSISKCKUOCYHF-UHFFFAOYSA-N 1 2 379.482 2.308 20 30 GEEDLO O=C1Nc2c(cc(F)cc2Br)C1=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753927513 652420448 /nfs/dbraw/zinc/42/04/48/652420448.db2.gz CVRHQUVTCHEGPK-PHIMTYICSA-N 1 2 380.221 2.104 20 30 GEEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(-c3ccccc3Br)o2)nn1 ZINC000640793826 653139078 /nfs/dbraw/zinc/13/90/78/653139078.db2.gz CZRSRSIRPGRFPI-UHFFFAOYSA-N 1 2 387.241 2.252 20 30 GEEDLO CC#CC[NH2+]Cc1cn(CC(=O)N[C@H](C)c2ccc(Br)cc2)nn1 ZINC000640847989 653142113 /nfs/dbraw/zinc/14/21/13/653142113.db2.gz PDHXSZXFOWRGPY-CYBMUJFWSA-N 1 2 390.285 2.031 20 30 GEEDLO CC#CC[NH2+]Cc1cn(Cc2nc(-c3cc(Br)cs3)no2)nn1 ZINC000640993605 653149680 /nfs/dbraw/zinc/14/96/80/653149680.db2.gz CYSZARIJPDJMJL-UHFFFAOYSA-N 1 2 393.270 2.313 20 30 GEEDLO C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)N1CC#N ZINC000602854377 653209843 /nfs/dbraw/zinc/20/98/43/653209843.db2.gz OJZPTOQPHFJQRL-VBQJREDUSA-N 1 2 391.313 2.473 20 30 GEEDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H](C)N1CC#N ZINC000602854377 653209849 /nfs/dbraw/zinc/20/98/49/653209849.db2.gz OJZPTOQPHFJQRL-VBQJREDUSA-N 1 2 391.313 2.473 20 30 GEEDLO C[C@@H]1C[NH+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H](C)N1CC#N ZINC000602867607 653210951 /nfs/dbraw/zinc/21/09/51/653210951.db2.gz YTZRUZIYLYEGIE-CHWSQXEVSA-N 1 2 399.358 2.387 20 30 GEEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)C1CC1 ZINC000602880699 653211469 /nfs/dbraw/zinc/21/14/69/653211469.db2.gz IFRFGJUKLSOWSS-RHSMWYFYSA-N 1 2 393.285 2.106 20 30 GEEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)C1CC1 ZINC000602880699 653211478 /nfs/dbraw/zinc/21/14/78/653211478.db2.gz IFRFGJUKLSOWSS-RHSMWYFYSA-N 1 2 393.285 2.106 20 30 GEEDLO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CCCO1 ZINC000775796094 653329458 /nfs/dbraw/zinc/32/94/58/653329458.db2.gz SNGQNSCHARZBJU-IAGOWNOFSA-N 1 2 376.503 2.484 20 30 GEEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc3ccc(Br)cc3n2)CC1 ZINC000811714684 653402779 /nfs/dbraw/zinc/40/27/79/653402779.db2.gz LXUAALDQZPAQGB-UHFFFAOYSA-N 1 2 389.297 2.422 20 30 GEEDLO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000877476727 653524455 /nfs/dbraw/zinc/52/44/55/653524455.db2.gz LUEHTAJIYWNFHK-UHFFFAOYSA-N 1 2 379.869 2.317 20 30 GEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000838112278 653609480 /nfs/dbraw/zinc/60/94/80/653609480.db2.gz IRDIVCODLITYRB-XJKSGUPXSA-N 1 2 380.286 2.143 20 30 GEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCO[C@@H](C)C1)c1ccc(Br)cc1 ZINC000838112278 653609482 /nfs/dbraw/zinc/60/94/82/653609482.db2.gz IRDIVCODLITYRB-XJKSGUPXSA-N 1 2 380.286 2.143 20 30 GEEDLO C[C@@H]1C[NH+]=C(NN=Cc2cc(Br)cc(Br)c2O)N1 ZINC000779802112 653611035 /nfs/dbraw/zinc/61/10/35/653611035.db2.gz BFTDZYJGWNXUBR-ZCFIWIBFSA-N 1 2 376.052 2.188 20 30 GEEDLO CN1C(=O)CN(N=C2CC[N@H+](C)[C@@H](c3ccc(Br)cc3)C2)C1=O ZINC000863106292 653702169 /nfs/dbraw/zinc/70/21/69/653702169.db2.gz UJTCKLGDEHRIQL-CQSZACIVSA-N 1 2 379.258 2.466 20 30 GEEDLO CN1C(=O)CN(N=C2CC[N@@H+](C)[C@@H](c3ccc(Br)cc3)C2)C1=O ZINC000863106292 653702172 /nfs/dbraw/zinc/70/21/72/653702172.db2.gz UJTCKLGDEHRIQL-CQSZACIVSA-N 1 2 379.258 2.466 20 30 GEEDLO C[NH+](C)CCNC(=O)CC1SC(=Nc2ccsc2)N(CCCF)C1=O ZINC000790736738 653796465 /nfs/dbraw/zinc/79/64/65/653796465.db2.gz PWMCYILDVSMXJR-ZDUSSCGKSA-N 1 2 386.518 2.107 20 30 GEEDLO C[NH+](C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCCF)C1=O ZINC000790736738 653796468 /nfs/dbraw/zinc/79/64/68/653796468.db2.gz PWMCYILDVSMXJR-ZDUSSCGKSA-N 1 2 386.518 2.107 20 30 GEEDLO C#CC[NH+]1CCN(c2ncnc3cc(I)sc32)CC1 ZINC000845460204 653849382 /nfs/dbraw/zinc/84/93/82/653849382.db2.gz BOIZCULROBZGEU-UHFFFAOYSA-N 1 2 384.246 2.051 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000884334833 653872698 /nfs/dbraw/zinc/87/26/98/653872698.db2.gz CVLKJQDZZGWOJH-HUBLWGQQSA-N 1 2 399.260 2.397 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC/C=C/c1ccc(Br)cc1 ZINC000884428798 653876562 /nfs/dbraw/zinc/87/65/62/653876562.db2.gz NHTMPQJZCADURL-UJAVWCLSSA-N 1 2 381.270 2.415 20 30 GEEDLO C=CC[NH+]1CCC(NC(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 ZINC000847452034 653929349 /nfs/dbraw/zinc/92/93/49/653929349.db2.gz QCLMKKRBLWHMFW-UHFFFAOYSA-N 1 2 376.400 2.360 20 30 GEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2sc(Br)cc2C)CC1 ZINC000921437315 654267196 /nfs/dbraw/zinc/26/71/96/654267196.db2.gz UAKXBWFIUHCONE-UHFFFAOYSA-N 1 2 377.329 2.195 20 30 GEEDLO N#Cc1cc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)ccc1Br ZINC000906851891 654479267 /nfs/dbraw/zinc/47/92/67/654479267.db2.gz KXHIGGGJMJNFBR-UHFFFAOYSA-N 1 2 384.299 2.037 20 30 GEEDLO N#CCCNC(=O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932947152 654795804 /nfs/dbraw/zinc/79/58/04/654795804.db2.gz ZDFGDDAPJJOPFV-YUMQZZPRSA-N 1 2 379.251 2.119 20 30 GEEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932947134 654795814 /nfs/dbraw/zinc/79/58/14/654795814.db2.gz ZAEAYWIKJMULQA-HLTSFMKQSA-N 1 2 378.263 2.227 20 30 GEEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932947134 654795818 /nfs/dbraw/zinc/79/58/18/654795818.db2.gz ZAEAYWIKJMULQA-HLTSFMKQSA-N 1 2 378.263 2.227 20 30 GEEDLO N#Cc1cc(CS(=O)(=O)NCC2([NH+]3CCOCC3)CCCCC2)cs1 ZINC000913844802 654811659 /nfs/dbraw/zinc/81/16/59/654811659.db2.gz BTVWIBLHCARAML-UHFFFAOYSA-N 1 2 383.539 2.074 20 30 GEEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C(C)C)ccc1C#N ZINC001164698653 719842409 /nfs/dbraw/zinc/84/24/09/719842409.db2.gz GMRQQCBXWLRTTE-UTKZUKDTSA-N 1 2 386.496 2.309 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2c(cc1C#N)CCCC2 ZINC001164701166 719867884 /nfs/dbraw/zinc/86/78/84/719867884.db2.gz FPIIFVKYVQPJFC-XMSQKQJNSA-N 1 2 398.507 2.065 20 30 GEEDLO N#Cc1cc(F)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944159 721970941 /nfs/dbraw/zinc/97/09/41/721970941.db2.gz HGPFDVIUISVFTA-UHFFFAOYSA-N 1 2 379.439 2.063 20 30 GEEDLO N#Cc1cc(F)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944159 721970942 /nfs/dbraw/zinc/97/09/42/721970942.db2.gz HGPFDVIUISVFTA-UHFFFAOYSA-N 1 2 379.439 2.063 20 30 GEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000024372263 531602675 /nfs/dbraw/zinc/60/26/75/531602675.db2.gz UQJZDCOVCYJDEE-SNVBAGLBSA-N 1 2 387.267 2.264 20 30 GEEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000024372263 531602688 /nfs/dbraw/zinc/60/26/88/531602688.db2.gz UQJZDCOVCYJDEE-SNVBAGLBSA-N 1 2 387.267 2.264 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(Br)c(F)c1 ZINC000064645940 531869551 /nfs/dbraw/zinc/86/95/51/531869551.db2.gz YGFALJPDEWSFQZ-UHFFFAOYSA-N 1 2 384.249 2.276 20 30 GEEDLO C=CC[N@@H+](Cc1cc2c(c(Br)c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000171748185 531913708 /nfs/dbraw/zinc/91/37/08/531913708.db2.gz ZMWRFERABNFGSW-LBPRGKRZSA-N 1 2 388.283 2.353 20 30 GEEDLO C=CC[N@H+](Cc1cc2c(c(Br)c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000171748185 531913719 /nfs/dbraw/zinc/91/37/19/531913719.db2.gz ZMWRFERABNFGSW-LBPRGKRZSA-N 1 2 388.283 2.353 20 30 GEEDLO CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000092257813 531926390 /nfs/dbraw/zinc/92/63/90/531926390.db2.gz IHYVJGXKUKYHKB-UHFFFAOYSA-N 1 2 382.555 2.247 20 30 GEEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1 ZINC000121215802 532018240 /nfs/dbraw/zinc/01/82/40/532018240.db2.gz HQPPREUOKXICPA-CYBMUJFWSA-N 1 2 382.511 2.046 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1Cl ZINC000173897052 532039658 /nfs/dbraw/zinc/03/96/58/532039658.db2.gz VUGRJVCTGBQLBN-HNNXBMFYSA-N 1 2 383.901 2.087 20 30 GEEDLO Cc1sc(NC(=O)CN2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c(C#N)c1C ZINC000175806819 532116027 /nfs/dbraw/zinc/11/60/27/532116027.db2.gz DILNFZMCUPBMQX-LLVKDONJSA-N 1 2 377.539 2.284 20 30 GEEDLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000516089832 532377764 /nfs/dbraw/zinc/37/77/64/532377764.db2.gz ZMMQFRRCTWXJDH-CYBMUJFWSA-N 1 2 383.901 2.085 20 30 GEEDLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000516089832 532377771 /nfs/dbraw/zinc/37/77/71/532377771.db2.gz ZMMQFRRCTWXJDH-CYBMUJFWSA-N 1 2 383.901 2.085 20 30 GEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000593154645 532472678 /nfs/dbraw/zinc/47/26/78/532472678.db2.gz PNFCHHPXNRIMJS-INIZCTEOSA-N 1 2 377.242 2.277 20 30 GEEDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000283077937 532518386 /nfs/dbraw/zinc/51/83/86/532518386.db2.gz NTYIXVXDTBHKAU-UONOGXRCSA-N 1 2 380.235 2.145 20 30 GEEDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000283077937 532518391 /nfs/dbraw/zinc/51/83/91/532518391.db2.gz NTYIXVXDTBHKAU-UONOGXRCSA-N 1 2 380.235 2.145 20 30 GEEDLO CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@H]1c1[nH]cc[nH+]1 ZINC000431632202 532520084 /nfs/dbraw/zinc/52/00/84/532520084.db2.gz GSKFEVIPIYSCLP-AWEZNQCLSA-N 1 2 379.873 2.002 20 30 GEEDLO Cc1cc(I)cc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)c1C ZINC000565719834 532574268 /nfs/dbraw/zinc/57/42/68/532574268.db2.gz NCJQUDLFTCLUPL-HNNXBMFYSA-N 1 2 385.249 2.482 20 30 GEEDLO C[C@@]1(C#N)CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000596928135 532609392 /nfs/dbraw/zinc/60/93/92/532609392.db2.gz ODQZVOUPBCXISI-INIZCTEOSA-N 1 2 394.273 2.448 20 30 GEEDLO Cc1cn2c([nH+]1)CC[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)C2 ZINC000376384682 532611110 /nfs/dbraw/zinc/61/11/10/532611110.db2.gz NKZWCPINUZLMJL-LLVKDONJSA-N 1 2 395.282 2.119 20 30 GEEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc3cccc(Br)c3n2)CC1 ZINC000474788295 532628870 /nfs/dbraw/zinc/62/88/70/532628870.db2.gz QRGUGATXKBVVMP-UHFFFAOYSA-N 1 2 389.297 2.422 20 30 GEEDLO Cn1ncc2c1nc[nH+]c2SCCCC(=O)ONC(=N)c1cccs1 ZINC000299358449 532711732 /nfs/dbraw/zinc/71/17/32/532711732.db2.gz JJZHFDUOPRUOQD-UHFFFAOYSA-N 1 2 376.467 2.161 20 30 GEEDLO CCN(CCC#N)S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000409534515 532724212 /nfs/dbraw/zinc/72/42/12/532724212.db2.gz IJJSDDZHUDSZSC-HNNXBMFYSA-N 1 2 381.889 2.233 20 30 GEEDLO N#Cc1cc(F)c(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)c(F)c1 ZINC000539174092 532725191 /nfs/dbraw/zinc/72/51/91/532725191.db2.gz YVZBYOARMAYWAR-UHFFFAOYSA-N 1 2 380.298 2.074 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(F)c(Br)c1 ZINC000299562655 532727148 /nfs/dbraw/zinc/72/71/48/532727148.db2.gz VWSHFCXZXCUVNZ-UHFFFAOYSA-N 1 2 398.276 2.205 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)c2cccc(Cl)c2F)cc1 ZINC000499936561 532728991 /nfs/dbraw/zinc/72/89/91/532728991.db2.gz ANGFQSPJHOXDCG-INIZCTEOSA-N 1 2 382.844 2.448 20 30 GEEDLO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1=O ZINC000500017234 532731115 /nfs/dbraw/zinc/73/11/15/532731115.db2.gz IXLLACQKABAQJD-HZPDHXFCSA-N 1 2 392.297 2.273 20 30 GEEDLO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1=O ZINC000500017234 532731119 /nfs/dbraw/zinc/73/11/19/532731119.db2.gz IXLLACQKABAQJD-HZPDHXFCSA-N 1 2 392.297 2.273 20 30 GEEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CCCSC3)c2)CC1 ZINC000329538307 532807894 /nfs/dbraw/zinc/80/78/94/532807894.db2.gz VIPXAZHDIZSGOM-AWEZNQCLSA-N 1 2 383.539 2.354 20 30 GEEDLO COc1ccc([C@H](C)NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc1Br ZINC000329703401 532810128 /nfs/dbraw/zinc/81/01/28/532810128.db2.gz IIADBGGXKGDOEU-HZUKXOBISA-N 1 2 398.301 2.448 20 30 GEEDLO COc1ccc([C@H](C)NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1Br ZINC000329703401 532810129 /nfs/dbraw/zinc/81/01/29/532810129.db2.gz IIADBGGXKGDOEU-HZUKXOBISA-N 1 2 398.301 2.448 20 30 GEEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000330377287 532817409 /nfs/dbraw/zinc/81/74/09/532817409.db2.gz PZSDBFARPAELNV-LSDHHAIUSA-N 1 2 384.933 2.355 20 30 GEEDLO C[C@H]1C[NH+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000330497712 532819687 /nfs/dbraw/zinc/81/96/87/532819687.db2.gz YPKKPAIIFCQATC-STQMWFEESA-N 1 2 385.917 2.378 20 30 GEEDLO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCCN(C(=O)c4ccco4)CC3)C2=O)cc1 ZINC000359936575 212126139 /nfs/dbraw/zinc/12/61/39/212126139.db2.gz NECARRICSCOTIO-SFHVURJKSA-N 1 2 378.432 2.105 20 30 GEEDLO N#Cc1ccc(N2CC[C@H]([N@H+]3CCCN(C(=O)c4ccco4)CC3)C2=O)cc1 ZINC000359936575 212126141 /nfs/dbraw/zinc/12/61/41/212126141.db2.gz NECARRICSCOTIO-SFHVURJKSA-N 1 2 378.432 2.105 20 30 GEEDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000288898545 532841171 /nfs/dbraw/zinc/84/11/71/532841171.db2.gz SKYDLUIUEZOJJF-UHFFFAOYSA-N 1 2 390.241 2.004 20 30 GEEDLO CCN1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332341211 532852442 /nfs/dbraw/zinc/85/24/42/532852442.db2.gz QVCUWVIZNLVISQ-CQSZACIVSA-N 1 2 379.873 2.002 20 30 GEEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)nc1 ZINC000366395442 532916897 /nfs/dbraw/zinc/91/68/97/532916897.db2.gz GQQTVHYVNOBLDW-CYBMUJFWSA-N 1 2 376.869 2.438 20 30 GEEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)nc1 ZINC000366395442 532916899 /nfs/dbraw/zinc/91/68/99/532916899.db2.gz GQQTVHYVNOBLDW-CYBMUJFWSA-N 1 2 376.869 2.438 20 30 GEEDLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN(c2cc(C#N)ccn2)CC1 ZINC000737407452 599265413 /nfs/dbraw/zinc/26/54/13/599265413.db2.gz BIWXFQSKAHIUOM-UHFFFAOYSA-N 1 2 397.446 2.317 20 30 GEEDLO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000821732104 607492864 /nfs/dbraw/zinc/49/28/64/607492864.db2.gz JZXFYNRIWNHKQJ-UHFFFAOYSA-N 1 2 393.426 2.208 20 30 GEEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000825710806 601816159 /nfs/dbraw/zinc/81/61/59/601816159.db2.gz BPTAJXLNZDRHIT-JKSUJKDBSA-N 1 2 393.557 2.238 20 30 GEEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000825710806 601816161 /nfs/dbraw/zinc/81/61/61/601816161.db2.gz BPTAJXLNZDRHIT-JKSUJKDBSA-N 1 2 393.557 2.238 20 30 GEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000822802254 606708922 /nfs/dbraw/zinc/70/89/22/606708922.db2.gz YEHODWCHPFOIRA-IBGZPJMESA-N 1 2 377.427 2.388 20 30 GEEDLO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000822802255 606709004 /nfs/dbraw/zinc/70/90/04/606709004.db2.gz YEHODWCHPFOIRA-LJQANCHMSA-N 1 2 377.427 2.388 20 30 GEEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@@H+]1CCOC ZINC000451207400 650096389 /nfs/dbraw/zinc/09/63/89/650096389.db2.gz KCPXLJWKEIELAA-HNNXBMFYSA-N 1 2 385.917 2.137 20 30 GEEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@H+]1CCOC ZINC000451207400 650096391 /nfs/dbraw/zinc/09/63/91/650096391.db2.gz KCPXLJWKEIELAA-HNNXBMFYSA-N 1 2 385.917 2.137 20 30 GEEDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cccc(C#N)c1Br ZINC000451689902 650133441 /nfs/dbraw/zinc/13/34/41/650133441.db2.gz KPUQUQVEJPMWGD-JSGCOSHPSA-N 1 2 378.270 2.256 20 30 GEEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc(Br)cc1C#N ZINC000528132790 650685764 /nfs/dbraw/zinc/68/57/64/650685764.db2.gz NXQQVAWVKCGMDR-KRWDZBQOSA-N 1 2 380.286 2.348 20 30 GEEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc(Br)cc1C#N ZINC000528132790 650685766 /nfs/dbraw/zinc/68/57/66/650685766.db2.gz NXQQVAWVKCGMDR-KRWDZBQOSA-N 1 2 380.286 2.348 20 30 GEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485101959 650693138 /nfs/dbraw/zinc/69/31/38/650693138.db2.gz FOHIURNEKGAACM-LBPRGKRZSA-N 1 2 388.331 2.313 20 30 GEEDLO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000485101959 650693140 /nfs/dbraw/zinc/69/31/40/650693140.db2.gz FOHIURNEKGAACM-LBPRGKRZSA-N 1 2 388.331 2.313 20 30 GEEDLO Cn1ncc(Br)c1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000278757712 646546283 /nfs/dbraw/zinc/54/62/83/646546283.db2.gz NPXHUEFKVJTMNI-HNNXBMFYSA-N 1 2 388.269 2.339 20 30 GEEDLO C[C@](O)(CNC(=O)c1c(F)ccc(Br)c1F)C[NH+]1CCOCC1 ZINC000331154154 647368692 /nfs/dbraw/zinc/36/86/92/647368692.db2.gz PBFWKCFYCIFJJH-HNNXBMFYSA-N 1 2 393.228 2.115 20 30 GEEDLO C=CCn1cc(C[NH2+][C@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)nn1 ZINC000424290927 648622817 /nfs/dbraw/zinc/62/28/17/648622817.db2.gz CPUAHMQBKUXELS-OAHLLOKOSA-N 1 2 383.905 2.267 20 30 GEEDLO CCS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000569044942 651696549 /nfs/dbraw/zinc/69/65/49/651696549.db2.gz WYYBFZIVEWBBLW-UHFFFAOYSA-N 1 2 375.416 2.481 20 30 GEEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000578407600 652269244 /nfs/dbraw/zinc/26/92/44/652269244.db2.gz OCQRJBHWPSRJJQ-AWEZNQCLSA-N 1 2 375.416 2.433 20 30 GEEDLO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000578407600 652269249 /nfs/dbraw/zinc/26/92/49/652269249.db2.gz OCQRJBHWPSRJJQ-AWEZNQCLSA-N 1 2 375.416 2.433 20 30 GEEDLO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cc(Br)c(F)cc1O ZINC000756704677 652504209 /nfs/dbraw/zinc/50/42/09/652504209.db2.gz KOKVTADZVWERAW-FFZUDHDGSA-N 1 2 398.232 2.471 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000639531698 652941272 /nfs/dbraw/zinc/94/12/72/652941272.db2.gz OCILOHGPPVKDEM-GJZGRUSLSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000639531698 652941276 /nfs/dbraw/zinc/94/12/76/652941276.db2.gz OCILOHGPPVKDEM-GJZGRUSLSA-N 1 2 394.320 2.408 20 30 GEEDLO C[C@@H](CCC#N)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000602433147 653180706 /nfs/dbraw/zinc/18/07/06/653180706.db2.gz KIMHSMIKEQOZPO-LBPRGKRZSA-N 1 2 375.416 2.350 20 30 GEEDLO N#Cc1cccc(N2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)n1 ZINC000602614117 653194770 /nfs/dbraw/zinc/19/47/70/653194770.db2.gz CHRMQKDUQAQIRC-UHFFFAOYSA-N 1 2 398.268 2.081 20 30 GEEDLO C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H](C)N1CC#N ZINC000602867605 653210902 /nfs/dbraw/zinc/21/09/02/653210902.db2.gz YTZRUZIYLYEGIE-BETUJISGSA-N 1 2 399.358 2.387 20 30 GEEDLO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H](C)N1CC#N ZINC000602867605 653210906 /nfs/dbraw/zinc/21/09/06/653210906.db2.gz YTZRUZIYLYEGIE-BETUJISGSA-N 1 2 399.358 2.387 20 30 GEEDLO Cc1c(I)cn(Cc2cc[nH+]c(N(C)C)c2)c(=O)c1C#N ZINC000809967736 653315138 /nfs/dbraw/zinc/31/51/38/653315138.db2.gz SBRYLGVTTJRPNX-UHFFFAOYSA-N 1 2 394.216 2.142 20 30 GEEDLO C#C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)c1ccc(Br)cc1 ZINC000836348942 653346022 /nfs/dbraw/zinc/34/60/22/653346022.db2.gz ITLDCNFCSAOBSX-BBRMVZONSA-N 1 2 380.286 2.143 20 30 GEEDLO C#C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)c1ccc(Br)cc1 ZINC000836348942 653346026 /nfs/dbraw/zinc/34/60/26/653346026.db2.gz ITLDCNFCSAOBSX-BBRMVZONSA-N 1 2 380.286 2.143 20 30 GEEDLO N#Cc1ccc(C[NH+]2CCN(C[C@@H](O)c3cc(Br)no3)CC2)cc1 ZINC000877944485 653624052 /nfs/dbraw/zinc/62/40/52/653624052.db2.gz XMRWHVMHHIHSMU-OAHLLOKOSA-N 1 2 391.269 2.160 20 30 GEEDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC000883099331 653826712 /nfs/dbraw/zinc/82/67/12/653826712.db2.gz RBPBYUMXDRSAHK-SNVBAGLBSA-N 1 2 375.230 2.471 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CC)Cc1ccccc1Br ZINC000884165726 653866604 /nfs/dbraw/zinc/86/66/04/653866604.db2.gz NCZGJUXIENXAPU-ZFWWWQNUSA-N 1 2 383.286 2.333 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2cc(Br)cc(C)c2C1 ZINC000884331308 653872705 /nfs/dbraw/zinc/87/27/05/653872705.db2.gz LHYHBMNZFBKURQ-HNNXBMFYSA-N 1 2 381.270 2.089 20 30 GEEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)Cc2ccsc2Br)C1 ZINC000919874817 654194796 /nfs/dbraw/zinc/19/47/96/654194796.db2.gz GJSHDOJPWRZBKL-LBPRGKRZSA-N 1 2 377.329 2.028 20 30 GEEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2ccsc2Br)C1 ZINC000919874817 654194798 /nfs/dbraw/zinc/19/47/98/654194798.db2.gz GJSHDOJPWRZBKL-LBPRGKRZSA-N 1 2 377.329 2.028 20 30 GEEDLO C#CCOCC[N@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000852049876 654214977 /nfs/dbraw/zinc/21/49/77/654214977.db2.gz GXGVCXCZUVWHGH-UHFFFAOYSA-N 1 2 387.343 2.295 20 30 GEEDLO C#CCOCC[N@@H+](CCN1CCOCC1)Cc1sccc1Br ZINC000852049876 654214984 /nfs/dbraw/zinc/21/49/84/654214984.db2.gz GXGVCXCZUVWHGH-UHFFFAOYSA-N 1 2 387.343 2.295 20 30 GEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000921437125 654267055 /nfs/dbraw/zinc/26/70/55/654267055.db2.gz NMWKNTXMFFRORF-UHFFFAOYSA-N 1 2 380.363 2.100 20 30 GEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(Br)s2)CC1 ZINC000921438541 654267775 /nfs/dbraw/zinc/26/77/75/654267775.db2.gz CZWZCYBUMKZYOK-UHFFFAOYSA-N 1 2 377.329 2.195 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2ccc(Br)c(C)c2)no1 ZINC000904118669 654302588 /nfs/dbraw/zinc/30/25/88/654302588.db2.gz MMYIRIXNFMWRTK-ZDUSSCGKSA-N 1 2 380.242 2.330 20 30 GEEDLO NS(=O)(=O)C[C@H]1CCCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000931228825 654734941 /nfs/dbraw/zinc/73/49/41/654734941.db2.gz GGPLSZFFRRVQNA-CQSZACIVSA-N 1 2 376.400 2.080 20 30 GEEDLO NS(=O)(=O)C[C@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000931228825 654734943 /nfs/dbraw/zinc/73/49/43/654734943.db2.gz GGPLSZFFRRVQNA-CQSZACIVSA-N 1 2 376.400 2.080 20 30 GEEDLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)CC(C)(C)C#N)CC2)cs1 ZINC000914092168 654826094 /nfs/dbraw/zinc/82/60/94/654826094.db2.gz CAVVKSKLYUKRJT-UHFFFAOYSA-N 1 2 384.571 2.387 20 30 GEEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C)c1C#N ZINC001164703954 719841005 /nfs/dbraw/zinc/84/10/05/719841005.db2.gz ROEZPSHYWHSTIN-LIRRHRJNSA-N 1 2 392.887 2.148 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)c(C#N)cc1Cl ZINC001164697499 719878530 /nfs/dbraw/zinc/87/85/30/719878530.db2.gz CFDICUAKEBEUQB-DNVCBOLYSA-N 1 2 392.887 2.148 20 30 GEEDLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)CC3(C#N)CC3)CC2)cs1 ZINC000165243587 531870458 /nfs/dbraw/zinc/87/04/58/531870458.db2.gz CMRXBTXOCHEOEZ-UHFFFAOYSA-N 1 2 382.555 2.141 20 30 GEEDLO CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@@H+]1CCOC ZINC000166020620 531875844 /nfs/dbraw/zinc/87/58/44/531875844.db2.gz APSJGVAGBZXQRN-INIZCTEOSA-N 1 2 385.917 2.333 20 30 GEEDLO CCC[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC[N@H+]1CCOC ZINC000166020620 531875848 /nfs/dbraw/zinc/87/58/48/531875848.db2.gz APSJGVAGBZXQRN-INIZCTEOSA-N 1 2 385.917 2.333 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121161151 532014831 /nfs/dbraw/zinc/01/48/31/532014831.db2.gz NWKDSSRCHNKJPV-QGTPRVQTSA-N 1 2 387.929 2.454 20 30 GEEDLO C=CC[N@H+](C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000121161151 532014835 /nfs/dbraw/zinc/01/48/35/532014835.db2.gz NWKDSSRCHNKJPV-QGTPRVQTSA-N 1 2 387.929 2.454 20 30 GEEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000173859487 532038838 /nfs/dbraw/zinc/03/88/38/532038838.db2.gz YYCBHMMUKCGDJM-UHFFFAOYSA-N 1 2 391.921 2.432 20 30 GEEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000121846599 532050048 /nfs/dbraw/zinc/05/00/48/532050048.db2.gz YJCOXXPTBKOAOS-CYBMUJFWSA-N 1 2 379.302 2.357 20 30 GEEDLO N#Cc1cc(Br)cc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000177728358 532181518 /nfs/dbraw/zinc/18/15/18/532181518.db2.gz YBXJYGHWPHDBEU-UHFFFAOYSA-N 1 2 391.250 2.447 20 30 GEEDLO COc1cc(C#N)ccc1S(=O)(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000463701653 532380768 /nfs/dbraw/zinc/38/07/68/532380768.db2.gz YCUNUQKSRNBIEX-UHFFFAOYSA-N 1 2 376.825 2.346 20 30 GEEDLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1ccc(Br)cc1C#N ZINC000295643614 532466670 /nfs/dbraw/zinc/46/66/70/532466670.db2.gz QYOIWGNYEFYISK-MLGOLLRUSA-N 1 2 378.270 2.256 20 30 GEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2cccc(Br)c2C#N)CC1 ZINC000520908607 532502276 /nfs/dbraw/zinc/50/22/76/532502276.db2.gz ZHEODSKOLZIIOT-AWEZNQCLSA-N 1 2 391.313 2.454 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000594492261 532512498 /nfs/dbraw/zinc/51/24/98/532512498.db2.gz GJKBKSTYENGTQI-HNNXBMFYSA-N 1 2 383.901 2.087 20 30 GEEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000374607564 532513185 /nfs/dbraw/zinc/51/31/85/532513185.db2.gz FNIMLJUQCPZLRY-HNNXBMFYSA-N 1 2 380.857 2.069 20 30 GEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(I)c(F)cc1F ZINC000565051615 532545747 /nfs/dbraw/zinc/54/57/47/532545747.db2.gz OBTSDJLIUYGFEG-CYBMUJFWSA-N 1 2 393.175 2.143 20 30 GEEDLO Cc1nc(N2CCN(c3nccnc3C#N)C[C@@H]2C)c(Br)c(C)[nH+]1 ZINC000596162961 532589230 /nfs/dbraw/zinc/58/92/30/532589230.db2.gz PMTWALHIORMPIV-JTQLQIEISA-N 1 2 388.273 2.233 20 30 GEEDLO NC(COc1ccc(Cl)cc1Cl)=[NH+]OC[C@H]1CCCS(=O)(=O)C1 ZINC000284450954 532593240 /nfs/dbraw/zinc/59/32/40/532593240.db2.gz PXUMALRFMSEKFK-SNVBAGLBSA-N 1 2 381.281 2.486 20 30 GEEDLO N#Cc1cc(Br)cc(S(=O)(=O)NCCNc2cccc[nH+]2)c1 ZINC000472334089 532572217 /nfs/dbraw/zinc/57/22/17/532572217.db2.gz HBHKPCCNTNHNBR-UHFFFAOYSA-N 1 2 381.255 2.106 20 30 GEEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCN(c2ccc(Br)cc2)CC1)C1CC1 ZINC000595739822 532572302 /nfs/dbraw/zinc/57/23/02/532572302.db2.gz QSWCIMSOVVBUEH-SFHVURJKSA-N 1 2 391.313 2.380 20 30 GEEDLO C[C@@H](O[NH+]=C(N)[C@@H]1CCCO1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000284019712 532573804 /nfs/dbraw/zinc/57/38/04/532573804.db2.gz HZZKOYYXWOAYAF-RISCZKNCSA-N 1 2 384.274 2.264 20 30 GEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000566306453 532603147 /nfs/dbraw/zinc/60/31/47/532603147.db2.gz QCJKAHMSJJWHKR-MRXNPFEDSA-N 1 2 376.258 2.208 20 30 GEEDLO N#Cc1cc(Br)ccc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597708626 532626436 /nfs/dbraw/zinc/62/64/36/532626436.db2.gz YRJRJLXSPIYWQK-HNNXBMFYSA-N 1 2 378.270 2.258 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(F)cc1Br ZINC000263809738 532642306 /nfs/dbraw/zinc/64/23/06/532642306.db2.gz NYNUVHWJKVNCKH-UHFFFAOYSA-N 1 2 384.249 2.276 20 30 GEEDLO N#Cc1cccc(CS(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000299156565 532698799 /nfs/dbraw/zinc/69/87/99/532698799.db2.gz SCMFMUZXDKZFLV-UHFFFAOYSA-N 1 2 375.519 2.310 20 30 GEEDLO N#Cc1ccc(CS(=O)(=O)NCC[N@@H+]2CCc3sccc3C2)c(F)c1 ZINC000440048235 532705592 /nfs/dbraw/zinc/70/55/92/532705592.db2.gz GNLKISAJPXMVFH-UHFFFAOYSA-N 1 2 379.482 2.237 20 30 GEEDLO N#Cc1ccc(CS(=O)(=O)NCC[N@H+]2CCc3sccc3C2)c(F)c1 ZINC000440048235 532705596 /nfs/dbraw/zinc/70/55/96/532705596.db2.gz GNLKISAJPXMVFH-UHFFFAOYSA-N 1 2 379.482 2.237 20 30 GEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(=O)Nc2ccc(Br)cc2)C1=O ZINC000499998666 532730664 /nfs/dbraw/zinc/73/06/64/532730664.db2.gz TTWRYPJAFHSBQB-DOMZBBRYSA-N 1 2 380.286 2.495 20 30 GEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(=O)Nc2ccc(Br)cc2)C1=O ZINC000499998666 532730667 /nfs/dbraw/zinc/73/06/67/532730667.db2.gz TTWRYPJAFHSBQB-DOMZBBRYSA-N 1 2 380.286 2.495 20 30 GEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1=O ZINC000500017236 532731145 /nfs/dbraw/zinc/73/11/45/532731145.db2.gz IXLLACQKABAQJD-JKSUJKDBSA-N 1 2 392.297 2.273 20 30 GEEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1=O ZINC000500017236 532731151 /nfs/dbraw/zinc/73/11/51/532731151.db2.gz IXLLACQKABAQJD-JKSUJKDBSA-N 1 2 392.297 2.273 20 30 GEEDLO CC(C)N(C)C(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000411416241 532760203 /nfs/dbraw/zinc/76/02/03/532760203.db2.gz CQRXSQFMNVHZDL-KRWDZBQOSA-N 1 2 393.329 2.498 20 30 GEEDLO CN1CCC[C@@H]([NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O ZINC000541854026 532760647 /nfs/dbraw/zinc/76/06/47/532760647.db2.gz ONHRYTXVJGRNHV-SJORKVTESA-N 1 2 391.313 2.252 20 30 GEEDLO CS(=O)(=O)NCC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000286817061 532771376 /nfs/dbraw/zinc/77/13/76/532771376.db2.gz KAVDZFCTIUXWEC-UHFFFAOYSA-N 1 2 386.315 2.082 20 30 GEEDLO CCn1c(SC[C@@H](O)C[N@H+](C)CCC#N)nc2sc(C)c(C)c2c1=O ZINC000414096580 532818561 /nfs/dbraw/zinc/81/85/61/532818561.db2.gz LUVNCDNPHQPVFG-ZDUSSCGKSA-N 1 2 380.539 2.393 20 30 GEEDLO CCn1c(SC[C@@H](O)C[N@@H+](C)CCC#N)nc2sc(C)c(C)c2c1=O ZINC000414096580 532818564 /nfs/dbraw/zinc/81/85/64/532818564.db2.gz LUVNCDNPHQPVFG-ZDUSSCGKSA-N 1 2 380.539 2.393 20 30 GEEDLO COc1cccc(Nc2nnc(SC[C@@H](O)C[N@H+](C)CCC#N)s2)c1 ZINC000414093739 532818741 /nfs/dbraw/zinc/81/87/41/532818741.db2.gz HLZRRVBXHKTNPP-ZDUSSCGKSA-N 1 2 379.511 2.589 20 30 GEEDLO COc1cccc(Nc2nnc(SC[C@@H](O)C[N@@H+](C)CCC#N)s2)c1 ZINC000414093739 532818744 /nfs/dbraw/zinc/81/87/44/532818744.db2.gz HLZRRVBXHKTNPP-ZDUSSCGKSA-N 1 2 379.511 2.589 20 30 GEEDLO CCOc1cc(C#N)cc(Br)c1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414145739 532819799 /nfs/dbraw/zinc/81/97/99/532819799.db2.gz PQGOSCOKMISAHQ-CYBMUJFWSA-N 1 2 382.258 2.305 20 30 GEEDLO CCOc1cc(C#N)cc(Br)c1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414145739 532819801 /nfs/dbraw/zinc/81/98/01/532819801.db2.gz PQGOSCOKMISAHQ-CYBMUJFWSA-N 1 2 382.258 2.305 20 30 GEEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000272825533 532818113 /nfs/dbraw/zinc/81/81/13/532818113.db2.gz JSJVMBDDHSXFSR-UHFFFAOYSA-N 1 2 398.268 2.324 20 30 GEEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000330512506 532820982 /nfs/dbraw/zinc/82/09/82/532820982.db2.gz SFHZKVVMJNOYDA-AWEZNQCLSA-N 1 2 379.302 2.332 20 30 GEEDLO C=CCOC(=O)c1sc(NC(=O)Cn2cc[nH+]c2)c(C(=O)OCC)c1C ZINC000010809578 212096292 /nfs/dbraw/zinc/09/62/92/212096292.db2.gz CIVCNEXOBRGJRQ-UHFFFAOYSA-N 1 2 377.422 2.411 20 30 GEEDLO CCN1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000332281448 532851307 /nfs/dbraw/zinc/85/13/07/532851307.db2.gz HYYJYQVGWRRIQZ-OAHLLOKOSA-N 1 2 379.873 2.002 20 30 GEEDLO CN1CC[N@H+](C)C[C@H]1c1noc(COc2cccc(Br)c2C#N)n1 ZINC000351078551 532887212 /nfs/dbraw/zinc/88/72/12/532887212.db2.gz BADXZLWLZTVTCA-ZDUSSCGKSA-N 1 2 392.257 2.201 20 30 GEEDLO CN1CC[N@@H+](C)C[C@H]1c1noc(COc2cccc(Br)c2C#N)n1 ZINC000351078551 532887216 /nfs/dbraw/zinc/88/72/16/532887216.db2.gz BADXZLWLZTVTCA-ZDUSSCGKSA-N 1 2 392.257 2.201 20 30 GEEDLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000292919375 532920034 /nfs/dbraw/zinc/92/00/34/532920034.db2.gz XXSKCDPUMZSXDL-DZGCQCFKSA-N 1 2 383.901 2.347 20 30 GEEDLO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000292919385 532920083 /nfs/dbraw/zinc/92/00/83/532920083.db2.gz XXSKCDPUMZSXDL-UKRRQHHQSA-N 1 2 383.901 2.347 20 30 GEEDLO CC(C)(C#N)CCS(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000367704921 532926691 /nfs/dbraw/zinc/92/66/91/532926691.db2.gz LWIXNYZIEWNMIC-KRWDZBQOSA-N 1 2 381.567 2.463 20 30 GEEDLO CC(C)(C#N)CCS(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000367704921 532926692 /nfs/dbraw/zinc/92/66/92/532926692.db2.gz LWIXNYZIEWNMIC-KRWDZBQOSA-N 1 2 381.567 2.463 20 30 GEEDLO N#CCCOCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000293642571 532929598 /nfs/dbraw/zinc/92/95/98/532929598.db2.gz XOPCLLFBVUEOOK-UHFFFAOYSA-N 1 2 392.308 2.230 20 30 GEEDLO Clc1cccc(C#CC[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000826353246 607520074 /nfs/dbraw/zinc/52/00/74/607520074.db2.gz HQADJISPVAYAQF-UHFFFAOYSA-N 1 2 379.855 2.089 20 30 GEEDLO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000822801605 606975525 /nfs/dbraw/zinc/97/55/25/606975525.db2.gz KSCCRAQDRZIQMH-IBGZPJMESA-N 1 2 377.427 2.388 20 30 GEEDLO C=CCNC(=O)NC(=O)C[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000451297865 650101846 /nfs/dbraw/zinc/10/18/46/650101846.db2.gz OPGDEVPAPPJQNC-UHFFFAOYSA-N 1 2 376.404 2.353 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000459709449 650430863 /nfs/dbraw/zinc/43/08/63/650430863.db2.gz KZKNRZBTWZYMJJ-ZDUSSCGKSA-N 1 2 384.274 2.466 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000459709449 650430866 /nfs/dbraw/zinc/43/08/66/650430866.db2.gz KZKNRZBTWZYMJJ-ZDUSSCGKSA-N 1 2 384.274 2.466 20 30 GEEDLO C[C@@](C#N)(NC(=O)C[N@H+](CCO)Cc1cc(Br)cs1)C1CC1 ZINC000494250000 650802936 /nfs/dbraw/zinc/80/29/36/650802936.db2.gz FPARCGWKQVGMQR-HNNXBMFYSA-N 1 2 386.315 2.113 20 30 GEEDLO C[C@@](C#N)(NC(=O)C[N@@H+](CCO)Cc1cc(Br)cs1)C1CC1 ZINC000494250000 650802939 /nfs/dbraw/zinc/80/29/39/650802939.db2.gz FPARCGWKQVGMQR-HNNXBMFYSA-N 1 2 386.315 2.113 20 30 GEEDLO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Br)ccc2O)c1C#N ZINC000128170911 643794765 /nfs/dbraw/zinc/79/47/65/643794765.db2.gz XHTBZRYNXSCKLZ-UHFFFAOYSA-N 1 2 378.230 2.154 20 30 GEEDLO CCc1nsc(N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)n1 ZINC000174803593 644383789 /nfs/dbraw/zinc/38/37/89/644383789.db2.gz BVPPYCHIRFAYEG-UHFFFAOYSA-N 1 2 376.511 2.184 20 30 GEEDLO CN(CCCn1cc[nH+]c1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278847515 646557234 /nfs/dbraw/zinc/55/72/34/646557234.db2.gz QCJSHQUGZGBQKJ-UHFFFAOYSA-N 1 2 383.271 2.228 20 30 GEEDLO N#CCC1(O)CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000329963884 647326867 /nfs/dbraw/zinc/32/68/67/647326867.db2.gz QFJHRSTXJFWUGA-OAHLLOKOSA-N 1 2 378.270 2.073 20 30 GEEDLO N#CCc1cccc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000619478340 652060849 /nfs/dbraw/zinc/06/08/49/652060849.db2.gz CMJVLWZNEMQBRZ-UHFFFAOYSA-N 1 2 375.519 2.363 20 30 GEEDLO C=CCOc1c(Cl)cc(C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1OC ZINC000628126989 652452458 /nfs/dbraw/zinc/45/24/58/652452458.db2.gz PPMGZYWJVWLQJI-UHFFFAOYSA-N 1 2 388.917 2.427 20 30 GEEDLO C=CCOc1c(Cl)cc(C[NH+]2CCC(S(=O)(=O)NC)CC2)cc1OC ZINC000628170517 652453936 /nfs/dbraw/zinc/45/39/36/652453936.db2.gz DAHGGPLZZKXAAE-UHFFFAOYSA-N 1 2 388.917 2.427 20 30 GEEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cccc(Br)c2C#N)CC1 ZINC000583785240 652496992 /nfs/dbraw/zinc/49/69/92/652496992.db2.gz UHLWLLAJPMVRCN-LBPRGKRZSA-N 1 2 377.286 2.110 20 30 GEEDLO C#CCNC(=O)CN1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000769916314 653190357 /nfs/dbraw/zinc/19/03/57/653190357.db2.gz PVPDXVCPNMKGHK-SFHVURJKSA-N 1 2 390.325 2.194 20 30 GEEDLO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1nn(C)cc1I ZINC000602684218 653200610 /nfs/dbraw/zinc/20/06/10/653200610.db2.gz MXOJHFUAVWXFOT-NSHDSACASA-N 1 2 388.253 2.213 20 30 GEEDLO C#C[C@H]([NH2+]Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H]1CCCO1 ZINC000775796095 653329661 /nfs/dbraw/zinc/32/96/61/653329661.db2.gz SNGQNSCHARZBJU-IRXDYDNUSA-N 1 2 376.503 2.484 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000786041207 653717873 /nfs/dbraw/zinc/71/78/73/653717873.db2.gz QNSRTEJJLRUYMN-UHFFFAOYSA-N 1 2 380.242 2.447 20 30 GEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)c2ccc(Br)cc2)n1 ZINC000789322759 653771617 /nfs/dbraw/zinc/77/16/17/653771617.db2.gz BIMAYHFAZGKFLK-GOSISDBHSA-N 1 2 392.297 2.461 20 30 GEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)c2ccc(Br)cc2)n1 ZINC000789322759 653771621 /nfs/dbraw/zinc/77/16/21/653771621.db2.gz BIMAYHFAZGKFLK-GOSISDBHSA-N 1 2 392.297 2.461 20 30 GEEDLO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789373756 653772722 /nfs/dbraw/zinc/77/27/22/653772722.db2.gz GPMDPWQHCOQPIA-INIZCTEOSA-N 1 2 383.901 2.242 20 30 GEEDLO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789373756 653772724 /nfs/dbraw/zinc/77/27/24/653772724.db2.gz GPMDPWQHCOQPIA-INIZCTEOSA-N 1 2 383.901 2.242 20 30 GEEDLO COc1ccc(C[NH2+]Cc2c(I)cnn2C)cc1C#N ZINC000865869177 653778335 /nfs/dbraw/zinc/77/83/35/653778335.db2.gz ZJSDTKPBHKPIIX-UHFFFAOYSA-N 1 2 382.205 2.195 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000884062590 653862042 /nfs/dbraw/zinc/86/20/42/653862042.db2.gz VKRDLCOCLOIKSD-ZDUSSCGKSA-N 1 2 379.507 2.285 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](CC)Cc1ccccc1Br ZINC000884165725 653866633 /nfs/dbraw/zinc/86/66/33/653866633.db2.gz NCZGJUXIENXAPU-HIFRSBDPSA-N 1 2 383.286 2.333 20 30 GEEDLO C#C[C@H]([NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@H]1CCCO1 ZINC000794815071 653921163 /nfs/dbraw/zinc/92/11/63/653921163.db2.gz NCMLTPCSBJTBFB-QCZZGDTMSA-N 1 2 377.293 2.472 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898502251 653974457 /nfs/dbraw/zinc/97/44/57/653974457.db2.gz CNCIGAUCUAHVBV-LBPRGKRZSA-N 1 2 384.249 2.250 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898502251 653974460 /nfs/dbraw/zinc/97/44/60/653974460.db2.gz CNCIGAUCUAHVBV-LBPRGKRZSA-N 1 2 384.249 2.250 20 30 GEEDLO Cc1nn(CCS(C)(=O)=O)c(C)c1CO[NH+]=C(N)c1ccc(Cl)cc1 ZINC000797845547 654044166 /nfs/dbraw/zinc/04/41/66/654044166.db2.gz XXXORRUZEUGHQC-UHFFFAOYSA-N 1 2 384.889 2.035 20 30 GEEDLO CC(C)(C)OCCC[NH+]1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1 ZINC000919769038 654192097 /nfs/dbraw/zinc/19/20/97/654192097.db2.gz JERRBGJOUTVZFQ-UHFFFAOYSA-N 1 2 385.555 2.272 20 30 GEEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000801950262 654212793 /nfs/dbraw/zinc/21/27/93/654212793.db2.gz WOUGKQMBFZUEAA-CYBMUJFWSA-N 1 2 386.279 2.445 20 30 GEEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000921321721 654247010 /nfs/dbraw/zinc/24/70/10/654247010.db2.gz JAHMVQQIKVDJIV-DLBZAZTESA-N 1 2 379.551 2.346 20 30 GEEDLO CC(C)(C#N)c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000921321721 654247014 /nfs/dbraw/zinc/24/70/14/654247014.db2.gz JAHMVQQIKVDJIV-DLBZAZTESA-N 1 2 379.551 2.346 20 30 GEEDLO C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H](O)c1ccccc1Br ZINC000832673668 654286186 /nfs/dbraw/zinc/28/61/86/654286186.db2.gz WDLMMIMHOVHKRM-DOTOQJQBSA-N 1 2 380.286 2.223 20 30 GEEDLO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H](O)c1ccccc1Br ZINC000832673668 654286195 /nfs/dbraw/zinc/28/61/95/654286195.db2.gz WDLMMIMHOVHKRM-DOTOQJQBSA-N 1 2 380.286 2.223 20 30 GEEDLO N#Cc1ccc(Br)c(CNc2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC000921939508 654345199 /nfs/dbraw/zinc/34/51/99/654345199.db2.gz RVYSRZVAVXRDJA-UHFFFAOYSA-N 1 2 390.285 2.462 20 30 GEEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2scc(C)c2I)C1 ZINC000923565057 654469394 /nfs/dbraw/zinc/46/93/94/654469394.db2.gz XUOCSNWGRXTJJD-NSHDSACASA-N 1 2 388.274 2.489 20 30 GEEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2scc(C)c2I)C1 ZINC000923565057 654469399 /nfs/dbraw/zinc/46/93/99/654469399.db2.gz XUOCSNWGRXTJJD-NSHDSACASA-N 1 2 388.274 2.489 20 30 GEEDLO N#Cc1cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1Br ZINC000906845284 654478829 /nfs/dbraw/zinc/47/88/29/654478829.db2.gz WDEQKSBOLKMKCW-CYBMUJFWSA-N 1 2 384.299 2.180 20 30 GEEDLO N#Cc1cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1Br ZINC000906845284 654478834 /nfs/dbraw/zinc/47/88/34/654478834.db2.gz WDEQKSBOLKMKCW-CYBMUJFWSA-N 1 2 384.299 2.180 20 30 GEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000907078975 654508247 /nfs/dbraw/zinc/50/82/47/654508247.db2.gz PYJKVSKMXWJJIJ-NVXWUHKLSA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000907078975 654508248 /nfs/dbraw/zinc/50/82/48/654508248.db2.gz PYJKVSKMXWJJIJ-NVXWUHKLSA-N 1 2 376.869 2.330 20 30 GEEDLO C[NH+](C)CC#CCNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000913516672 654796816 /nfs/dbraw/zinc/79/68/16/654796816.db2.gz ZXVDJSUTWZVIEU-UHFFFAOYSA-N 1 2 382.913 2.108 20 30 GEEDLO N#Cc1cnc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912667 721770876 /nfs/dbraw/zinc/77/08/76/721770876.db2.gz OFLSADLWRJIZFW-FQEVSTJZSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1cnc(Cl)cc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912667 721770879 /nfs/dbraw/zinc/77/08/79/721770879.db2.gz OFLSADLWRJIZFW-FQEVSTJZSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1c(Cl)ccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910177 721775401 /nfs/dbraw/zinc/77/54/01/721775401.db2.gz AMKQCBQJDFKCAH-FQEVSTJZSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1c(Cl)ccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910177 721775404 /nfs/dbraw/zinc/77/54/04/721775404.db2.gz AMKQCBQJDFKCAH-FQEVSTJZSA-N 1 2 399.882 2.109 20 30 GEEDLO COc1cc(C(F)(F)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(C#N)c(Cl)n1 ZINC001165038264 721913210 /nfs/dbraw/zinc/91/32/10/721913210.db2.gz MOBZRFOUEYFJLZ-LBPRGKRZSA-N 1 2 386.830 2.461 20 30 GEEDLO C=CC[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000157254332 531736357 /nfs/dbraw/zinc/73/63/57/531736357.db2.gz QFTWDWGCTBFAMS-HUUCEWRRSA-N 1 2 377.428 2.284 20 30 GEEDLO C=CC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000157254332 531736363 /nfs/dbraw/zinc/73/63/63/531736363.db2.gz QFTWDWGCTBFAMS-HUUCEWRRSA-N 1 2 377.428 2.284 20 30 GEEDLO Cc1cn2c([nH+]1)CC[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C2 ZINC000121306846 532021577 /nfs/dbraw/zinc/02/15/77/532021577.db2.gz RKISABWTDXFOKF-ZDUSSCGKSA-N 1 2 395.282 2.119 20 30 GEEDLO N#Cc1ccc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(Br)c1 ZINC000122604171 532076953 /nfs/dbraw/zinc/07/69/53/532076953.db2.gz KUGPAZWGYFXUNL-UHFFFAOYSA-N 1 2 391.313 2.455 20 30 GEEDLO N#Cc1ccc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(Br)c1 ZINC000122604171 532076961 /nfs/dbraw/zinc/07/69/61/532076961.db2.gz KUGPAZWGYFXUNL-UHFFFAOYSA-N 1 2 391.313 2.455 20 30 GEEDLO COc1nc(N2CC[NH+](Cc3ccccc3C#N)CC2)ncc1Br ZINC000175867916 532117934 /nfs/dbraw/zinc/11/79/34/532117934.db2.gz VIQFUFSDCLKQKM-UHFFFAOYSA-N 1 2 388.269 2.442 20 30 GEEDLO CC(C)C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1Cl)[NH+]1CCOCC1 ZINC000183456750 532325098 /nfs/dbraw/zinc/32/50/98/532325098.db2.gz GWWFTLJUQFDGCT-HNNXBMFYSA-N 1 2 385.917 2.237 20 30 GEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000184976535 532336493 /nfs/dbraw/zinc/33/64/93/532336493.db2.gz PJYZALCSAWZJMV-OAHLLOKOSA-N 1 2 383.901 2.087 20 30 GEEDLO CCN(CC)S(=O)(=O)c1ccc(CCNc2cc(C)[nH+]cc2C#N)s1 ZINC000425232436 532377740 /nfs/dbraw/zinc/37/77/40/532377740.db2.gz VIJUHVPJXCQFNJ-UHFFFAOYSA-N 1 2 378.523 2.430 20 30 GEEDLO Cc1cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(C#N)c[nH+]1 ZINC000425198691 532371470 /nfs/dbraw/zinc/37/14/70/532371470.db2.gz FYJXCDPHACFVGZ-UHFFFAOYSA-N 1 2 376.869 2.426 20 30 GEEDLO Cc1cn2c([nH+]1)CN(C(=O)COc1cccc(Br)c1C#N)CC2 ZINC000590703244 532382838 /nfs/dbraw/zinc/38/28/38/532382838.db2.gz FKGKLYYRBSJGLD-UHFFFAOYSA-N 1 2 375.226 2.247 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295356407 532437629 /nfs/dbraw/zinc/43/76/29/532437629.db2.gz OPFJNJBGIHXVQC-WBVHZDCISA-N 1 2 382.302 2.469 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295356407 532437633 /nfs/dbraw/zinc/43/76/33/532437633.db2.gz OPFJNJBGIHXVQC-WBVHZDCISA-N 1 2 382.302 2.469 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295356398 532437644 /nfs/dbraw/zinc/43/76/44/532437644.db2.gz OPFJNJBGIHXVQC-NVXWUHKLSA-N 1 2 382.302 2.469 20 30 GEEDLO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295356398 532437648 /nfs/dbraw/zinc/43/76/48/532437648.db2.gz OPFJNJBGIHXVQC-NVXWUHKLSA-N 1 2 382.302 2.469 20 30 GEEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1ccc(Br)cc1C#N ZINC000593153748 532471495 /nfs/dbraw/zinc/47/14/95/532471495.db2.gz UNAMNTBUNHHDSV-CXAGYDPISA-N 1 2 392.297 2.185 20 30 GEEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000282919862 532505355 /nfs/dbraw/zinc/50/53/55/532505355.db2.gz SMYHDYXTLDCHOC-WFASDCNBSA-N 1 2 381.889 2.089 20 30 GEEDLO C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cscn1 ZINC000595668110 532569724 /nfs/dbraw/zinc/56/97/24/532569724.db2.gz LHLPHFQCFLXTDQ-UKRRQHHQSA-N 1 2 375.523 2.264 20 30 GEEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2C)CC1 ZINC000283783198 532556071 /nfs/dbraw/zinc/55/60/71/532556071.db2.gz LGYFQNPVUHLVNA-UHFFFAOYSA-N 1 2 378.249 2.139 20 30 GEEDLO C[C@H](O[NH+]=C(N)[C@H]1CCCO1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000284019717 532573694 /nfs/dbraw/zinc/57/36/94/532573694.db2.gz HZZKOYYXWOAYAF-SMDDNHRTSA-N 1 2 384.274 2.264 20 30 GEEDLO Cc1cc(I)cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)c1C ZINC000565719844 532574762 /nfs/dbraw/zinc/57/47/62/532574762.db2.gz NCJQUDLFTCLUPL-OAHLLOKOSA-N 1 2 385.249 2.482 20 30 GEEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000375710761 532578050 /nfs/dbraw/zinc/57/80/50/532578050.db2.gz IUXRAHNVOQSHSC-OAHLLOKOSA-N 1 2 380.857 2.069 20 30 GEEDLO C=CC[N@@H+](Cc1cccc(I)c1)[C@H]1CCS(=O)(=O)C1 ZINC000284525410 532599661 /nfs/dbraw/zinc/59/96/61/532599661.db2.gz ZNMWQJFBYQGBKG-AWEZNQCLSA-N 1 2 391.274 2.466 20 30 GEEDLO C=CC[N@H+](Cc1cccc(I)c1)[C@H]1CCS(=O)(=O)C1 ZINC000284525410 532599669 /nfs/dbraw/zinc/59/96/69/532599669.db2.gz ZNMWQJFBYQGBKG-AWEZNQCLSA-N 1 2 391.274 2.466 20 30 GEEDLO N#Cc1cc(Br)ccc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597708627 532625976 /nfs/dbraw/zinc/62/59/76/532625976.db2.gz YRJRJLXSPIYWQK-OAHLLOKOSA-N 1 2 378.270 2.258 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000377086003 532641475 /nfs/dbraw/zinc/64/14/75/532641475.db2.gz GKDVIQMBXQUTSA-OAHLLOKOSA-N 1 2 376.400 2.111 20 30 GEEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000377086003 532641482 /nfs/dbraw/zinc/64/14/82/532641482.db2.gz GKDVIQMBXQUTSA-OAHLLOKOSA-N 1 2 376.400 2.111 20 30 GEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CSCCS3)CC2)cc1 ZINC000268068583 532754912 /nfs/dbraw/zinc/75/49/12/532754912.db2.gz BUHKMRQUEHGYEU-QGZVFWFLSA-N 1 2 376.551 2.234 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000411403827 532760137 /nfs/dbraw/zinc/76/01/37/532760137.db2.gz CSKQZHBUPKETOU-GFCCVEGCSA-N 1 2 396.285 2.115 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000411403827 532760140 /nfs/dbraw/zinc/76/01/40/532760140.db2.gz CSKQZHBUPKETOU-GFCCVEGCSA-N 1 2 396.285 2.115 20 30 GEEDLO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH+](CC)CC1 ZINC000411161130 532748530 /nfs/dbraw/zinc/74/85/30/532748530.db2.gz YESLRBXCNXIQSN-UHFFFAOYSA-N 1 2 396.285 2.117 20 30 GEEDLO CN(Cc1[nH+]ccn1CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1C#N ZINC000269694407 532786880 /nfs/dbraw/zinc/78/68/80/532786880.db2.gz XZNRXRJCPFLUIO-UHFFFAOYSA-N 1 2 376.335 2.277 20 30 GEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H](c3cncc(Br)c3)C3CC3)C[C@@H]21 ZINC000329392642 532806400 /nfs/dbraw/zinc/80/64/00/532806400.db2.gz UFCSBCSCROSSQA-XHSDSOJGSA-N 1 2 395.301 2.224 20 30 GEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H](c3cncc(Br)c3)C3CC3)C[C@@H]21 ZINC000329392642 532806404 /nfs/dbraw/zinc/80/64/04/532806404.db2.gz UFCSBCSCROSSQA-XHSDSOJGSA-N 1 2 395.301 2.224 20 30 GEEDLO COC(=O)CC[N@H+](Cc1ccc(Br)cc1C#N)CC(OC)OC ZINC000287904028 532813077 /nfs/dbraw/zinc/81/30/77/532813077.db2.gz VBGQPYWEUBTYOM-UHFFFAOYSA-N 1 2 385.258 2.305 20 30 GEEDLO COC(=O)CC[N@@H+](Cc1ccc(Br)cc1C#N)CC(OC)OC ZINC000287904028 532813081 /nfs/dbraw/zinc/81/30/81/532813081.db2.gz VBGQPYWEUBTYOM-UHFFFAOYSA-N 1 2 385.258 2.305 20 30 GEEDLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C3(SC)CC3)c2)CC1 ZINC000330028988 532813913 /nfs/dbraw/zinc/81/39/13/532813913.db2.gz PJIFAMKAWIQCBC-UHFFFAOYSA-N 1 2 383.539 2.496 20 30 GEEDLO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000330943150 532830187 /nfs/dbraw/zinc/83/01/87/532830187.db2.gz HHKORZRGUNRIMP-WCQYABFASA-N 1 2 383.290 2.292 20 30 GEEDLO CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000330943150 532830190 /nfs/dbraw/zinc/83/01/90/532830190.db2.gz HHKORZRGUNRIMP-WCQYABFASA-N 1 2 383.290 2.292 20 30 GEEDLO Cc1ccc(I)cc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000331141593 532834241 /nfs/dbraw/zinc/83/42/41/532834241.db2.gz XKVYUWDNNYTKQC-LBPRGKRZSA-N 1 2 389.237 2.256 20 30 GEEDLO Cc1ccc(I)cc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000331141593 532834244 /nfs/dbraw/zinc/83/42/44/532834244.db2.gz XKVYUWDNNYTKQC-LBPRGKRZSA-N 1 2 389.237 2.256 20 30 GEEDLO COc1ccccc1S(=O)(=O)CCCO[NH+]=C(N)Cc1csc(C)n1 ZINC000274259363 532846394 /nfs/dbraw/zinc/84/63/94/532846394.db2.gz AYBMJEWVLIVERW-UHFFFAOYSA-N 1 2 383.495 2.155 20 30 GEEDLO CN1CC[N@H+](C)C[C@@H]1c1noc(COc2ccc(C#N)c(Br)c2)n1 ZINC000351085480 532887419 /nfs/dbraw/zinc/88/74/19/532887419.db2.gz PVXJWACTUDETJV-CQSZACIVSA-N 1 2 392.257 2.201 20 30 GEEDLO CN1CC[N@@H+](C)C[C@@H]1c1noc(COc2ccc(C#N)c(Br)c2)n1 ZINC000351085480 532887420 /nfs/dbraw/zinc/88/74/20/532887420.db2.gz PVXJWACTUDETJV-CQSZACIVSA-N 1 2 392.257 2.201 20 30 GEEDLO COC(=O)c1cn([C@H]2CC[N@H+](Cc3ccc(Br)cc3C#N)C2)nn1 ZINC000367863592 532928156 /nfs/dbraw/zinc/92/81/56/532928156.db2.gz DQAOKPCOYKEQES-AWEZNQCLSA-N 1 2 390.241 2.146 20 30 GEEDLO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccc(Br)cc3C#N)C2)nn1 ZINC000367863592 532928157 /nfs/dbraw/zinc/92/81/57/532928157.db2.gz DQAOKPCOYKEQES-AWEZNQCLSA-N 1 2 390.241 2.146 20 30 GEEDLO CCCCCCC[NH+]1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736448850 598980682 /nfs/dbraw/zinc/98/06/82/598980682.db2.gz PEKKYUHOONUPAS-UHFFFAOYSA-N 1 2 392.529 2.143 20 30 GEEDLO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000736198142 599309064 /nfs/dbraw/zinc/30/90/64/599309064.db2.gz GNVVBFNIOXRRGI-ZDUSSCGKSA-N 1 2 390.451 2.487 20 30 GEEDLO N#Cc1ccc(N2CCC(Nc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)nc1 ZINC000822829625 599522803 /nfs/dbraw/zinc/52/28/03/599522803.db2.gz APEDKERPHNEVGP-UHFFFAOYSA-N 1 2 397.446 2.184 20 30 GEEDLO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000826183639 607466156 /nfs/dbraw/zinc/46/61/56/607466156.db2.gz VWOSXZXARHUELV-LJQANCHMSA-N 1 2 389.463 2.258 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824040481 608465352 /nfs/dbraw/zinc/46/53/52/608465352.db2.gz QNTYWORCEVAWIO-VFNWGFHPSA-N 1 2 393.495 2.399 20 30 GEEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824040481 608465353 /nfs/dbraw/zinc/46/53/53/608465353.db2.gz QNTYWORCEVAWIO-VFNWGFHPSA-N 1 2 393.495 2.399 20 30 GEEDLO C=CCCOCCCCC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823898806 608580140 /nfs/dbraw/zinc/58/01/40/608580140.db2.gz CAWLPWZSSZXXGM-UHFFFAOYSA-N 1 2 398.511 2.274 20 30 GEEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161839970 644222074 /nfs/dbraw/zinc/22/20/74/644222074.db2.gz CTXNHYUAWSLKEC-CYBMUJFWSA-N 1 2 384.293 2.397 20 30 GEEDLO Cc1cc(Br)cn2cc(CCNC(=O)C3(C#N)CCOCC3)[nH+]c12 ZINC000545410712 650973699 /nfs/dbraw/zinc/97/36/99/650973699.db2.gz ZANYSNSTEHAJMG-UHFFFAOYSA-N 1 2 391.269 2.384 20 30 GEEDLO C=CC[N@@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000268924050 646006594 /nfs/dbraw/zinc/00/65/94/646006594.db2.gz VAZCPXLUQNWULC-CQSZACIVSA-N 1 2 386.901 2.352 20 30 GEEDLO C=CC[N@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000268924050 646006597 /nfs/dbraw/zinc/00/65/97/646006597.db2.gz VAZCPXLUQNWULC-CQSZACIVSA-N 1 2 386.901 2.352 20 30 GEEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330379761 647332973 /nfs/dbraw/zinc/33/29/73/647332973.db2.gz TXSJHTJNCWUIME-LYRGGWFBSA-N 1 2 388.896 2.150 20 30 GEEDLO C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330379761 647332978 /nfs/dbraw/zinc/33/29/78/647332978.db2.gz TXSJHTJNCWUIME-LYRGGWFBSA-N 1 2 388.896 2.150 20 30 GEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330395518 647334795 /nfs/dbraw/zinc/33/47/95/647334795.db2.gz AKDVFJRMGMIWJA-LYRGGWFBSA-N 1 2 388.896 2.293 20 30 GEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000330395518 647334802 /nfs/dbraw/zinc/33/48/02/647334802.db2.gz AKDVFJRMGMIWJA-LYRGGWFBSA-N 1 2 388.896 2.293 20 30 GEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000562048552 651487216 /nfs/dbraw/zinc/48/72/16/651487216.db2.gz HSGQTENRTLEQOK-SJORKVTESA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000562048552 651487218 /nfs/dbraw/zinc/48/72/18/651487218.db2.gz HSGQTENRTLEQOK-SJORKVTESA-N 1 2 376.869 2.330 20 30 GEEDLO C#CCNC(=O)C1CC[NH+](Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000753536924 652410005 /nfs/dbraw/zinc/41/00/05/652410005.db2.gz QHICDPPKNVJQFB-UHFFFAOYSA-N 1 2 389.297 2.367 20 30 GEEDLO Cc1cc(Br)cc2c1NC(=O)C2=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753936158 652421086 /nfs/dbraw/zinc/42/10/86/652421086.db2.gz RXGCRLRMNGVUDG-TXEJJXNPSA-N 1 2 376.258 2.274 20 30 GEEDLO Cc1ncc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)cc1C#N ZINC000581678115 652421743 /nfs/dbraw/zinc/42/17/43/652421743.db2.gz BCOHMKQZLLUTQP-KRWDZBQOSA-N 1 2 376.869 2.250 20 30 GEEDLO N#CC[C@]1(O)CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000592847360 652604851 /nfs/dbraw/zinc/60/48/51/652604851.db2.gz XPCWHNQKFYCENP-AEFFLSMTSA-N 1 2 392.297 2.463 20 30 GEEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2c(F)cc(F)cc2Br)nn1 ZINC000640896420 653145001 /nfs/dbraw/zinc/14/50/01/653145001.db2.gz XLASKWYICDLZKU-UHFFFAOYSA-N 1 2 398.211 2.070 20 30 GEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)C1CC1 ZINC000602880696 653211288 /nfs/dbraw/zinc/21/12/88/653211288.db2.gz IFRFGJUKLSOWSS-PBHICJAKSA-N 1 2 393.285 2.106 20 30 GEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1)C1CC1 ZINC000602880696 653211295 /nfs/dbraw/zinc/21/12/95/653211295.db2.gz IFRFGJUKLSOWSS-PBHICJAKSA-N 1 2 393.285 2.106 20 30 GEEDLO C#C[C@@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)c1ccc(Br)cc1 ZINC000836348944 653346211 /nfs/dbraw/zinc/34/62/11/653346211.db2.gz ITLDCNFCSAOBSX-CZUORRHYSA-N 1 2 380.286 2.143 20 30 GEEDLO C#C[C@@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)c1ccc(Br)cc1 ZINC000836348944 653346212 /nfs/dbraw/zinc/34/62/12/653346212.db2.gz ITLDCNFCSAOBSX-CZUORRHYSA-N 1 2 380.286 2.143 20 30 GEEDLO CN(C)c1ncc(C=[NH+]Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1C ZINC000811638045 653399768 /nfs/dbraw/zinc/39/97/68/653399768.db2.gz FJYWGXKOPPJHLZ-UHFFFAOYSA-N 1 2 375.376 2.226 20 30 GEEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000840761103 653693075 /nfs/dbraw/zinc/69/30/75/653693075.db2.gz QJERLTXZXNPOMX-SECBINFHSA-N 1 2 376.182 2.082 20 30 GEEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000840761103 653693079 /nfs/dbraw/zinc/69/30/79/653693079.db2.gz QJERLTXZXNPOMX-SECBINFHSA-N 1 2 376.182 2.082 20 30 GEEDLO C[NH+]1CCN(N=Cc2ccc(Cl)c(I)c2O)CC1 ZINC000788699570 653763714 /nfs/dbraw/zinc/76/37/14/653763714.db2.gz WZDMGTGOCDGDHB-UHFFFAOYSA-N 1 2 379.629 2.232 20 30 GEEDLO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789776177 653781158 /nfs/dbraw/zinc/78/11/58/653781158.db2.gz YIYYGMSWCTYAFB-HNNXBMFYSA-N 1 2 382.913 2.352 20 30 GEEDLO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000789776177 653781161 /nfs/dbraw/zinc/78/11/61/653781161.db2.gz YIYYGMSWCTYAFB-HNNXBMFYSA-N 1 2 382.913 2.352 20 30 GEEDLO COc1cc(C=NNc2[nH+]ccn2C)cc(I)c1OC ZINC000790299534 653789091 /nfs/dbraw/zinc/78/90/91/653789091.db2.gz DVZLBDDIOVQIKV-UHFFFAOYSA-N 1 2 386.193 2.488 20 30 GEEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000791092461 653803267 /nfs/dbraw/zinc/80/32/67/653803267.db2.gz BERQSCDIZARHLP-AWEZNQCLSA-N 1 2 389.253 2.213 20 30 GEEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1noc(-c2cccc(Br)c2)n1 ZINC000791092461 653803269 /nfs/dbraw/zinc/80/32/69/653803269.db2.gz BERQSCDIZARHLP-AWEZNQCLSA-N 1 2 389.253 2.213 20 30 GEEDLO C#CCNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000792768213 653853035 /nfs/dbraw/zinc/85/30/35/653853035.db2.gz YCNTYURXIZWVIP-OAHLLOKOSA-N 1 2 397.260 2.188 20 30 GEEDLO C#CCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000792768213 653853036 /nfs/dbraw/zinc/85/30/36/653853036.db2.gz YCNTYURXIZWVIP-OAHLLOKOSA-N 1 2 397.260 2.188 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000884075253 653862435 /nfs/dbraw/zinc/86/24/35/653862435.db2.gz RNIPQVUQKIGMCG-HNNXBMFYSA-N 1 2 381.270 2.387 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(Br)cc1Cl ZINC000884106160 653863992 /nfs/dbraw/zinc/86/39/92/653863992.db2.gz INRTUDPXGIOUTO-LBPRGKRZSA-N 1 2 375.650 2.165 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)c1cccc(Br)c1 ZINC000884118285 653864655 /nfs/dbraw/zinc/86/46/55/653864655.db2.gz ANUDNEAMQAKRRL-AWEZNQCLSA-N 1 2 383.286 2.290 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](CC)Cc1ccc(Br)cc1 ZINC000884416424 653876116 /nfs/dbraw/zinc/87/61/16/653876116.db2.gz BDJCJFKLHGUUBV-GJZGRUSLSA-N 1 2 383.286 2.333 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(OC)c(Br)cc1Cl ZINC000884414544 653876143 /nfs/dbraw/zinc/87/61/43/653876143.db2.gz VPBLXAWAXGZFDS-JTQLQIEISA-N 1 2 391.649 2.496 20 30 GEEDLO Cc1c2c(ccc1Br)C(=NNC1=[NH+][C@@H]3CCCC[C@@H]3N1)C(=O)N2 ZINC000848407555 653974815 /nfs/dbraw/zinc/97/48/15/653974815.db2.gz RKZABMKBXCJBMB-TXEJJXNPSA-N 1 2 376.258 2.274 20 30 GEEDLO Cc1c2c(ccc1Br)C(=NNC1=[NH+][C@H]3CCCC[C@@H]3N1)C(=O)N2 ZINC000848407554 653974867 /nfs/dbraw/zinc/97/48/67/653974867.db2.gz RKZABMKBXCJBMB-RYUDHWBXSA-N 1 2 376.258 2.274 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2C(C)=O)CC1 ZINC000795916223 653977155 /nfs/dbraw/zinc/97/71/55/653977155.db2.gz KJZMBGOYZKSIFF-UHFFFAOYSA-N 1 2 393.281 2.198 20 30 GEEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C)C[NH+]1CCOCC1 ZINC000869581279 654106614 /nfs/dbraw/zinc/10/66/14/654106614.db2.gz QMUWCMGJOURTPH-KGLIPLIRSA-N 1 2 376.881 2.286 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccccc2Cl)N(C[C@H]2CC[N@@H+]2C)C1=O ZINC000901523177 654129049 /nfs/dbraw/zinc/12/90/49/654129049.db2.gz VCENDPVEICEFCB-RISCZKNCSA-N 1 2 380.901 2.112 20 30 GEEDLO CNC(=O)CC1SC(=Nc2ccccc2Cl)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000901523177 654129051 /nfs/dbraw/zinc/12/90/51/654129051.db2.gz VCENDPVEICEFCB-RISCZKNCSA-N 1 2 380.901 2.112 20 30 GEEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000921437630 654267666 /nfs/dbraw/zinc/26/76/66/654267666.db2.gz CKBLHCHJJDAFDF-UHFFFAOYSA-N 1 2 380.363 2.100 20 30 GEEDLO C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H](O)c1ccccc1Br ZINC000832673670 654286353 /nfs/dbraw/zinc/28/63/53/654286353.db2.gz WDLMMIMHOVHKRM-RDJZCZTQSA-N 1 2 380.286 2.223 20 30 GEEDLO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H](O)c1ccccc1Br ZINC000832673670 654286354 /nfs/dbraw/zinc/28/63/54/654286354.db2.gz WDLMMIMHOVHKRM-RDJZCZTQSA-N 1 2 380.286 2.223 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])Cc1nc(Cc2cc(Br)ccc2F)no1 ZINC000904101930 654301679 /nfs/dbraw/zinc/30/16/79/654301679.db2.gz WHWALFGFOHQARW-LBPRGKRZSA-N 1 2 384.205 2.161 20 30 GEEDLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000892045191 654326575 /nfs/dbraw/zinc/32/65/75/654326575.db2.gz CVWBUBJXGZTDJZ-UHFFFAOYSA-N 1 2 381.445 2.408 20 30 GEEDLO C[C@@](O)(C[NH+]1CCC(CNC(=O)C(F)(F)F)CC1)C(F)(F)C(F)(F)F ZINC000930309263 654705594 /nfs/dbraw/zinc/70/55/94/654705594.db2.gz QECRLXWFKBSLLH-SNVBAGLBSA-N 1 2 386.283 2.326 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2c(cc1C#N)CCCC2 ZINC001164701165 719867986 /nfs/dbraw/zinc/86/79/86/719867986.db2.gz FPIIFVKYVQPJFC-PGRDOPGGSA-N 1 2 398.507 2.065 20 30 GEEDLO N#Cc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164913318 721771071 /nfs/dbraw/zinc/77/10/71/721771071.db2.gz WONCDXLXBLAJNO-FQEVSTJZSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1Cl ZINC001164913318 721771074 /nfs/dbraw/zinc/77/10/74/721771074.db2.gz WONCDXLXBLAJNO-FQEVSTJZSA-N 1 2 399.882 2.109 20 30 GEEDLO N#Cc1ccc(F)c(CS(=O)(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000160191913 531808857 /nfs/dbraw/zinc/80/88/57/531808857.db2.gz YEZGXPKZOYGCKA-UHFFFAOYSA-N 1 2 379.482 2.406 20 30 GEEDLO CC(C)CNC(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120992175 532007960 /nfs/dbraw/zinc/00/79/60/532007960.db2.gz RDKKIXIMQOWEBV-QGZVFWFLSA-N 1 2 393.329 2.404 20 30 GEEDLO CC#CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000121367253 532025116 /nfs/dbraw/zinc/02/51/16/532025116.db2.gz VNRUJIVCPIVALE-UHFFFAOYSA-N 1 2 377.329 2.230 20 30 GEEDLO CC#CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000121367253 532025119 /nfs/dbraw/zinc/02/51/19/532025119.db2.gz VNRUJIVCPIVALE-UHFFFAOYSA-N 1 2 377.329 2.230 20 30 GEEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000173864634 532039157 /nfs/dbraw/zinc/03/91/57/532039157.db2.gz DKZYKCRXZAQENG-UHFFFAOYSA-N 1 2 379.960 2.355 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000180045053 532255191 /nfs/dbraw/zinc/25/51/91/532255191.db2.gz CCKNVQHTEQWPEJ-OAHLLOKOSA-N 1 2 383.901 2.087 20 30 GEEDLO CCC[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1CCOC ZINC000185573795 532338014 /nfs/dbraw/zinc/33/80/14/532338014.db2.gz GPTRQNYUZXDNMD-HNNXBMFYSA-N 1 2 385.917 2.333 20 30 GEEDLO CCC[C@H]1CN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC[N@H+]1CCOC ZINC000185573795 532338015 /nfs/dbraw/zinc/33/80/15/532338015.db2.gz GPTRQNYUZXDNMD-HNNXBMFYSA-N 1 2 385.917 2.333 20 30 GEEDLO CC[N@@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)cc3OC)sc2C1 ZINC000185608468 532338060 /nfs/dbraw/zinc/33/80/60/532338060.db2.gz MHYFMEXDRSLTBQ-UHFFFAOYSA-N 1 2 378.479 2.202 20 30 GEEDLO CC[N@H+]1CCc2nc(NS(=O)(=O)c3ccc(C#N)cc3OC)sc2C1 ZINC000185608468 532338061 /nfs/dbraw/zinc/33/80/61/532338061.db2.gz MHYFMEXDRSLTBQ-UHFFFAOYSA-N 1 2 378.479 2.202 20 30 GEEDLO C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1nccs1 ZINC000184412851 532332524 /nfs/dbraw/zinc/33/25/24/532332524.db2.gz RKJXUGABYDGREF-UONOGXRCSA-N 1 2 375.523 2.264 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)o1 ZINC000516884697 532396125 /nfs/dbraw/zinc/39/61/25/532396125.db2.gz KXQSTZXMUYLOKZ-OAHLLOKOSA-N 1 2 377.491 2.047 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)o1 ZINC000516884697 532396133 /nfs/dbraw/zinc/39/61/33/532396133.db2.gz KXQSTZXMUYLOKZ-OAHLLOKOSA-N 1 2 377.491 2.047 20 30 GEEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000295093320 532402109 /nfs/dbraw/zinc/40/21/09/532402109.db2.gz JOUHAFPYKQHRNZ-LBPRGKRZSA-N 1 2 394.269 2.030 20 30 GEEDLO C=C[C@@H](C)NC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000465140831 532411235 /nfs/dbraw/zinc/41/12/35/532411235.db2.gz PNQNKHJAQDPQRP-CYBMUJFWSA-N 1 2 384.293 2.397 20 30 GEEDLO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000591852520 532425823 /nfs/dbraw/zinc/42/58/23/532425823.db2.gz XKMZBSMEZTVOPT-QLFBSQMISA-N 1 2 382.254 2.365 20 30 GEEDLO C=C[C@H](C(=O)OC)[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000591852520 532425828 /nfs/dbraw/zinc/42/58/28/532425828.db2.gz XKMZBSMEZTVOPT-QLFBSQMISA-N 1 2 382.254 2.365 20 30 GEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000593154647 532472626 /nfs/dbraw/zinc/47/26/26/532472626.db2.gz PNFCHHPXNRIMJS-MRXNPFEDSA-N 1 2 377.242 2.277 20 30 GEEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000565052430 532545692 /nfs/dbraw/zinc/54/56/92/532545692.db2.gz YKQPFMFSFCATAD-MRXNPFEDSA-N 1 2 376.258 2.208 20 30 GEEDLO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1cccc(Br)c1C#N)CC2 ZINC000376369883 532610501 /nfs/dbraw/zinc/61/05/01/532610501.db2.gz WOAYNILMYINDKP-UHFFFAOYSA-N 1 2 381.255 2.030 20 30 GEEDLO CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597866579 532628734 /nfs/dbraw/zinc/62/87/34/532628734.db2.gz ZBNDHDKJABCXHS-UHFFFAOYSA-N 1 2 393.241 2.480 20 30 GEEDLO CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597866579 532628740 /nfs/dbraw/zinc/62/87/40/532628740.db2.gz ZBNDHDKJABCXHS-UHFFFAOYSA-N 1 2 393.241 2.480 20 30 GEEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)CCn2cc[nH+]c2)nc1C ZINC000263683629 532634958 /nfs/dbraw/zinc/63/49/58/532634958.db2.gz OAZMVWLHLJNREQ-UHFFFAOYSA-N 1 2 375.483 2.410 20 30 GEEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccnc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000567009942 532635192 /nfs/dbraw/zinc/63/51/92/532635192.db2.gz HNCGEENVFSQDIC-WMLDXEAASA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccnc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000567009942 532635194 /nfs/dbraw/zinc/63/51/94/532635194.db2.gz HNCGEENVFSQDIC-WMLDXEAASA-N 1 2 376.869 2.330 20 30 GEEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1c(Cl)cccc1Cl ZINC000478227672 532657451 /nfs/dbraw/zinc/65/74/51/532657451.db2.gz BFSVBZUVQDHJSW-UHFFFAOYSA-N 1 2 386.279 2.447 20 30 GEEDLO C=CCN1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Br)c(C)c2)C1=O ZINC000500008468 532731062 /nfs/dbraw/zinc/73/10/62/532731062.db2.gz BOAFSWBQFXAURB-HNNXBMFYSA-N 1 2 380.286 2.415 20 30 GEEDLO C=CCN1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Br)c(C)c2)C1=O ZINC000500008468 532731067 /nfs/dbraw/zinc/73/10/67/532731067.db2.gz BOAFSWBQFXAURB-HNNXBMFYSA-N 1 2 380.286 2.415 20 30 GEEDLO N#Cc1ccc(C[NH+]2CCN(S(=O)(=O)CCc3cccs3)CC2)cc1 ZINC000579912226 532744454 /nfs/dbraw/zinc/74/44/54/532744454.db2.gz HACLOFBRLASXQV-UHFFFAOYSA-N 1 2 375.519 2.310 20 30 GEEDLO CC(C)N(C)C(=O)C[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000411416256 532760861 /nfs/dbraw/zinc/76/08/61/532760861.db2.gz CQRXSQFMNVHZDL-QGZVFWFLSA-N 1 2 393.329 2.498 20 30 GEEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000302100697 532765456 /nfs/dbraw/zinc/76/54/56/532765456.db2.gz UVIVTVMAKPZQKX-AWEZNQCLSA-N 1 2 391.313 2.454 20 30 GEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)C[C@@H]21 ZINC000329537297 532808032 /nfs/dbraw/zinc/80/80/32/532808032.db2.gz BMNJCSGXQVNULP-OFQRWUPVSA-N 1 2 396.285 2.202 20 30 GEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@H]3CCOc4ccc(Br)cc43)C[C@@H]21 ZINC000329537297 532808035 /nfs/dbraw/zinc/80/80/35/532808035.db2.gz BMNJCSGXQVNULP-OFQRWUPVSA-N 1 2 396.285 2.202 20 30 GEEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@@H]21 ZINC000329811863 532812166 /nfs/dbraw/zinc/81/21/66/532812166.db2.gz RTOVFBVXWTYVJO-JKSUJKDBSA-N 1 2 393.285 2.359 20 30 GEEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)C[C@@H]21 ZINC000329811863 532812167 /nfs/dbraw/zinc/81/21/67/532812167.db2.gz RTOVFBVXWTYVJO-JKSUJKDBSA-N 1 2 393.285 2.359 20 30 GEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000272816128 532818270 /nfs/dbraw/zinc/81/82/70/532818270.db2.gz HWXPBIMSVZFQHI-UHFFFAOYSA-N 1 2 375.281 2.265 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1OC ZINC000414557553 532831722 /nfs/dbraw/zinc/83/17/22/532831722.db2.gz LUXMRCUZSODJEK-UKRRQHHQSA-N 1 2 386.286 2.198 20 30 GEEDLO C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1OC ZINC000414557553 532831723 /nfs/dbraw/zinc/83/17/23/532831723.db2.gz LUXMRCUZSODJEK-UKRRQHHQSA-N 1 2 386.286 2.198 20 30 GEEDLO Cc1nsc(N2CC[NH+](C[C@@H](O)COCc3cccs3)CC2)c1C#N ZINC000289518227 532857502 /nfs/dbraw/zinc/85/75/02/532857502.db2.gz RKAQMEWDAMCSLX-CQSZACIVSA-N 1 2 378.523 2.084 20 30 GEEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000290766982 532889002 /nfs/dbraw/zinc/88/90/02/532889002.db2.gz OBBQLWRVPQAKCG-UHFFFAOYSA-N 1 2 377.825 2.316 20 30 GEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1c(Br)cncc1Br ZINC000290932210 532893376 /nfs/dbraw/zinc/89/33/76/532893376.db2.gz SCXNDTCGCULLPR-UHFFFAOYSA-N 1 2 398.120 2.297 20 30 GEEDLO Cn1cc(Br)c(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000293212138 532923414 /nfs/dbraw/zinc/92/34/14/532923414.db2.gz VCUHHQPBLAYUGG-UHFFFAOYSA-N 1 2 388.269 2.012 20 30 GEEDLO N#Cc1ccc(CN2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000737711241 598679419 /nfs/dbraw/zinc/67/94/19/598679419.db2.gz IFOIAVGCFZEWEL-UHFFFAOYSA-N 1 2 377.427 2.195 20 30 GEEDLO COc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000821794433 607387533 /nfs/dbraw/zinc/38/75/33/607387533.db2.gz GSNMQILEQHSLSH-LJQANCHMSA-N 1 2 389.463 2.258 20 30 GEEDLO Cc1sc(NC(=O)C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c(C#N)c1C ZINC000822557063 606200867 /nfs/dbraw/zinc/20/08/67/606200867.db2.gz GGGNEMCNMAIAGP-UHFFFAOYSA-N 1 2 381.465 2.487 20 30 GEEDLO Cc1sc(NC(=O)C[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c(C#N)c1C ZINC000822557063 606200868 /nfs/dbraw/zinc/20/08/68/606200868.db2.gz GGGNEMCNMAIAGP-UHFFFAOYSA-N 1 2 381.465 2.487 20 30 GEEDLO C=CC[N@@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819740060 607100910 /nfs/dbraw/zinc/10/09/10/607100910.db2.gz NBDLFQRINXCNIX-UHFFFAOYSA-N 1 2 398.496 2.468 20 30 GEEDLO C=CC[N@H+](CC(=O)Nc1nnc(C(C)C)s1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000819740060 607100911 /nfs/dbraw/zinc/10/09/11/607100911.db2.gz NBDLFQRINXCNIX-UHFFFAOYSA-N 1 2 398.496 2.468 20 30 GEEDLO N#Cc1ccc(C2=CC[N@H+](CC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826384954 608464364 /nfs/dbraw/zinc/46/43/64/608464364.db2.gz RCLQZOIAYBOFFK-UHFFFAOYSA-N 1 2 385.431 2.466 20 30 GEEDLO N#Cc1ccc(C2=CC[N@@H+](CC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000826384954 608464365 /nfs/dbraw/zinc/46/43/65/608464365.db2.gz RCLQZOIAYBOFFK-UHFFFAOYSA-N 1 2 385.431 2.466 20 30 GEEDLO N#Cc1c(F)cccc1N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826383313 608642962 /nfs/dbraw/zinc/64/29/62/608642962.db2.gz VBMJTMHOAAEBCA-UHFFFAOYSA-N 1 2 381.390 2.339 20 30 GEEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000823914180 609449670 /nfs/dbraw/zinc/44/96/70/609449670.db2.gz CLDDZQAXRBNOLF-UHFFFAOYSA-N 1 2 386.419 2.276 20 30 GEEDLO CC(C)[C@H](CNC(=O)c1cccc(C#N)c1Br)[NH+]1CCOCC1 ZINC000448632142 650018463 /nfs/dbraw/zinc/01/84/63/650018463.db2.gz HAAKATYGUIMZES-HNNXBMFYSA-N 1 2 380.286 2.407 20 30 GEEDLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000450021751 650058311 /nfs/dbraw/zinc/05/83/11/650058311.db2.gz WVLUOXLJWVTSBN-LBPRGKRZSA-N 1 2 394.269 2.030 20 30 GEEDLO C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@@H](C)O1 ZINC000451013289 650080095 /nfs/dbraw/zinc/08/00/95/650080095.db2.gz GCLSVPUZDFNISM-ZIAGYGMSSA-N 1 2 385.917 2.184 20 30 GEEDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451358460 650107155 /nfs/dbraw/zinc/10/71/55/650107155.db2.gz GGLBNZLMAZGIPZ-UWVGGRQHSA-N 1 2 390.278 2.173 20 30 GEEDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451358460 650107156 /nfs/dbraw/zinc/10/71/56/650107156.db2.gz GGLBNZLMAZGIPZ-UWVGGRQHSA-N 1 2 390.278 2.173 20 30 GEEDLO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1Br ZINC000455462880 650305494 /nfs/dbraw/zinc/30/54/94/650305494.db2.gz PHDWHJNSEFHPBL-CQSZACIVSA-N 1 2 379.258 2.305 20 30 GEEDLO N#Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1Br ZINC000455462880 650305496 /nfs/dbraw/zinc/30/54/96/650305496.db2.gz PHDWHJNSEFHPBL-CQSZACIVSA-N 1 2 379.258 2.305 20 30 GEEDLO C[C@@H](c1nnc(SCC(=O)NCC#N)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000108659328 643280663 /nfs/dbraw/zinc/28/06/63/643280663.db2.gz HTJQWZXAULBHLL-NSHDSACASA-N 1 2 378.889 2.275 20 30 GEEDLO CN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000111351404 643336614 /nfs/dbraw/zinc/33/66/14/643336614.db2.gz CZVYNJAOKPCNCP-HNNXBMFYSA-N 1 2 388.896 2.123 20 30 GEEDLO CN(CCC#N)S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000111351404 643336619 /nfs/dbraw/zinc/33/66/19/643336619.db2.gz CZVYNJAOKPCNCP-HNNXBMFYSA-N 1 2 388.896 2.123 20 30 GEEDLO N#Cc1ccc(NC(=O)C[N@H+](CCO)CCOCC(F)(F)F)cc1Cl ZINC000112982718 643379491 /nfs/dbraw/zinc/37/94/91/643379491.db2.gz VCZRZHKNXJMJJZ-UHFFFAOYSA-N 1 2 379.766 2.023 20 30 GEEDLO N#Cc1ccc(NC(=O)C[N@@H+](CCO)CCOCC(F)(F)F)cc1Cl ZINC000112982718 643379497 /nfs/dbraw/zinc/37/94/97/643379497.db2.gz VCZRZHKNXJMJJZ-UHFFFAOYSA-N 1 2 379.766 2.023 20 30 GEEDLO C#CCSCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000133811894 643898520 /nfs/dbraw/zinc/89/85/20/643898520.db2.gz XGELVNVXEBVMSC-IAGOWNOFSA-N 1 2 381.929 2.377 20 30 GEEDLO C#CCSCCNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000133811894 643898523 /nfs/dbraw/zinc/89/85/23/643898523.db2.gz XGELVNVXEBVMSC-IAGOWNOFSA-N 1 2 381.929 2.377 20 30 GEEDLO C[NH+]=C(NC[C@H](C)Oc1ccccc1Cl)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158588505 644150019 /nfs/dbraw/zinc/15/00/19/644150019.db2.gz BWUNFHQSJTVDRF-ZDUSSCGKSA-N 1 2 387.933 2.192 20 30 GEEDLO C=C(Br)CNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000171199096 644316467 /nfs/dbraw/zinc/31/64/67/644316467.db2.gz FNPABYRQCZZTFK-UHFFFAOYSA-N 1 2 398.301 2.105 20 30 GEEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000173855255 644362103 /nfs/dbraw/zinc/36/21/03/644362103.db2.gz UMUWWQNKELDRLO-CABCVRRESA-N 1 2 378.314 2.266 20 30 GEEDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@H]1C ZINC000408040109 647921066 /nfs/dbraw/zinc/92/10/66/647921066.db2.gz CZEZIKZFGSBHRE-NEPJUHHUSA-N 1 2 386.315 2.424 20 30 GEEDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2cc(Br)cc(C#N)c2)C[C@H]1C ZINC000408040109 647921069 /nfs/dbraw/zinc/92/10/69/647921069.db2.gz CZEZIKZFGSBHRE-NEPJUHHUSA-N 1 2 386.315 2.424 20 30 GEEDLO COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000425212027 648671905 /nfs/dbraw/zinc/67/19/05/648671905.db2.gz YXPOWMMXLUEAEC-UHFFFAOYSA-N 1 2 385.917 2.137 20 30 GEEDLO Cc1[nH+]cc(CN=Nc2nccn(C)c2=O)n1-c1ccc(Br)cc1 ZINC000748085867 652191388 /nfs/dbraw/zinc/19/13/88/652191388.db2.gz OOIVGQNMUIQDDF-UHFFFAOYSA-N 1 2 387.241 2.483 20 30 GEEDLO N#Cc1csc(C[NH2+]CC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1 ZINC000589311689 652565363 /nfs/dbraw/zinc/56/53/63/652565363.db2.gz WQUMWRFJGXWKHO-UHFFFAOYSA-N 1 2 375.885 2.107 20 30 GEEDLO N#CC1(C[C@H](O)C[N@@H+]2CCc3nccc(Br)c3C2)CCOCC1 ZINC000598948578 652842223 /nfs/dbraw/zinc/84/22/23/652842223.db2.gz HKNXWEKDXYTYKY-ZDUSSCGKSA-N 1 2 380.286 2.274 20 30 GEEDLO N#CC1(C[C@H](O)C[N@H+]2CCc3nccc(Br)c3C2)CCOCC1 ZINC000598948578 652842226 /nfs/dbraw/zinc/84/22/26/652842226.db2.gz HKNXWEKDXYTYKY-ZDUSSCGKSA-N 1 2 380.286 2.274 20 30 GEEDLO C=CC[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000639531700 652941058 /nfs/dbraw/zinc/94/10/58/652941058.db2.gz OCILOHGPPVKDEM-LSDHHAIUSA-N 1 2 394.320 2.408 20 30 GEEDLO C=CC[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000639531700 652941060 /nfs/dbraw/zinc/94/10/60/652941060.db2.gz OCILOHGPPVKDEM-LSDHHAIUSA-N 1 2 394.320 2.408 20 30 GEEDLO C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1)C1CC1 ZINC000602881136 653211267 /nfs/dbraw/zinc/21/12/67/653211267.db2.gz IFRFGJUKLSOWSS-YOEHRIQHSA-N 1 2 393.285 2.106 20 30 GEEDLO C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1)C1CC1 ZINC000602881136 653211273 /nfs/dbraw/zinc/21/12/73/653211273.db2.gz IFRFGJUKLSOWSS-YOEHRIQHSA-N 1 2 393.285 2.106 20 30 GEEDLO C#CCC[NH+]1CCN(C(=O)c2c(O)cnc3c(Br)cccc32)CC1 ZINC000810202518 653330976 /nfs/dbraw/zinc/33/09/76/653330976.db2.gz DGBQBWRDQJGMQI-UHFFFAOYSA-N 1 2 388.265 2.484 20 30 GEEDLO N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000857977022 653345814 /nfs/dbraw/zinc/34/58/14/653345814.db2.gz QEQWHOWOUYASFX-CQSZACIVSA-N 1 2 386.253 2.215 20 30 GEEDLO C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc(C#N)c1O ZINC000866280856 653789742 /nfs/dbraw/zinc/78/97/42/653789742.db2.gz DKBIAJHNOYBHRQ-JTQLQIEISA-N 1 2 377.388 2.228 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(c2cccc(Br)c2)CC1 ZINC000884138108 653865678 /nfs/dbraw/zinc/86/56/78/653865678.db2.gz DXXWPALBMXVBNO-AWEZNQCLSA-N 1 2 381.270 2.044 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000884207065 653867838 /nfs/dbraw/zinc/86/78/38/653867838.db2.gz LNSJNPYRBKXXIY-ZDUSSCGKSA-N 1 2 383.901 2.278 20 30 GEEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(Cc1csc(Br)c1)C1CC1 ZINC000884378418 653874350 /nfs/dbraw/zinc/87/43/50/653874350.db2.gz RTIZGUKWXOXIPJ-LBPRGKRZSA-N 1 2 387.299 2.448 20 30 GEEDLO Cn1c(CC#N)nn(CN2CC[NH+](Cc3cccc(Cl)c3)CC2)c1=S ZINC000794617438 653913590 /nfs/dbraw/zinc/91/35/90/653913590.db2.gz XQUJTKNHEMVDBC-UHFFFAOYSA-N 1 2 376.917 2.446 20 30 GEEDLO CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ncc(C[NH+](C)C)s2)cc1 ZINC000794696617 653916872 /nfs/dbraw/zinc/91/68/72/653916872.db2.gz VHCAFCXDQHDTGV-MDZDMXLPSA-N 1 2 379.507 2.351 20 30 GEEDLO C#CC[NH+]1CCC(C(=O)OCC(=O)Cc2ccc(Br)cc2)CC1 ZINC000795512450 653956811 /nfs/dbraw/zinc/95/68/11/653956811.db2.gz POEHUBFLSPTRDL-UHFFFAOYSA-N 1 2 378.266 2.449 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898502250 653974292 /nfs/dbraw/zinc/97/42/92/653974292.db2.gz CNCIGAUCUAHVBV-GFCCVEGCSA-N 1 2 384.249 2.250 20 30 GEEDLO N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898502250 653974297 /nfs/dbraw/zinc/97/42/97/653974297.db2.gz CNCIGAUCUAHVBV-GFCCVEGCSA-N 1 2 384.249 2.250 20 30 GEEDLO C#CCC[NH+]1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 ZINC000849372569 654016927 /nfs/dbraw/zinc/01/69/27/654016927.db2.gz QPFDYVHEBRRKFI-UHFFFAOYSA-N 1 2 389.290 2.059 20 30 GEEDLO CNC(=O)CC1SC(=Nc2cccc(Cl)c2)N(C[C@H]2CC[N@@H+]2C)C1=O ZINC000901542161 654130142 /nfs/dbraw/zinc/13/01/42/654130142.db2.gz HZLYYFQBZPIBTM-KGLIPLIRSA-N 1 2 380.901 2.112 20 30 GEEDLO CNC(=O)CC1SC(=Nc2cccc(Cl)c2)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000901542161 654130146 /nfs/dbraw/zinc/13/01/46/654130146.db2.gz HZLYYFQBZPIBTM-KGLIPLIRSA-N 1 2 380.901 2.112 20 30 GEEDLO C#C[C@@H](NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000852361035 654235864 /nfs/dbraw/zinc/23/58/64/654235864.db2.gz REWSIBNLHIYRFR-IAGOWNOFSA-N 1 2 392.297 2.240 20 30 GEEDLO N#Cc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)cc1Br ZINC000905464770 654359133 /nfs/dbraw/zinc/35/91/33/654359133.db2.gz JFAJJPWDXOJEJJ-ZBFHGGJFSA-N 1 2 394.269 2.139 20 30 GEEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000928646767 654653966 /nfs/dbraw/zinc/65/39/66/654653966.db2.gz MANWLGDMUKANRF-INIZCTEOSA-N 1 2 380.286 2.090 20 30 GEEDLO CCN1OC[C@H]([NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O ZINC000932949688 654796400 /nfs/dbraw/zinc/79/64/00/654796400.db2.gz QALLAWATZVBPEA-PRJMDXOYSA-N 1 2 382.251 2.252 20 30 GEEDLO N#Cc1cc(CS(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cs1 ZINC000913963633 654818828 /nfs/dbraw/zinc/81/88/28/654818828.db2.gz HAXRQOZKUOGJRI-UHFFFAOYSA-N 1 2 381.548 2.371 20 30 GEEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(C)c1C#N ZINC001164703953 719841045 /nfs/dbraw/zinc/84/10/45/719841045.db2.gz ROEZPSHYWHSTIN-KUHUBIRLSA-N 1 2 392.887 2.148 20 30 GEEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)c(C#N)cc1Cl ZINC001164697502 719878832 /nfs/dbraw/zinc/87/88/32/719878832.db2.gz CFDICUAKEBEUQB-HNAYVOBHSA-N 1 2 392.887 2.148 20 30 GEEDLO C=CCN(Cc1cc(Br)ccc1F)C[C@H](O)C[NH+]1CCOCC1 ZINC000160534167 531811127 /nfs/dbraw/zinc/81/11/27/531811127.db2.gz KJEOTCFAYURURI-MRXNPFEDSA-N 1 2 387.293 2.269 20 30 GEEDLO N#CCCCC[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000058340389 531830864 /nfs/dbraw/zinc/83/08/64/531830864.db2.gz CKVBCCWRGQIMTA-UHFFFAOYSA-N 1 2 386.315 2.449 20 30 GEEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120981408 532005880 /nfs/dbraw/zinc/00/58/80/532005880.db2.gz SMJOPPWXLIHIAI-DYVFJYSZSA-N 1 2 391.313 2.298 20 30 GEEDLO N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)ccc1Cl ZINC000173896396 532040546 /nfs/dbraw/zinc/04/05/46/532040546.db2.gz KJHRNDBDZXCIEH-OAHLLOKOSA-N 1 2 383.901 2.087 20 30 GEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121759434 532045578 /nfs/dbraw/zinc/04/55/78/532045578.db2.gz NDQSZPXUUWQDIV-SJORKVTESA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000121759434 532045583 /nfs/dbraw/zinc/04/55/83/532045583.db2.gz NDQSZPXUUWQDIV-SJORKVTESA-N 1 2 376.869 2.330 20 30 GEEDLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@@H+]1CCOC ZINC000180241748 532262697 /nfs/dbraw/zinc/26/26/97/532262697.db2.gz YEULFOFYWCAPOV-OAHLLOKOSA-N 1 2 385.917 2.333 20 30 GEEDLO CCC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC[N@H+]1CCOC ZINC000180241748 532262702 /nfs/dbraw/zinc/26/27/02/532262702.db2.gz YEULFOFYWCAPOV-OAHLLOKOSA-N 1 2 385.917 2.333 20 30 GEEDLO Cc1ccc(Br)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1 ZINC000151228750 532308495 /nfs/dbraw/zinc/30/84/95/532308495.db2.gz RILUDUAASWXECH-UHFFFAOYSA-N 1 2 380.286 2.446 20 30 GEEDLO CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000518942855 532451022 /nfs/dbraw/zinc/45/10/22/532451022.db2.gz CHPGRLFTAQLMRZ-UHFFFAOYSA-N 1 2 393.241 2.480 20 30 GEEDLO C[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000593457478 532482673 /nfs/dbraw/zinc/48/26/73/532482673.db2.gz YDQJJHXQTCYRQI-OLZOCXBDSA-N 1 2 380.286 2.089 20 30 GEEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000594492262 532512143 /nfs/dbraw/zinc/51/21/43/532512143.db2.gz GJKBKSTYENGTQI-OAHLLOKOSA-N 1 2 383.901 2.087 20 30 GEEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000565052429 532545520 /nfs/dbraw/zinc/54/55/20/532545520.db2.gz YKQPFMFSFCATAD-INIZCTEOSA-N 1 2 376.258 2.208 20 30 GEEDLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccco1 ZINC000432940562 532550854 /nfs/dbraw/zinc/55/08/54/532550854.db2.gz YFUZVCNHBWVVQV-CQSZACIVSA-N 1 2 398.282 2.495 20 30 GEEDLO CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432855077 532547044 /nfs/dbraw/zinc/54/70/44/532547044.db2.gz UMBQWTMDNHFPBQ-UHFFFAOYSA-N 1 2 395.282 2.260 20 30 GEEDLO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1=O ZINC000500017232 532730252 /nfs/dbraw/zinc/73/02/52/532730252.db2.gz IXLLACQKABAQJD-HOTGVXAUSA-N 1 2 392.297 2.273 20 30 GEEDLO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3cccc(Br)c3)C2=O)C1=O ZINC000500017232 532730255 /nfs/dbraw/zinc/73/02/55/532730255.db2.gz IXLLACQKABAQJD-HOTGVXAUSA-N 1 2 392.297 2.273 20 30 GEEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000299652795 532732321 /nfs/dbraw/zinc/73/23/21/532732321.db2.gz LBEFBIAFJWMDFE-IRXDYDNUSA-N 1 2 391.313 2.300 20 30 GEEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CSCCS3)CC2)cc1 ZINC000268068582 532755248 /nfs/dbraw/zinc/75/52/48/532755248.db2.gz BUHKMRQUEHGYEU-KRWDZBQOSA-N 1 2 376.551 2.234 20 30 GEEDLO CC#CCCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000542738660 532778417 /nfs/dbraw/zinc/77/84/17/532778417.db2.gz SULXNTAAGQAQDI-UHFFFAOYSA-N 1 2 396.304 2.235 20 30 GEEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000302100698 532766005 /nfs/dbraw/zinc/76/60/05/532766005.db2.gz UVIVTVMAKPZQKX-CQSZACIVSA-N 1 2 391.313 2.454 20 30 GEEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000451604493 532766622 /nfs/dbraw/zinc/76/66/22/532766622.db2.gz BBBRXUJLCBGVJR-ZDUSSCGKSA-N 1 2 381.889 2.342 20 30 GEEDLO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000509432911 532769775 /nfs/dbraw/zinc/76/97/75/532769775.db2.gz VRVCFLSSLQPJDD-DOMZBBRYSA-N 1 2 381.889 2.231 20 30 GEEDLO C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@H](C)S1(=O)=O ZINC000329597861 532809324 /nfs/dbraw/zinc/80/93/24/532809324.db2.gz CRCOHBBHLRVCRD-QLFBSQMISA-N 1 2 385.555 2.306 20 30 GEEDLO COCc1c(Br)cccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329942149 532813428 /nfs/dbraw/zinc/81/34/28/532813428.db2.gz VIFVHYJKZQNTTF-CABCVRRESA-N 1 2 384.274 2.156 20 30 GEEDLO COCc1c(Br)cccc1NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329942149 532813429 /nfs/dbraw/zinc/81/34/29/532813429.db2.gz VIFVHYJKZQNTTF-CABCVRRESA-N 1 2 384.274 2.156 20 30 GEEDLO C=CCCCCNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000288703527 532835573 /nfs/dbraw/zinc/83/55/73/532835573.db2.gz YUFKFAJXMWVTFI-UHFFFAOYSA-N 1 2 393.285 2.494 20 30 GEEDLO Cn1cc[nH+]c1[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CCN1C ZINC000332355313 532852791 /nfs/dbraw/zinc/85/27/91/532852791.db2.gz UAXPQZPDUAIASV-CQSZACIVSA-N 1 2 388.269 2.183 20 30 GEEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292857431 532919343 /nfs/dbraw/zinc/91/93/43/532919343.db2.gz CEWMKDIIPPTQPJ-INIZCTEOSA-N 1 2 376.258 2.242 20 30 GEEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292857431 532919344 /nfs/dbraw/zinc/91/93/44/532919344.db2.gz CEWMKDIIPPTQPJ-INIZCTEOSA-N 1 2 376.258 2.242 20 30 GEEDLO N#C[C@H]1CC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1 ZINC000293432486 532926899 /nfs/dbraw/zinc/92/68/99/532926899.db2.gz JJFGJCCPGJJOMN-ZFWWWQNUSA-N 1 2 398.326 2.448 20 30 GEEDLO N#Cc1ccc(C[NH+]2CCN(Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822826080 606960119 /nfs/dbraw/zinc/96/01/19/606960119.db2.gz UIKMOAVIWMSNNS-UHFFFAOYSA-N 1 2 377.427 2.195 20 30 GEEDLO C[C@H](CNC(=O)COc1cccc(Br)c1C#N)Cn1cc[nH+]c1 ZINC000449959628 650056729 /nfs/dbraw/zinc/05/67/29/650056729.db2.gz MTZRXSMYIHUVGC-GFCCVEGCSA-N 1 2 377.242 2.349 20 30 GEEDLO C=CCN1CC[C@@H]([NH+]2CCN(Cc3cc(Br)ccc3F)CC2)C1=O ZINC000482724683 650667465 /nfs/dbraw/zinc/66/74/65/650667465.db2.gz MXGVUQWAZRZFBE-QGZVFWFLSA-N 1 2 396.304 2.493 20 30 GEEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cccc(Br)c1C#N ZINC000528131531 650685783 /nfs/dbraw/zinc/68/57/83/650685783.db2.gz QNDVYPFSHRTBEE-QGZVFWFLSA-N 1 2 380.286 2.348 20 30 GEEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cccc(Br)c1C#N ZINC000528131531 650685785 /nfs/dbraw/zinc/68/57/85/650685785.db2.gz QNDVYPFSHRTBEE-QGZVFWFLSA-N 1 2 380.286 2.348 20 30 GEEDLO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000245618832 645462758 /nfs/dbraw/zinc/46/27/58/645462758.db2.gz NDQSZPXUUWQDIV-IAGOWNOFSA-N 1 2 376.869 2.330 20 30 GEEDLO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)cc1 ZINC000245618832 645462762 /nfs/dbraw/zinc/46/27/62/645462762.db2.gz NDQSZPXUUWQDIV-IAGOWNOFSA-N 1 2 376.869 2.330 20 30 GEEDLO C#CCSCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000245790902 645469653 /nfs/dbraw/zinc/46/96/53/645469653.db2.gz XGELVNVXEBVMSC-IRXDYDNUSA-N 1 2 381.929 2.377 20 30 GEEDLO C#CCSCCNC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000245790902 645469658 /nfs/dbraw/zinc/46/96/58/645469658.db2.gz XGELVNVXEBVMSC-IRXDYDNUSA-N 1 2 381.929 2.377 20 30 GEEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000273034659 646298673 /nfs/dbraw/zinc/29/86/73/646298673.db2.gz GXZHLERHQCERPP-UHFFFAOYSA-N 1 2 375.281 2.265 20 30 GEEDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CCCS(=O)(=O)C3)n2)C1 ZINC000329427412 647320244 /nfs/dbraw/zinc/32/02/44/647320244.db2.gz GIEPZSBZYBFEON-OLZOCXBDSA-N 1 2 386.543 2.278 20 30 GEEDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CCCS(=O)(=O)C3)n2)C1 ZINC000329427412 647320250 /nfs/dbraw/zinc/32/02/50/647320250.db2.gz GIEPZSBZYBFEON-OLZOCXBDSA-N 1 2 386.543 2.278 20 30 GEEDLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000365491632 647674288 /nfs/dbraw/zinc/67/42/88/647674288.db2.gz CVASASDLUIWFFF-GFCCVEGCSA-N 1 2 395.282 2.232 20 30 GEEDLO C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000408458307 647955141 /nfs/dbraw/zinc/95/51/41/647955141.db2.gz FDZDEZMDBUDFRI-VHSXEESVSA-N 1 2 390.278 2.173 20 30 GEEDLO C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000408458307 647955155 /nfs/dbraw/zinc/95/51/55/647955155.db2.gz FDZDEZMDBUDFRI-VHSXEESVSA-N 1 2 390.278 2.173 20 30 GEEDLO C=CCn1cc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)nn1 ZINC000424175036 648616150 /nfs/dbraw/zinc/61/61/50/648616150.db2.gz SRKJCFCZQSEJIF-UHFFFAOYSA-N 1 2 392.301 2.353 20 30 GEEDLO N#Cc1ccc(Br)cc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000550435154 651111421 /nfs/dbraw/zinc/11/14/21/651111421.db2.gz CTADRCAQLMYDEA-UHFFFAOYSA-N 1 2 391.250 2.447 20 30 GEEDLO N#CCC[C@@H](C#N)C[NH2+]CC(=O)Nc1ccc(I)cc1 ZINC000550999785 651117096 /nfs/dbraw/zinc/11/70/96/651117096.db2.gz NGVLFCBNJCDRAV-NSHDSACASA-N 1 2 382.205 2.263 20 30 GEEDLO C=CCSCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000552504108 651151264 /nfs/dbraw/zinc/15/12/64/651151264.db2.gz GZFBJCJZOIKDFR-HOTGVXAUSA-N 1 2 381.929 2.237 20 30 GEEDLO C=CCSCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000552504108 651151265 /nfs/dbraw/zinc/15/12/65/651151265.db2.gz GZFBJCJZOIKDFR-HOTGVXAUSA-N 1 2 381.929 2.237 20 30 GEEDLO C[C@@H](CNS(=O)(=O)c1cccc(Br)c1C#N)Cn1cc[nH+]c1 ZINC000563225099 651517466 /nfs/dbraw/zinc/51/74/66/651517466.db2.gz HFUVDKBXMFTMTN-NSHDSACASA-N 1 2 383.271 2.132 20 30 GEEDLO C=CC[C@H]1CC[N@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625699241 652368119 /nfs/dbraw/zinc/36/81/19/652368119.db2.gz BTDLLYCVDLJVFT-HOTGVXAUSA-N 1 2 382.551 2.162 20 30 GEEDLO C=CC[C@H]1CC[N@@H+](CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000625699241 652368122 /nfs/dbraw/zinc/36/81/22/652368122.db2.gz BTDLLYCVDLJVFT-HOTGVXAUSA-N 1 2 382.551 2.162 20 30 GEEDLO C#CCN(Cc1c[nH+]c2c(C)cc(Br)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000753537225 652410118 /nfs/dbraw/zinc/41/01/18/652410118.db2.gz RWNMFTZUFMLMHN-AWEZNQCLSA-N 1 2 396.310 2.028 20 30 GEEDLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000581559091 652416664 /nfs/dbraw/zinc/41/66/64/652416664.db2.gz MNWNOOFJRBGWIT-CYBMUJFWSA-N 1 2 383.901 2.085 20 30 GEEDLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000581559091 652416667 /nfs/dbraw/zinc/41/66/67/652416667.db2.gz MNWNOOFJRBGWIT-CYBMUJFWSA-N 1 2 383.901 2.085 20 30 GEEDLO C#CC[N@@H+](CC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C1CC1 ZINC000763951344 652780117 /nfs/dbraw/zinc/78/01/17/652780117.db2.gz WENZASAXJSWPEK-UHFFFAOYSA-N 1 2 396.354 2.252 20 30 GEEDLO C#CC[N@H+](CC(=O)N1CCN(Cc2ccc(Br)s2)CC1)C1CC1 ZINC000763951344 652780125 /nfs/dbraw/zinc/78/01/25/652780125.db2.gz WENZASAXJSWPEK-UHFFFAOYSA-N 1 2 396.354 2.252 20 30 GEEDLO C[C@H]1C[N@H+](CCNC(=O)Cc2ccc(Br)cc2C#N)[C@@H](C)CO1 ZINC000597993284 652795210 /nfs/dbraw/zinc/79/52/10/652795210.db2.gz FOXRUAKTOKBRCD-STQMWFEESA-N 1 2 380.286 2.089 20 30 GEEDLO C[C@H]1C[N@@H+](CCNC(=O)Cc2ccc(Br)cc2C#N)[C@@H](C)CO1 ZINC000597993284 652795217 /nfs/dbraw/zinc/79/52/17/652795217.db2.gz FOXRUAKTOKBRCD-STQMWFEESA-N 1 2 380.286 2.089 20 30 GEEDLO N#CC1(C[C@@H](O)C[N@@H+]2CCc3nccc(Br)c3C2)CCOCC1 ZINC000598948568 652842174 /nfs/dbraw/zinc/84/21/74/652842174.db2.gz HKNXWEKDXYTYKY-CYBMUJFWSA-N 1 2 380.286 2.274 20 30 GEEDLO N#CC1(C[C@@H](O)C[N@H+]2CCc3nccc(Br)c3C2)CCOCC1 ZINC000598948568 652842177 /nfs/dbraw/zinc/84/21/77/652842177.db2.gz HKNXWEKDXYTYKY-CYBMUJFWSA-N 1 2 380.286 2.274 20 30 GEEDLO C[S@@](=O)CC[NH+]1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000771148782 653098135 /nfs/dbraw/zinc/09/81/35/653098135.db2.gz YSOIWIQHFHLJRN-RUZDIDTESA-N 1 2 380.876 2.399 20 30 GEEDLO C#CCOCCNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000807106269 653184535 /nfs/dbraw/zinc/18/45/35/653184535.db2.gz OVSCHJIHFVNQTB-UHFFFAOYSA-N 1 2 395.257 2.100 20 30 GEEDLO Brc1ccccc1-n1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)nn1 ZINC000811646331 653399850 /nfs/dbraw/zinc/39/98/50/653399850.db2.gz VKCLTIFJMYIXAQ-OKILXGFUSA-N 1 2 388.273 2.224 20 30 GEEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2ccc(Br)cc2)n1 ZINC000789322761 653771608 /nfs/dbraw/zinc/77/16/08/653771608.db2.gz BIMAYHFAZGKFLK-SFHVURJKSA-N 1 2 392.297 2.461 20 30 GEEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2ccc(Br)cc2)n1 ZINC000789322761 653771611 /nfs/dbraw/zinc/77/16/11/653771611.db2.gz BIMAYHFAZGKFLK-SFHVURJKSA-N 1 2 392.297 2.461 20 30 GEEDLO COc1cc(C[NH2+]Cc2c(I)cnn2C)ccc1C#N ZINC000865868947 653778262 /nfs/dbraw/zinc/77/82/62/653778262.db2.gz RETZPVUKLVHIKO-UHFFFAOYSA-N 1 2 382.205 2.195 20 30 GEEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)c(Cl)c2Cl)CC1 ZINC000823123832 653854819 /nfs/dbraw/zinc/85/48/19/653854819.db2.gz IFZRPVYUEABLNB-UHFFFAOYSA-N 1 2 382.291 2.199 20 30 GEEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)c(Cl)c2Cl)CC1 ZINC000823123832 653854823 /nfs/dbraw/zinc/85/48/23/653854823.db2.gz IFZRPVYUEABLNB-UHFFFAOYSA-N 1 2 382.291 2.199 20 30 GEEDLO C=C(Br)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000852013352 654212686 /nfs/dbraw/zinc/21/26/86/654212686.db2.gz DTEMGQONQIHQCU-INIZCTEOSA-N 1 2 381.318 2.010 20 30 GEEDLO C=C(Br)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000852013352 654212687 /nfs/dbraw/zinc/21/26/87/654212687.db2.gz DTEMGQONQIHQCU-INIZCTEOSA-N 1 2 381.318 2.010 20 30 GEEDLO N#Cc1cc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)ccc1Br ZINC000906944880 654491105 /nfs/dbraw/zinc/49/11/05/654491105.db2.gz PDIOBSCCRCHZAY-UHFFFAOYSA-N 1 2 384.299 2.180 20 30 GEEDLO C#CC1(O)CC[NH+](Cc2cc(OC)c(C(=O)OC)cc2Br)CC1 ZINC000931153126 654731285 /nfs/dbraw/zinc/73/12/85/654731285.db2.gz CJQDVEZZCWKEQY-UHFFFAOYSA-N 1 2 382.254 2.204 20 30 GEEDLO