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)CCN1c1ncc([N+](=O)[O-])cc1C#N ZINC001164699470 719850866 /nfs/dbraw/zinc/85/08/66/719850866.db2.gz FMBZAQVSMVYCMO-RDTXWAMCSA-N 1 2 389.412 1.094 20 30 GDEDLO COC(=O)c1cc(C#N)cnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165009792 721719947 /nfs/dbraw/zinc/71/99/47/721719947.db2.gz AXSOUPHSTWBPSR-UHFFFAOYSA-N 1 2 383.456 1.582 20 30 GDEDLO COC(=O)c1cc(C#N)cnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165009792 721719954 /nfs/dbraw/zinc/71/99/54/721719954.db2.gz AXSOUPHSTWBPSR-UHFFFAOYSA-N 1 2 383.456 1.582 20 30 GDEDLO N#CCc1cncc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916060 721792043 /nfs/dbraw/zinc/79/20/43/721792043.db2.gz OOVPUHFKFIPXMC-FQEVSTJZSA-N 1 2 380.452 1.045 20 30 GDEDLO N#CCc1cncc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916060 721792046 /nfs/dbraw/zinc/79/20/46/721792046.db2.gz OOVPUHFKFIPXMC-FQEVSTJZSA-N 1 2 380.452 1.045 20 30 GDEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573292653 946938399 /nfs/dbraw/zinc/93/83/99/946938399.db2.gz ZEBSKPOAIAKUHT-PRHODGIISA-N 1 2 380.250 1.154 20 30 GDEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573292653 946938407 /nfs/dbraw/zinc/93/84/07/946938407.db2.gz ZEBSKPOAIAKUHT-PRHODGIISA-N 1 2 380.250 1.154 20 30 GDEDLO C=C(C)CN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000054146867 530699311 /nfs/dbraw/zinc/69/93/11/530699311.db2.gz GQLSHWLQIFRKHX-UHFFFAOYSA-N 1 2 385.555 1.915 20 30 GDEDLO O=C(CS(=O)(=O)Nc1ccc([NH+]2CCCCC2)cc1)N=C1NCCS1 ZINC000067290062 530775268 /nfs/dbraw/zinc/77/52/68/530775268.db2.gz KVHOTFXFELZAPT-UHFFFAOYSA-N 1 2 382.511 1.638 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000112904508 530885221 /nfs/dbraw/zinc/88/52/21/530885221.db2.gz CRAXEOPIIBMTAH-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)c(F)c2)CC1 ZINC000112904508 530885222 /nfs/dbraw/zinc/88/52/22/530885222.db2.gz CRAXEOPIIBMTAH-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000112904617 530885702 /nfs/dbraw/zinc/88/57/02/530885702.db2.gz IGLCTWFMDJPZDY-UHFFFAOYSA-N 1 2 392.297 1.275 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(Br)c2)CC1 ZINC000112904617 530885706 /nfs/dbraw/zinc/88/57/06/530885706.db2.gz IGLCTWFMDJPZDY-UHFFFAOYSA-N 1 2 392.297 1.275 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000192065323 530960476 /nfs/dbraw/zinc/96/04/76/530960476.db2.gz QSTAUDZOGHEODP-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(Br)c2F)CC1 ZINC000192065323 530960478 /nfs/dbraw/zinc/96/04/78/530960478.db2.gz QSTAUDZOGHEODP-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000120987849 530948452 /nfs/dbraw/zinc/94/84/52/530948452.db2.gz AGZPCRWTGWOYJF-MRXNPFEDSA-N 1 2 377.286 1.910 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(CCOc2ccccc2Br)CC1 ZINC000125853776 531011413 /nfs/dbraw/zinc/01/14/13/531011413.db2.gz APDNMXNYJDRTEC-UHFFFAOYSA-N 1 2 382.302 1.748 20 30 GDEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000472774635 531240241 /nfs/dbraw/zinc/24/02/41/531240241.db2.gz SZDQJIVJOFYBCR-CQSZACIVSA-N 1 2 388.511 1.168 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)s1 ZINC000435442915 531262787 /nfs/dbraw/zinc/26/27/87/531262787.db2.gz LDGOCZOCTDUCBJ-UHFFFAOYSA-N 1 2 397.444 1.895 20 30 GDEDLO C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435430892 531261708 /nfs/dbraw/zinc/26/17/08/531261708.db2.gz AXMYDJWZINTKGJ-ZDUSSCGKSA-N 1 2 381.479 1.722 20 30 GDEDLO CNS(=O)(=O)NC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000291041942 531272887 /nfs/dbraw/zinc/27/28/87/531272887.db2.gz AXGGRQLKSURMEQ-UHFFFAOYSA-N 1 2 387.303 1.339 20 30 GDEDLO Cn1c(CC#N)nnc1SCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000477059235 531323462 /nfs/dbraw/zinc/32/34/62/531323462.db2.gz TWNOAKCPEXLKDH-UHFFFAOYSA-N 1 2 376.511 1.379 20 30 GDEDLO N#CCCOCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000293121585 531402179 /nfs/dbraw/zinc/40/21/79/531402179.db2.gz PHMBYRUXYYSSQF-UHFFFAOYSA-N 1 2 396.285 1.902 20 30 GDEDLO N#Cc1ccc(CS(=O)(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000363181313 531475066 /nfs/dbraw/zinc/47/50/66/531475066.db2.gz WJAURBPKNXKCSN-KRWDZBQOSA-N 1 2 381.523 1.186 20 30 GDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2Br)CC1 ZINC000280039752 531468672 /nfs/dbraw/zinc/46/86/72/531468672.db2.gz AQVIOOSDDISONO-UHFFFAOYSA-N 1 2 387.299 1.787 20 30 GDEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@@H](c2cccc(Br)c2)C1=O ZINC000416407720 531605286 /nfs/dbraw/zinc/60/52/86/531605286.db2.gz LWGHMUMSOPZIFA-CABCVRRESA-N 1 2 394.269 1.498 20 30 GDEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@@H](c2cccc(Br)c2)C1=O ZINC000416407720 531605292 /nfs/dbraw/zinc/60/52/92/531605292.db2.gz LWGHMUMSOPZIFA-CABCVRRESA-N 1 2 394.269 1.498 20 30 GDEDLO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1Br ZINC000559907659 531613005 /nfs/dbraw/zinc/61/30/05/531613005.db2.gz FDZGZVSAJVQYCB-LLVKDONJSA-N 1 2 388.225 1.656 20 30 GDEDLO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1Br ZINC000559907659 531613012 /nfs/dbraw/zinc/61/30/12/531613012.db2.gz FDZGZVSAJVQYCB-LLVKDONJSA-N 1 2 388.225 1.656 20 30 GDEDLO N#Cc1cc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)ccc1C(F)(F)F ZINC000282224221 531725446 /nfs/dbraw/zinc/72/54/46/531725446.db2.gz HJSQUELLMYLPNJ-UHFFFAOYSA-N 1 2 377.388 1.578 20 30 GDEDLO N#Cc1cc(S(=O)(=O)NCC[N@H+]2CCCOCC2)ccc1C(F)(F)F ZINC000282224221 531725454 /nfs/dbraw/zinc/72/54/54/531725454.db2.gz HJSQUELLMYLPNJ-UHFFFAOYSA-N 1 2 377.388 1.578 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000511649022 531796084 /nfs/dbraw/zinc/79/60/84/531796084.db2.gz RBHVKJLQEANKKD-UKRRQHHQSA-N 1 2 376.400 1.825 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000511649022 531796093 /nfs/dbraw/zinc/79/60/93/531796093.db2.gz RBHVKJLQEANKKD-UKRRQHHQSA-N 1 2 376.400 1.825 20 30 GDEDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000283574393 531876196 /nfs/dbraw/zinc/87/61/96/531876196.db2.gz WNKYTDTYLQDJJP-LSDHHAIUSA-N 1 2 390.241 1.600 20 30 GDEDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C#N)c1cccc(Br)c1 ZINC000283574393 531876200 /nfs/dbraw/zinc/87/62/00/531876200.db2.gz WNKYTDTYLQDJJP-LSDHHAIUSA-N 1 2 390.241 1.600 20 30 GDEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000598584139 531987493 /nfs/dbraw/zinc/98/74/93/531987493.db2.gz JPCHLVIHMJYQRC-HNNXBMFYSA-N 1 2 385.917 1.947 20 30 GDEDLO Cc1c(C#N)c(=O)n(Cc2[nH+]c3ccc(Br)cc3n2C)c(=O)n1C ZINC000603357158 532089736 /nfs/dbraw/zinc/08/97/36/532089736.db2.gz HBORPRSPDAFTDL-UHFFFAOYSA-N 1 2 388.225 1.425 20 30 GDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000287256715 532204952 /nfs/dbraw/zinc/20/49/52/532204952.db2.gz KQDZYDCKJWNMQU-NSHDSACASA-N 1 2 387.303 1.326 20 30 GDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000287256715 532204957 /nfs/dbraw/zinc/20/49/57/532204957.db2.gz KQDZYDCKJWNMQU-NSHDSACASA-N 1 2 387.303 1.326 20 30 GDEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H](C)C1 ZINC000274813731 532235158 /nfs/dbraw/zinc/23/51/58/532235158.db2.gz ULDNOLHAWOOAFW-LBPRGKRZSA-N 1 2 385.873 1.470 20 30 GDEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H](C)C1 ZINC000274813731 532235159 /nfs/dbraw/zinc/23/51/59/532235159.db2.gz ULDNOLHAWOOAFW-LBPRGKRZSA-N 1 2 385.873 1.470 20 30 GDEDLO N#Cc1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1-c1nn[nH]n1 ZINC000737715568 599197775 /nfs/dbraw/zinc/19/77/75/599197775.db2.gz BGTJVHBGIUHUIM-SFHVURJKSA-N 1 2 389.419 1.578 20 30 GDEDLO N#Cc1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1-c1nn[nH]n1 ZINC000737715568 599197777 /nfs/dbraw/zinc/19/77/77/599197777.db2.gz BGTJVHBGIUHUIM-SFHVURJKSA-N 1 2 389.419 1.578 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000820788696 606785097 /nfs/dbraw/zinc/78/50/97/606785097.db2.gz MLRIJETVQQQZPA-CQSZACIVSA-N 1 2 391.439 1.118 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000820788696 606785098 /nfs/dbraw/zinc/78/50/98/606785098.db2.gz MLRIJETVQQQZPA-CQSZACIVSA-N 1 2 391.439 1.118 20 30 GDEDLO N#Cc1ccc(OCC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000565876457 650819175 /nfs/dbraw/zinc/81/91/75/650819175.db2.gz PFMPUAKJONNBGK-GASCZTMLSA-N 1 2 394.269 1.679 20 30 GDEDLO N#Cc1ccc(OCC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Br ZINC000565876457 650819176 /nfs/dbraw/zinc/81/91/76/650819176.db2.gz PFMPUAKJONNBGK-GASCZTMLSA-N 1 2 394.269 1.679 20 30 GDEDLO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000329517017 645314819 /nfs/dbraw/zinc/31/48/19/645314819.db2.gz MZAAFXKPZVGOAT-RWMBFGLXSA-N 1 2 375.491 1.179 20 30 GDEDLO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000329517017 645314824 /nfs/dbraw/zinc/31/48/24/645314824.db2.gz MZAAFXKPZVGOAT-RWMBFGLXSA-N 1 2 375.491 1.179 20 30 GDEDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000528734066 648727046 /nfs/dbraw/zinc/72/70/46/648727046.db2.gz FYYQRJGNFZBOTC-UHFFFAOYSA-N 1 2 393.285 1.491 20 30 GDEDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000528734066 648727047 /nfs/dbraw/zinc/72/70/47/648727047.db2.gz FYYQRJGNFZBOTC-UHFFFAOYSA-N 1 2 393.285 1.491 20 30 GDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603311188 652696272 /nfs/dbraw/zinc/69/62/72/652696272.db2.gz HYESBTQFVMDISX-ZDUSSCGKSA-N 1 2 392.301 1.849 20 30 GDEDLO C#C[C@H]1COCCN1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000838549040 655219535 /nfs/dbraw/zinc/21/95/35/655219535.db2.gz FVGPWIMEOSRKLJ-HNNXBMFYSA-N 1 2 391.269 1.991 20 30 GDEDLO C#CCOCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000851769759 655594293 /nfs/dbraw/zinc/59/42/93/655594293.db2.gz VFNCOJBHVQJIHQ-UHFFFAOYSA-N 1 2 381.270 1.622 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ccc(SC)s2)CC1 ZINC000859224691 655770386 /nfs/dbraw/zinc/77/03/86/655770386.db2.gz HDOYQSNZOFJVAO-ALCCZGGFSA-N 1 2 377.535 1.767 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ccc(SC)s2)CC1 ZINC000859224691 655770387 /nfs/dbraw/zinc/77/03/87/655770387.db2.gz HDOYQSNZOFJVAO-ALCCZGGFSA-N 1 2 377.535 1.767 20 30 GDEDLO C#CCOc1cccc(Cl)c1C[NH2+]CCS(=O)(=O)N=S(C)(C)=O ZINC000922493776 656484251 /nfs/dbraw/zinc/48/42/51/656484251.db2.gz UOLAWUFKAQHPBB-UHFFFAOYSA-N 1 2 378.903 1.499 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](c2ccccc2Br)C1 ZINC000884109832 657326455 /nfs/dbraw/zinc/32/64/55/657326455.db2.gz RUAJYYBJIIJWTJ-GJZGRUSLSA-N 1 2 397.269 1.796 20 30 GDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1ccccc1I ZINC000891322662 658224918 /nfs/dbraw/zinc/22/49/18/658224918.db2.gz TXZBHLNHNHBNFO-CABCVRRESA-N 1 2 398.244 1.538 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1ccccc1I ZINC000891322662 658224925 /nfs/dbraw/zinc/22/49/25/658224925.db2.gz TXZBHLNHNHBNFO-CABCVRRESA-N 1 2 398.244 1.538 20 30 GDEDLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)CC1 ZINC000906996982 659638186 /nfs/dbraw/zinc/63/81/86/659638186.db2.gz DEFFOXIAEOIWQF-CYBMUJFWSA-N 1 2 379.507 1.850 20 30 GDEDLO C[C@H](NS(=O)(=O)c1c(C#N)sc2ccccc21)[C@H]1C[N@H+](C)CCN1C ZINC000907401939 659746812 /nfs/dbraw/zinc/74/68/12/659746812.db2.gz HBTJBWUMHBQYFA-GXTWGEPZSA-N 1 2 378.523 1.686 20 30 GDEDLO C[C@H](NS(=O)(=O)c1c(C#N)sc2ccccc21)[C@H]1C[N@@H+](C)CCN1C ZINC000907401939 659746816 /nfs/dbraw/zinc/74/68/16/659746816.db2.gz HBTJBWUMHBQYFA-GXTWGEPZSA-N 1 2 378.523 1.686 20 30 GDEDLO C[NH+](C)CC#CCNC(=O)CCS(=O)(=O)c1cccc(Br)c1 ZINC000913523317 660085131 /nfs/dbraw/zinc/08/51/31/660085131.db2.gz VKOXTUASBLNGJA-UHFFFAOYSA-N 1 2 387.299 1.294 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(C#N)c[nH]c2n1 ZINC001164701145 719863398 /nfs/dbraw/zinc/86/33/98/719863398.db2.gz JUKLWINCVDBUHJ-KUHUBIRLSA-N 1 2 384.440 1.062 20 30 GDEDLO N#Cc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C#N)c1 ZINC001164910762 721775704 /nfs/dbraw/zinc/77/57/04/721775704.db2.gz CDZWVWWMAKGGII-OAQYLSRUSA-N 1 2 390.447 1.328 20 30 GDEDLO N#Cc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C#N)c1 ZINC001164910762 721775706 /nfs/dbraw/zinc/77/57/06/721775706.db2.gz CDZWVWWMAKGGII-OAQYLSRUSA-N 1 2 390.447 1.328 20 30 GDEDLO C=C[C@](C)(CC)C(=O)NC1(CCO)C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573306759 947174004 /nfs/dbraw/zinc/17/40/04/947174004.db2.gz MUSOHKLIRHWJPB-LJQANCHMSA-N 1 2 384.484 1.522 20 30 GDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1F ZINC001571155562 952699051 /nfs/dbraw/zinc/69/90/51/952699051.db2.gz WVSKMTILDMQSLS-AWEZNQCLSA-N 1 2 380.387 1.210 20 30 GDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1F ZINC001571155562 952699055 /nfs/dbraw/zinc/69/90/55/952699055.db2.gz WVSKMTILDMQSLS-AWEZNQCLSA-N 1 2 380.387 1.210 20 30 GDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000042146451 530626941 /nfs/dbraw/zinc/62/69/41/530626941.db2.gz YTDSNTSZUAXJSC-LBPRGKRZSA-N 1 2 396.289 1.366 20 30 GDEDLO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000052668246 530686778 /nfs/dbraw/zinc/68/67/78/530686778.db2.gz VFQKZUCEXFXPPA-CQSZACIVSA-N 1 2 394.317 1.974 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1cccc(Br)c1 ZINC000060633944 530737569 /nfs/dbraw/zinc/73/75/69/530737569.db2.gz OFZCBEKKGTZHSP-UHFFFAOYSA-N 1 2 396.285 1.902 20 30 GDEDLO CCc1nc(C[NH+]2CCC(CNS(=O)(=O)N(C)CCC#N)CC2)cs1 ZINC000111357858 530874424 /nfs/dbraw/zinc/87/44/24/530874424.db2.gz VOBYYELRJJEFHC-UHFFFAOYSA-N 1 2 385.559 1.597 20 30 GDEDLO CN(CCC#N)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000133311918 531090248 /nfs/dbraw/zinc/09/02/48/531090248.db2.gz QOUIWJAAEPFSJC-HZPDHXFCSA-N 1 2 386.905 1.392 20 30 GDEDLO CN(CCC#N)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000133311918 531090250 /nfs/dbraw/zinc/09/02/50/531090250.db2.gz QOUIWJAAEPFSJC-HZPDHXFCSA-N 1 2 386.905 1.392 20 30 GDEDLO N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000449970378 531482072 /nfs/dbraw/zinc/48/20/72/531482072.db2.gz HUZGDGUVJPCGCY-UHFFFAOYSA-N 1 2 389.257 1.370 20 30 GDEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000416405849 531603511 /nfs/dbraw/zinc/60/35/11/531603511.db2.gz VGRPNRPMELDHSP-UHFFFAOYSA-N 1 2 388.287 1.009 20 30 GDEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000416405849 531603513 /nfs/dbraw/zinc/60/35/13/531603513.db2.gz VGRPNRPMELDHSP-UHFFFAOYSA-N 1 2 388.287 1.009 20 30 GDEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000560219963 531631279 /nfs/dbraw/zinc/63/12/79/531631279.db2.gz GTTLRFXFFUEMQP-UHFFFAOYSA-N 1 2 389.209 1.979 20 30 GDEDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@H+](C)C1 ZINC000416594680 531694960 /nfs/dbraw/zinc/69/49/60/531694960.db2.gz WQWDGMUBEWSPKM-CYBMUJFWSA-N 1 2 385.873 1.131 20 30 GDEDLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@@H+](C)C1 ZINC000416594680 531694966 /nfs/dbraw/zinc/69/49/66/531694966.db2.gz WQWDGMUBEWSPKM-CYBMUJFWSA-N 1 2 385.873 1.131 20 30 GDEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000282512774 531764060 /nfs/dbraw/zinc/76/40/60/531764060.db2.gz ZUUOPHNQENODMI-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147051 531767787 /nfs/dbraw/zinc/76/77/87/531767787.db2.gz HXFXMKDYKDMMOW-KRWDZBQOSA-N 1 2 396.285 1.637 20 30 GDEDLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147051 531767789 /nfs/dbraw/zinc/76/77/89/531767789.db2.gz HXFXMKDYKDMMOW-KRWDZBQOSA-N 1 2 396.285 1.637 20 30 GDEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)c1 ZINC000367481984 531838990 /nfs/dbraw/zinc/83/89/90/531838990.db2.gz ZADKYWYGRCPYMR-LLVKDONJSA-N 1 2 380.214 1.548 20 30 GDEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000598584417 531987203 /nfs/dbraw/zinc/98/72/03/531987203.db2.gz LTGPYDVJBZBNHR-AWEZNQCLSA-N 1 2 385.917 1.947 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286667001 532167952 /nfs/dbraw/zinc/16/79/52/532167952.db2.gz UWYNYDYSOJOZJP-HIFRSBDPSA-N 1 2 376.400 1.825 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286667001 532167957 /nfs/dbraw/zinc/16/79/57/532167957.db2.gz UWYNYDYSOJOZJP-HIFRSBDPSA-N 1 2 376.400 1.825 20 30 GDEDLO CC1(C)C[NH+]=C(N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)S1 ZINC000288327588 532282722 /nfs/dbraw/zinc/28/27/22/532282722.db2.gz LLLJZWBTYVUMTP-UHFFFAOYSA-N 1 2 378.523 1.887 20 30 GDEDLO C#CCOCCC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000823850787 607889764 /nfs/dbraw/zinc/88/97/64/607889764.db2.gz UAAUUXCADPORSF-UHFFFAOYSA-N 1 2 391.435 1.103 20 30 GDEDLO C#CC[NH+]1CCN(c2ncnc3ccc(I)cc32)CC1 ZINC000172973477 644886342 /nfs/dbraw/zinc/88/63/42/644886342.db2.gz VQEUIDXPUNSPSK-UHFFFAOYSA-N 1 2 378.217 1.990 20 30 GDEDLO Cc1nc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c(Br)s1 ZINC000331355592 645505361 /nfs/dbraw/zinc/50/53/61/645505361.db2.gz QVWGUCIJTPWRQM-CYBMUJFWSA-N 1 2 378.292 1.602 20 30 GDEDLO N#CCCN(C(=O)C[NH+]1CCC(S(N)(=O)=O)CC1)c1cccc(Cl)c1 ZINC000372385044 645810792 /nfs/dbraw/zinc/81/07/92/645810792.db2.gz UBPXBEFMAROQNF-UHFFFAOYSA-N 1 2 384.889 1.340 20 30 GDEDLO CC(C)(CNC(=O)COc1cc(C#N)ccc1Br)[NH+]1CCOCC1 ZINC000601091992 652562596 /nfs/dbraw/zinc/56/25/96/652562596.db2.gz SUEOBOPYQJWDIO-UHFFFAOYSA-N 1 2 396.285 1.927 20 30 GDEDLO N#Cc1cc(Nc2ccn(CC[NH+]3CCOCC3)n2)ncc1Br ZINC000603293031 652691872 /nfs/dbraw/zinc/69/18/72/652691872.db2.gz CECHKKPLNHAORI-UHFFFAOYSA-N 1 2 377.246 1.988 20 30 GDEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000768996497 654444814 /nfs/dbraw/zinc/44/48/14/654444814.db2.gz QURHVPCQJDPBQE-UHFFFAOYSA-N 1 2 384.889 1.842 20 30 GDEDLO C#CCNC(=O)C1CC[NH+](CN2C(=S)N=NC2Cc2cccs2)CC1 ZINC000747795991 654791610 /nfs/dbraw/zinc/79/16/10/654791610.db2.gz HPWUYPBWZLSWAV-UHFFFAOYSA-N 1 2 375.523 1.638 20 30 GDEDLO CNC(=O)NC(=O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945961 657232580 /nfs/dbraw/zinc/23/25/80/657232580.db2.gz JXCBXQGFJQTOOK-PHDIDXHHSA-N 1 2 383.239 1.545 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(I)cc1C ZINC000884045123 657321653 /nfs/dbraw/zinc/32/16/53/657321653.db2.gz IVLHKEVCDNQYOE-NSHDSACASA-N 1 2 388.205 1.985 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC000884219815 657336178 /nfs/dbraw/zinc/33/61/78/657336178.db2.gz YLYWKNDIHLFVTK-OCCSQVGLSA-N 1 2 396.285 1.591 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(I)ccc1C ZINC000884379801 657351322 /nfs/dbraw/zinc/35/13/22/657351322.db2.gz KHGQPXGDLVCQHS-NSHDSACASA-N 1 2 388.205 1.985 20 30 GDEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C(C)C)ccc3C#N)CC2)C1=O ZINC001164633564 719269082 /nfs/dbraw/zinc/26/90/82/719269082.db2.gz GJHHYWUQBGZGDC-UHFFFAOYSA-N 1 2 385.512 1.836 20 30 GDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C(C)C)ccc3C#N)CC2)C1=O ZINC001164633564 719269086 /nfs/dbraw/zinc/26/90/86/719269086.db2.gz GJHHYWUQBGZGDC-UHFFFAOYSA-N 1 2 385.512 1.836 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(OC)c(C#N)cc1F ZINC001164702992 719866050 /nfs/dbraw/zinc/86/60/50/719866050.db2.gz JNNNGUIPYHZGBP-AUUYWEPGSA-N 1 2 392.431 1.334 20 30 GDEDLO Cc1ccc(C#N)c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825769 720439388 /nfs/dbraw/zinc/43/93/88/720439388.db2.gz UVSKTFGLAWBFBT-SFHVURJKSA-N 1 2 396.495 1.448 20 30 GDEDLO Cc1nc(C#N)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913487 721801038 /nfs/dbraw/zinc/80/10/38/721801038.db2.gz DRPUIDALUBKQRN-HXUWFJFHSA-N 1 2 380.452 1.160 20 30 GDEDLO Cc1nc(C#N)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913487 721801039 /nfs/dbraw/zinc/80/10/39/721801039.db2.gz DRPUIDALUBKQRN-HXUWFJFHSA-N 1 2 380.452 1.160 20 30 GDEDLO C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000113498098 530889679 /nfs/dbraw/zinc/88/96/79/530889679.db2.gz YZJKKAASPBTMPM-JTQLQIEISA-N 1 2 386.271 1.702 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000264669248 531196460 /nfs/dbraw/zinc/19/64/60/531196460.db2.gz XXECFKLUGLFARB-UHFFFAOYSA-N 1 2 383.539 1.917 20 30 GDEDLO COc1ccc(C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1I ZINC000520413396 531227786 /nfs/dbraw/zinc/22/77/86/531227786.db2.gz WDFMSIJASLWFIS-CQSZACIVSA-N 1 2 387.221 1.873 20 30 GDEDLO CCN(CCC#N)S(=O)(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000409588072 531258636 /nfs/dbraw/zinc/25/86/36/531258636.db2.gz SLEOZKDBBYTBND-UHFFFAOYSA-N 1 2 386.275 1.667 20 30 GDEDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000448684806 531457920 /nfs/dbraw/zinc/45/79/20/531457920.db2.gz PVOIJRXPLQRZJR-UHFFFAOYSA-N 1 2 393.285 1.605 20 30 GDEDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000448684806 531457924 /nfs/dbraw/zinc/45/79/24/531457924.db2.gz PVOIJRXPLQRZJR-UHFFFAOYSA-N 1 2 393.285 1.605 20 30 GDEDLO Cn1c(CC#N)nnc1SCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000279978712 531464625 /nfs/dbraw/zinc/46/46/25/531464625.db2.gz PQTJILGQMIFYPY-UHFFFAOYSA-N 1 2 376.511 1.379 20 30 GDEDLO C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000449846277 531478269 /nfs/dbraw/zinc/47/82/69/531478269.db2.gz XBADVGKOZAURPX-CHWSQXEVSA-N 1 2 396.285 1.925 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000451439496 531615610 /nfs/dbraw/zinc/61/56/10/531615610.db2.gz UGJSDUMNFMWTAV-CYBMUJFWSA-N 1 2 385.917 1.872 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@H+]1CC(C)(C)O ZINC000451439496 531615615 /nfs/dbraw/zinc/61/56/15/531615615.db2.gz UGJSDUMNFMWTAV-CYBMUJFWSA-N 1 2 385.917 1.872 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000588120517 531647706 /nfs/dbraw/zinc/64/77/06/531647706.db2.gz OIMDBJSIOOTUSQ-MFKMUULPSA-N 1 2 388.287 1.318 20 30 GDEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000269667059 531707808 /nfs/dbraw/zinc/70/78/08/531707808.db2.gz NQUKHHPUFITION-ZDUSSCGKSA-N 1 2 376.404 1.101 20 30 GDEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000269667059 531707816 /nfs/dbraw/zinc/70/78/16/531707816.db2.gz NQUKHHPUFITION-ZDUSSCGKSA-N 1 2 376.404 1.101 20 30 GDEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000452098730 531761367 /nfs/dbraw/zinc/76/13/67/531761367.db2.gz BDSLSBKXUABBCX-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000452098730 531761373 /nfs/dbraw/zinc/76/13/73/531761373.db2.gz BDSLSBKXUABBCX-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000452103604 531763822 /nfs/dbraw/zinc/76/38/22/531763822.db2.gz KZZWWCVJUVNPRK-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000452103604 531763824 /nfs/dbraw/zinc/76/38/24/531763824.db2.gz KZZWWCVJUVNPRK-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000564966962 531871301 /nfs/dbraw/zinc/87/13/01/531871301.db2.gz OMFGZEAJGMQSFS-CYBMUJFWSA-N 1 2 376.251 1.643 20 30 GDEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000595406459 531881470 /nfs/dbraw/zinc/88/14/70/531881470.db2.gz JMLFNOONPKKCIV-INIZCTEOSA-N 1 2 375.274 1.992 20 30 GDEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000595406459 531881477 /nfs/dbraw/zinc/88/14/77/531881477.db2.gz JMLFNOONPKKCIV-INIZCTEOSA-N 1 2 375.274 1.992 20 30 GDEDLO C[C@@H]1C[N@H+](CCNC(=O)COc2cccc(Br)c2C#N)[C@H](C)CO1 ZINC000597994260 531963006 /nfs/dbraw/zinc/96/30/06/531963006.db2.gz JDGPLJLCKXUWAE-CHWSQXEVSA-N 1 2 396.285 1.925 20 30 GDEDLO C[C@@H]1C[N@@H+](CCNC(=O)COc2cccc(Br)c2C#N)[C@H](C)CO1 ZINC000597994260 531963010 /nfs/dbraw/zinc/96/30/10/531963010.db2.gz JDGPLJLCKXUWAE-CHWSQXEVSA-N 1 2 396.285 1.925 20 30 GDEDLO N#Cc1c(Br)cccc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000577944254 532043198 /nfs/dbraw/zinc/04/31/98/532043198.db2.gz CTQSUCLVSQPJRJ-UHFFFAOYSA-N 1 2 390.328 1.648 20 30 GDEDLO N#Cc1cc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)ncc1Br ZINC000603272361 532086236 /nfs/dbraw/zinc/08/62/36/532086236.db2.gz IJYPCOJTGRSUDE-UHFFFAOYSA-N 1 2 392.301 1.850 20 30 GDEDLO Cc1c(NC(=O)C(=O)N(C)Cc2[nH+]ccn2C)ccc(Br)c1C#N ZINC000425761913 532150827 /nfs/dbraw/zinc/15/08/27/532150827.db2.gz BTYJPHPHEWHFKB-UHFFFAOYSA-N 1 2 390.241 1.960 20 30 GDEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000332662970 532204284 /nfs/dbraw/zinc/20/42/84/532204284.db2.gz PDHJZJOKUCQWBC-ILXRZTDVSA-N 1 2 388.534 1.929 20 30 GDEDLO C[C@H](C#N)CN(C)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000332662970 532204289 /nfs/dbraw/zinc/20/42/89/532204289.db2.gz PDHJZJOKUCQWBC-ILXRZTDVSA-N 1 2 388.534 1.929 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c(C(F)(F)F)c1 ZINC000275467989 532296528 /nfs/dbraw/zinc/29/65/28/532296528.db2.gz LBMQUWYJAZXWBM-UHFFFAOYSA-N 1 2 377.388 1.578 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)c(C(F)(F)F)c1 ZINC000275467989 532296530 /nfs/dbraw/zinc/29/65/30/532296530.db2.gz LBMQUWYJAZXWBM-UHFFFAOYSA-N 1 2 377.388 1.578 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)nc1 ZINC000289421551 532323480 /nfs/dbraw/zinc/32/34/80/532323480.db2.gz MTXULXNDYGAYNX-OLZOCXBDSA-N 1 2 377.388 1.220 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)nc1 ZINC000289421551 532323482 /nfs/dbraw/zinc/32/34/82/532323482.db2.gz MTXULXNDYGAYNX-OLZOCXBDSA-N 1 2 377.388 1.220 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000735420739 598302810 /nfs/dbraw/zinc/30/28/10/598302810.db2.gz RNPGNQZODTZRTR-OAHLLOKOSA-N 1 2 385.472 1.285 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000735420739 598302812 /nfs/dbraw/zinc/30/28/12/598302812.db2.gz RNPGNQZODTZRTR-OAHLLOKOSA-N 1 2 385.472 1.285 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000735418504 598633307 /nfs/dbraw/zinc/63/33/07/598633307.db2.gz GBMSKPQNLHQHRX-UHFFFAOYSA-N 1 2 399.499 1.675 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000735418504 598633308 /nfs/dbraw/zinc/63/33/08/598633308.db2.gz GBMSKPQNLHQHRX-UHFFFAOYSA-N 1 2 399.499 1.675 20 30 GDEDLO COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000821731537 607507745 /nfs/dbraw/zinc/50/77/45/607507745.db2.gz DVJLALYFORRQET-UHFFFAOYSA-N 1 2 376.424 1.464 20 30 GDEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1C#N ZINC000826195509 607513535 /nfs/dbraw/zinc/51/35/35/607513535.db2.gz WTWJWMVTFKKWQL-ZDUSSCGKSA-N 1 2 391.439 1.248 20 30 GDEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1C#N ZINC000826195509 607513537 /nfs/dbraw/zinc/51/35/37/607513537.db2.gz WTWJWMVTFKKWQL-ZDUSSCGKSA-N 1 2 391.439 1.248 20 30 GDEDLO N#CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826381919 607965049 /nfs/dbraw/zinc/96/50/49/607965049.db2.gz GDVPZSJRYYLOAR-UHFFFAOYSA-N 1 2 387.447 1.891 20 30 GDEDLO C=CCOc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000823931869 608832604 /nfs/dbraw/zinc/83/26/04/608832604.db2.gz ILXPPUBOBDQJAT-OAHLLOKOSA-N 1 2 392.467 1.932 20 30 GDEDLO C=CCOc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000823931869 608832606 /nfs/dbraw/zinc/83/26/06/608832606.db2.gz ILXPPUBOBDQJAT-OAHLLOKOSA-N 1 2 392.467 1.932 20 30 GDEDLO CC1(C#N)CC[NH+](CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824777586 609540505 /nfs/dbraw/zinc/54/05/05/609540505.db2.gz KDJFHSALNFCFMS-UHFFFAOYSA-N 1 2 394.439 1.214 20 30 GDEDLO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000528739689 648727860 /nfs/dbraw/zinc/72/78/60/648727860.db2.gz VXGNNPORLLXNNL-UHFFFAOYSA-N 1 2 393.285 1.491 20 30 GDEDLO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000528739689 648727861 /nfs/dbraw/zinc/72/78/61/648727861.db2.gz VXGNNPORLLXNNL-UHFFFAOYSA-N 1 2 393.285 1.491 20 30 GDEDLO N#Cc1cc(NC(=O)C(=O)NCCNc2cccc[nH+]2)ccc1Br ZINC000571341347 651073878 /nfs/dbraw/zinc/07/38/78/651073878.db2.gz MSNCTHNQNQZUCA-UHFFFAOYSA-N 1 2 388.225 1.883 20 30 GDEDLO COCCS(=O)(=O)CCCO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782947917 654849067 /nfs/dbraw/zinc/84/90/67/654849067.db2.gz FYJWFZVNULGYQK-UHFFFAOYSA-N 1 2 379.276 1.537 20 30 GDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000730285126 654928131 /nfs/dbraw/zinc/92/81/31/654928131.db2.gz YQNZWDJHRVBPRK-HNNXBMFYSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000730285126 654928133 /nfs/dbraw/zinc/92/81/33/654928133.db2.gz YQNZWDJHRVBPRK-HNNXBMFYSA-N 1 2 378.270 1.910 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)s1 ZINC000822863479 655452670 /nfs/dbraw/zinc/45/26/70/655452670.db2.gz UPUOTZJDCLEAHZ-LBPRGKRZSA-N 1 2 380.495 1.083 20 30 GDEDLO C[N@@H+]1CCC(=NNC(=S)NCC(N)=O)C[C@H]1c1ccc(Br)cc1 ZINC000863092592 655861647 /nfs/dbraw/zinc/86/16/47/655861647.db2.gz BXOWPPGOEXQPKY-ZDUSSCGKSA-N 1 2 398.330 1.521 20 30 GDEDLO C[N@H+]1CCC(=NNC(=S)NCC(N)=O)C[C@H]1c1ccc(Br)cc1 ZINC000863092592 655861650 /nfs/dbraw/zinc/86/16/50/655861650.db2.gz BXOWPPGOEXQPKY-ZDUSSCGKSA-N 1 2 398.330 1.521 20 30 GDEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000865171060 655913678 /nfs/dbraw/zinc/91/36/78/655913678.db2.gz IAIVWLMKEHASSQ-UONOGXRCSA-N 1 2 375.897 1.859 20 30 GDEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000865171060 655913679 /nfs/dbraw/zinc/91/36/79/655913679.db2.gz IAIVWLMKEHASSQ-UONOGXRCSA-N 1 2 375.897 1.859 20 30 GDEDLO C=CC[NH+]1CCC(NC(=O)c2cnc(I)c(O)c2)CC1 ZINC000874436568 656469248 /nfs/dbraw/zinc/46/92/48/656469248.db2.gz KXEJZNHFVMKJOX-UHFFFAOYSA-N 1 2 387.221 1.772 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2c(F)cc(Br)cc2C1 ZINC000884172675 657332415 /nfs/dbraw/zinc/33/24/15/657332415.db2.gz ALCIZKARUWVIGX-AWEZNQCLSA-N 1 2 385.233 1.920 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(OC)ccc2Br)C1 ZINC000891605609 658254813 /nfs/dbraw/zinc/25/48/13/658254813.db2.gz HLSAJAMXVULQNU-GFCCVEGCSA-N 1 2 394.269 1.610 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(OC)ccc2Br)C1 ZINC000891605609 658254824 /nfs/dbraw/zinc/25/48/24/658254824.db2.gz HLSAJAMXVULQNU-GFCCVEGCSA-N 1 2 394.269 1.610 20 30 GDEDLO CNC(=O)CC1S/C(=N/[C@H](C)c2cccs2)N(C[C@@H]2CC[N@@H+]2C)C1=O ZINC000901701723 659229388 /nfs/dbraw/zinc/22/93/88/659229388.db2.gz VKSNHDOVSWGGTP-HHUGWMGESA-N 1 2 380.539 1.949 20 30 GDEDLO CNC(=O)CC1S/C(=N/[C@H](C)c2cccs2)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000901701723 659229389 /nfs/dbraw/zinc/22/93/89/659229389.db2.gz VKSNHDOVSWGGTP-HHUGWMGESA-N 1 2 380.539 1.949 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc2c(C#N)c[nH]c2n1 ZINC001164701143 719863606 /nfs/dbraw/zinc/86/36/06/719863606.db2.gz JUKLWINCVDBUHJ-AUUYWEPGSA-N 1 2 384.440 1.062 20 30 GDEDLO COc1cc(C#N)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164916776 721785085 /nfs/dbraw/zinc/78/50/85/721785085.db2.gz UEBIBSSXXBVBRO-OAQYLSRUSA-N 1 2 395.463 1.465 20 30 GDEDLO COc1cc(C#N)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164916776 721785089 /nfs/dbraw/zinc/78/50/89/721785089.db2.gz UEBIBSSXXBVBRO-OAQYLSRUSA-N 1 2 395.463 1.465 20 30 GDEDLO Cc1nc(C#N)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915178 721791657 /nfs/dbraw/zinc/79/16/57/721791657.db2.gz JLVKZPLKSLFHKT-FQEVSTJZSA-N 1 2 380.452 1.160 20 30 GDEDLO Cc1nc(C#N)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915178 721791659 /nfs/dbraw/zinc/79/16/59/721791659.db2.gz JLVKZPLKSLFHKT-FQEVSTJZSA-N 1 2 380.452 1.160 20 30 GDEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573291883 946926967 /nfs/dbraw/zinc/92/69/67/946926967.db2.gz LNGJFAAYHMZILP-UHFFFAOYSA-N 1 2 382.266 1.545 20 30 GDEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573291883 946926980 /nfs/dbraw/zinc/92/69/80/946926980.db2.gz LNGJFAAYHMZILP-UHFFFAOYSA-N 1 2 382.266 1.545 20 30 GDEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573292423 946933277 /nfs/dbraw/zinc/93/32/77/946933277.db2.gz WBQDZMQZNAEODQ-AWEZNQCLSA-N 1 2 380.250 1.298 20 30 GDEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C[C@@H](C)O2 ZINC001573294764 946996996 /nfs/dbraw/zinc/99/69/96/946996996.db2.gz GPXRVIDNAYLPRA-PXAZEXFGSA-N 1 2 391.863 1.253 20 30 GDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C[C@@H](C)O2 ZINC001573294764 946997006 /nfs/dbraw/zinc/99/70/06/946997006.db2.gz GPXRVIDNAYLPRA-PXAZEXFGSA-N 1 2 391.863 1.253 20 30 GDEDLO C=C[C@@](C)(CC)C(=O)NC1(CCO)C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573306757 947173731 /nfs/dbraw/zinc/17/37/31/947173731.db2.gz MUSOHKLIRHWJPB-IBGZPJMESA-N 1 2 384.484 1.522 20 30 GDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000163844638 530577819 /nfs/dbraw/zinc/57/78/19/530577819.db2.gz UYRYSOMLWYWOJQ-UHFFFAOYSA-N 1 2 395.301 1.579 20 30 GDEDLO CCN(CCC#N)C(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000052668230 530686557 /nfs/dbraw/zinc/68/65/57/530686557.db2.gz NPCHEJHOVKIAHE-UHFFFAOYSA-N 1 2 380.290 1.728 20 30 GDEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000188284782 530890846 /nfs/dbraw/zinc/89/08/46/530890846.db2.gz KIXPISVXRGTTHN-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO N#Cc1cc(Br)ccc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000121810046 530962422 /nfs/dbraw/zinc/96/24/22/530962422.db2.gz CUGUQBLSCFZWHV-UHFFFAOYSA-N 1 2 393.285 1.302 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000265007397 531220794 /nfs/dbraw/zinc/22/07/94/531220794.db2.gz GJIMWAUDYAOGRZ-AWEZNQCLSA-N 1 2 383.539 1.904 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000265007397 531220796 /nfs/dbraw/zinc/22/07/96/531220796.db2.gz GJIMWAUDYAOGRZ-AWEZNQCLSA-N 1 2 383.539 1.904 20 30 GDEDLO N#Cc1csc(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 ZINC000439780342 531326403 /nfs/dbraw/zinc/32/64/03/531326403.db2.gz GNWPBMZNBFMHIX-UHFFFAOYSA-N 1 2 382.433 1.570 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](CCO)CCOCC(F)(F)F)cc1 ZINC000267071394 531393671 /nfs/dbraw/zinc/39/36/71/531393671.db2.gz KYGPSKYHGQTILX-UHFFFAOYSA-N 1 2 380.388 1.205 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCO)CCOCC(F)(F)F)cc1 ZINC000267071394 531393672 /nfs/dbraw/zinc/39/36/72/531393672.db2.gz KYGPSKYHGQTILX-UHFFFAOYSA-N 1 2 380.388 1.205 20 30 GDEDLO CCN(C(=O)[C@H](C)O[NH+]=C(N)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000267341752 531420589 /nfs/dbraw/zinc/42/05/89/531420589.db2.gz NYILWPGKRZAPKI-FZMZJTMJSA-N 1 2 387.889 1.401 20 30 GDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000413963660 531426161 /nfs/dbraw/zinc/42/61/61/531426161.db2.gz XTQKDOLNEDELRE-UHFFFAOYSA-N 1 2 396.285 1.927 20 30 GDEDLO C[N@H+](CCC#N)C[C@H](O)CN(c1nccs1)S(=O)(=O)c1ccccc1 ZINC000414110304 531431412 /nfs/dbraw/zinc/43/14/12/531431412.db2.gz OBMOWJQYLAAUMS-AWEZNQCLSA-N 1 2 380.495 1.545 20 30 GDEDLO C[N@@H+](CCC#N)C[C@H](O)CN(c1nccs1)S(=O)(=O)c1ccccc1 ZINC000414110304 531431417 /nfs/dbraw/zinc/43/14/17/531431417.db2.gz OBMOWJQYLAAUMS-AWEZNQCLSA-N 1 2 380.495 1.545 20 30 GDEDLO N#Cc1ccc(SCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000363080563 531471337 /nfs/dbraw/zinc/47/13/37/531471337.db2.gz HATURJKJPFTUST-GOSISDBHSA-N 1 2 377.535 1.974 20 30 GDEDLO CS(=O)(=O)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000610763050 531513663 /nfs/dbraw/zinc/51/36/63/531513663.db2.gz UIUQITIAJXICSE-UHFFFAOYSA-N 1 2 381.523 1.946 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000363637991 531496405 /nfs/dbraw/zinc/49/64/05/531496405.db2.gz FXOVKVDCICQORC-UHFFFAOYSA-N 1 2 382.291 1.820 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cc(Cl)ccc2Cl)CC1 ZINC000363637991 531496409 /nfs/dbraw/zinc/49/64/09/531496409.db2.gz FXOVKVDCICQORC-UHFFFAOYSA-N 1 2 382.291 1.820 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000281174360 531590440 /nfs/dbraw/zinc/59/04/40/531590440.db2.gz LIWGXBRTXAGVPJ-UHFFFAOYSA-N 1 2 395.257 1.619 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000281174360 531590444 /nfs/dbraw/zinc/59/04/44/531590444.db2.gz LIWGXBRTXAGVPJ-UHFFFAOYSA-N 1 2 395.257 1.619 20 30 GDEDLO N#CCCOCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000559036453 531591261 /nfs/dbraw/zinc/59/12/61/531591261.db2.gz YUNSXICZQKCMNC-UHFFFAOYSA-N 1 2 375.853 1.716 20 30 GDEDLO COCC(COC)[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000416569871 531682598 /nfs/dbraw/zinc/68/25/98/531682598.db2.gz KUJLTNJKLYYVKX-UHFFFAOYSA-N 1 2 387.889 1.179 20 30 GDEDLO N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000592800440 531801865 /nfs/dbraw/zinc/80/18/65/531801865.db2.gz FGYVLJWJYCWKLH-UHFFFAOYSA-N 1 2 386.253 1.996 20 30 GDEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000598584140 531986900 /nfs/dbraw/zinc/98/69/00/531986900.db2.gz JPCHLVIHMJYQRC-OAHLLOKOSA-N 1 2 385.917 1.947 20 30 GDEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000424723763 532106468 /nfs/dbraw/zinc/10/64/68/532106468.db2.gz DADULOZIONEUHH-LLVKDONJSA-N 1 2 379.463 1.926 20 30 GDEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(Br)cc1C#N ZINC000287962379 532254264 /nfs/dbraw/zinc/25/42/64/532254264.db2.gz YTSXWWBQHRVPCK-UHFFFAOYSA-N 1 2 396.285 1.628 20 30 GDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[nH]n2)c1 ZINC000823850573 607758960 /nfs/dbraw/zinc/75/89/60/607758960.db2.gz RUBVPUFAJUBMDN-HNNXBMFYSA-N 1 2 383.412 1.471 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[nH]n2)c1 ZINC000823850573 607758961 /nfs/dbraw/zinc/75/89/61/607758961.db2.gz RUBVPUFAJUBMDN-HNNXBMFYSA-N 1 2 383.412 1.471 20 30 GDEDLO C=CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903653 609514084 /nfs/dbraw/zinc/51/40/84/609514084.db2.gz GLVGICICDNKRHA-UHFFFAOYSA-N 1 2 386.456 1.313 20 30 GDEDLO C=CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903653 609514087 /nfs/dbraw/zinc/51/40/87/609514087.db2.gz GLVGICICDNKRHA-UHFFFAOYSA-N 1 2 386.456 1.313 20 30 GDEDLO C[C@H](C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[NH+]1CCSCC1 ZINC000328907480 645287781 /nfs/dbraw/zinc/28/77/81/645287781.db2.gz CECHSHFWWNOHOH-CQSZACIVSA-N 1 2 383.539 1.947 20 30 GDEDLO CCS[C@@H]1CCCC[N@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000329243184 645304571 /nfs/dbraw/zinc/30/45/71/645304571.db2.gz OWJIKOFIOHTWIU-QWHCGFSZSA-N 1 2 377.532 1.652 20 30 GDEDLO CCS[C@@H]1CCCC[N@@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000329243184 645304578 /nfs/dbraw/zinc/30/45/78/645304578.db2.gz OWJIKOFIOHTWIU-QWHCGFSZSA-N 1 2 377.532 1.652 20 30 GDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602885017 652652713 /nfs/dbraw/zinc/65/27/13/652652713.db2.gz YCHIMCJOYKRDOM-GFCCVEGCSA-N 1 2 383.246 1.309 20 30 GDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000602885017 652652716 /nfs/dbraw/zinc/65/27/16/652652716.db2.gz YCHIMCJOYKRDOM-GFCCVEGCSA-N 1 2 383.246 1.309 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755960385 655006111 /nfs/dbraw/zinc/00/61/11/655006111.db2.gz YIBSAADGOXWUKW-PUAOIOHZSA-N 1 2 383.583 1.647 20 30 GDEDLO COc1cc(I)ccc1NC[C@H](O)C[N@H+](C)CCC#N ZINC000819486961 655391606 /nfs/dbraw/zinc/39/16/06/655391606.db2.gz BAXGVABWRIQFJL-LBPRGKRZSA-N 1 2 389.237 1.918 20 30 GDEDLO COc1cc(I)ccc1NC[C@H](O)C[N@@H+](C)CCC#N ZINC000819486961 655391608 /nfs/dbraw/zinc/39/16/08/655391608.db2.gz BAXGVABWRIQFJL-LBPRGKRZSA-N 1 2 389.237 1.918 20 30 GDEDLO C=CCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000850589447 655559340 /nfs/dbraw/zinc/55/93/40/655559340.db2.gz SWNYMMACYMJOAV-UHFFFAOYSA-N 1 2 395.301 1.832 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc(SC)s2)CC1 ZINC000859224692 655770341 /nfs/dbraw/zinc/77/03/41/655770341.db2.gz HDOYQSNZOFJVAO-FNORWQNLSA-N 1 2 377.535 1.767 20 30 GDEDLO 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/nfs/dbraw/zinc/27/38/59/657273859.db2.gz WMHLAEOKQWYHQR-NSHDSACASA-N 1 2 382.262 1.948 20 30 GDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(Cl)c(C#N)s1 ZINC001055063984 677679661 /nfs/dbraw/zinc/67/96/61/677679661.db2.gz JWOROZYXLJYOBF-USWWRNFRSA-N 1 2 376.873 1.870 20 30 GDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(F)cc3C#N)C2)C1 ZINC001164720253 720213714 /nfs/dbraw/zinc/21/37/14/720213714.db2.gz XPNMVIBVTJLWIM-GOSISDBHSA-N 1 2 395.866 1.411 20 30 GDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)c(F)cc3C#N)C2)C1 ZINC001164720253 720213722 /nfs/dbraw/zinc/21/37/22/720213722.db2.gz XPNMVIBVTJLWIM-GOSISDBHSA-N 1 2 395.866 1.411 20 30 GDEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(F)cc3C#N)C2)C1 ZINC001164720254 720214037 /nfs/dbraw/zinc/21/40/37/720214037.db2.gz XPNMVIBVTJLWIM-SFHVURJKSA-N 1 2 395.866 1.411 20 30 GDEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)c(F)cc3C#N)C2)C1 ZINC001164720254 720214047 /nfs/dbraw/zinc/21/40/47/720214047.db2.gz XPNMVIBVTJLWIM-SFHVURJKSA-N 1 2 395.866 1.411 20 30 GDEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C)c3C#N)C2)C1 ZINC001164717785 720217109 /nfs/dbraw/zinc/21/71/09/720217109.db2.gz IGODEKDXZPSURO-IBGZPJMESA-N 1 2 391.903 1.580 20 30 GDEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C)c3C#N)C2)C1 ZINC001164717785 720217115 /nfs/dbraw/zinc/21/71/15/720217115.db2.gz IGODEKDXZPSURO-IBGZPJMESA-N 1 2 391.903 1.580 20 30 GDEDLO Cc1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ccc1C#N ZINC001164830233 720462221 /nfs/dbraw/zinc/46/22/21/720462221.db2.gz JQQIBNNFWHKMDD-SFHVURJKSA-N 1 2 396.495 1.448 20 30 GDEDLO Cc1cc(C#N)cc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164834813 720478584 /nfs/dbraw/zinc/47/85/84/720478584.db2.gz VIGBIYLZKHOSBJ-GOSISDBHSA-N 1 2 396.495 1.448 20 30 GDEDLO Cc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C#N)c1 ZINC001164913272 721771369 /nfs/dbraw/zinc/77/13/69/721771369.db2.gz VGLVOCHTNBVUCV-NRFANRHFSA-N 1 2 379.464 1.765 20 30 GDEDLO Cc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C#N)c1 ZINC001164913272 721771375 /nfs/dbraw/zinc/77/13/75/721771375.db2.gz VGLVOCHTNBVUCV-NRFANRHFSA-N 1 2 379.464 1.765 20 30 GDEDLO N#Cc1cc(F)cnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911931 721773354 /nfs/dbraw/zinc/77/33/54/721773354.db2.gz ILSVNFOJUGSALD-HXUWFJFHSA-N 1 2 383.427 1.595 20 30 GDEDLO N#Cc1cc(F)cnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911931 721773357 /nfs/dbraw/zinc/77/33/57/721773357.db2.gz ILSVNFOJUGSALD-HXUWFJFHSA-N 1 2 383.427 1.595 20 30 GDEDLO C=CCCC(=O)NC[C@@H]1CCC2(C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)O1 ZINC001573327583 947391887 /nfs/dbraw/zinc/39/18/87/947391887.db2.gz HMVMNVWQKAODIL-KRWDZBQOSA-N 1 2 382.468 1.683 20 30 GDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c(F)c1 ZINC001571155573 952699229 /nfs/dbraw/zinc/69/92/29/952699229.db2.gz XEYHSWKACACSEM-AWEZNQCLSA-N 1 2 380.387 1.210 20 30 GDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c(F)c1 ZINC001571155573 952699232 /nfs/dbraw/zinc/69/92/32/952699232.db2.gz XEYHSWKACACSEM-AWEZNQCLSA-N 1 2 380.387 1.210 20 30 GDEDLO C=CCn1c(=O)[nH]nc1SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000177104354 530696941 /nfs/dbraw/zinc/69/69/41/530696941.db2.gz KRVQVDJOQPHZFD-UHFFFAOYSA-N 1 2 380.499 1.541 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000183660934 530818556 /nfs/dbraw/zinc/81/85/56/530818556.db2.gz VCSBJNAPHIOUOC-HNNXBMFYSA-N 1 2 383.901 1.945 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000125981082 531013225 /nfs/dbraw/zinc/01/32/25/531013225.db2.gz SJAIIINZHHLYMW-QMTHXVAHSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000125981082 531013228 /nfs/dbraw/zinc/01/32/28/531013228.db2.gz SJAIIINZHHLYMW-QMTHXVAHSA-N 1 2 377.388 1.574 20 30 GDEDLO CC#CCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1Cl ZINC000126634483 531020644 /nfs/dbraw/zinc/02/06/44/531020644.db2.gz WCIQNPFJEXLELU-UHFFFAOYSA-N 1 2 383.901 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C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000597994740 531963683 /nfs/dbraw/zinc/96/36/83/531963683.db2.gz KQYHYMSQGXFDEV-OLZOCXBDSA-N 1 2 396.285 1.925 20 30 GDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000597994740 531963689 /nfs/dbraw/zinc/96/36/89/531963689.db2.gz KQYHYMSQGXFDEV-OLZOCXBDSA-N 1 2 396.285 1.925 20 30 GDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000574858993 531999638 /nfs/dbraw/zinc/99/96/38/531999638.db2.gz FELHJGASZHKIDP-SJKOYZFVSA-N 1 2 393.285 1.762 20 30 GDEDLO C=CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000574927677 532003785 /nfs/dbraw/zinc/00/37/85/532003785.db2.gz RVVZTLFOZZVCIC-UHFFFAOYSA-N 1 2 384.483 1.845 20 30 GDEDLO C[C@H](CNC(=O)CCn1cc(Br)ccc1=O)[NH+]1CCN(C)CC1 ZINC000328769442 532093672 /nfs/dbraw/zinc/09/36/72/532093672.db2.gz INECKFHJTDETNS-CYBMUJFWSA-N 1 2 385.306 1.593 20 30 GDEDLO N#Cc1cc(Br)ccc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000274251406 532199003 /nfs/dbraw/zinc/19/90/03/532199003.db2.gz XLGCCECLSLGNDJ-UHFFFAOYSA-N 1 2 389.271 1.752 20 30 GDEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000287182938 532200789 /nfs/dbraw/zinc/20/07/89/532200789.db2.gz DAAFAEDNXZYDHK-LLVKDONJSA-N 1 2 388.287 1.008 20 30 GDEDLO COc1ccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1C#N ZINC000826195280 607484994 /nfs/dbraw/zinc/48/49/94/607484994.db2.gz NQEVPJPMIJAYKQ-UHFFFAOYSA-N 1 2 376.424 1.464 20 30 GDEDLO COc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1C#N ZINC000826194952 607488673 /nfs/dbraw/zinc/48/86/73/607488673.db2.gz BVLVATPNUSIWKS-UHFFFAOYSA-N 1 2 376.424 1.464 20 30 GDEDLO N#Cc1ccc([C@H](O)CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822825386 606849641 /nfs/dbraw/zinc/84/96/41/606849641.db2.gz CXEFHOQFAPLQIR-HXUWFJFHSA-N 1 2 389.463 1.590 20 30 GDEDLO N#Cc1ccc([C@H](O)C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822825386 606849643 /nfs/dbraw/zinc/84/96/43/606849643.db2.gz CXEFHOQFAPLQIR-HXUWFJFHSA-N 1 2 389.463 1.590 20 30 GDEDLO Cn1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360120 609306704 /nfs/dbraw/zinc/30/67/04/609306704.db2.gz YFBDGNCKTDPZPO-HOTGVXAUSA-N 1 2 390.455 1.461 20 30 GDEDLO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)CC1CCS(=O)(=O)CC1)C(C)C ZINC000553518379 650650089 /nfs/dbraw/zinc/65/00/89/650650089.db2.gz AJKJVRYGNIIYKF-KRWDZBQOSA-N 1 2 392.587 1.429 20 30 GDEDLO N#Cc1ccc(I)c(OC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000513216700 648425791 /nfs/dbraw/zinc/42/57/91/648425791.db2.gz HALPXHWQKMLXTK-GFCCVEGCSA-N 1 2 388.205 1.235 20 30 GDEDLO C[C@@H]1C[N@H+](CCOC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000838246361 655208425 /nfs/dbraw/zinc/20/84/25/655208425.db2.gz DQRPRJRCVNAUEN-GFCCVEGCSA-N 1 2 383.242 1.963 20 30 GDEDLO C[C@@H]1C[N@@H+](CCOC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000838246361 655208428 /nfs/dbraw/zinc/20/84/28/655208428.db2.gz DQRPRJRCVNAUEN-GFCCVEGCSA-N 1 2 383.242 1.963 20 30 GDEDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000846639973 655458092 /nfs/dbraw/zinc/45/80/92/655458092.db2.gz RSYOFCWMSNUVBQ-CQSZACIVSA-N 1 2 391.225 1.418 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)s1 ZINC000824046898 655470905 /nfs/dbraw/zinc/47/09/05/655470905.db2.gz STDQSQFKNIBSBI-GFCCVEGCSA-N 1 2 380.495 1.083 20 30 GDEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000881787000 656958416 /nfs/dbraw/zinc/95/84/16/656958416.db2.gz RSMLMDAXIRVKNR-UHFFFAOYSA-N 1 2 399.256 1.719 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc(Br)c(C)c2)CC1 ZINC000932039801 657145937 /nfs/dbraw/zinc/14/59/37/657145937.db2.gz XNUAUTPNEQPCDL-UHFFFAOYSA-N 1 2 393.285 1.050 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc(Br)c(C)c2)CC1 ZINC000932039801 657145940 /nfs/dbraw/zinc/14/59/40/657145940.db2.gz XNUAUTPNEQPCDL-UHFFFAOYSA-N 1 2 393.285 1.050 20 30 GDEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001046958061 657762951 /nfs/dbraw/zinc/76/29/51/657762951.db2.gz BCSLOJQRDGTPLA-ZQDZILKHSA-N 1 2 378.847 1.864 20 30 GDEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001046958061 657762956 /nfs/dbraw/zinc/76/29/56/657762956.db2.gz BCSLOJQRDGTPLA-ZQDZILKHSA-N 1 2 378.847 1.864 20 30 GDEDLO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907247143 659708966 /nfs/dbraw/zinc/70/89/66/659708966.db2.gz ARWFDFNJHOQCRZ-STQMWFEESA-N 1 2 379.507 1.849 20 30 GDEDLO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907247143 659708970 /nfs/dbraw/zinc/70/89/70/659708970.db2.gz ARWFDFNJHOQCRZ-STQMWFEESA-N 1 2 379.507 1.849 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(C)c1C#N ZINC001164700120 719855313 /nfs/dbraw/zinc/85/53/13/719855313.db2.gz GPSHPTUCFWYLCE-FZKQIMNGSA-N 1 2 393.875 1.543 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C)cc1C=NO ZINC001164702389 719863408 /nfs/dbraw/zinc/86/34/08/719863408.db2.gz IUWCDFLLXCHQKD-LPHOPBHVSA-N 1 2 376.457 1.431 20 30 GDEDLO Cc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)cnc1C#N ZINC001164946723 721976861 /nfs/dbraw/zinc/97/68/61/721976861.db2.gz KKZGPUFAKRRDCN-UHFFFAOYSA-N 1 2 376.464 1.628 20 30 GDEDLO Cc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)cnc1C#N ZINC001164946723 721976865 /nfs/dbraw/zinc/97/68/65/721976865.db2.gz KKZGPUFAKRRDCN-UHFFFAOYSA-N 1 2 376.464 1.628 20 30 GDEDLO C#Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)nc1 ZINC001573289244 946882088 /nfs/dbraw/zinc/88/20/88/946882088.db2.gz XOPLLORCISUXLC-UHFFFAOYSA-N 1 2 379.399 1.244 20 30 GDEDLO C#Cc1ccc(C(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)nc1 ZINC001573289244 946882102 /nfs/dbraw/zinc/88/21/02/946882102.db2.gz XOPLLORCISUXLC-UHFFFAOYSA-N 1 2 379.399 1.244 20 30 GDEDLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000172995791 530620573 /nfs/dbraw/zinc/62/05/73/530620573.db2.gz ZJBWKAYYYRGTAL-UHFFFAOYSA-N 1 2 377.388 1.530 20 30 GDEDLO COc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)nc1Br ZINC000182948088 530807931 /nfs/dbraw/zinc/80/79/31/530807931.db2.gz TUOJEUNQXHGJLK-UHFFFAOYSA-N 1 2 397.273 1.541 20 30 GDEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000106233000 530847672 /nfs/dbraw/zinc/84/76/72/530847672.db2.gz ANBOEOXNICJHBC-UHFFFAOYSA-N 1 2 379.873 1.452 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)cs2)CC1 ZINC000112904320 530885585 /nfs/dbraw/zinc/88/55/85/530885585.db2.gz YXVBWYVGZQYCER-UHFFFAOYSA-N 1 2 384.299 1.408 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)cs2)CC1 ZINC000112904320 530885587 /nfs/dbraw/zinc/88/55/87/530885587.db2.gz YXVBWYVGZQYCER-UHFFFAOYSA-N 1 2 384.299 1.408 20 30 GDEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000248628978 531079973 /nfs/dbraw/zinc/07/99/73/531079973.db2.gz QZMQJENTZQZYFN-XGZNKIABSA-N 1 2 382.555 1.156 20 30 GDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000248628978 531079974 /nfs/dbraw/zinc/07/99/74/531079974.db2.gz QZMQJENTZQZYFN-XGZNKIABSA-N 1 2 382.555 1.156 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000277963033 531322982 /nfs/dbraw/zinc/32/29/82/531322982.db2.gz IAQPVZUURKXPFZ-UHFFFAOYSA-N 1 2 397.273 1.167 20 30 GDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc(Br)cc1C#N ZINC000528134185 531342481 /nfs/dbraw/zinc/34/24/81/531342481.db2.gz WUZJWNFRKBEQEM-INIZCTEOSA-N 1 2 381.274 1.743 20 30 GDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ncc(Br)cc1C#N ZINC000528134185 531342487 /nfs/dbraw/zinc/34/24/87/531342487.db2.gz WUZJWNFRKBEQEM-INIZCTEOSA-N 1 2 381.274 1.743 20 30 GDEDLO CCN(C(=O)[C@H](C)O[NH+]=C(N)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000267341755 531421100 /nfs/dbraw/zinc/42/11/00/531421100.db2.gz NYILWPGKRZAPKI-SMDDNHRTSA-N 1 2 387.889 1.401 20 30 GDEDLO CCN(CC)S(=O)(=O)c1ccc(SC[C@H](O)C[N@H+](C)CCC#N)nc1 ZINC000414104960 531430793 /nfs/dbraw/zinc/43/07/93/531430793.db2.gz ZKZHPKILURORJA-CQSZACIVSA-N 1 2 386.543 1.411 20 30 GDEDLO CCN(CC)S(=O)(=O)c1ccc(SC[C@H](O)C[N@@H+](C)CCC#N)nc1 ZINC000414104960 531430799 /nfs/dbraw/zinc/43/07/99/531430799.db2.gz ZKZHPKILURORJA-CQSZACIVSA-N 1 2 386.543 1.411 20 30 GDEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000267487614 531429367 /nfs/dbraw/zinc/42/93/67/531429367.db2.gz YVXXRASGEBXGFM-YPMHNXCESA-N 1 2 387.889 1.205 20 30 GDEDLO Cc1cc(Br)cn2cc(CNS(=O)(=O)N(C)CCC#N)[nH+]c12 ZINC000544730778 531486982 /nfs/dbraw/zinc/48/69/82/531486982.db2.gz JYSOOSUXUIAFCU-UHFFFAOYSA-N 1 2 386.275 1.585 20 30 GDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449844786 531478278 /nfs/dbraw/zinc/47/82/78/531478278.db2.gz XHTMSEMXFYLRGG-GFCCVEGCSA-N 1 2 382.258 1.536 20 30 GDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449844786 531478280 /nfs/dbraw/zinc/47/82/80/531478280.db2.gz XHTMSEMXFYLRGG-GFCCVEGCSA-N 1 2 382.258 1.536 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000451303202 531585047 /nfs/dbraw/zinc/58/50/47/531585047.db2.gz QKUIQFCXJRJDJI-CJNGLKHVSA-N 1 2 383.901 1.747 20 30 GDEDLO N#C[C@@H]1CN(S(=O)(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCO1 ZINC000451611924 531646718 /nfs/dbraw/zinc/64/67/18/531646718.db2.gz ZCCJOLXJWRKTKN-GFCCVEGCSA-N 1 2 381.845 1.084 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)c2cccc(Cl)c2F)nc1 ZINC000561783127 531724647 /nfs/dbraw/zinc/72/46/47/531724647.db2.gz CFALKJHHMKQUJJ-AWEZNQCLSA-N 1 2 383.832 1.843 20 30 GDEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@](O)(CC#N)C3)[nH+]c12 ZINC000592009653 531748713 /nfs/dbraw/zinc/74/87/13/531748713.db2.gz GYAHUJBXIAMZQZ-MRXNPFEDSA-N 1 2 392.257 1.965 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000511649019 531796164 /nfs/dbraw/zinc/79/61/64/531796164.db2.gz RBHVKJLQEANKKD-HIFRSBDPSA-N 1 2 376.400 1.825 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000511649019 531796175 /nfs/dbraw/zinc/79/61/75/531796175.db2.gz RBHVKJLQEANKKD-HIFRSBDPSA-N 1 2 376.400 1.825 20 30 GDEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000283478166 531868182 /nfs/dbraw/zinc/86/81/82/531868182.db2.gz HJCGULTVLWPPJK-UHFFFAOYSA-N 1 2 388.287 1.009 20 30 GDEDLO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000568509955 531909421 /nfs/dbraw/zinc/90/94/21/531909421.db2.gz JJYARJHWPKQBRR-JTQLQIEISA-N 1 2 394.241 1.844 20 30 GDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419650586 531947625 /nfs/dbraw/zinc/94/76/25/531947625.db2.gz OCVRTIIFXYXSGN-NSHDSACASA-N 1 2 395.257 1.096 20 30 GDEDLO COc1ccc(Br)cc1CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329958435 532111550 /nfs/dbraw/zinc/11/15/50/532111550.db2.gz QQUWKAVOLYQSBS-ZFWWWQNUSA-N 1 2 384.274 1.887 20 30 GDEDLO COc1ccc(Br)cc1CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329958435 532111553 /nfs/dbraw/zinc/11/15/53/532111553.db2.gz QQUWKAVOLYQSBS-ZFWWWQNUSA-N 1 2 384.274 1.887 20 30 GDEDLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCO[C@H](C#N)C3)[nH+]c12 ZINC000273570268 532157289 /nfs/dbraw/zinc/15/72/89/532157289.db2.gz KLLAGJKBDKJBTE-CQSZACIVSA-N 1 2 392.257 1.882 20 30 GDEDLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000826183113 607641142 /nfs/dbraw/zinc/64/11/42/607641142.db2.gz DVWPGYAJYQLZJB-ZDUSSCGKSA-N 1 2 391.439 1.248 20 30 GDEDLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000826183113 607641143 /nfs/dbraw/zinc/64/11/43/607641143.db2.gz DVWPGYAJYQLZJB-ZDUSSCGKSA-N 1 2 391.439 1.248 20 30 GDEDLO Cc1cc(I)ccc1NC(=O)CO[NH+]=C(N)CCO ZINC000121309390 644678893 /nfs/dbraw/zinc/67/88/93/644678893.db2.gz QRIIFFCMVWYDDW-UHFFFAOYSA-N 1 2 377.182 1.209 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)c(Br)c2)CC1 ZINC000176772435 644913208 /nfs/dbraw/zinc/91/32/08/644913208.db2.gz VXFDNILXDVJAON-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)c(Br)c2)CC1 ZINC000176772435 644913210 /nfs/dbraw/zinc/91/32/10/644913210.db2.gz VXFDNILXDVJAON-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO CC1(C)CN(S(=O)(=O)c2c(C#N)sc3ccccc32)CC[N@@H+]1CCO ZINC000907142221 659680193 /nfs/dbraw/zinc/68/01/93/659680193.db2.gz XEUDIQSBDUYVFP-UHFFFAOYSA-N 1 2 379.507 1.850 20 30 GDEDLO CC1(C)CN(S(=O)(=O)c2c(C#N)sc3ccccc32)CC[N@H+]1CCO ZINC000907142221 659680196 /nfs/dbraw/zinc/68/01/96/659680196.db2.gz XEUDIQSBDUYVFP-UHFFFAOYSA-N 1 2 379.507 1.850 20 30 GDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781894583 654819892 /nfs/dbraw/zinc/81/98/92/654819892.db2.gz IRHGFTPEFBJBGO-UHFFFAOYSA-N 1 2 382.302 1.883 20 30 GDEDLO C#CCNC(=O)CN1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000784147532 654878964 /nfs/dbraw/zinc/87/89/64/654878964.db2.gz KNJACLSAICYJQS-UHFFFAOYSA-N 1 2 378.314 1.749 20 30 GDEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)COc1cccc(Br)c1C#N ZINC000835267149 655094590 /nfs/dbraw/zinc/09/45/90/655094590.db2.gz QSLGLFUSNVPTKA-GFCCVEGCSA-N 1 2 383.242 1.963 20 30 GDEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(Br)cc2C#N)C1 ZINC000866958244 655981638 /nfs/dbraw/zinc/98/16/38/655981638.db2.gz VMWGTEWWJTXENV-LBPRGKRZSA-N 1 2 375.244 1.360 20 30 GDEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(Br)cc2C#N)C1 ZINC000866958244 655981639 /nfs/dbraw/zinc/98/16/39/655981639.db2.gz VMWGTEWWJTXENV-LBPRGKRZSA-N 1 2 375.244 1.360 20 30 GDEDLO C=C(Br)CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000875519545 656544868 /nfs/dbraw/zinc/54/48/68/656544868.db2.gz HSXWLCKFGWZTMC-AWEZNQCLSA-N 1 2 396.285 1.411 20 30 GDEDLO C=C(Br)CNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000875519545 656544871 /nfs/dbraw/zinc/54/48/71/656544871.db2.gz HSXWLCKFGWZTMC-AWEZNQCLSA-N 1 2 396.285 1.411 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000923590432 656572937 /nfs/dbraw/zinc/57/29/37/656572937.db2.gz WNBVEZCXKIPEEB-CQSZACIVSA-N 1 2 381.523 1.360 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000923590432 656572938 /nfs/dbraw/zinc/57/29/38/656572938.db2.gz WNBVEZCXKIPEEB-CQSZACIVSA-N 1 2 381.523 1.360 20 30 GDEDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(Br)c(C#N)n1)[NH+]1CCOCC1 ZINC000883087464 657268948 /nfs/dbraw/zinc/26/89/48/657268948.db2.gz XUFTYYLWLORRFZ-WDEREUQCSA-N 1 2 382.262 1.946 20 30 GDEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)[C@@H]2C1 ZINC001076075679 677680333 /nfs/dbraw/zinc/68/03/33/677680333.db2.gz IMNYGJLJPHVFNZ-DSJMHWKBSA-N 1 2 379.302 1.965 20 30 GDEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)[C@@H]2C1 ZINC001076075679 677680334 /nfs/dbraw/zinc/68/03/34/677680334.db2.gz IMNYGJLJPHVFNZ-DSJMHWKBSA-N 1 2 379.302 1.965 20 30 GDEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)[nH]1 ZINC001571155374 952695876 /nfs/dbraw/zinc/69/58/76/952695876.db2.gz PRYJXEMYYJUIAL-AWEZNQCLSA-N 1 2 380.387 1.210 20 30 GDEDLO N#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)[nH]1 ZINC001571155374 952695879 /nfs/dbraw/zinc/69/58/79/952695879.db2.gz PRYJXEMYYJUIAL-AWEZNQCLSA-N 1 2 380.387 1.210 20 30 GDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)s1 ZINC001571210425 953072320 /nfs/dbraw/zinc/07/23/20/953072320.db2.gz RMHOKBBKWWRABJ-GFCCVEGCSA-N 1 2 382.453 1.522 20 30 GDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)s1 ZINC001571210425 953072324 /nfs/dbraw/zinc/07/23/24/953072324.db2.gz RMHOKBBKWWRABJ-GFCCVEGCSA-N 1 2 382.453 1.522 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000055549336 530708934 /nfs/dbraw/zinc/70/89/34/530708934.db2.gz MEABEXBENQUYQQ-UHFFFAOYSA-N 1 2 377.388 1.578 20 30 GDEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[NH+](CCCO)CC2)c1 ZINC000182444113 530799679 /nfs/dbraw/zinc/79/96/79/530799679.db2.gz MOPVRCNHAXQIEY-UHFFFAOYSA-N 1 2 388.287 1.009 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@@H+]1CCO ZINC000188731719 530900120 /nfs/dbraw/zinc/90/01/20/530900120.db2.gz HZNRLFVWADKKKP-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1CCO ZINC000188731719 530900121 /nfs/dbraw/zinc/90/01/21/530900121.db2.gz HZNRLFVWADKKKP-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000121999448 530965164 /nfs/dbraw/zinc/96/51/64/530965164.db2.gz QEBPBNOGKXBGPE-LBPRGKRZSA-N 1 2 378.416 1.737 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)s2)CC1 ZINC000264160094 531171000 /nfs/dbraw/zinc/17/10/00/531171000.db2.gz KBQRJEMTXYDXLT-UHFFFAOYSA-N 1 2 384.299 1.408 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)s2)CC1 ZINC000264160094 531171002 /nfs/dbraw/zinc/17/10/02/531171002.db2.gz KBQRJEMTXYDXLT-UHFFFAOYSA-N 1 2 384.299 1.408 20 30 GDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000276858091 531234842 /nfs/dbraw/zinc/23/48/42/531234842.db2.gz AVAOYRPYKKIBFL-OAHLLOKOSA-N 1 2 383.901 1.943 20 30 GDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000276858091 531234849 /nfs/dbraw/zinc/23/48/49/531234849.db2.gz AVAOYRPYKKIBFL-OAHLLOKOSA-N 1 2 383.901 1.943 20 30 GDEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000267020011 531388352 /nfs/dbraw/zinc/38/83/52/531388352.db2.gz JOLSMXKCDJCPFN-GFCCVEGCSA-N 1 2 385.873 1.470 20 30 GDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)cc1I ZINC000414130704 531432644 /nfs/dbraw/zinc/43/26/44/531432644.db2.gz XOZAWQXMCBQPKM-GFCCVEGCSA-N 1 2 385.205 1.748 20 30 GDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)cc1I ZINC000414130704 531432646 /nfs/dbraw/zinc/43/26/46/531432646.db2.gz XOZAWQXMCBQPKM-GFCCVEGCSA-N 1 2 385.205 1.748 20 30 GDEDLO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(C)C ZINC000451430222 531615394 /nfs/dbraw/zinc/61/53/94/531615394.db2.gz NFDXDDWUTOEGML-IAGOWNOFSA-N 1 2 392.587 1.429 20 30 GDEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000452109979 531765677 /nfs/dbraw/zinc/76/56/77/531765677.db2.gz ZXMNHWSENPFRIT-LLVKDONJSA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000452109979 531765683 /nfs/dbraw/zinc/76/56/83/531765683.db2.gz ZXMNHWSENPFRIT-LLVKDONJSA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 ZINC000564966974 531871727 /nfs/dbraw/zinc/87/17/27/531871727.db2.gz OMFGZEAJGMQSFS-ZDUSSCGKSA-N 1 2 376.251 1.643 20 30 GDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000330859978 532131288 /nfs/dbraw/zinc/13/12/88/532131288.db2.gz KKABXVJDAATJEJ-NSHDSACASA-N 1 2 376.866 1.368 20 30 GDEDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000330859978 532131289 /nfs/dbraw/zinc/13/12/89/532131289.db2.gz KKABXVJDAATJEJ-NSHDSACASA-N 1 2 376.866 1.368 20 30 GDEDLO C[N@@H+]1CCO[C@@H](C[NH+]=C([O-])Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000330859978 532131292 /nfs/dbraw/zinc/13/12/92/532131292.db2.gz KKABXVJDAATJEJ-NSHDSACASA-N 1 2 376.866 1.368 20 30 GDEDLO C[N@H+]1CCO[C@@H](C[NH+]=C([O-])Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000330859978 532131294 /nfs/dbraw/zinc/13/12/94/532131294.db2.gz KKABXVJDAATJEJ-NSHDSACASA-N 1 2 376.866 1.368 20 30 GDEDLO COCCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000287203430 532201762 /nfs/dbraw/zinc/20/17/62/532201762.db2.gz IHYDGZRKIKEQFC-UHFFFAOYSA-N 1 2 395.301 1.201 20 30 GDEDLO C#CCC[NH+]1CCC(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[nH]n3)c2C)CC1 ZINC000735374936 598930454 /nfs/dbraw/zinc/93/04/54/598930454.db2.gz GPWROPQINJRZLX-UHFFFAOYSA-N 1 2 397.483 1.121 20 30 GDEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)C1CC1 ZINC000735503482 598249936 /nfs/dbraw/zinc/24/99/36/598249936.db2.gz HYMOLXYLLUYOSU-HXUWFJFHSA-N 1 2 395.467 1.518 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000735420744 598269948 /nfs/dbraw/zinc/26/99/48/598269948.db2.gz RRJHVDAAXWMBGH-OAHLLOKOSA-N 1 2 385.472 1.285 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000735420744 598269951 /nfs/dbraw/zinc/26/99/51/598269951.db2.gz RRJHVDAAXWMBGH-OAHLLOKOSA-N 1 2 385.472 1.285 20 30 GDEDLO C=CC[NH+]1CCC(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[nH]n3)c2C)CC1 ZINC000735426277 598361418 /nfs/dbraw/zinc/36/14/18/598361418.db2.gz OEBWPQONBGSAPP-UHFFFAOYSA-N 1 2 385.472 1.283 20 30 GDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000820803623 606785174 /nfs/dbraw/zinc/78/51/74/606785174.db2.gz DHPHMINSVXBPOR-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000820803623 606785175 /nfs/dbraw/zinc/78/51/75/606785175.db2.gz DHPHMINSVXBPOR-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO C#CCNC(=S)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000823850047 607966838 /nfs/dbraw/zinc/96/68/38/607966838.db2.gz JBOUTNSSHQTZNW-UHFFFAOYSA-N 1 2 378.465 1.045 20 30 GDEDLO C=CC[N@H+](CC(=O)N1CCOC[C@H]1C1CC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903531 608253406 /nfs/dbraw/zinc/25/34/06/608253406.db2.gz CIDMVSCZYGHNCN-SFHVURJKSA-N 1 2 382.468 1.492 20 30 GDEDLO C=CC[N@@H+](CC(=O)N1CCOC[C@H]1C1CC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903531 608253409 /nfs/dbraw/zinc/25/34/09/608253409.db2.gz CIDMVSCZYGHNCN-SFHVURJKSA-N 1 2 382.468 1.492 20 30 GDEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4ccccc4-c4nn[nH]n4)CC3)n2c1 ZINC000826386420 608515577 /nfs/dbraw/zinc/51/55/77/608515577.db2.gz CYBSSSWXAZLQGN-UHFFFAOYSA-N 1 2 385.435 1.708 20 30 GDEDLO C=CCOc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000823931868 608832921 /nfs/dbraw/zinc/83/29/21/608832921.db2.gz ILXPPUBOBDQJAT-HNNXBMFYSA-N 1 2 392.467 1.932 20 30 GDEDLO C=CCOc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000823931868 608832923 /nfs/dbraw/zinc/83/29/23/608832923.db2.gz ILXPPUBOBDQJAT-HNNXBMFYSA-N 1 2 392.467 1.932 20 30 GDEDLO N#Cc1cc(Br)cc(S(=O)(=O)NCC[NH+]2CCSCC2)c1 ZINC000443479627 647210196 /nfs/dbraw/zinc/21/01/96/647210196.db2.gz ZYYSMLYMCBHJOD-UHFFFAOYSA-N 1 2 390.328 1.648 20 30 GDEDLO C[C@H]1C[N@H+](CCNC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000571748457 651082044 /nfs/dbraw/zinc/08/20/44/651082044.db2.gz UCQRPMUKZAYYFS-LBPRGKRZSA-N 1 2 382.258 1.536 20 30 GDEDLO C[C@H]1C[N@@H+](CCNC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000571748457 651082045 /nfs/dbraw/zinc/08/20/45/651082045.db2.gz UCQRPMUKZAYYFS-LBPRGKRZSA-N 1 2 382.258 1.536 20 30 GDEDLO C#CCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787885287 654974541 /nfs/dbraw/zinc/97/45/41/654974541.db2.gz QXFQEYREIFOTSP-UHFFFAOYSA-N 1 2 393.285 1.279 20 30 GDEDLO C#CC[NH+]1CCN(c2ncnc3cccc(I)c32)CC1 ZINC000762790958 655176886 /nfs/dbraw/zinc/17/68/86/655176886.db2.gz RXPBNPPREKNYOU-UHFFFAOYSA-N 1 2 378.217 1.990 20 30 GDEDLO C#CC[C@@H]1NC(=O)N(CCc2cn3cc(Br)cc(C)c3[nH+]2)C1=O ZINC000842243491 655360173 /nfs/dbraw/zinc/36/01/73/655360173.db2.gz HRJMABJLIHSPKM-ZDUSSCGKSA-N 1 2 375.226 1.891 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000822133417 655440802 /nfs/dbraw/zinc/44/08/02/655440802.db2.gz UVIYGMKJARFMMC-GFCCVEGCSA-N 1 2 380.495 1.083 20 30 GDEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ncc(Br)cc2C#N)CC1 ZINC000827606978 655513804 /nfs/dbraw/zinc/51/38/04/655513804.db2.gz QPPCAGPFBSZIID-UHFFFAOYSA-N 1 2 387.303 1.637 20 30 GDEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000864879445 655907744 /nfs/dbraw/zinc/90/77/44/655907744.db2.gz KNVAPGCFRPZXCY-UONOGXRCSA-N 1 2 375.897 1.859 20 30 GDEDLO C#CCC[NH+]1CCC(NS(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000906068757 659516888 /nfs/dbraw/zinc/51/68/88/659516888.db2.gz XTANQXUYJKXHFH-DEOSSOPVSA-N 1 2 387.502 1.605 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cnc1C#N ZINC001164700404 719845870 /nfs/dbraw/zinc/84/58/70/719845870.db2.gz KDXSDDKLNPGBKG-SJKOYZFVSA-N 1 2 379.848 1.234 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1C#N ZINC001164699468 719850731 /nfs/dbraw/zinc/85/07/31/719850731.db2.gz FMBZAQVSMVYCMO-KDOFPFPSSA-N 1 2 389.412 1.094 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(C)c1C#N ZINC001164700122 719855662 /nfs/dbraw/zinc/85/56/62/719855662.db2.gz GPSHPTUCFWYLCE-UGSOOPFHSA-N 1 2 393.875 1.543 20 30 GDEDLO Nc1nc(Cl)c(C=[NH+]NCc2ccc(-c3nn[nH]n3)cc2)c(N2CCCC2)n1 ZINC000822907602 946215554 /nfs/dbraw/zinc/21/55/54/946215554.db2.gz VCYLQJKUNJWWLU-UHFFFAOYSA-N 1 2 398.862 1.616 20 30 GDEDLO C[C@](C#N)(NC(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1)C1CC1 ZINC000048059807 530665410 /nfs/dbraw/zinc/66/54/10/530665410.db2.gz GYBQTHLCCQEGFH-QGZVFWFLSA-N 1 2 392.301 1.775 20 30 GDEDLO C=CC[N@@H+](CCOC)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000191089138 530944020 /nfs/dbraw/zinc/94/40/20/530944020.db2.gz MCKPYNQPORKXFW-UHFFFAOYSA-N 1 2 384.274 1.638 20 30 GDEDLO C=CC[N@H+](CCOC)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000191089138 530944024 /nfs/dbraw/zinc/94/40/24/530944024.db2.gz MCKPYNQPORKXFW-UHFFFAOYSA-N 1 2 384.274 1.638 20 30 GDEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)Nc1cccc(I)c1 ZINC000121310331 530953907 /nfs/dbraw/zinc/95/39/07/530953907.db2.gz YVSKMNASVPNTGD-QMMMGPOBSA-N 1 2 377.182 1.289 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000128239658 531038830 /nfs/dbraw/zinc/03/88/30/531038830.db2.gz PRBMRLBCBRCPTL-MFKMUULPSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000128239658 531038835 /nfs/dbraw/zinc/03/88/35/531038835.db2.gz PRBMRLBCBRCPTL-MFKMUULPSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000128240122 531039080 /nfs/dbraw/zinc/03/90/80/531039080.db2.gz PRBMRLBCBRCPTL-ZWNOBZJWSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000128240122 531039083 /nfs/dbraw/zinc/03/90/83/531039083.db2.gz PRBMRLBCBRCPTL-ZWNOBZJWSA-N 1 2 377.388 1.574 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1Br ZINC000432762112 531208992 /nfs/dbraw/zinc/20/89/92/531208992.db2.gz CSQWWSZHXIACDN-UHFFFAOYSA-N 1 2 388.287 1.321 20 30 GDEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000474132998 531269692 /nfs/dbraw/zinc/26/96/92/531269692.db2.gz DFKNBJPIBFPAPM-GFCCVEGCSA-N 1 2 385.873 1.470 20 30 GDEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000266995332 531384602 /nfs/dbraw/zinc/38/46/02/531384602.db2.gz DHCWAIHEXVUALG-LBPRGKRZSA-N 1 2 385.873 1.470 20 30 GDEDLO CCN(C(=O)CO[NH+]=C(N)Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000267850333 531457385 /nfs/dbraw/zinc/45/73/85/531457385.db2.gz BRSAYGOHTHABNS-CYBMUJFWSA-N 1 2 387.889 1.207 20 30 GDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000294357511 531474598 /nfs/dbraw/zinc/47/45/98/531474598.db2.gz KUSVDYYUVYWUDH-UHFFFAOYSA-N 1 2 392.706 1.827 20 30 GDEDLO N#Cc1cccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)c1Br ZINC000449913213 531481640 /nfs/dbraw/zinc/48/16/40/531481640.db2.gz HXKNGSLGGOQWTE-UHFFFAOYSA-N 1 2 389.257 1.370 20 30 GDEDLO CC[C@@H]1C[N@H+](CCNC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000451238108 531574216 /nfs/dbraw/zinc/57/42/16/531574216.db2.gz CUQSDUWTUNYDFL-CYBMUJFWSA-N 1 2 396.285 1.927 20 30 GDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000451238108 531574220 /nfs/dbraw/zinc/57/42/20/531574220.db2.gz CUQSDUWTUNYDFL-CYBMUJFWSA-N 1 2 396.285 1.927 20 30 GDEDLO N#CCc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000451257987 531577179 /nfs/dbraw/zinc/57/71/79/531577179.db2.gz QXUOSWPXDHFDKX-HNNXBMFYSA-N 1 2 383.901 1.891 20 30 GDEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000451274402 531578911 /nfs/dbraw/zinc/57/89/11/531578911.db2.gz XHDAOTKFSHVZKO-DZGCQCFKSA-N 1 2 385.917 1.872 20 30 GDEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000451274402 531578927 /nfs/dbraw/zinc/57/89/27/531578927.db2.gz XHDAOTKFSHVZKO-DZGCQCFKSA-N 1 2 385.917 1.872 20 30 GDEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000451274408 531579345 /nfs/dbraw/zinc/57/93/45/531579345.db2.gz XHDAOTKFSHVZKO-ZFWWWQNUSA-N 1 2 385.917 1.872 20 30 GDEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000451274408 531579353 /nfs/dbraw/zinc/57/93/53/531579353.db2.gz XHDAOTKFSHVZKO-ZFWWWQNUSA-N 1 2 385.917 1.872 20 30 GDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000589826956 531676583 /nfs/dbraw/zinc/67/65/83/531676583.db2.gz KDKWAOOPXDVMOG-INIZCTEOSA-N 1 2 381.274 1.529 20 30 GDEDLO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592145944 531766705 /nfs/dbraw/zinc/76/67/05/531766705.db2.gz BXXJXQRVVPMWTQ-NHYWBVRUSA-N 1 2 399.232 1.969 20 30 GDEDLO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592145944 531766719 /nfs/dbraw/zinc/76/67/19/531766719.db2.gz BXXJXQRVVPMWTQ-NHYWBVRUSA-N 1 2 399.232 1.969 20 30 GDEDLO C=CC[C@H](CO)CNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455959512 531888484 /nfs/dbraw/zinc/88/84/84/531888484.db2.gz VLHMPVMHOQROIV-LBPRGKRZSA-N 1 2 399.289 1.987 20 30 GDEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000302777275 532049872 /nfs/dbraw/zinc/04/98/72/532049872.db2.gz GEFJFSCOEPNDNP-UHFFFAOYSA-N 1 2 378.845 1.095 20 30 GDEDLO N#Cc1ccccc1S(=O)(=O)N1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000302777275 532049877 /nfs/dbraw/zinc/04/98/77/532049877.db2.gz GEFJFSCOEPNDNP-UHFFFAOYSA-N 1 2 378.845 1.095 20 30 GDEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000578442970 532049976 /nfs/dbraw/zinc/04/99/76/532049976.db2.gz QDVWJXKYQVRITN-SNVBAGLBSA-N 1 2 380.214 1.548 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1CCO ZINC000330403602 532121691 /nfs/dbraw/zinc/12/16/91/532121691.db2.gz VNTIVNAZDIZMNI-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1CCO ZINC000330403602 532121695 /nfs/dbraw/zinc/12/16/95/532121695.db2.gz VNTIVNAZDIZMNI-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO N#CCCn1ncc2c1nc[nH+]c2N1CCc2c(sc(N)c2-c2nn[nH]n2)C1 ZINC000737695704 598419995 /nfs/dbraw/zinc/41/99/95/598419995.db2.gz VZCQBYIQVNZMNO-UHFFFAOYSA-N 1 2 393.440 1.126 20 30 GDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735690256 598766354 /nfs/dbraw/zinc/76/63/54/598766354.db2.gz HXOIOGKSLCKPIW-FQEVSTJZSA-N 1 2 397.483 1.764 20 30 GDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826176738 608357830 /nfs/dbraw/zinc/35/78/30/608357830.db2.gz BFZRDFMJEWXVAL-UHFFFAOYSA-N 1 2 376.424 1.464 20 30 GDEDLO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000568309271 650952091 /nfs/dbraw/zinc/95/20/91/650952091.db2.gz RGFRSBJKXDBCAR-JTQLQIEISA-N 1 2 381.255 1.811 20 30 GDEDLO CC(=O)Nc1ncc(S(=O)(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)s1 ZINC000328798534 645277440 /nfs/dbraw/zinc/27/74/40/645277440.db2.gz GGYNLASPNKCDMG-LBPRGKRZSA-N 1 2 376.504 1.386 20 30 GDEDLO CC(=O)Nc1ncc(S(=O)(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)s1 ZINC000328798534 645277447 /nfs/dbraw/zinc/27/74/47/645277447.db2.gz GGYNLASPNKCDMG-LBPRGKRZSA-N 1 2 376.504 1.386 20 30 GDEDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000575059498 651580054 /nfs/dbraw/zinc/58/00/54/651580054.db2.gz YSOXXAUSJAURFG-ZDUSSCGKSA-N 1 2 376.251 1.643 20 30 GDEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000594761101 652358113 /nfs/dbraw/zinc/35/81/13/652358113.db2.gz DEYZKHBHKJKWLQ-UHFFFAOYSA-N 1 2 379.507 1.770 20 30 GDEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000594761101 652358118 /nfs/dbraw/zinc/35/81/18/652358118.db2.gz DEYZKHBHKJKWLQ-UHFFFAOYSA-N 1 2 379.507 1.770 20 30 GDEDLO N#Cc1ccsc1NC(=O)C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602882592 652651972 /nfs/dbraw/zinc/65/19/72/652651972.db2.gz NQBPBMUZTGFUOP-HNNXBMFYSA-N 1 2 380.539 1.698 20 30 GDEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602882592 652651974 /nfs/dbraw/zinc/65/19/74/652651974.db2.gz NQBPBMUZTGFUOP-HNNXBMFYSA-N 1 2 380.539 1.698 20 30 GDEDLO Cc1ccc(-n2c(Cl)c(C=[NH+]NCCS(C)(=O)=O)nc2N(C)C)cc1 ZINC000733205879 654502364 /nfs/dbraw/zinc/50/23/64/654502364.db2.gz PKCKDMHJRFSNGX-UHFFFAOYSA-N 1 2 383.905 1.868 20 30 GDEDLO C=CCNC(=O)CN1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000775644802 654671112 /nfs/dbraw/zinc/67/11/12/654671112.db2.gz PPIANEKTNWPUCS-UHFFFAOYSA-N 1 2 382.302 1.883 20 30 GDEDLO CC(C)(C)NC(=O)CNC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782948962 654849358 /nfs/dbraw/zinc/84/93/58/654849358.db2.gz OFUSRAAVQDKWQD-UHFFFAOYSA-N 1 2 385.262 1.117 20 30 GDEDLO C#CC[NH+]1CCN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CC1 ZINC000795400439 655175253 /nfs/dbraw/zinc/17/52/53/655175253.db2.gz KELYICGANOOTQB-UHFFFAOYSA-N 1 2 393.241 1.521 20 30 GDEDLO Cc1c(Br)c(C)n(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(=O)c1C#N ZINC000863911533 655883540 /nfs/dbraw/zinc/88/35/40/655883540.db2.gz YWEAYQCWOINZIA-QMMMGPOBSA-N 1 2 378.230 1.771 20 30 GDEDLO Cc1c(Br)c(C)n(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(=O)c1C#N ZINC000863911533 655883545 /nfs/dbraw/zinc/88/35/45/655883545.db2.gz YWEAYQCWOINZIA-QMMMGPOBSA-N 1 2 378.230 1.771 20 30 GDEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865532186 655921307 /nfs/dbraw/zinc/92/13/07/655921307.db2.gz ZGXCYBCWOPVZCH-UHFFFAOYSA-N 1 2 376.404 1.893 20 30 GDEDLO C[C@H](C(=O)NC(N)=O)[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946790 657233405 /nfs/dbraw/zinc/23/34/05/657233405.db2.gz VFYGSLJDYOYSLP-SRQIZXRXSA-N 1 2 383.239 1.673 20 30 GDEDLO C#CC[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CSC1 ZINC000895813495 658731034 /nfs/dbraw/zinc/73/10/34/658731034.db2.gz CCTJVAKWMVFPLK-UHFFFAOYSA-N 1 2 375.313 1.647 20 30 GDEDLO C#CC[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CSC1 ZINC000895813495 658731040 /nfs/dbraw/zinc/73/10/40/658731040.db2.gz CCTJVAKWMVFPLK-UHFFFAOYSA-N 1 2 375.313 1.647 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)c(F)cc1C#N ZINC001164702752 719839354 /nfs/dbraw/zinc/83/93/54/719839354.db2.gz PMYUJAFYCKEJCP-SCLBCKFNSA-N 1 2 396.850 1.978 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(Cl)c(C#N)n1 ZINC001164701500 719842404 /nfs/dbraw/zinc/84/24/04/719842404.db2.gz MHXHVVGUTJXMPM-ACJLOTCBSA-N 1 2 378.860 1.839 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(Cl)nc1C#N ZINC001164700901 719844916 /nfs/dbraw/zinc/84/49/16/719844916.db2.gz LADRMQWOSFTUEL-SJKOYZFVSA-N 1 2 379.848 1.234 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)cc1C#N ZINC001164707097 719846163 /nfs/dbraw/zinc/84/61/63/719846163.db2.gz ZHEZJUGMUXTZLJ-GUYCJALGSA-N 1 2 379.848 1.234 20 30 GDEDLO CCc1nc(C#N)c(C#N)nc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165011554 721719168 /nfs/dbraw/zinc/71/91/68/721719168.db2.gz RULSVLGBLUTOFR-UHFFFAOYSA-N 1 2 379.472 1.624 20 30 GDEDLO CCc1nc(C#N)c(C#N)nc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165011554 721719172 /nfs/dbraw/zinc/71/91/72/721719172.db2.gz RULSVLGBLUTOFR-UHFFFAOYSA-N 1 2 379.472 1.624 20 30 GDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573566008 947019664 /nfs/dbraw/zinc/01/96/64/947019664.db2.gz YWZPUGGSUIPEOQ-VBNZEHGJSA-N 1 2 383.431 1.731 20 30 GDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573566008 947019669 /nfs/dbraw/zinc/01/96/69/947019669.db2.gz YWZPUGGSUIPEOQ-VBNZEHGJSA-N 1 2 383.431 1.731 20 30 GDEDLO C=CCC(C)(C)C(=O)NCCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573318658 947311931 /nfs/dbraw/zinc/31/19/31/947311931.db2.gz FDBWPWOFKKHSDI-UHFFFAOYSA-N 1 2 384.488 1.102 20 30 GDEDLO 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CN(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H](O)C[N@H+](C)CCC#N ZINC000414124225 531431627 /nfs/dbraw/zinc/43/16/27/531431627.db2.gz KIBKSIAEVBCFPO-ZDUSSCGKSA-N 1 2 375.878 1.175 20 30 GDEDLO CN(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@@H](O)C[N@@H+](C)CCC#N ZINC000414124225 531431628 /nfs/dbraw/zinc/43/16/28/531431628.db2.gz KIBKSIAEVBCFPO-ZDUSSCGKSA-N 1 2 375.878 1.175 20 30 GDEDLO C[C@H](C#N)S(=O)(=O)N1CCCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000416379792 531588530 /nfs/dbraw/zinc/58/85/30/531588530.db2.gz AGUAFPDHAXONKI-CYBMUJFWSA-N 1 2 381.889 1.737 20 30 GDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494290275 531594348 /nfs/dbraw/zinc/59/43/48/531594348.db2.gz KETVHIBQQMYWRX-UHFFFAOYSA-N 1 2 399.314 1.961 20 30 GDEDLO N#CCCN(CCC#N)C(=O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494290275 531594361 /nfs/dbraw/zinc/59/43/61/531594361.db2.gz KETVHIBQQMYWRX-UHFFFAOYSA-N 1 2 399.314 1.961 20 30 GDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(C)(C)CO ZINC000451732866 531672255 /nfs/dbraw/zinc/67/22/55/531672255.db2.gz UCDUSCZORGYTAC-AWEZNQCLSA-N 1 2 382.873 1.983 20 30 GDEDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000297550133 531798785 /nfs/dbraw/zinc/79/87/85/531798785.db2.gz QTOHATYDQPRVGX-CYBMUJFWSA-N 1 2 392.301 1.849 20 30 GDEDLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000298277849 531871761 /nfs/dbraw/zinc/87/17/61/531871761.db2.gz IJQUGYLQPGSTSG-CQSZACIVSA-N 1 2 384.889 1.554 20 30 GDEDLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000298277849 531871767 /nfs/dbraw/zinc/87/17/67/531871767.db2.gz IJQUGYLQPGSTSG-CQSZACIVSA-N 1 2 384.889 1.554 20 30 GDEDLO C=CCN1CC[C@@H]([N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O ZINC000374061759 532109587 /nfs/dbraw/zinc/10/95/87/532109587.db2.gz PCSACPLAVCCWGD-LLVKDONJSA-N 1 2 375.420 1.856 20 30 GDEDLO C=CCN1CC[C@@H]([N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1=O ZINC000374061759 532109591 /nfs/dbraw/zinc/10/95/91/532109591.db2.gz PCSACPLAVCCWGD-LLVKDONJSA-N 1 2 375.420 1.856 20 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532179859 /nfs/dbraw/zinc/17/98/59/532179859.db2.gz HMPPBPQTWSPIBC-CYBMUJFWSA-N 1 2 378.230 1.839 20 30 GDEDLO N#Cc1cc(Br)ccc1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000287458264 532216401 /nfs/dbraw/zinc/21/64/01/532216401.db2.gz VTJNPUWOHYTIIN-UHFFFAOYSA-N 1 2 377.286 1.717 20 30 GDEDLO CN1C(=O)NC2(CC[NH+](Cc3ccc(Br)cc3C#N)CC2)C1=O ZINC000287743989 532238345 /nfs/dbraw/zinc/23/83/45/532238345.db2.gz LHQZJZOVRNDVQL-UHFFFAOYSA-N 1 2 377.242 1.837 20 30 GDEDLO CC[NH+]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC000289003681 532313427 /nfs/dbraw/zinc/31/34/27/532313427.db2.gz UFTLYADGKDXHNR-UHFFFAOYSA-N 1 2 376.251 1.786 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000820789055 606782095 /nfs/dbraw/zinc/78/20/95/606782095.db2.gz UQKSNBPXIONHJG-AWEZNQCLSA-N 1 2 391.439 1.118 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000820789055 606782097 /nfs/dbraw/zinc/78/20/97/606782097.db2.gz UQKSNBPXIONHJG-AWEZNQCLSA-N 1 2 391.439 1.118 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCOc1ccccc1C#N ZINC000820788624 606785540 /nfs/dbraw/zinc/78/55/40/606785540.db2.gz KWGGEHWSFNBYSL-CQSZACIVSA-N 1 2 391.439 1.118 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCOc1ccccc1C#N ZINC000820788624 606785542 /nfs/dbraw/zinc/78/55/42/606785542.db2.gz KWGGEHWSFNBYSL-CQSZACIVSA-N 1 2 391.439 1.118 20 30 GDEDLO NC(=[NH+]OCC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CCO2 ZINC000826388029 607812037 /nfs/dbraw/zinc/81/20/37/607812037.db2.gz GACRWKBOLQJMRH-UHFFFAOYSA-N 1 2 379.380 1.077 20 30 GDEDLO N#Cc1cccnc1N1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826387319 608509530 /nfs/dbraw/zinc/50/95/30/608509530.db2.gz PGIOBUJXWJNUGK-UHFFFAOYSA-N 1 2 386.423 1.103 20 30 GDEDLO Cn1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360121 609306887 /nfs/dbraw/zinc/30/68/87/609306887.db2.gz YFBDGNCKTDPZPO-HZPDHXFCSA-N 1 2 390.455 1.461 20 30 GDEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000466712933 647616692 /nfs/dbraw/zinc/61/66/92/647616692.db2.gz JQXCOWKHOYMRPL-UHFFFAOYSA-N 1 2 384.483 1.548 20 30 GDEDLO N#Cc1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1Br ZINC000497536276 648031564 /nfs/dbraw/zinc/03/15/64/648031564.db2.gz IOCVZXKSWBSERZ-UHFFFAOYSA-N 1 2 376.214 1.662 20 30 GDEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000594780626 652362012 /nfs/dbraw/zinc/36/20/12/652362012.db2.gz SCFRKMNATUZLPY-UHFFFAOYSA-N 1 2 379.507 1.816 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)s1 ZINC000824046899 655470884 /nfs/dbraw/zinc/47/08/84/655470884.db2.gz STDQSQFKNIBSBI-LBPRGKRZSA-N 1 2 380.495 1.083 20 30 GDEDLO C=C(C[NH+](C)C)C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000857723826 655740388 /nfs/dbraw/zinc/74/03/88/655740388.db2.gz FJDXMJRSUHRGFY-ZJUUUORDSA-N 1 2 375.313 1.705 20 30 GDEDLO N#Cc1ccc(Br)c(Cn2cc(C[NH+]3CCC(O)CC3)nn2)c1 ZINC000883991993 657319395 /nfs/dbraw/zinc/31/93/95/657319395.db2.gz XRSWNMMMFQFPEW-UHFFFAOYSA-N 1 2 376.258 1.917 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2c(Br)ccc(F)c2C1 ZINC000884326313 657346812 /nfs/dbraw/zinc/34/68/12/657346812.db2.gz PLECLGXNJUCOHB-AWEZNQCLSA-N 1 2 385.233 1.920 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(Br)c2)C1 ZINC000891606324 658254887 /nfs/dbraw/zinc/25/48/87/658254887.db2.gz KSLWEJRXIBDKGQ-ZDUSSCGKSA-N 1 2 394.269 1.610 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC)c(Br)c2)C1 ZINC000891606324 658254891 /nfs/dbraw/zinc/25/48/91/658254891.db2.gz KSLWEJRXIBDKGQ-ZDUSSCGKSA-N 1 2 394.269 1.610 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(Br)c2)C1 ZINC000891606323 658254898 /nfs/dbraw/zinc/25/48/98/658254898.db2.gz KSLWEJRXIBDKGQ-CYBMUJFWSA-N 1 2 394.269 1.610 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC)c(Br)c2)C1 ZINC000891606323 658254900 /nfs/dbraw/zinc/25/49/00/658254900.db2.gz KSLWEJRXIBDKGQ-CYBMUJFWSA-N 1 2 394.269 1.610 20 30 GDEDLO CN(Cc1cc(C#N)cs1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000892930627 658361033 /nfs/dbraw/zinc/36/10/33/658361033.db2.gz XGOVYRJVAWJRFO-UHFFFAOYSA-N 1 2 384.527 1.270 20 30 GDEDLO N#Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)ccc1Br ZINC000903500443 659319448 /nfs/dbraw/zinc/31/94/48/659319448.db2.gz SKWFNLYUQORPCK-NSHDSACASA-N 1 2 380.214 1.548 20 30 GDEDLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C#N)c4ccccc4n3)CC2)C1=O ZINC001164644977 719279638 /nfs/dbraw/zinc/27/96/38/719279638.db2.gz YQJJQHLYTSBELP-UHFFFAOYSA-N 1 2 393.491 1.866 20 30 GDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C#N)c4ccccc4n3)CC2)C1=O ZINC001164644977 719279640 /nfs/dbraw/zinc/27/96/40/719279640.db2.gz YQJJQHLYTSBELP-UHFFFAOYSA-N 1 2 393.491 1.866 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc(Cl)c1C#N ZINC001164703919 719845723 /nfs/dbraw/zinc/84/57/23/719845723.db2.gz REYKLFYYYQJSOX-PXAZEXFGSA-N 1 2 379.848 1.234 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2[nH]c(C#N)cc2n1 ZINC001164708091 719866578 /nfs/dbraw/zinc/86/65/78/719866578.db2.gz XQACGWLQBNDTOK-QRWLVFNGSA-N 1 2 383.452 1.667 20 30 GDEDLO Cc1nn(-c2cc[nH+]cc2)cc1C=Nn1c(C)cc(C)c(-c2nn[nH]n2)c1=O ZINC000826265645 947766902 /nfs/dbraw/zinc/76/69/02/947766902.db2.gz HZPVXKUTBJYKSW-UHFFFAOYSA-N 1 2 375.396 1.417 20 30 GDEDLO CC(C)(C)C#CC(=O)NC[C@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573793729 949305254 /nfs/dbraw/zinc/30/52/54/949305254.db2.gz XNZIPBQRFKAFDY-KRWDZBQOSA-N 1 2 382.468 1.233 20 30 GDEDLO CC(C)(C)C#CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573793729 949305272 /nfs/dbraw/zinc/30/52/72/949305272.db2.gz XNZIPBQRFKAFDY-KRWDZBQOSA-N 1 2 382.468 1.233 20 30 GDEDLO C[C@@H]1C[NH+]=C(N2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)S1 ZINC000175804378 530670654 /nfs/dbraw/zinc/67/06/54/530670654.db2.gz MPUMSJVTZJUWIC-CQSZACIVSA-N 1 2 378.523 1.441 20 30 GDEDLO C[N@H+](CC(=O)NCC#N)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191349959 530947460 /nfs/dbraw/zinc/94/74/60/530947460.db2.gz PCXYTFKKONPOLR-UHFFFAOYSA-N 1 2 384.274 1.670 20 30 GDEDLO C[N@@H+](CC(=O)NCC#N)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191349959 530947462 /nfs/dbraw/zinc/94/74/62/530947462.db2.gz PCXYTFKKONPOLR-UHFFFAOYSA-N 1 2 384.274 1.670 20 30 GDEDLO C[N@H+]1CCO[C@H]([C@@H](NS(=O)(=O)CC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000248625811 531080241 /nfs/dbraw/zinc/08/02/41/531080241.db2.gz FPWAHOFWHUXFID-HOTGVXAUSA-N 1 2 383.901 1.935 20 30 GDEDLO N#Cc1cc(Br)cc(S(=O)(=O)NCCC[NH+]2CCOCC2)c1 ZINC000153965925 531174862 /nfs/dbraw/zinc/17/48/62/531174862.db2.gz LSWQASSSVCMZIQ-UHFFFAOYSA-N 1 2 388.287 1.321 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)s1 ZINC000435434821 531263580 /nfs/dbraw/zinc/26/35/80/531263580.db2.gz ZTYUCNRUSRFWPA-UHFFFAOYSA-N 1 2 377.491 1.930 20 30 GDEDLO COCC(COC)[NH+]1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000413864725 531420414 /nfs/dbraw/zinc/42/04/14/531420414.db2.gz JMSMMNRLVVTWFG-UHFFFAOYSA-N 1 2 396.285 1.740 20 30 GDEDLO CC(C)(CNC(=O)COc1ccc(C#N)c(Br)c1)[NH+]1CCOCC1 ZINC000449042393 531466216 /nfs/dbraw/zinc/46/62/16/531466216.db2.gz REPPSFCMOBOMIU-UHFFFAOYSA-N 1 2 396.285 1.927 20 30 GDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000610614785 531511649 /nfs/dbraw/zinc/51/16/49/531511649.db2.gz DUIBEPFVZNWUKH-GFCCVEGCSA-N 1 2 384.889 1.506 20 30 GDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610614785 531511656 /nfs/dbraw/zinc/51/16/56/531511656.db2.gz DUIBEPFVZNWUKH-GFCCVEGCSA-N 1 2 384.889 1.506 20 30 GDEDLO N#CCc1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000451248853 531574900 /nfs/dbraw/zinc/57/49/00/531574900.db2.gz PGSUMDXDYCMWIC-HNNXBMFYSA-N 1 2 383.901 1.749 20 30 GDEDLO N#CCc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(Cl)c1 ZINC000451258345 531577120 /nfs/dbraw/zinc/57/71/20/531577120.db2.gz QXUOSWPXDHFDKX-OAHLLOKOSA-N 1 2 383.901 1.891 20 30 GDEDLO C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000583510079 531580775 /nfs/dbraw/zinc/58/07/75/531580775.db2.gz GETUHAYCIDLLLE-LLVKDONJSA-N 1 2 383.455 1.133 20 30 GDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(C)(C)CO ZINC000295860672 531631308 /nfs/dbraw/zinc/63/13/08/531631308.db2.gz XYBNKMYGAGNABO-AWEZNQCLSA-N 1 2 382.873 1.983 20 30 GDEDLO CC1(C)C[NH+]=C(N2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)S1 ZINC000269766882 531748151 /nfs/dbraw/zinc/74/81/51/531748151.db2.gz DQQDUCNCDAGVCL-UHFFFAOYSA-N 1 2 382.486 1.885 20 30 GDEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000452098223 531762007 /nfs/dbraw/zinc/76/20/07/531762007.db2.gz AKTMWLLIAAHBGV-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000452098223 531762015 /nfs/dbraw/zinc/76/20/15/531762015.db2.gz AKTMWLLIAAHBGV-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000452103952 531764352 /nfs/dbraw/zinc/76/43/52/531764352.db2.gz LEOROQKSFQXVNK-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000452103952 531764358 /nfs/dbraw/zinc/76/43/58/531764358.db2.gz LEOROQKSFQXVNK-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO COCCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000282801353 531797635 /nfs/dbraw/zinc/79/76/35/531797635.db2.gz KFBXUFNXHCOQPV-INIZCTEOSA-N 1 2 388.921 1.639 20 30 GDEDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000297550135 531799196 /nfs/dbraw/zinc/79/91/96/531799196.db2.gz QTOHATYDQPRVGX-ZDUSSCGKSA-N 1 2 392.301 1.849 20 30 GDEDLO COc1cc(CN(CCC#N)CC[NH+]2CCOCC2)c(Br)cn1 ZINC000598591972 531987704 /nfs/dbraw/zinc/98/77/04/531987704.db2.gz CWWSYELBJXTDOO-UHFFFAOYSA-N 1 2 383.290 1.901 20 30 GDEDLO NS(=O)(=O)[C@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000329182431 532098299 /nfs/dbraw/zinc/09/82/99/532098299.db2.gz PBBNAWNPRDYTIA-ZDUSSCGKSA-N 1 2 387.531 1.427 20 30 GDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1 ZINC000329543190 532105797 /nfs/dbraw/zinc/10/57/97/532105797.db2.gz FHVQRLCCWKBZRQ-SNVBAGLBSA-N 1 2 397.273 1.815 20 30 GDEDLO C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)c3csc(=O)[nH]3)c2)CC1 ZINC000329961227 532111580 /nfs/dbraw/zinc/11/15/80/532111580.db2.gz SBZOGDXEXXTZKM-UHFFFAOYSA-N 1 2 382.467 1.421 20 30 GDEDLO Cn1cc(Br)c(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000393348389 532300451 /nfs/dbraw/zinc/30/04/51/532300451.db2.gz KVJXDZSOZBNIPC-UHFFFAOYSA-N 1 2 383.271 1.618 20 30 GDEDLO COc1ccc(C(N)=[NH+]OCc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)cc1 ZINC000821777721 599382401 /nfs/dbraw/zinc/38/24/01/599382401.db2.gz LSBLQFVUJLMOCJ-UHFFFAOYSA-N 1 2 392.379 1.762 20 30 GDEDLO NC(=[NH+]OCc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1)c1ccc(F)cc1 ZINC000822850875 599383113 /nfs/dbraw/zinc/38/31/13/599383113.db2.gz SKYVIDQDEBRYTG-UHFFFAOYSA-N 1 2 380.343 1.893 20 30 GDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000819709969 606886487 /nfs/dbraw/zinc/88/64/87/606886487.db2.gz VFBGBXDWGBPDHH-SFHVURJKSA-N 1 2 376.420 1.452 20 30 GDEDLO C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000819709969 606886488 /nfs/dbraw/zinc/88/64/88/606886488.db2.gz VFBGBXDWGBPDHH-SFHVURJKSA-N 1 2 376.420 1.452 20 30 GDEDLO N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000550651078 650596104 /nfs/dbraw/zinc/59/61/04/650596104.db2.gz MBDQKXLZUUJXCG-GFCCVEGCSA-N 1 2 388.225 1.587 20 30 GDEDLO C=C(Br)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000132623546 644749735 /nfs/dbraw/zinc/74/97/35/644749735.db2.gz VDQWSBAYIVFXGH-UHFFFAOYSA-N 1 2 381.274 1.535 20 30 GDEDLO COCCCN1c2ccc(Br)cc2C(=NNC2=[NH+]C[C@H](C)N2)C1=O ZINC000779791438 654767955 /nfs/dbraw/zinc/76/79/55/654767955.db2.gz CRIVWOVTIXVLIO-JTQLQIEISA-N 1 2 394.273 1.474 20 30 GDEDLO CN(Cc1cnn(C)c1)C(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000782948620 654849167 /nfs/dbraw/zinc/84/91/67/654849167.db2.gz MPJRGXWDZPRJMS-UHFFFAOYSA-N 1 2 380.246 1.478 20 30 GDEDLO COCCCN1c2ccc(Br)cc2C(=NNC2=[NH+]CCN2)C1=O ZINC000841658474 655351816 /nfs/dbraw/zinc/35/18/16/655351816.db2.gz CGGDYHFWACDSNU-UHFFFAOYSA-N 1 2 380.246 1.085 20 30 GDEDLO Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c(=O)c1C#N ZINC000848376180 655488820 /nfs/dbraw/zinc/48/88/20/655488820.db2.gz MOTQBEFQVZVWAB-LLVKDONJSA-N 1 2 390.241 1.629 20 30 GDEDLO C=CC[NH+]1CCC(NS(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)CC1 ZINC000866744285 655958227 /nfs/dbraw/zinc/95/82/27/655958227.db2.gz GIVXUDWRGPESTP-QHCPKHFHSA-N 1 2 375.491 1.767 20 30 GDEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2cc(Br)ccc2C#N)C1 ZINC000867375372 656048677 /nfs/dbraw/zinc/04/86/77/656048677.db2.gz AYFHYSSNEWTJSO-GFCCVEGCSA-N 1 2 375.244 1.360 20 30 GDEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2cc(Br)ccc2C#N)C1 ZINC000867375372 656048679 /nfs/dbraw/zinc/04/86/79/656048679.db2.gz AYFHYSSNEWTJSO-GFCCVEGCSA-N 1 2 375.244 1.360 20 30 GDEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Br)c(C#N)n2)[C@@H](C)CO1 ZINC000883116916 657273378 /nfs/dbraw/zinc/27/33/78/657273378.db2.gz KEMDUHJCSUMFPC-WDEREUQCSA-N 1 2 382.262 1.946 20 30 GDEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Br)c(C#N)n2)[C@@H](C)CO1 ZINC000883116916 657273381 /nfs/dbraw/zinc/27/33/81/657273381.db2.gz KEMDUHJCSUMFPC-WDEREUQCSA-N 1 2 382.262 1.946 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(OC)c(Br)c(OC)c1 ZINC000884322173 657345749 /nfs/dbraw/zinc/34/57/49/657345749.db2.gz HCGKRFKXNBKGPO-JTQLQIEISA-N 1 2 387.230 1.851 20 30 GDEDLO Cc1cc(C#N)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc1C ZINC001164709009 719902501 /nfs/dbraw/zinc/90/25/01/719902501.db2.gz PGOWKHXSEMAMLX-UHFFFAOYSA-N 1 2 393.495 1.254 20 30 GDEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc3c(cc2C#N)COCC3)CC1 ZINC001164918072 721820740 /nfs/dbraw/zinc/82/07/40/721820740.db2.gz AIMULIDVHLYDIF-UHFFFAOYSA-N 1 2 378.480 1.972 20 30 GDEDLO N#Cc1cnc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946782 721971311 /nfs/dbraw/zinc/97/13/11/721971311.db2.gz WEEIETZDUZMXGU-UHFFFAOYSA-N 1 2 396.882 1.973 20 30 GDEDLO N#Cc1cnc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946782 721971314 /nfs/dbraw/zinc/97/13/14/721971314.db2.gz WEEIETZDUZMXGU-UHFFFAOYSA-N 1 2 396.882 1.973 20 30 GDEDLO N#Cc1cc(Cl)nnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164943743 721971322 /nfs/dbraw/zinc/97/13/22/721971322.db2.gz DBVGIDJJLDXIFE-UHFFFAOYSA-N 1 2 396.882 1.973 20 30 GDEDLO N#Cc1cc(Cl)nnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164943743 721971325 /nfs/dbraw/zinc/97/13/25/721971325.db2.gz DBVGIDJJLDXIFE-UHFFFAOYSA-N 1 2 396.882 1.973 20 30 GDEDLO Cc1nc(C#N)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164946449 721981614 /nfs/dbraw/zinc/98/16/14/721981614.db2.gz FYGVUPBSZHOSQL-UHFFFAOYSA-N 1 2 376.464 1.628 20 30 GDEDLO Cc1nc(C#N)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164946449 721981615 /nfs/dbraw/zinc/98/16/15/721981615.db2.gz FYGVUPBSZHOSQL-UHFFFAOYSA-N 1 2 376.464 1.628 20 30 GDEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573295364 947016348 /nfs/dbraw/zinc/01/63/48/947016348.db2.gz PMZGDIITHONRHR-LLVKDONJSA-N 1 2 385.806 1.634 20 30 GDEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573295364 947016359 /nfs/dbraw/zinc/01/63/59/947016359.db2.gz PMZGDIITHONRHR-LLVKDONJSA-N 1 2 385.806 1.634 20 30 GDEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000184639883 530830190 /nfs/dbraw/zinc/83/01/90/530830190.db2.gz AGYIBMOBEVEILW-OAHLLOKOSA-N 1 2 383.901 1.945 20 30 GDEDLO N#Cc1ccc([C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)C(N)=O)cc1 ZINC000155085583 531195135 /nfs/dbraw/zinc/19/51/35/531195135.db2.gz DKCKRFIEERWCBE-AWEZNQCLSA-N 1 2 398.897 1.368 20 30 GDEDLO C#CCC[NH+]1CCN(c2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000292715955 531373240 /nfs/dbraw/zinc/37/32/40/531373240.db2.gz HRFGNIAWTMKCLY-UHFFFAOYSA-N 1 2 388.269 1.535 20 30 GDEDLO COc1cc(C#N)cc(Br)c1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000414121985 531430884 /nfs/dbraw/zinc/43/08/84/531430884.db2.gz FQRBVHWRIOEIFW-CYBMUJFWSA-N 1 2 384.274 1.316 20 30 GDEDLO C[C@@H](NC(=O)COc1cccc(Br)c1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000449846499 531479777 /nfs/dbraw/zinc/47/97/77/531479777.db2.gz YTEPEYUMHGQQDB-OLZOCXBDSA-N 1 2 396.285 1.925 20 30 GDEDLO N#Cc1cc(Br)cnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000296511057 531698421 /nfs/dbraw/zinc/69/84/21/531698421.db2.gz MCABPFIGLQFUAJ-UHFFFAOYSA-N 1 2 378.274 1.460 20 30 GDEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592525232 531792884 /nfs/dbraw/zinc/79/28/84/531792884.db2.gz MUXWZENNJOCVQJ-SJCJKPOMSA-N 1 2 396.285 1.813 20 30 GDEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592525232 531792890 /nfs/dbraw/zinc/79/28/90/531792890.db2.gz MUXWZENNJOCVQJ-SJCJKPOMSA-N 1 2 396.285 1.813 20 30 GDEDLO N#Cc1c(Br)cccc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000283669429 531883803 /nfs/dbraw/zinc/88/38/03/531883803.db2.gz ZWBSPCLDBUPNNH-UHFFFAOYSA-N 1 2 388.287 1.321 20 30 GDEDLO Cc1c(Br)cncc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000597020057 531936589 /nfs/dbraw/zinc/93/65/89/531936589.db2.gz DNIKCPYKAUIKSX-UHFFFAOYSA-N 1 2 381.274 1.841 20 30 GDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419671002 531950629 /nfs/dbraw/zinc/95/06/29/531950629.db2.gz YAEIQFZWJDJYHZ-LLVKDONJSA-N 1 2 395.257 1.096 20 30 GDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419671002 531950631 /nfs/dbraw/zinc/95/06/31/531950631.db2.gz YAEIQFZWJDJYHZ-LLVKDONJSA-N 1 2 395.257 1.096 20 30 GDEDLO Cc1c(NC(=O)C(=O)NCCCn2cc[nH+]c2)ccc(Br)c1C#N ZINC000425720604 532147465 /nfs/dbraw/zinc/14/74/65/532147465.db2.gz DOHPPDPCULGUAX-UHFFFAOYSA-N 1 2 390.241 1.971 20 30 GDEDLO N#C[C@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000333214325 532225716 /nfs/dbraw/zinc/22/57/16/532225716.db2.gz UPIBFYXFMADTJF-NSHDSACASA-N 1 2 396.245 1.437 20 30 GDEDLO CCn1cc(C#N)c(=O)n(Cc2[nH+]c3ccc(Br)cc3n2C)c1=O ZINC000275209628 532277462 /nfs/dbraw/zinc/27/74/62/532277462.db2.gz ZQEJRCOUUVUHEM-UHFFFAOYSA-N 1 2 388.225 1.599 20 30 GDEDLO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)nc3)CC2)cc1 ZINC000737711822 599020291 /nfs/dbraw/zinc/02/02/91/599020291.db2.gz LNIVAECANSBDCO-UHFFFAOYSA-N 1 2 388.435 1.481 20 30 GDEDLO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)nc3)CC2)cc1 ZINC000737711822 599020295 /nfs/dbraw/zinc/02/02/95/599020295.db2.gz LNIVAECANSBDCO-UHFFFAOYSA-N 1 2 388.435 1.481 20 30 GDEDLO C[C@H]1C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CCN1Cc1ccnc(C#N)c1 ZINC000824991467 607520991 /nfs/dbraw/zinc/52/09/91/607520991.db2.gz BJYUUGNYTJCTTD-AWEZNQCLSA-N 1 2 375.440 1.235 20 30 GDEDLO C[C@H]1C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)CCN1Cc1ccnc(C#N)c1 ZINC000824991467 607520993 /nfs/dbraw/zinc/52/09/93/607520993.db2.gz BJYUUGNYTJCTTD-AWEZNQCLSA-N 1 2 375.440 1.235 20 30 GDEDLO C#CC[N@@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000819698081 606074954 /nfs/dbraw/zinc/07/49/54/606074954.db2.gz RTTWYYNMHZNCLB-UHFFFAOYSA-N 1 2 381.440 1.820 20 30 GDEDLO C#CC[N@H+](CC)CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1Cc1ccco1 ZINC000819698081 606074959 /nfs/dbraw/zinc/07/49/59/606074959.db2.gz RTTWYYNMHZNCLB-UHFFFAOYSA-N 1 2 381.440 1.820 20 30 GDEDLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000826169843 608369668 /nfs/dbraw/zinc/36/96/68/608369668.db2.gz HGASBVKCSUSCNT-ZDUSSCGKSA-N 1 2 391.439 1.248 20 30 GDEDLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000826169843 608369670 /nfs/dbraw/zinc/36/96/70/608369670.db2.gz HGASBVKCSUSCNT-ZDUSSCGKSA-N 1 2 391.439 1.248 20 30 GDEDLO CC1(C#N)CC[NH+](CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 ZINC000824778496 609540403 /nfs/dbraw/zinc/54/04/03/609540403.db2.gz QEFSVVQYWIABOU-UHFFFAOYSA-N 1 2 394.439 1.214 20 30 GDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C1 ZINC000330685248 645399754 /nfs/dbraw/zinc/39/97/54/645399754.db2.gz LAUYMBZWCQMGQB-NSHDSACASA-N 1 2 377.413 1.684 20 30 GDEDLO C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C1 ZINC000330685248 645399763 /nfs/dbraw/zinc/39/97/63/645399763.db2.gz LAUYMBZWCQMGQB-NSHDSACASA-N 1 2 377.413 1.684 20 30 GDEDLO N#Cc1cc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000907135817 659677236 /nfs/dbraw/zinc/67/72/36/659677236.db2.gz GLQWMFPXMYPIIQ-LLVKDONJSA-N 1 2 381.255 1.811 20 30 GDEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)[C@@H](C)C1 ZINC000907135833 659677356 /nfs/dbraw/zinc/67/73/56/659677356.db2.gz GXIBXEIVMPFJAA-STQMWFEESA-N 1 2 379.507 1.849 20 30 GDEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)[C@@H](C)C1 ZINC000907135833 659677358 /nfs/dbraw/zinc/67/73/58/659677358.db2.gz GXIBXEIVMPFJAA-STQMWFEESA-N 1 2 379.507 1.849 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1Br ZINC000601967336 652612010 /nfs/dbraw/zinc/61/20/10/652612010.db2.gz HMGGWMDTRYARQK-NSHDSACASA-N 1 2 381.255 1.811 20 30 GDEDLO C=C(Br)COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000786995050 654956750 /nfs/dbraw/zinc/95/67/50/654956750.db2.gz HEOAUZARVLUDHE-CYBMUJFWSA-N 1 2 375.263 1.152 20 30 GDEDLO N#Cc1c(N2CCC[N@H+](Cc3cscn3)CC2)cccc1S(N)(=O)=O ZINC000754993848 654984358 /nfs/dbraw/zinc/98/43/58/654984358.db2.gz RUJSFSKZSMNNQN-UHFFFAOYSA-N 1 2 377.495 1.374 20 30 GDEDLO N#Cc1c(N2CCC[N@@H+](Cc3cscn3)CC2)cccc1S(N)(=O)=O ZINC000754993848 654984359 /nfs/dbraw/zinc/98/43/59/654984359.db2.gz RUJSFSKZSMNNQN-UHFFFAOYSA-N 1 2 377.495 1.374 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(C)cccc2Br)CC1 ZINC000813442870 655236832 /nfs/dbraw/zinc/23/68/32/655236832.db2.gz UMHDUFDKOBKFMZ-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(C)cccc2Br)CC1 ZINC000813442870 655236835 /nfs/dbraw/zinc/23/68/35/655236835.db2.gz UMHDUFDKOBKFMZ-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO CS(C)(=O)=NS(=O)(=O)CC[NH2+]Cc1cc(C#N)ccc1Br ZINC000922490158 656482553 /nfs/dbraw/zinc/48/25/53/656482553.db2.gz PKXCYJIEDBZJIG-UHFFFAOYSA-N 1 2 394.316 1.468 20 30 GDEDLO N#Cc1cc(Br)ccc1C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000932831424 657226520 /nfs/dbraw/zinc/22/65/20/657226520.db2.gz QIHORGCZOFJMEU-OAHLLOKOSA-N 1 2 378.270 1.784 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000884107815 657326096 /nfs/dbraw/zinc/32/60/96/657326096.db2.gz GKVUYQGUTSELSM-LBPRGKRZSA-N 1 2 399.241 1.283 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000891605407 658254839 /nfs/dbraw/zinc/25/48/39/658254839.db2.gz FFIDRHMJPLXENK-GFCCVEGCSA-N 1 2 382.233 1.741 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000891605407 658254845 /nfs/dbraw/zinc/25/48/45/658254845.db2.gz FFIDRHMJPLXENK-GFCCVEGCSA-N 1 2 382.233 1.741 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000891606289 658255054 /nfs/dbraw/zinc/25/50/54/658255054.db2.gz FCYMVCHYUCIHIX-AWEZNQCLSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000891606289 658255057 /nfs/dbraw/zinc/25/50/57/658255057.db2.gz FCYMVCHYUCIHIX-AWEZNQCLSA-N 1 2 378.270 1.910 20 30 GDEDLO C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896532665 658785384 /nfs/dbraw/zinc/78/53/84/658785384.db2.gz CQBFNPXXMYZXFL-MLGOLLRUSA-N 1 2 395.301 1.450 20 30 GDEDLO C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896532665 658785393 /nfs/dbraw/zinc/78/53/93/658785393.db2.gz CQBFNPXXMYZXFL-MLGOLLRUSA-N 1 2 395.301 1.450 20 30 GDEDLO C[N@H+](CCC#N)C[C@H](O)CNc1cc(Br)cc2c1NC(=O)CO2 ZINC000905453449 659454796 /nfs/dbraw/zinc/45/47/96/659454796.db2.gz VNXCNICLLLEQNG-LLVKDONJSA-N 1 2 383.246 1.398 20 30 GDEDLO C[N@@H+](CCC#N)C[C@H](O)CNc1cc(Br)cc2c1NC(=O)CO2 ZINC000905453449 659454799 /nfs/dbraw/zinc/45/47/99/659454799.db2.gz VNXCNICLLLEQNG-LLVKDONJSA-N 1 2 383.246 1.398 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc(Cl)c1C#N ZINC001164703921 719845694 /nfs/dbraw/zinc/84/56/94/719845694.db2.gz REYKLFYYYQJSOX-SJKOYZFVSA-N 1 2 379.848 1.234 20 30 GDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(Cl)cc1C#N)CC2 ZINC001164708113 719917226 /nfs/dbraw/zinc/91/72/26/719917226.db2.gz CRLOHHLDOMBICI-UHFFFAOYSA-N 1 2 399.886 1.290 20 30 GDEDLO Cc1ncc(C#N)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164911084 721778040 /nfs/dbraw/zinc/77/80/40/721778040.db2.gz DWOCGDOEMXAYFQ-HXUWFJFHSA-N 1 2 380.452 1.160 20 30 GDEDLO Cc1ncc(C#N)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164911084 721778041 /nfs/dbraw/zinc/77/80/41/721778041.db2.gz DWOCGDOEMXAYFQ-HXUWFJFHSA-N 1 2 380.452 1.160 20 30 GDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573564863 946999625 /nfs/dbraw/zinc/99/96/25/946999625.db2.gz MJPWZBWSTLUVHR-AEGPPILISA-N 1 2 383.431 1.731 20 30 GDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573564863 946999631 /nfs/dbraw/zinc/99/96/31/946999631.db2.gz MJPWZBWSTLUVHR-AEGPPILISA-N 1 2 383.431 1.731 20 30 GDEDLO N#Cc1ccccc1C[N@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571121184 952515989 /nfs/dbraw/zinc/51/59/89/952515989.db2.gz XDYZXTPTOMPJNU-UHFFFAOYSA-N 1 2 376.424 1.415 20 30 GDEDLO N#Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571121184 952515993 /nfs/dbraw/zinc/51/59/93/952515993.db2.gz XDYZXTPTOMPJNU-UHFFFAOYSA-N 1 2 376.424 1.415 20 30 GDEDLO Cc1[nH]c(=O)c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1Br ZINC000164206100 530578382 /nfs/dbraw/zinc/57/83/82/530578382.db2.gz XSNVZFMIIJGXSC-UHFFFAOYSA-N 1 2 397.273 1.546 20 30 GDEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1)C1CC1 ZINC000048059809 530665468 /nfs/dbraw/zinc/66/54/68/530665468.db2.gz GYBQTHLCCQEGFH-KRWDZBQOSA-N 1 2 392.301 1.775 20 30 GDEDLO N#Cc1ccc(CN2CC[NH+](CC(=O)NC3CC3)CC2)c(Br)c1 ZINC000180900459 530774359 /nfs/dbraw/zinc/77/43/59/530774359.db2.gz QBLJGYXZQOFBBM-UHFFFAOYSA-N 1 2 377.286 1.717 20 30 GDEDLO Cc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)cc[nH+]1 ZINC000184957699 530834433 /nfs/dbraw/zinc/83/44/33/530834433.db2.gz VALWBMCBPLIYBE-UHFFFAOYSA-N 1 2 377.857 1.821 20 30 GDEDLO Cc1nc(N2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)cc[nH+]1 ZINC000184957955 530834529 /nfs/dbraw/zinc/83/45/29/530834529.db2.gz KMUGFERTEJJSAX-UHFFFAOYSA-N 1 2 377.857 1.821 20 30 GDEDLO CCN(CCC#N)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000194129155 531000200 /nfs/dbraw/zinc/00/02/00/531000200.db2.gz ALHKRAYOCQGLPV-UHFFFAOYSA-N 1 2 384.527 1.253 20 30 GDEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000294251311 531469620 /nfs/dbraw/zinc/46/96/20/531469620.db2.gz ZAUVFWOZCGTNBM-UHFFFAOYSA-N 1 2 395.257 1.050 20 30 GDEDLO N#Cc1ccc(NC(=O)N(CCO)CC[NH+]2CCOCC2)cc1Br ZINC000487936235 531479048 /nfs/dbraw/zinc/47/90/48/531479048.db2.gz QOWGKPSKGZNBJJ-UHFFFAOYSA-N 1 2 397.273 1.479 20 30 GDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(C#N)c1Br ZINC000450135494 531486316 /nfs/dbraw/zinc/48/63/16/531486316.db2.gz XSRBPKJNDKUSRG-ZDUSSCGKSA-N 1 2 382.258 1.086 20 30 GDEDLO N#CCC(=O)N1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000581556721 531499303 /nfs/dbraw/zinc/49/93/03/531499303.db2.gz PGHVGCUKOSKXEL-UHFFFAOYSA-N 1 2 390.241 1.015 20 30 GDEDLO Cc1nc(CC(N)=[NH+]OCc2c(C)nn(CCS(C)(=O)=O)c2C)cs1 ZINC000280696645 531526451 /nfs/dbraw/zinc/52/64/51/531526451.db2.gz GGQQMKRNARQAEH-UHFFFAOYSA-N 1 2 385.515 1.341 20 30 GDEDLO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000280710590 531528594 /nfs/dbraw/zinc/52/85/94/531528594.db2.gz BEUMBUIIBGTLBQ-UHFFFAOYSA-N 1 2 387.303 1.339 20 30 GDEDLO C[C@@H]1C[NH+]=C(N2CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)CC2)S1 ZINC000295370022 531567682 /nfs/dbraw/zinc/56/76/82/531567682.db2.gz ZUYMMDMSOYIXQS-GFCCVEGCSA-N 1 2 382.486 1.636 20 30 GDEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000451274406 531579631 /nfs/dbraw/zinc/57/96/31/531579631.db2.gz XHDAOTKFSHVZKO-UKRRQHHQSA-N 1 2 385.917 1.872 20 30 GDEDLO CC[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000451274406 531579637 /nfs/dbraw/zinc/57/96/37/531579637.db2.gz XHDAOTKFSHVZKO-UKRRQHHQSA-N 1 2 385.917 1.872 20 30 GDEDLO Cc1nc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)sc1S(N)(=O)=O ZINC000558755776 531580841 /nfs/dbraw/zinc/58/08/41/531580841.db2.gz SDJPKKXQHIHBLZ-UHFFFAOYSA-N 1 2 377.495 1.293 20 30 GDEDLO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(C)C ZINC000451430221 531616039 /nfs/dbraw/zinc/61/60/39/531616039.db2.gz NFDXDDWUTOEGML-DLBZAZTESA-N 1 2 392.587 1.429 20 30 GDEDLO C[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000588120515 531648940 /nfs/dbraw/zinc/64/89/40/531648940.db2.gz OIMDBJSIOOTUSQ-GWCFXTLKSA-N 1 2 388.287 1.318 20 30 GDEDLO C=CCN1CC[C@@H]([NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)C1=O ZINC000282035596 531695118 /nfs/dbraw/zinc/69/51/18/531695118.db2.gz QNGSOFFKZXSVFQ-MRXNPFEDSA-N 1 2 392.297 1.994 20 30 GDEDLO N#Cc1nc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)sc1Cl ZINC000590576239 531691837 /nfs/dbraw/zinc/69/18/37/531691837.db2.gz FBCYFCQNYVZHSS-UHFFFAOYSA-N 1 2 376.873 2.377 20 30 GDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2ccc(Br)cc2)nn1 ZINC000641192809 531784447 /nfs/dbraw/zinc/78/44/47/531784447.db2.gz BXXWKJPCNKJLQT-OAHLLOKOSA-N 1 2 379.258 1.593 20 30 GDEDLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000282924321 531811267 /nfs/dbraw/zinc/81/12/67/531811267.db2.gz SVMQFOPIZRWZBA-UHFFFAOYSA-N 1 2 377.388 1.530 20 30 GDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000574858990 531999205 /nfs/dbraw/zinc/99/92/05/531999205.db2.gz FELHJGASZHKIDP-PXAZEXFGSA-N 1 2 393.285 1.762 20 30 GDEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000301285431 532031012 /nfs/dbraw/zinc/03/10/12/532031012.db2.gz LPXPMMTXGBJQKA-UHFFFAOYSA-N 1 2 376.404 1.893 20 30 GDEDLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000577683834 532038219 /nfs/dbraw/zinc/03/82/19/532038219.db2.gz FEAMVNDJRZVDPI-SNVBAGLBSA-N 1 2 379.467 1.040 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000735420693 598271737 /nfs/dbraw/zinc/27/17/37/598271737.db2.gz QEYSSWXBLZJNEL-HOTGVXAUSA-N 1 2 399.499 1.674 20 30 GDEDLO C=C1CC[NH+](CC(=O)Nc2c(-c3nn[nH]n3)c(C)c(C)n2CCCOC)CC1 ZINC000735402730 598504522 /nfs/dbraw/zinc/50/45/22/598504522.db2.gz IHYKZGGHILYYLI-UHFFFAOYSA-N 1 2 387.488 1.912 20 30 GDEDLO C=CCOc1cccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000823932154 608832646 /nfs/dbraw/zinc/83/26/46/608832646.db2.gz QLCBFSKHVRIPMN-OAHLLOKOSA-N 1 2 392.467 1.932 20 30 GDEDLO C=CCOc1cccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC000823932154 608832647 /nfs/dbraw/zinc/83/26/47/608832647.db2.gz QLCBFSKHVRIPMN-OAHLLOKOSA-N 1 2 392.467 1.932 20 30 GDEDLO C=C(Br)CNC(=O)NCC1([NH+]2CCOCC2)CC(OCC)C1 ZINC000192469231 645040763 /nfs/dbraw/zinc/04/07/63/645040763.db2.gz BITCBQJBVTUIBM-UHFFFAOYSA-N 1 2 376.295 1.464 20 30 GDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593509773 652215034 /nfs/dbraw/zinc/21/50/34/652215034.db2.gz PPRVXFFDFYTTLE-MRXNPFEDSA-N 1 2 396.285 1.015 20 30 GDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CCC1 ZINC000602885594 652652523 /nfs/dbraw/zinc/65/25/23/652652523.db2.gz GOIHVMZLPBTGKB-CYBMUJFWSA-N 1 2 379.258 1.860 20 30 GDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CCC1 ZINC000602885594 652652527 /nfs/dbraw/zinc/65/25/27/652652527.db2.gz GOIHVMZLPBTGKB-CYBMUJFWSA-N 1 2 379.258 1.860 20 30 GDEDLO N#Cc1ccc(N2CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000603326555 652699665 /nfs/dbraw/zinc/69/96/65/652699665.db2.gz NPWURLDKANHELI-UHFFFAOYSA-N 1 2 379.873 1.560 20 30 GDEDLO Cc1c(Br)c(C)n(NC(=O)CCc2c[nH+]cn2C)c(=O)c1C#N ZINC000816410094 655325537 /nfs/dbraw/zinc/32/55/37/655325537.db2.gz NAUDRFIFOCIZPD-UHFFFAOYSA-N 1 2 378.230 1.536 20 30 GDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000817028638 655340886 /nfs/dbraw/zinc/34/08/86/655340886.db2.gz MMGLNEGTUDHUBV-CABCVRRESA-N 1 2 376.254 1.378 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O ZINC000817028638 655340887 /nfs/dbraw/zinc/34/08/87/655340887.db2.gz MMGLNEGTUDHUBV-CABCVRRESA-N 1 2 376.254 1.378 20 30 GDEDLO COc1cc(I)ccc1NC[C@@H](O)C[N@H+](C)CCC#N ZINC000819486958 655391650 /nfs/dbraw/zinc/39/16/50/655391650.db2.gz BAXGVABWRIQFJL-GFCCVEGCSA-N 1 2 389.237 1.918 20 30 GDEDLO COc1cc(I)ccc1NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000819486958 655391651 /nfs/dbraw/zinc/39/16/51/655391651.db2.gz BAXGVABWRIQFJL-GFCCVEGCSA-N 1 2 389.237 1.918 20 30 GDEDLO CS(=O)(=O)CCNC(=S)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000844596834 655411734 /nfs/dbraw/zinc/41/17/34/655411734.db2.gz ORNDDDWNDSPPSD-UHFFFAOYSA-N 1 2 380.539 1.031 20 30 GDEDLO Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Br)n1 ZINC000858160764 655745047 /nfs/dbraw/zinc/74/50/47/655745047.db2.gz PGBVLNUTABTQCY-OAHLLOKOSA-N 1 2 388.269 1.945 20 30 GDEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(Br)cc2C#N)C1 ZINC000866958242 655981675 /nfs/dbraw/zinc/98/16/75/655981675.db2.gz VMWGTEWWJTXENV-GFCCVEGCSA-N 1 2 375.244 1.360 20 30 GDEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(Br)cc2C#N)C1 ZINC000866958242 655981676 /nfs/dbraw/zinc/98/16/76/655981676.db2.gz VMWGTEWWJTXENV-GFCCVEGCSA-N 1 2 375.244 1.360 20 30 GDEDLO N#Cc1cc(Br)ccc1Cn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000883991959 657319673 /nfs/dbraw/zinc/31/96/73/657319673.db2.gz WUGJGVZXPJCVPG-UHFFFAOYSA-N 1 2 376.258 1.917 20 30 GDEDLO N#CC1(NC(=O)C[NH2+][C@H](CO)c2ccccc2I)CCC1 ZINC000934826314 657379710 /nfs/dbraw/zinc/37/97/10/657379710.db2.gz CXJXKPOCVLLVCQ-CYBMUJFWSA-N 1 2 399.232 1.477 20 30 GDEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001046958060 657763042 /nfs/dbraw/zinc/76/30/42/657763042.db2.gz BCSLOJQRDGTPLA-LJISPDSOSA-N 1 2 378.847 1.864 20 30 GDEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001046958060 657763045 /nfs/dbraw/zinc/76/30/45/657763045.db2.gz BCSLOJQRDGTPLA-LJISPDSOSA-N 1 2 378.847 1.864 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000891608571 658255523 /nfs/dbraw/zinc/25/55/23/658255523.db2.gz ZSSWGFMEYYJXQA-GFCCVEGCSA-N 1 2 382.233 1.741 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000891608571 658255533 /nfs/dbraw/zinc/25/55/33/658255533.db2.gz ZSSWGFMEYYJXQA-GFCCVEGCSA-N 1 2 382.233 1.741 20 30 GDEDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(CC#N)cc3Cl)CC2)C1=O ZINC001164644694 719283397 /nfs/dbraw/zinc/28/33/97/719283397.db2.gz QQBWASSXUBQMMQ-UHFFFAOYSA-N 1 2 391.903 1.560 20 30 GDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(CC#N)cc3Cl)CC2)C1=O ZINC001164644694 719283402 /nfs/dbraw/zinc/28/34/02/719283402.db2.gz QQBWASSXUBQMMQ-UHFFFAOYSA-N 1 2 391.903 1.560 20 30 GDEDLO Cc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(C#N)c1 ZINC001164825371 720435153 /nfs/dbraw/zinc/43/51/53/720435153.db2.gz RTFVAYLPJOAOSQ-GOSISDBHSA-N 1 2 396.495 1.448 20 30 GDEDLO C=CCCCC(=O)N(C)CCN1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573334280 947450975 /nfs/dbraw/zinc/45/09/75/947450975.db2.gz LNSATQBKWNHCKP-UHFFFAOYSA-N 1 2 384.488 1.198 20 30 GDEDLO CC(C)NC(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191774073 530954438 /nfs/dbraw/zinc/95/44/38/530954438.db2.gz OSVFYAUHZOYQPB-UHFFFAOYSA-N 1 2 379.302 1.963 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C)cc2Br)CC1 ZINC000122311151 530969175 /nfs/dbraw/zinc/96/91/75/530969175.db2.gz XWUFWIHXCYRRQI-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C)cc2Br)CC1 ZINC000122311151 530969176 /nfs/dbraw/zinc/96/91/76/530969176.db2.gz XWUFWIHXCYRRQI-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000128239409 531038861 /nfs/dbraw/zinc/03/88/61/531038861.db2.gz PRBMRLBCBRCPTL-GWCFXTLKSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@@H]1C[N@@H+](C)CCO1 ZINC000128239409 531038865 /nfs/dbraw/zinc/03/88/65/531038865.db2.gz PRBMRLBCBRCPTL-GWCFXTLKSA-N 1 2 377.388 1.574 20 30 GDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000264167905 531170868 /nfs/dbraw/zinc/17/08/68/531170868.db2.gz HJJZIMNYZFVWRL-UHFFFAOYSA-N 1 2 387.864 1.767 20 30 GDEDLO CS(=O)(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000158051231 531207616 /nfs/dbraw/zinc/20/76/16/531207616.db2.gz CRHCOTIXVQTJPT-AWEZNQCLSA-N 1 2 376.400 1.950 20 30 GDEDLO CS(=O)(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000158051231 531207617 /nfs/dbraw/zinc/20/76/17/531207617.db2.gz CRHCOTIXVQTJPT-AWEZNQCLSA-N 1 2 376.400 1.950 20 30 GDEDLO Cc1cc(Br)cn2cc(CCNC(=O)c3cnn(C)c3C#N)[nH+]c12 ZINC000476677236 531315995 /nfs/dbraw/zinc/31/59/95/531315995.db2.gz VAXKGPFWJZBKGR-UHFFFAOYSA-N 1 2 387.241 1.983 20 30 GDEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000267020013 531388072 /nfs/dbraw/zinc/38/80/72/531388072.db2.gz JOLSMXKCDJCPFN-LBPRGKRZSA-N 1 2 385.873 1.470 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)cc1Br ZINC000278836829 531394760 /nfs/dbraw/zinc/39/47/60/531394760.db2.gz PHJLSPSTHRKKJT-UHFFFAOYSA-N 1 2 388.287 1.321 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCOCC2)cc1Br ZINC000278836829 531394766 /nfs/dbraw/zinc/39/47/66/531394766.db2.gz PHJLSPSTHRKKJT-UHFFFAOYSA-N 1 2 388.287 1.321 20 30 GDEDLO CCN(C(=O)[C@@H](C)O[NH+]=C(N)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000267341754 531420812 /nfs/dbraw/zinc/42/08/12/531420812.db2.gz NYILWPGKRZAPKI-RISCZKNCSA-N 1 2 387.889 1.401 20 30 GDEDLO CC1(C)C[N@H+](CCNC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000449828263 531478865 /nfs/dbraw/zinc/47/88/65/531478865.db2.gz JYZXKUMDZBEAJA-UHFFFAOYSA-N 1 2 396.285 1.927 20 30 GDEDLO CC1(C)C[N@@H+](CCNC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000449828263 531478868 /nfs/dbraw/zinc/47/88/68/531478868.db2.gz JYZXKUMDZBEAJA-UHFFFAOYSA-N 1 2 396.285 1.927 20 30 GDEDLO CC(=O)N1CC[NH+](CCNC(=O)c2ccc(Br)cc2C#N)CC1 ZINC000294652045 531489394 /nfs/dbraw/zinc/48/93/94/531489394.db2.gz YMXKBRNWELXZLR-UHFFFAOYSA-N 1 2 379.258 1.215 20 30 GDEDLO Cn1ccnc(N2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)c1=O ZINC000492481086 531565920 /nfs/dbraw/zinc/56/59/20/531565920.db2.gz CDFDNANUCJUQGT-UHFFFAOYSA-N 1 2 388.269 1.737 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000619712236 531716236 /nfs/dbraw/zinc/71/62/36/531716236.db2.gz KUDZDJXQAHRSBQ-IINYFYTJSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000619712236 531716243 /nfs/dbraw/zinc/71/62/43/531716243.db2.gz KUDZDJXQAHRSBQ-IINYFYTJSA-N 1 2 377.388 1.574 20 30 GDEDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1cccc(C#N)c1Br)CC2 ZINC000591412754 531722282 /nfs/dbraw/zinc/72/22/82/531722282.db2.gz MJIYKUVPFIVPAN-UHFFFAOYSA-N 1 2 388.225 1.807 20 30 GDEDLO CC#CC[NH2+]Cc1cn(CC(=O)Nc2ccc(Br)cc2F)nn1 ZINC000640759306 531760524 /nfs/dbraw/zinc/76/05/24/531760524.db2.gz OTEAVMNEJUCUAD-UHFFFAOYSA-N 1 2 380.221 1.931 20 30 GDEDLO Cn1c[nH+]c(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c1 ZINC000592804379 531802995 /nfs/dbraw/zinc/80/29/95/531802995.db2.gz BWHOZKOYWHYQGZ-UHFFFAOYSA-N 1 2 388.269 1.849 20 30 GDEDLO C[C@H]1C[N@H+](CCNC(=O)COc2cccc(Br)c2C#N)[C@@H](C)CO1 ZINC000597994268 531963121 /nfs/dbraw/zinc/96/31/21/531963121.db2.gz JDGPLJLCKXUWAE-STQMWFEESA-N 1 2 396.285 1.925 20 30 GDEDLO C[C@H]1C[N@@H+](CCNC(=O)COc2cccc(Br)c2C#N)[C@@H](C)CO1 ZINC000597994268 531963126 /nfs/dbraw/zinc/96/31/26/531963126.db2.gz JDGPLJLCKXUWAE-STQMWFEESA-N 1 2 396.285 1.925 20 30 GDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000599691309 532036187 /nfs/dbraw/zinc/03/61/87/532036187.db2.gz DOGZORIYNVPONC-GFCCVEGCSA-N 1 2 384.889 1.411 20 30 GDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000599691309 532036190 /nfs/dbraw/zinc/03/61/90/532036190.db2.gz DOGZORIYNVPONC-GFCCVEGCSA-N 1 2 384.889 1.411 20 30 GDEDLO CS(=O)(=O)c1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1C(F)F ZINC000330698943 532130713 /nfs/dbraw/zinc/13/07/13/532130713.db2.gz XBGQEFQCMBEVQK-UHFFFAOYSA-N 1 2 377.413 1.183 20 30 GDEDLO Cn1cc[nH+]c1[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCN1C ZINC000332242729 532174253 /nfs/dbraw/zinc/17/42/53/532174253.db2.gz ARNLGNRHPNHJDN-HNNXBMFYSA-N 1 2 379.873 1.623 20 30 GDEDLO N#CCC[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)CCN1CCOCC1 ZINC000822811310 606191240 /nfs/dbraw/zinc/19/12/40/606191240.db2.gz VNAKERLNXWDXJP-UHFFFAOYSA-N 1 2 385.472 1.183 20 30 GDEDLO N#CCC[N@@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)CCN1CCOCC1 ZINC000822811310 606191241 /nfs/dbraw/zinc/19/12/41/606191241.db2.gz VNAKERLNXWDXJP-UHFFFAOYSA-N 1 2 385.472 1.183 20 30 GDEDLO N#CCCN(CCCOc1ccc(-c2nn[nH]n2)cc1)CC[NH+]1CCOCC1 ZINC000822811310 606191242 /nfs/dbraw/zinc/19/12/42/606191242.db2.gz VNAKERLNXWDXJP-UHFFFAOYSA-N 1 2 385.472 1.183 20 30 GDEDLO N#Cc1ccc(N2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)nc1 ZINC000826385503 608517759 /nfs/dbraw/zinc/51/77/59/608517759.db2.gz PHUXRKHZMWNQCU-UHFFFAOYSA-N 1 2 386.423 1.103 20 30 GDEDLO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000555104066 650685763 /nfs/dbraw/zinc/68/57/63/650685763.db2.gz SYFKKDCNVUTAEX-UHFFFAOYSA-N 1 2 376.404 1.595 20 30 GDEDLO C=CCOCCC[NH+]1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000470725300 647730741 /nfs/dbraw/zinc/73/07/41/647730741.db2.gz FXVVUIWBCDWECF-UHFFFAOYSA-N 1 2 382.511 1.590 20 30 GDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000516881964 648541294 /nfs/dbraw/zinc/54/12/94/648541294.db2.gz RWZXSLYGTDOJNP-ZDUSSCGKSA-N 1 2 395.301 1.971 20 30 GDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 ZINC000749365686 654830512 /nfs/dbraw/zinc/83/05/12/654830512.db2.gz QAZAOKZKTZICDW-UHFFFAOYSA-N 1 2 389.257 1.206 20 30 GDEDLO NC(=[NH+]OCc1nnnn1CC(F)(F)F)c1ccc(Br)cc1 ZINC000762216561 655160686 /nfs/dbraw/zinc/16/06/86/655160686.db2.gz NEJASQWWRUTNEM-UHFFFAOYSA-N 1 2 379.140 1.835 20 30 GDEDLO CC(=NNC1=[NH+]C[C@@H](C)N1)c1nnn(-c2cccc(Br)c2)c1C ZINC000814896994 655275849 /nfs/dbraw/zinc/27/58/49/655275849.db2.gz CMOICQJJSWIEPS-SECBINFHSA-N 1 2 376.262 2.000 20 30 GDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000844311865 655409310 /nfs/dbraw/zinc/40/93/10/655409310.db2.gz ACCRLAZZPOFMDD-UHFFFAOYSA-N 1 2 377.388 1.170 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000859224581 655770278 /nfs/dbraw/zinc/77/02/78/655770278.db2.gz DTFACQBWWSTWND-UHFFFAOYSA-N 1 2 382.291 1.820 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000859224581 655770280 /nfs/dbraw/zinc/77/02/80/655770280.db2.gz DTFACQBWWSTWND-UHFFFAOYSA-N 1 2 382.291 1.820 20 30 GDEDLO O=S(=O)(Nc1nncs1)c1ccc(N=NC2C[N@H+]3C[C@@H]2CCC3)cc1 ZINC000863101147 655861532 /nfs/dbraw/zinc/86/15/32/655861532.db2.gz KQHJUEAUQRRSGE-NSHDSACASA-N 1 2 378.483 1.832 20 30 GDEDLO CN1CC[NH+](CCCS(=O)(=O)Oc2c(Cl)cc(F)cc2C#N)CC1 ZINC000867510940 656073591 /nfs/dbraw/zinc/07/35/91/656073591.db2.gz TUPNUIYJVZTTHW-UHFFFAOYSA-N 1 2 375.853 1.697 20 30 GDEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2ncc(C#N)cc2Br)CC1 ZINC000881962156 657005546 /nfs/dbraw/zinc/00/55/46/657005546.db2.gz RUEDHVZZHCTTIS-UHFFFAOYSA-N 1 2 387.303 1.637 20 30 GDEDLO C=CCN1CC[C@H]([NH2+][C@H](CO)c2ccccc2I)C1=O ZINC000934828169 657381388 /nfs/dbraw/zinc/38/13/88/657381388.db2.gz MZYGVHXYOYIJMY-UONOGXRCSA-N 1 2 386.233 1.701 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000891605408 658255065 /nfs/dbraw/zinc/25/50/65/658255065.db2.gz FFIDRHMJPLXENK-LBPRGKRZSA-N 1 2 382.233 1.741 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(Br)ccc2F)C1 ZINC000891605408 658255067 /nfs/dbraw/zinc/25/50/67/658255067.db2.gz FFIDRHMJPLXENK-LBPRGKRZSA-N 1 2 382.233 1.741 20 30 GDEDLO Cn1nc(Br)nc1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000894554671 658579649 /nfs/dbraw/zinc/57/96/49/658579649.db2.gz AFWXFAMTRBLHOS-ZDUSSCGKSA-N 1 2 389.257 1.340 20 30 GDEDLO N#Cc1cc(OS(=O)(=O)CCC[NH+]2CCOCC2)ccc1Br ZINC000908271006 659891383 /nfs/dbraw/zinc/89/13/83/659891383.db2.gz GMTUODUJRHOLLC-UHFFFAOYSA-N 1 2 389.271 1.752 20 30 GDEDLO N#Cc1c(Br)cccc1OCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913453178 660080338 /nfs/dbraw/zinc/08/03/38/660080338.db2.gz JMCGPIGCISCVJV-CQSZACIVSA-N 1 2 390.241 1.596 20 30 GDEDLO N#Cc1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1F ZINC001164917057 721782625 /nfs/dbraw/zinc/78/26/25/721782625.db2.gz WGFASIJZTYMHQN-HXUWFJFHSA-N 1 2 383.427 1.595 20 30 GDEDLO N#Cc1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1F ZINC001164917057 721782628 /nfs/dbraw/zinc/78/26/28/721782628.db2.gz WGFASIJZTYMHQN-HXUWFJFHSA-N 1 2 383.427 1.595 20 30 GDEDLO Cc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C#N)n1 ZINC001164916042 721791870 /nfs/dbraw/zinc/79/18/70/721791870.db2.gz OGWJVRDXVTUDEC-FQEVSTJZSA-N 1 2 380.452 1.160 20 30 GDEDLO Cc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C#N)n1 ZINC001164916042 721791872 /nfs/dbraw/zinc/79/18/72/721791872.db2.gz OGWJVRDXVTUDEC-FQEVSTJZSA-N 1 2 380.452 1.160 20 30 GDEDLO Cc1cc(C#N)cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915723 721798438 /nfs/dbraw/zinc/79/84/38/721798438.db2.gz YVXZQJNXYSESHZ-OAQYLSRUSA-N 1 2 379.464 1.765 20 30 GDEDLO Cc1cc(C#N)cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915723 721798441 /nfs/dbraw/zinc/79/84/41/721798441.db2.gz YVXZQJNXYSESHZ-OAQYLSRUSA-N 1 2 379.464 1.765 20 30 GDEDLO Cc1ncc(C#N)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945867 721972542 /nfs/dbraw/zinc/97/25/42/721972542.db2.gz UFUAACCBUPUYTL-UHFFFAOYSA-N 1 2 376.464 1.628 20 30 GDEDLO Cc1ncc(C#N)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945867 721972545 /nfs/dbraw/zinc/97/25/45/721972545.db2.gz UFUAACCBUPUYTL-UHFFFAOYSA-N 1 2 376.464 1.628 20 30 GDEDLO CNS(=O)(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000264621833 531193660 /nfs/dbraw/zinc/19/36/60/531193660.db2.gz LCUQSIWZCXVPKY-NSHDSACASA-N 1 2 384.889 1.552 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277737244 531307618 /nfs/dbraw/zinc/30/76/18/531307618.db2.gz KNLAVOSCTIJNDL-UKRRQHHQSA-N 1 2 376.400 1.967 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277737244 531307624 /nfs/dbraw/zinc/30/76/24/531307624.db2.gz KNLAVOSCTIJNDL-UKRRQHHQSA-N 1 2 376.400 1.967 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000480681755 531376068 /nfs/dbraw/zinc/37/60/68/531376068.db2.gz HOTCUCPLYQNEMW-UHFFFAOYSA-N 1 2 377.286 1.741 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444733264 531403373 /nfs/dbraw/zinc/40/33/73/531403373.db2.gz MKGRKTJIFJTUHT-HIFRSBDPSA-N 1 2 376.400 1.967 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444733264 531403374 /nfs/dbraw/zinc/40/33/74/531403374.db2.gz MKGRKTJIFJTUHT-HIFRSBDPSA-N 1 2 376.400 1.967 20 30 GDEDLO C[N@H+](CCC#N)C[C@H](O)COc1cc(C#N)ccc1I ZINC000414123655 531430906 /nfs/dbraw/zinc/43/09/06/531430906.db2.gz JMTZKVIIYGQGCY-LBPRGKRZSA-N 1 2 385.205 1.748 20 30 GDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1cc(C#N)ccc1I ZINC000414123655 531430910 /nfs/dbraw/zinc/43/09/10/531430910.db2.gz JMTZKVIIYGQGCY-LBPRGKRZSA-N 1 2 385.205 1.748 20 30 GDEDLO C[N@H+](CCC#N)C[C@H](O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000414097919 531430965 /nfs/dbraw/zinc/43/09/65/531430965.db2.gz OEISSFVYEHOGNV-AWEZNQCLSA-N 1 2 384.527 1.165 20 30 GDEDLO C[N@@H+](CCC#N)C[C@H](O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000414097919 531430969 /nfs/dbraw/zinc/43/09/69/531430969.db2.gz OEISSFVYEHOGNV-AWEZNQCLSA-N 1 2 384.527 1.165 20 30 GDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000550781033 531527312 /nfs/dbraw/zinc/52/73/12/531527312.db2.gz QAYSDFBYKHDCJY-NSHDSACASA-N 1 2 395.257 1.096 20 30 GDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000550781033 531527320 /nfs/dbraw/zinc/52/73/20/531527320.db2.gz QAYSDFBYKHDCJY-NSHDSACASA-N 1 2 395.257 1.096 20 30 GDEDLO CS(=O)(=O)N1CC[NH+](CCNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000611370490 531533929 /nfs/dbraw/zinc/53/39/29/531533929.db2.gz RTIRDVNHRSBHBO-UHFFFAOYSA-N 1 2 376.404 1.566 20 30 GDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2ccc(Br)cc2)nn1 ZINC000641192807 531784311 /nfs/dbraw/zinc/78/43/11/531784311.db2.gz BXXWKJPCNKJLQT-HNNXBMFYSA-N 1 2 379.258 1.593 20 30 GDEDLO C[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)[NH+]1CCN(C)CC1 ZINC000593464117 531835996 /nfs/dbraw/zinc/83/59/96/531835996.db2.gz CPTRBURTHLCSRE-ZDUSSCGKSA-N 1 2 379.302 1.615 20 30 GDEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000271700801 532043117 /nfs/dbraw/zinc/04/31/17/532043117.db2.gz NLYXOXFQSHDWDY-GFCCVEGCSA-N 1 2 385.873 1.470 20 30 GDEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000271700801 532043124 /nfs/dbraw/zinc/04/31/24/532043124.db2.gz NLYXOXFQSHDWDY-GFCCVEGCSA-N 1 2 385.873 1.470 20 30 GDEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603272772 532086097 /nfs/dbraw/zinc/08/60/97/532086097.db2.gz VZXSHYDXLKHQTJ-UHFFFAOYSA-N 1 2 399.256 1.719 20 30 GDEDLO CC[C@@H](C)NC(=O)C[NH+]1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603272350 532086550 /nfs/dbraw/zinc/08/65/50/532086550.db2.gz LKRODJYFXHLWPP-GFCCVEGCSA-N 1 2 380.290 1.752 20 30 GDEDLO COC(=O)c1cnc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000424729209 532106797 /nfs/dbraw/zinc/10/67/97/532106797.db2.gz LTDXGNBGQPJDKD-NSHDSACASA-N 1 2 379.463 1.926 20 30 GDEDLO N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000272700312 532110386 /nfs/dbraw/zinc/11/03/86/532110386.db2.gz WCDFPNGSONVSEI-SFHVURJKSA-N 1 2 393.329 1.964 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)o1 ZINC000286718172 532170893 /nfs/dbraw/zinc/17/08/93/532170893.db2.gz SCIVQXJGRMCZHG-UHFFFAOYSA-N 1 2 381.376 1.427 20 30 GDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000289266952 532320124 /nfs/dbraw/zinc/32/01/24/532320124.db2.gz CPGSISWJJRRIEB-UHFFFAOYSA-N 1 2 375.809 1.717 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)nc1 ZINC000289421554 532323536 /nfs/dbraw/zinc/32/35/36/532323536.db2.gz MTXULXNDYGAYNX-QWHCGFSZSA-N 1 2 377.388 1.220 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)nc1 ZINC000289421554 532323537 /nfs/dbraw/zinc/32/35/37/532323537.db2.gz MTXULXNDYGAYNX-QWHCGFSZSA-N 1 2 377.388 1.220 20 30 GDEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000290044211 532335856 /nfs/dbraw/zinc/33/58/56/532335856.db2.gz UVVSBUSWHVHFMP-MRXNPFEDSA-N 1 2 392.301 1.657 20 30 GDEDLO C(=[NH+]Nc1ccc(-c2nn[nH]n2)cc1)c1c(N2CCOCC2)nc2ccccn21 ZINC000735397418 599147691 /nfs/dbraw/zinc/14/76/91/599147691.db2.gz BVQGYIGRLKJUKW-UHFFFAOYSA-N 1 2 389.423 1.797 20 30 GDEDLO C[C@@H]1CN(Cc2ccnc(C#N)c2)[C@@H](C)C[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826232463 607554943 /nfs/dbraw/zinc/55/49/43/607554943.db2.gz NXPOLJDYGUIPAD-LSDHHAIUSA-N 1 2 389.467 1.623 20 30 GDEDLO C[C@@H]1CN(Cc2ccnc(C#N)c2)[C@@H](C)C[N@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826232463 607554945 /nfs/dbraw/zinc/55/49/45/607554945.db2.gz NXPOLJDYGUIPAD-LSDHHAIUSA-N 1 2 389.467 1.623 20 30 GDEDLO C=CC[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000819743269 606925628 /nfs/dbraw/zinc/92/56/28/606925628.db2.gz GHSLYCXLNCPAAG-HNNXBMFYSA-N 1 2 377.470 1.311 20 30 GDEDLO C=CC[N@@H+](CCCOc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000819743269 606925630 /nfs/dbraw/zinc/92/56/30/606925630.db2.gz GHSLYCXLNCPAAG-HNNXBMFYSA-N 1 2 377.470 1.311 20 30 GDEDLO COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000826169739 608353728 /nfs/dbraw/zinc/35/37/28/608353728.db2.gz CDWJUFISMOKOHK-UHFFFAOYSA-N 1 2 376.424 1.464 20 30 GDEDLO C[C@@H](C#N)CNC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000824034011 609410929 /nfs/dbraw/zinc/41/09/29/609410929.db2.gz FKFUSGBHSFYYRY-ZDUSSCGKSA-N 1 2 391.439 1.406 20 30 GDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 ZINC000921438428 660300357 /nfs/dbraw/zinc/30/03/57/660300357.db2.gz AMKJIXCTGWPVGD-UHFFFAOYSA-N 1 2 387.864 1.813 20 30 GDEDLO O=S(=O)([C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)N1CCOCC1 ZINC000502376097 648164417 /nfs/dbraw/zinc/16/44/17/648164417.db2.gz FHEABIPTLREVTC-SFHVURJKSA-N 1 2 382.913 1.818 20 30 GDEDLO O=S(=O)([C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)N1CCOCC1 ZINC000502376097 648164424 /nfs/dbraw/zinc/16/44/24/648164424.db2.gz FHEABIPTLREVTC-SFHVURJKSA-N 1 2 382.913 1.818 20 30 GDEDLO N#Cc1ccc(OCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000590677640 652139420 /nfs/dbraw/zinc/13/94/20/652139420.db2.gz OYXODXBPTVSPPZ-AWEZNQCLSA-N 1 2 394.269 1.633 20 30 GDEDLO N#Cc1ncccc1S(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601514709 652590602 /nfs/dbraw/zinc/59/06/02/652590602.db2.gz KTHBQUJPROKUHC-UHFFFAOYSA-N 1 2 375.479 1.380 20 30 GDEDLO O=S(=O)(NC1CCCC1)c1ccc(NNC2=CS(=O)(=O)CCC2)[nH+]c1 ZINC000731925897 654453218 /nfs/dbraw/zinc/45/32/18/654453218.db2.gz BCMWXUYSVZNIHC-UHFFFAOYSA-N 1 2 386.499 1.279 20 30 GDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000772799430 654572125 /nfs/dbraw/zinc/57/21/25/654572125.db2.gz QICWQFABZNHMKA-HOTGVXAUSA-N 1 2 390.281 1.768 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000772799430 654572128 /nfs/dbraw/zinc/57/21/28/654572128.db2.gz QICWQFABZNHMKA-HOTGVXAUSA-N 1 2 390.281 1.768 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746476387 654762452 /nfs/dbraw/zinc/76/24/52/654762452.db2.gz VGRGAVVKESWSON-ZJWNCGCPSA-N 1 2 382.917 1.535 20 30 GDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC=C)CC1 ZINC000800776393 654895372 /nfs/dbraw/zinc/89/53/72/654895372.db2.gz KXRGNNYUAADDGZ-UHFFFAOYSA-N 1 2 375.274 1.977 20 30 GDEDLO O=C1N=C(N[NH+]=Cc2ccc(N3CCCCC3)c(Br)c2)NC1=O ZINC000841633243 655351713 /nfs/dbraw/zinc/35/17/13/655351713.db2.gz SPINBUNDFUKKMJ-UHFFFAOYSA-N 1 2 378.230 1.375 20 30 GDEDLO CN(Cc1cc(C#N)cs1)C(=O)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000931670541 657119365 /nfs/dbraw/zinc/11/93/65/657119365.db2.gz ZDKQYMJESURWQZ-UHFFFAOYSA-N 1 2 377.495 1.413 20 30 GDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883116914 657273397 /nfs/dbraw/zinc/27/33/97/657273397.db2.gz KEMDUHJCSUMFPC-MNOVXSKESA-N 1 2 382.262 1.946 20 30 GDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883116914 657273401 /nfs/dbraw/zinc/27/34/01/657273401.db2.gz KEMDUHJCSUMFPC-MNOVXSKESA-N 1 2 382.262 1.946 20 30 GDEDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883121961 657273984 /nfs/dbraw/zinc/27/39/84/657273984.db2.gz WMHLAEOKQWYHQR-LLVKDONJSA-N 1 2 382.262 1.948 20 30 GDEDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883121961 657273990 /nfs/dbraw/zinc/27/39/90/657273990.db2.gz WMHLAEOKQWYHQR-LLVKDONJSA-N 1 2 382.262 1.948 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000884100756 657325457 /nfs/dbraw/zinc/32/54/57/657325457.db2.gz DXCBFIWGBVOVFS-GJZGRUSLSA-N 1 2 397.269 1.796 20 30 GDEDLO C#CCC1(O)CC[NH+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000895671431 658718702 /nfs/dbraw/zinc/71/87/02/658718702.db2.gz UIYKHONVKRVXTR-UHFFFAOYSA-N 1 2 387.299 1.447 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1c(C#N)sc2ccccc21)[C@H]1C[N@H+](C)CCN1C ZINC000907401942 659746997 /nfs/dbraw/zinc/74/69/97/659746997.db2.gz HBTJBWUMHBQYFA-TZMCWYRMSA-N 1 2 378.523 1.686 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1c(C#N)sc2ccccc21)[C@H]1C[N@@H+](C)CCN1C ZINC000907401942 659747001 /nfs/dbraw/zinc/74/70/01/659747001.db2.gz HBTJBWUMHBQYFA-TZMCWYRMSA-N 1 2 378.523 1.686 20 30 GDEDLO C[NH+](C)CC#CCNC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000913516957 660085001 /nfs/dbraw/zinc/08/50/01/660085001.db2.gz MSUZAWUOEZOUHA-UHFFFAOYSA-N 1 2 387.299 1.045 20 30 GDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C#N)c(Cl)s1 ZINC001055063701 677679663 /nfs/dbraw/zinc/67/96/63/677679663.db2.gz BCAQOUPQBFSHIS-CDMKHQONSA-N 1 2 376.873 1.870 20 30 GDEDLO COc1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C#N ZINC001164910352 721777779 /nfs/dbraw/zinc/77/77/79/721777779.db2.gz BFVKHENNTTVZHB-OAQYLSRUSA-N 1 2 395.463 1.465 20 30 GDEDLO COc1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C#N ZINC001164910352 721777781 /nfs/dbraw/zinc/77/77/81/721777781.db2.gz BFVKHENNTTVZHB-OAQYLSRUSA-N 1 2 395.463 1.465 20 30 GDEDLO C=CCNC(=O)c1cccnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164918340 721819062 /nfs/dbraw/zinc/81/90/62/721819062.db2.gz OUFJOIJVLMNBFU-UHFFFAOYSA-N 1 2 380.496 1.943 20 30 GDEDLO C#CCCCCC(=O)N(C)C1C[NH+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC001573284294 946742746 /nfs/dbraw/zinc/74/27/46/946742746.db2.gz XYMSMNGCDBXNFU-UHFFFAOYSA-N 1 2 382.468 1.712 20 30 GDEDLO C=C(Br)C[N@@H+](C)CCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573291970 946925506 /nfs/dbraw/zinc/92/55/06/946925506.db2.gz MCMLLNSXLLNZKL-UHFFFAOYSA-N 1 2 382.266 1.497 20 30 GDEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573291970 946925519 /nfs/dbraw/zinc/92/55/19/946925519.db2.gz MCMLLNSXLLNZKL-UHFFFAOYSA-N 1 2 382.266 1.497 20 30 GDEDLO C=CCCCC(=O)N[C@H]1COC2(C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001573333806 947442518 /nfs/dbraw/zinc/44/25/18/947442518.db2.gz FSJPYRVKWSIESN-MRXNPFEDSA-N 1 2 382.468 1.683 20 30 GDEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573793730 949308789 /nfs/dbraw/zinc/30/87/89/949308789.db2.gz XNZIPBQRFKAFDY-QGZVFWFLSA-N 1 2 382.468 1.233 20 30 GDEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC001573793730 949308806 /nfs/dbraw/zinc/30/88/06/949308806.db2.gz XNZIPBQRFKAFDY-QGZVFWFLSA-N 1 2 382.468 1.233 20 30 GDEDLO COCC[NH+](CCOC)C1CC[NH+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001599237011 997965224 /nfs/dbraw/zinc/96/52/24/997965224.db2.gz IJBPTZJRAFMSKI-IBGZPJMESA-N 1 2 375.469 1.743 20 30 GDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000113944323 530892204 /nfs/dbraw/zinc/89/22/04/530892204.db2.gz LQNUQHCZLULXBR-AWEZNQCLSA-N 1 2 383.901 1.945 20 30 GDEDLO Cc1nc(CC(N)=[NH+]OCCN(Cc2ccccc2)S(C)(=O)=O)cs1 ZINC000190055592 530924628 /nfs/dbraw/zinc/92/46/28/530924628.db2.gz TUNXWRBWJVUMEY-UHFFFAOYSA-N 1 2 382.511 1.745 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000264136590 531169622 /nfs/dbraw/zinc/16/96/22/531169622.db2.gz HAZISDYMOZXMGJ-UHFFFAOYSA-N 1 2 378.270 1.346 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000264136590 531169623 /nfs/dbraw/zinc/16/96/23/531169623.db2.gz HAZISDYMOZXMGJ-UHFFFAOYSA-N 1 2 378.270 1.346 20 30 GDEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000154289436 531180431 /nfs/dbraw/zinc/18/04/31/531180431.db2.gz HJOFVWOUOORQMF-UHFFFAOYSA-N 1 2 377.388 1.578 20 30 GDEDLO Cn1ncc(Br)c1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000278754683 531386335 /nfs/dbraw/zinc/38/63/35/531386335.db2.gz NKDPJVNUXRXGMP-OAHLLOKOSA-N 1 2 388.269 1.945 20 30 GDEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000278845242 531394780 /nfs/dbraw/zinc/39/47/80/531394780.db2.gz PXDXVHDWGDSQNE-LLVKDONJSA-N 1 2 388.287 1.008 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(I)cn2)CC1 ZINC000450229511 531489936 /nfs/dbraw/zinc/48/99/36/531489936.db2.gz CZFCNEJEHPERJY-UHFFFAOYSA-N 1 2 386.237 1.110 20 30 GDEDLO C#CCOc1ccc(Br)cc1C[NH2+]Cc1nnc2n1CCOC2 ZINC000364631466 531582772 /nfs/dbraw/zinc/58/27/72/531582772.db2.gz LVJQIKQHWHRYLC-UHFFFAOYSA-N 1 2 377.242 1.873 20 30 GDEDLO N#Cc1cc(NC(=O)C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)ccc1Br ZINC000559907660 531612503 /nfs/dbraw/zinc/61/25/03/531612503.db2.gz FDZGZVSAJVQYCB-NSHDSACASA-N 1 2 388.225 1.656 20 30 GDEDLO N#Cc1cc(NC(=O)C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)ccc1Br ZINC000559907660 531612513 /nfs/dbraw/zinc/61/25/13/531612513.db2.gz FDZGZVSAJVQYCB-NSHDSACASA-N 1 2 388.225 1.656 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494698745 531619057 /nfs/dbraw/zinc/61/90/57/531619057.db2.gz KQADWUHMDLUZHD-AWEZNQCLSA-N 1 2 383.539 1.917 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494698745 531619065 /nfs/dbraw/zinc/61/90/65/531619065.db2.gz KQADWUHMDLUZHD-AWEZNQCLSA-N 1 2 383.539 1.917 20 30 GDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccc(Br)cc3)n2C)CC1 ZINC000283028436 531823274 /nfs/dbraw/zinc/82/32/74/531823274.db2.gz CXBQHLBWFLSZMW-UHFFFAOYSA-N 1 2 390.285 1.912 20 30 GDEDLO COc1ncc(Br)cc1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000595335767 531875279 /nfs/dbraw/zinc/87/52/79/531875279.db2.gz XHDZJDSMRUVLBN-UHFFFAOYSA-N 1 2 383.290 1.901 20 30 GDEDLO N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000595884183 531891970 /nfs/dbraw/zinc/89/19/70/531891970.db2.gz HZELNTKCONXOHF-UHFFFAOYSA-N 1 2 396.519 1.716 20 30 GDEDLO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2sc(S(N)(=O)=O)cc2C1 ZINC000595884183 531891974 /nfs/dbraw/zinc/89/19/74/531891974.db2.gz HZELNTKCONXOHF-UHFFFAOYSA-N 1 2 396.519 1.716 20 30 GDEDLO Cc1cc(S(=O)(=O)N2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)c(C)s1 ZINC000598596300 531987083 /nfs/dbraw/zinc/98/70/83/531987083.db2.gz ZOYAXYVVKWAISV-OAHLLOKOSA-N 1 2 385.555 1.972 20 30 GDEDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Br)CCN2C1=O ZINC000372814180 532046385 /nfs/dbraw/zinc/04/63/85/532046385.db2.gz YNIHAQAOFCXTQW-AWEZNQCLSA-N 1 2 377.242 1.789 20 30 GDEDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3Br)CCN2C1=O ZINC000372814180 532046393 /nfs/dbraw/zinc/04/63/93/532046393.db2.gz YNIHAQAOFCXTQW-AWEZNQCLSA-N 1 2 377.242 1.789 20 30 GDEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000271757202 532050189 /nfs/dbraw/zinc/05/01/89/532050189.db2.gz ZXDQGFPTQFLOJG-LBPRGKRZSA-N 1 2 385.873 1.470 20 30 GDEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000271757202 532050197 /nfs/dbraw/zinc/05/01/97/532050197.db2.gz ZXDQGFPTQFLOJG-LBPRGKRZSA-N 1 2 385.873 1.470 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cscc2Br)CC1 ZINC000285505979 532088949 /nfs/dbraw/zinc/08/89/49/532088949.db2.gz XYMYHDQKZYBVAP-UHFFFAOYSA-N 1 2 384.299 1.408 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cscc2Br)CC1 ZINC000285505979 532088956 /nfs/dbraw/zinc/08/89/56/532088956.db2.gz XYMYHDQKZYBVAP-UHFFFAOYSA-N 1 2 384.299 1.408 20 30 GDEDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C[C@H](C)O1 ZINC000329505943 532104867 /nfs/dbraw/zinc/10/48/67/532104867.db2.gz WSQVCTGEUNDFQX-ZNMIVQPWSA-N 1 2 375.535 1.203 20 30 GDEDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C[C@H](C)O1 ZINC000329505943 532104872 /nfs/dbraw/zinc/10/48/72/532104872.db2.gz WSQVCTGEUNDFQX-ZNMIVQPWSA-N 1 2 375.535 1.203 20 30 GDEDLO N#CC1(CS(=O)(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000330030417 532112121 /nfs/dbraw/zinc/11/21/21/532112121.db2.gz ROYTXSVCBOMHHC-QGZVFWFLSA-N 1 2 387.571 1.588 20 30 GDEDLO CC(C)(C(N)=O)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287241257 532204011 /nfs/dbraw/zinc/20/40/11/532204011.db2.gz OSYZVEVDRQPNMN-UHFFFAOYSA-N 1 2 394.273 1.734 20 30 GDEDLO C=CC[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000819743272 606925782 /nfs/dbraw/zinc/92/57/82/606925782.db2.gz GHSLYCXLNCPAAG-OAHLLOKOSA-N 1 2 377.470 1.311 20 30 GDEDLO C=CC[N@@H+](CCCOc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000819743272 606925784 /nfs/dbraw/zinc/92/57/84/606925784.db2.gz GHSLYCXLNCPAAG-OAHLLOKOSA-N 1 2 377.470 1.311 20 30 GDEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386472 608069864 /nfs/dbraw/zinc/06/98/64/608069864.db2.gz GPLOEAYGIZHRCM-RBUKOAKNSA-N 1 2 376.420 1.845 20 30 GDEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386472 608069865 /nfs/dbraw/zinc/06/98/65/608069865.db2.gz GPLOEAYGIZHRCM-RBUKOAKNSA-N 1 2 376.420 1.845 20 30 GDEDLO C=C(Br)CNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000195017179 645066158 /nfs/dbraw/zinc/06/61/58/645066158.db2.gz JPCYSTOZHAKUAS-UHFFFAOYSA-N 1 2 396.289 1.328 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)nc1 ZINC000579249225 651845189 /nfs/dbraw/zinc/84/51/89/651845189.db2.gz URLCVYFKRYVZBK-HZPDHXFCSA-N 1 2 381.523 1.713 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)nc1 ZINC000579249225 651845196 /nfs/dbraw/zinc/84/51/96/651845196.db2.gz URLCVYFKRYVZBK-HZPDHXFCSA-N 1 2 381.523 1.713 20 30 GDEDLO N#CCC(=O)N1CC[NH+](CCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000594016976 652266842 /nfs/dbraw/zinc/26/68/42/652266842.db2.gz WVEPGUSMQJQDCP-UHFFFAOYSA-N 1 2 397.248 1.975 20 30 GDEDLO N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000601970012 652612279 /nfs/dbraw/zinc/61/22/79/652612279.db2.gz WGXCWCKDSJTNKY-SNVBAGLBSA-N 1 2 381.255 1.811 20 30 GDEDLO CC1(C)NC(=O)N(CCCO[NH+]=C(N)c2ccc(Br)cc2)C1=O ZINC000782947620 654849044 /nfs/dbraw/zinc/84/90/44/654849044.db2.gz CZLBBCNHIVTYPJ-UHFFFAOYSA-N 1 2 383.246 1.807 20 30 GDEDLO C=CCN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787896148 654975050 /nfs/dbraw/zinc/97/50/50/654975050.db2.gz LYXLWJJNQUBGDW-UHFFFAOYSA-N 1 2 395.301 1.784 20 30 GDEDLO NC(=[NH+]OCc1nnn(CC(F)(F)F)n1)c1ccc(Br)cc1 ZINC000809997709 655145832 /nfs/dbraw/zinc/14/58/32/655145832.db2.gz DTOMBSNMYGQLTE-UHFFFAOYSA-N 1 2 379.140 1.835 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)O[C@H](C)C[NH+]2CCOCC2)s1 ZINC000873494015 656393161 /nfs/dbraw/zinc/39/31/61/656393161.db2.gz DLNUIPZWPMYXOJ-CYBMUJFWSA-N 1 2 388.511 1.019 20 30 GDEDLO C#CC[C@H](CO)NC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000921943840 656430428 /nfs/dbraw/zinc/43/04/28/656430428.db2.gz NXUVUGXEQGJOBK-CQSZACIVSA-N 1 2 379.258 1.631 20 30 GDEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(I)cc2C)CC1 ZINC000931146172 657073171 /nfs/dbraw/zinc/07/31/71/657073171.db2.gz VCDGCBMQCIVBSZ-UHFFFAOYSA-N 1 2 398.244 1.998 20 30 GDEDLO Cc1nc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)sc1SCC#N ZINC000931387601 657096495 /nfs/dbraw/zinc/09/64/95/657096495.db2.gz INEXYTLWWIISPP-OLZOCXBDSA-N 1 2 382.511 1.886 20 30 GDEDLO C[C@H](C(=O)NC(N)=O)[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946788 657233250 /nfs/dbraw/zinc/23/32/50/657233250.db2.gz VFYGSLJDYOYSLP-HSUXUTPPSA-N 1 2 383.239 1.673 20 30 GDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883086800 657268505 /nfs/dbraw/zinc/26/85/05/657268505.db2.gz FFHRDNSRSJCWSD-NSHDSACASA-N 1 2 381.278 1.473 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000891603191 658254191 /nfs/dbraw/zinc/25/41/91/658254191.db2.gz NVYOLUGESLCYMD-LLVKDONJSA-N 1 2 382.233 1.741 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000891603191 658254197 /nfs/dbraw/zinc/25/41/97/658254197.db2.gz NVYOLUGESLCYMD-LLVKDONJSA-N 1 2 382.233 1.741 20 30 GDEDLO Cn1nc(Br)nc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000894431536 658557344 /nfs/dbraw/zinc/55/73/44/658557344.db2.gz QFGOMYXKXNLNNX-ZDUSSCGKSA-N 1 2 389.257 1.734 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)nc1 ZINC000907317041 659726012 /nfs/dbraw/zinc/72/60/12/659726012.db2.gz TVWAVTARMLFFQA-UHFFFAOYSA-N 1 2 375.479 1.380 20 30 GDEDLO C[C@H](NS(=O)(=O)c1c(C#N)sc2ccccc21)[C@@H]1C[N@H+](C)CCN1C ZINC000907401940 659746951 /nfs/dbraw/zinc/74/69/51/659746951.db2.gz HBTJBWUMHBQYFA-JSGCOSHPSA-N 1 2 378.523 1.686 20 30 GDEDLO C[C@H](NS(=O)(=O)c1c(C#N)sc2ccccc21)[C@@H]1C[N@@H+](C)CCN1C ZINC000907401940 659746954 /nfs/dbraw/zinc/74/69/54/659746954.db2.gz HBTJBWUMHBQYFA-JSGCOSHPSA-N 1 2 378.523 1.686 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1c(C#N)sc2ccccc21)[C@@H]1C[N@H+](C)CCN1C ZINC000907401941 659747051 /nfs/dbraw/zinc/74/70/51/659747051.db2.gz HBTJBWUMHBQYFA-OCCSQVGLSA-N 1 2 378.523 1.686 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1c(C#N)sc2ccccc21)[C@@H]1C[N@@H+](C)CCN1C ZINC000907401941 659747054 /nfs/dbraw/zinc/74/70/54/659747054.db2.gz HBTJBWUMHBQYFA-OCCSQVGLSA-N 1 2 378.523 1.686 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(Cl)nc1C#N ZINC001164700897 719844731 /nfs/dbraw/zinc/84/47/31/719844731.db2.gz LADRMQWOSFTUEL-PXAZEXFGSA-N 1 2 379.848 1.234 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc([N+](=O)[O-])cc1C#N ZINC001164699469 719850841 /nfs/dbraw/zinc/85/08/41/719850841.db2.gz FMBZAQVSMVYCMO-KSSFIOAISA-N 1 2 389.412 1.094 20 30 GDEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573295368 947016988 /nfs/dbraw/zinc/01/69/88/947016988.db2.gz PMZGDIITHONRHR-NSHDSACASA-N 1 2 385.806 1.634 20 30 GDEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573295368 947017001 /nfs/dbraw/zinc/01/70/01/947017001.db2.gz PMZGDIITHONRHR-NSHDSACASA-N 1 2 385.806 1.634 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(Br)c(O)c1 ZINC000164262600 530579029 /nfs/dbraw/zinc/57/90/29/530579029.db2.gz XJNMROXIVKOACS-UHFFFAOYSA-N 1 2 382.258 1.843 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000176502553 530685023 /nfs/dbraw/zinc/68/50/23/530685023.db2.gz VXBPDTABYHZMQA-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000176502553 530685025 /nfs/dbraw/zinc/68/50/25/530685025.db2.gz VXBPDTABYHZMQA-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO Cc1ccc(NC(=O)CO[NH+]=C(N)CN2CCOCC2)c(Br)c1 ZINC000111181795 530872709 /nfs/dbraw/zinc/87/27/09/530872709.db2.gz ARILPUZTECIGKH-UHFFFAOYSA-N 1 2 385.262 1.317 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000188722805 530899185 /nfs/dbraw/zinc/89/91/85/530899185.db2.gz YRGMZOQNCZCPNO-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1CCO ZINC000188722805 530899188 /nfs/dbraw/zinc/89/91/88/530899188.db2.gz YRGMZOQNCZCPNO-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO CNS(=O)(=O)c1ccccc1N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000131198168 531068009 /nfs/dbraw/zinc/06/80/09/531068009.db2.gz RGLNAFUNQIKKBR-UHFFFAOYSA-N 1 2 376.507 1.850 20 30 GDEDLO Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)s1 ZINC000152496396 531152744 /nfs/dbraw/zinc/15/27/44/531152744.db2.gz SUVZASYDSBDNBV-OAHLLOKOSA-N 1 2 378.479 1.023 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000444733263 531402936 /nfs/dbraw/zinc/40/29/36/531402936.db2.gz MKGRKTJIFJTUHT-DZGCQCFKSA-N 1 2 376.400 1.967 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000444733263 531402941 /nfs/dbraw/zinc/40/29/41/531402941.db2.gz MKGRKTJIFJTUHT-DZGCQCFKSA-N 1 2 376.400 1.967 20 30 GDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1C#N ZINC000294841995 531501905 /nfs/dbraw/zinc/50/19/05/531501905.db2.gz FJSGPVNLXCUYNW-AWEZNQCLSA-N 1 2 382.258 1.086 20 30 GDEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365277177 531635049 /nfs/dbraw/zinc/63/50/49/531635049.db2.gz YUBQPALBQFEFQY-BXUZGUMPSA-N 1 2 384.889 1.552 20 30 GDEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365277177 531635051 /nfs/dbraw/zinc/63/50/51/531635051.db2.gz YUBQPALBQFEFQY-BXUZGUMPSA-N 1 2 384.889 1.552 20 30 GDEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@H+](C)C1 ZINC000416594698 531695482 /nfs/dbraw/zinc/69/54/82/531695482.db2.gz WQWDGMUBEWSPKM-ZDUSSCGKSA-N 1 2 385.873 1.131 20 30 GDEDLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@@H+](C)C1 ZINC000416594698 531695488 /nfs/dbraw/zinc/69/54/88/531695488.db2.gz WQWDGMUBEWSPKM-ZDUSSCGKSA-N 1 2 385.873 1.131 20 30 GDEDLO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592145943 531767282 /nfs/dbraw/zinc/76/72/82/531767282.db2.gz BXXJXQRVVPMWTQ-IAQYHMDHSA-N 1 2 399.232 1.969 20 30 GDEDLO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592145943 531767290 /nfs/dbraw/zinc/76/72/90/531767290.db2.gz BXXJXQRVVPMWTQ-IAQYHMDHSA-N 1 2 399.232 1.969 20 30 GDEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000452108120 531767335 /nfs/dbraw/zinc/76/73/35/531767335.db2.gz VDJLUGAURLXJRZ-LLVKDONJSA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000452108120 531767338 /nfs/dbraw/zinc/76/73/38/531767338.db2.gz VDJLUGAURLXJRZ-LLVKDONJSA-N 1 2 388.287 1.008 20 30 GDEDLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)CSCC#N)c2)CC1 ZINC000298531854 531898841 /nfs/dbraw/zinc/89/88/41/531898841.db2.gz WCTJSOWROULYHX-UHFFFAOYSA-N 1 2 382.511 1.208 20 30 GDEDLO N#Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1Br ZINC000419663085 531949236 /nfs/dbraw/zinc/94/92/36/531949236.db2.gz HMBMTNRPIVACDH-UHFFFAOYSA-N 1 2 377.242 1.566 20 30 GDEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[NH+](CCOC)CC1 ZINC000459866422 532032020 /nfs/dbraw/zinc/03/20/20/532032020.db2.gz UDPKQWAUEXCWGB-UHFFFAOYSA-N 1 2 385.917 1.707 20 30 GDEDLO N#CCCC[C@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000424120843 532083997 /nfs/dbraw/zinc/08/39/97/532083997.db2.gz HSJDSZNHDWSRKT-ZDUSSCGKSA-N 1 2 379.467 1.904 20 30 GDEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)C[C@@H](C)O1 ZINC000329622839 532107727 /nfs/dbraw/zinc/10/77/27/532107727.db2.gz NORJECVIIAWXNU-ZIAGYGMSSA-N 1 2 375.535 1.297 20 30 GDEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)C[C@@H]21 ZINC000330353235 532119676 /nfs/dbraw/zinc/11/96/76/532119676.db2.gz OFLXEKJLPFGESR-GJZGRUSLSA-N 1 2 387.889 1.346 20 30 GDEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)C[C@@H]21 ZINC000330353235 532119682 /nfs/dbraw/zinc/11/96/82/532119682.db2.gz OFLXEKJLPFGESR-GJZGRUSLSA-N 1 2 387.889 1.346 20 30 GDEDLO N#CC1(CS(=O)(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCCCC1 ZINC000330030416 532112450 /nfs/dbraw/zinc/11/24/50/532112450.db2.gz ROYTXSVCBOMHHC-KRWDZBQOSA-N 1 2 387.571 1.588 20 30 GDEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000330859977 532131221 /nfs/dbraw/zinc/13/12/21/532131221.db2.gz KKABXVJDAATJEJ-LLVKDONJSA-N 1 2 376.866 1.368 20 30 GDEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000330859977 532131223 /nfs/dbraw/zinc/13/12/23/532131223.db2.gz KKABXVJDAATJEJ-LLVKDONJSA-N 1 2 376.866 1.368 20 30 GDEDLO C[N@@H+]1CCO[C@H](C[NH+]=C([O-])Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000330859977 532131226 /nfs/dbraw/zinc/13/12/26/532131226.db2.gz KKABXVJDAATJEJ-LLVKDONJSA-N 1 2 376.866 1.368 20 30 GDEDLO C[N@H+]1CCO[C@H](C[NH+]=C([O-])Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1 ZINC000330859977 532131230 /nfs/dbraw/zinc/13/12/30/532131230.db2.gz KKABXVJDAATJEJ-LLVKDONJSA-N 1 2 376.866 1.368 20 30 GDEDLO Cc1cc(Br)cn2cc(CCNC(=O)N3CCO[C@@H](C#N)C3)[nH+]c12 ZINC000273570267 532157386 /nfs/dbraw/zinc/15/73/86/532157386.db2.gz KLLAGJKBDKJBTE-AWEZNQCLSA-N 1 2 392.257 1.882 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000735420692 598272200 /nfs/dbraw/zinc/27/22/00/598272200.db2.gz QEYSSWXBLZJNEL-CVEARBPZSA-N 1 2 399.499 1.674 20 30 GDEDLO C[C@H](CC#N)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000602867888 652650674 /nfs/dbraw/zinc/65/06/74/652650674.db2.gz FKRBYCZQDZRUGU-CYBMUJFWSA-N 1 2 384.889 1.065 20 30 GDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2cccc(Br)c2)nn1 ZINC000641196968 653562559 /nfs/dbraw/zinc/56/25/59/653562559.db2.gz UQOBISMXMZZPQO-OAHLLOKOSA-N 1 2 379.258 1.593 20 30 GDEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCN1CCCS1(=O)=O ZINC000676627534 654646985 /nfs/dbraw/zinc/64/69/85/654646985.db2.gz XHLJNLHPMWTRGN-UHFFFAOYSA-N 1 2 376.400 1.904 20 30 GDEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCN1CCCS1(=O)=O ZINC000676627534 654646988 /nfs/dbraw/zinc/64/69/88/654646988.db2.gz XHLJNLHPMWTRGN-UHFFFAOYSA-N 1 2 376.400 1.904 20 30 GDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000839527000 655251364 /nfs/dbraw/zinc/25/13/64/655251364.db2.gz HUEQAGQMEUVCOC-UHFFFAOYSA-N 1 2 377.388 1.170 20 30 GDEDLO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000850359441 655552882 /nfs/dbraw/zinc/55/28/82/655552882.db2.gz HZKZAKQHCDMUGA-HIFRSBDPSA-N 1 2 388.283 1.363 20 30 GDEDLO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CS(=O)(=O)C[C@H]1OC ZINC000850359440 655552937 /nfs/dbraw/zinc/55/29/37/655552937.db2.gz HZKZAKQHCDMUGA-DZGCQCFKSA-N 1 2 388.283 1.363 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)OCC[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000873494177 656393054 /nfs/dbraw/zinc/39/30/54/656393054.db2.gz FJTPDIZYOHIZNE-ZDUSSCGKSA-N 1 2 388.511 1.019 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)OCC[N@H+]2CCO[C@@H](C)C2)s1 ZINC000873494177 656393059 /nfs/dbraw/zinc/39/30/59/656393059.db2.gz FJTPDIZYOHIZNE-ZDUSSCGKSA-N 1 2 388.511 1.019 20 30 GDEDLO CC(C)(CNC(=O)Nc1ccc(Br)c(C#N)n1)[NH+]1CCOCC1 ZINC000883076106 657267225 /nfs/dbraw/zinc/26/72/25/657267225.db2.gz ULWZJRDHUTWISM-UHFFFAOYSA-N 1 2 382.262 1.948 20 30 GDEDLO CC1(C)C[N@H+](CCNC(=O)Nc2ccc(Br)c(C#N)n2)CCO1 ZINC000883084401 657268542 /nfs/dbraw/zinc/26/85/42/657268542.db2.gz QHHVUAXXZABCFE-UHFFFAOYSA-N 1 2 382.262 1.948 20 30 GDEDLO CC1(C)C[N@@H+](CCNC(=O)Nc2ccc(Br)c(C#N)n2)CCO1 ZINC000883084401 657268545 /nfs/dbraw/zinc/26/85/45/657268545.db2.gz QHHVUAXXZABCFE-UHFFFAOYSA-N 1 2 382.262 1.948 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC000884219814 657335967 /nfs/dbraw/zinc/33/59/67/657335967.db2.gz YLYWKNDIHLFVTK-JSGCOSHPSA-N 1 2 396.285 1.591 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOc2cc(Br)ccc2C1 ZINC000884418182 657355315 /nfs/dbraw/zinc/35/53/15/657355315.db2.gz AMQNJGFOXYKXGI-ZDUSSCGKSA-N 1 2 383.242 1.617 20 30 GDEDLO C=CCC1(O)CC[NH+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000895828271 658732687 /nfs/dbraw/zinc/73/26/87/658732687.db2.gz UPKVFGDDFDAGIR-UHFFFAOYSA-N 1 2 389.315 2.000 20 30 GDEDLO N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c(F)c1 ZINC001571155714 952698909 /nfs/dbraw/zinc/69/89/09/952698909.db2.gz YIZHYWQKYDNCSA-ZDUSSCGKSA-N 1 2 380.387 1.210 20 30 GDEDLO N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c(F)c1 ZINC001571155714 952698911 /nfs/dbraw/zinc/69/89/11/952698911.db2.gz YIZHYWQKYDNCSA-ZDUSSCGKSA-N 1 2 380.387 1.210 20 30 GDEDLO Cc1ncsc1CC[NH+]1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000172520753 530614125 /nfs/dbraw/zinc/61/41/25/530614125.db2.gz OTAXSXWAYRZSBN-UHFFFAOYSA-N 1 2 376.507 1.872 20 30 GDEDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000057842576 530728445 /nfs/dbraw/zinc/72/84/45/530728445.db2.gz XGOGQWFKCGBPLV-LLVKDONJSA-N 1 2 378.479 1.899 20 30 GDEDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000057842576 530728448 /nfs/dbraw/zinc/72/84/48/530728448.db2.gz XGOGQWFKCGBPLV-LLVKDONJSA-N 1 2 378.479 1.899 20 30 GDEDLO Cc1nc(N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)cc[nH+]1 ZINC000184953484 530834758 /nfs/dbraw/zinc/83/47/58/530834758.db2.gz DHCAKYDXUPKCIB-UHFFFAOYSA-N 1 2 377.857 1.821 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)cc(Br)c2)CC1 ZINC000132009284 531077019 /nfs/dbraw/zinc/07/70/19/531077019.db2.gz SPRMJQKEVNNNCE-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)cc(Br)c2)CC1 ZINC000132009284 531077021 /nfs/dbraw/zinc/07/70/21/531077021.db2.gz SPRMJQKEVNNNCE-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000249741238 531088946 /nfs/dbraw/zinc/08/89/46/531088946.db2.gz YBJHMXJCOXNMDC-SMDDNHRTSA-N 1 2 384.889 1.552 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000249741238 531088947 /nfs/dbraw/zinc/08/89/47/531088947.db2.gz YBJHMXJCOXNMDC-SMDDNHRTSA-N 1 2 384.889 1.552 20 30 GDEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000264770902 531200360 /nfs/dbraw/zinc/20/03/60/531200360.db2.gz RGQHHALKJRVEGB-LBPRGKRZSA-N 1 2 376.404 1.101 20 30 GDEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000264770902 531200361 /nfs/dbraw/zinc/20/03/61/531200361.db2.gz RGQHHALKJRVEGB-LBPRGKRZSA-N 1 2 376.404 1.101 20 30 GDEDLO C[N@@H+]1CCO[C@H](C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000266852020 531373118 /nfs/dbraw/zinc/37/31/18/531373118.db2.gz PTYAQMGIELRPEI-ZDUSSCGKSA-N 1 2 375.479 1.971 20 30 GDEDLO C[N@H+]1CCO[C@H](C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 ZINC000266852020 531373124 /nfs/dbraw/zinc/37/31/24/531373124.db2.gz PTYAQMGIELRPEI-ZDUSSCGKSA-N 1 2 375.479 1.971 20 30 GDEDLO CCN(C(=O)[C@@H](C)O[NH+]=C(N)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000267341750 531421204 /nfs/dbraw/zinc/42/12/04/531421204.db2.gz NYILWPGKRZAPKI-BXUZGUMPSA-N 1 2 387.889 1.401 20 30 GDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449848424 531479408 /nfs/dbraw/zinc/47/94/08/531479408.db2.gz JLZCYEOBXLKIJD-CYBMUJFWSA-N 1 2 395.301 1.452 20 30 GDEDLO C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451195137 531565384 /nfs/dbraw/zinc/56/53/84/531565384.db2.gz XDUAHNCIXJEOER-VIFPVBQESA-N 1 2 376.251 1.784 20 30 GDEDLO C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451195137 531565390 /nfs/dbraw/zinc/56/53/90/531565390.db2.gz XDUAHNCIXJEOER-VIFPVBQESA-N 1 2 376.251 1.784 20 30 GDEDLO CS(=O)(=O)N1CC[NH+](CCNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000613873763 531575880 /nfs/dbraw/zinc/57/58/80/531575880.db2.gz RUMFIRHKNIIDPF-UHFFFAOYSA-N 1 2 376.404 1.566 20 30 GDEDLO N#Cc1ccc(Br)cc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000555947337 531587156 /nfs/dbraw/zinc/58/71/56/531587156.db2.gz MMZMBMUYRGQHHH-UHFFFAOYSA-N 1 2 388.287 1.321 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511649024 531796305 /nfs/dbraw/zinc/79/63/05/531796305.db2.gz RBHVKJLQEANKKD-ZFWWWQNUSA-N 1 2 376.400 1.825 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511649024 531796312 /nfs/dbraw/zinc/79/63/12/531796312.db2.gz RBHVKJLQEANKKD-ZFWWWQNUSA-N 1 2 376.400 1.825 20 30 GDEDLO NC(COc1ccc(Cl)cc1Cl)=[NH+]OCCCN1C(=O)CNC1=O ZINC000270263941 531850723 /nfs/dbraw/zinc/85/07/23/531850723.db2.gz OTCPYGQNANMOFB-UHFFFAOYSA-N 1 2 375.212 1.603 20 30 GDEDLO N#Cc1cc(Br)ccc1CC(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000593540270 531840579 /nfs/dbraw/zinc/84/05/79/531840579.db2.gz QBOORSLKZZXEJF-UHFFFAOYSA-N 1 2 396.285 1.016 20 30 GDEDLO N#Cc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 ZINC000602542334 532080613 /nfs/dbraw/zinc/08/06/13/532080613.db2.gz VKBOEXYNFBMWOO-UHFFFAOYSA-N 1 2 378.479 1.325 20 30 GDEDLO CCN(CC)C(=O)C[NH+]1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603272192 532086286 /nfs/dbraw/zinc/08/62/86/532086286.db2.gz LSEOJEWECOVVPE-UHFFFAOYSA-N 1 2 380.290 1.706 20 30 GDEDLO COC(=O)c1cnc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000424732056 532106624 /nfs/dbraw/zinc/10/66/24/532106624.db2.gz PSVVBGRJFQVRBG-JTQLQIEISA-N 1 2 380.451 1.321 20 30 GDEDLO CN(C)S(=O)(=O)c1ccc(CN(CCC#N)CC[NH+]2CCOCC2)s1 ZINC000425417359 532139327 /nfs/dbraw/zinc/13/93/27/532139327.db2.gz HPNWHZAZUMFHON-UHFFFAOYSA-N 1 2 386.543 1.046 20 30 GDEDLO N#Cc1c[nH]c(C(=O)N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)c1 ZINC000822819527 606265668 /nfs/dbraw/zinc/26/56/68/606265668.db2.gz ULVMJFQBZLNYSZ-UHFFFAOYSA-N 1 2 399.418 1.577 20 30 GDEDLO N#CCC[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)CCN1CCOCC1 ZINC000822810258 606907770 /nfs/dbraw/zinc/90/77/70/606907770.db2.gz FAJPRKDWXCZWDO-UHFFFAOYSA-N 1 2 385.472 1.183 20 30 GDEDLO N#CCC[N@@H+](CCCOc1cccc(-c2nn[nH]n2)c1)CCN1CCOCC1 ZINC000822810258 606907773 /nfs/dbraw/zinc/90/77/73/606907773.db2.gz FAJPRKDWXCZWDO-UHFFFAOYSA-N 1 2 385.472 1.183 20 30 GDEDLO N#CCCN(CCCOc1cccc(-c2nn[nH]n2)c1)CC[NH+]1CCOCC1 ZINC000822810258 606907774 /nfs/dbraw/zinc/90/77/74/606907774.db2.gz FAJPRKDWXCZWDO-UHFFFAOYSA-N 1 2 385.472 1.183 20 30 GDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824999738 608400652 /nfs/dbraw/zinc/40/06/52/608400652.db2.gz ITUJJVOFIATQNX-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824999738 608400654 /nfs/dbraw/zinc/40/06/54/608400654.db2.gz ITUJJVOFIATQNX-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO N#Cc1ccccc1N1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826387366 608515512 /nfs/dbraw/zinc/51/55/12/608515512.db2.gz RQSHXIVEMVBELF-UHFFFAOYSA-N 1 2 385.435 1.708 20 30 GDEDLO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826387733 608548547 /nfs/dbraw/zinc/54/85/47/608548547.db2.gz NUCSXNRPANDJHR-UHFFFAOYSA-N 1 2 392.379 1.902 20 30 GDEDLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000069254390 644576716 /nfs/dbraw/zinc/57/67/16/644576716.db2.gz QRSDGUNKJBTFQD-UHFFFAOYSA-N 1 2 384.889 1.842 20 30 GDEDLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000330944041 645439690 /nfs/dbraw/zinc/43/96/90/645439690.db2.gz IEZWQRVULFIJHZ-LLVKDONJSA-N 1 2 389.319 1.677 20 30 GDEDLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000330944041 645439696 /nfs/dbraw/zinc/43/96/96/645439696.db2.gz IEZWQRVULFIJHZ-LLVKDONJSA-N 1 2 389.319 1.677 20 30 GDEDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)s1 ZINC000421375854 646008065 /nfs/dbraw/zinc/00/80/65/646008065.db2.gz GSSGPXYIEMVVBA-UHFFFAOYSA-N 1 2 380.451 1.938 20 30 GDEDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)s1 ZINC000421375854 646008070 /nfs/dbraw/zinc/00/80/70/646008070.db2.gz GSSGPXYIEMVVBA-UHFFFAOYSA-N 1 2 380.451 1.938 20 30 GDEDLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602469283 652638477 /nfs/dbraw/zinc/63/84/77/652638477.db2.gz PWSRZQPSZUKWJU-UHFFFAOYSA-N 1 2 376.404 1.742 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613633454 652958734 /nfs/dbraw/zinc/95/87/34/652958734.db2.gz GULWNCHVPLXZHI-CABCVRRESA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613633454 652958735 /nfs/dbraw/zinc/95/87/35/652958735.db2.gz GULWNCHVPLXZHI-CABCVRRESA-N 1 2 385.555 1.665 20 30 GDEDLO C#CC[NH+]1CCN(Cn2ncc3c2ccc(Br)c3C(=O)OC)CC1 ZINC000790440616 655049249 /nfs/dbraw/zinc/04/92/49/655049249.db2.gz ZESAXXUXQXSXEI-UHFFFAOYSA-N 1 2 391.269 1.794 20 30 GDEDLO COc1[nH+]c(N)nc(N2CCCC2)c1CN=Nc1ncc(Br)cn1 ZINC000848422702 655489396 /nfs/dbraw/zinc/48/93/96/655489396.db2.gz ZUCBCVFALJKSAM-UHFFFAOYSA-N 1 2 393.249 1.666 20 30 GDEDLO C[NH+]1CCC(C#N)(NC(=O)c2ccc(I)cc2O)CC1 ZINC000865198222 655914357 /nfs/dbraw/zinc/91/43/57/655914357.db2.gz ICWXDLKRBMXBKQ-UHFFFAOYSA-N 1 2 385.205 1.715 20 30 GDEDLO C#CC[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000886363866 657646084 /nfs/dbraw/zinc/64/60/84/657646084.db2.gz GKEOHFFWSSEQIN-HNNXBMFYSA-N 1 2 384.523 1.056 20 30 GDEDLO C#CC[C@H]1CC[N@H+](CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000886363866 657646093 /nfs/dbraw/zinc/64/60/93/657646093.db2.gz GKEOHFFWSSEQIN-HNNXBMFYSA-N 1 2 384.523 1.056 20 30 GDEDLO C[NH+](C)CC#CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000913519888 660084928 /nfs/dbraw/zinc/08/49/28/660084928.db2.gz SUYWECIUDLMXET-UHFFFAOYSA-N 1 2 378.479 1.239 20 30 GDEDLO COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)cc(C#N)n3)CC2)C1=O ZINC001164632937 719272830 /nfs/dbraw/zinc/27/28/30/719272830.db2.gz DNKSTAJNYGSBRU-UHFFFAOYSA-N 1 2 377.876 1.366 20 30 GDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)cc(C#N)n3)CC2)C1=O ZINC001164632937 719272834 /nfs/dbraw/zinc/27/28/34/719272834.db2.gz DNKSTAJNYGSBRU-UHFFFAOYSA-N 1 2 377.876 1.366 20 30 GDEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3c(cc1C#N)COCC3)C2 ZINC001165010994 721718661 /nfs/dbraw/zinc/71/86/61/721718661.db2.gz LVBSDPIEFVGLMP-UHFFFAOYSA-N 1 2 381.484 1.868 20 30 GDEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3c(cc1C#N)COCC3)C2 ZINC001165010994 721718673 /nfs/dbraw/zinc/71/86/73/721718673.db2.gz LVBSDPIEFVGLMP-UHFFFAOYSA-N 1 2 381.484 1.868 20 30 GDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)CC1 ZINC000823844772 946490774 /nfs/dbraw/zinc/49/07/74/946490774.db2.gz IPBIHONNZGCUSV-UHFFFAOYSA-N 1 2 390.451 1.142 20 30 GDEDLO C#CCCCCC(=O)NC1(CCO)C[NH+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573283938 946730480 /nfs/dbraw/zinc/73/04/80/946730480.db2.gz OGEZKSKPJQSPRP-UHFFFAOYSA-N 1 2 382.468 1.113 20 30 GDEDLO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001573358050 947654785 /nfs/dbraw/zinc/65/47/85/947654785.db2.gz DNYLILWZBNTKFW-QGZVFWFLSA-N 1 2 382.468 1.759 20 30 GDEDLO CC#CCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001573358050 947654791 /nfs/dbraw/zinc/65/47/91/947654791.db2.gz DNYLILWZBNTKFW-QGZVFWFLSA-N 1 2 382.468 1.759 20 30 GDEDLO C#CCC[NH+]1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1 ZINC000068444787 530787713 /nfs/dbraw/zinc/78/77/13/530787713.db2.gz DUQWAAKEXOXJAS-UHFFFAOYSA-N 1 2 376.507 1.157 20 30 GDEDLO CN1CC[C@@H]([NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O ZINC000181437357 530783592 /nfs/dbraw/zinc/78/35/92/530783592.db2.gz ABVRAMWCYDBRNZ-CVEARBPZSA-N 1 2 377.286 1.862 20 30 GDEDLO NC(CN1CCOCC1)=[NH+]OCc1nnc(-c2ccccc2Br)o1 ZINC000111182055 530873242 /nfs/dbraw/zinc/87/32/42/530873242.db2.gz KOPHAGFKQABELN-UHFFFAOYSA-N 1 2 396.245 1.620 20 30 GDEDLO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000194592087 531007295 /nfs/dbraw/zinc/00/72/95/531007295.db2.gz XTQFZLWFCZFYLI-ZDUSSCGKSA-N 1 2 384.527 1.251 20 30 GDEDLO C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000126696224 531021357 /nfs/dbraw/zinc/02/13/57/531021357.db2.gz QZMQJENTZQZYFN-XESHVACXSA-N 1 2 382.555 1.156 20 30 GDEDLO C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000126696224 531021362 /nfs/dbraw/zinc/02/13/62/531021362.db2.gz QZMQJENTZQZYFN-XESHVACXSA-N 1 2 382.555 1.156 20 30 GDEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000245527251 531057340 /nfs/dbraw/zinc/05/73/40/531057340.db2.gz COILRJIZJYQORP-BXUZGUMPSA-N 1 2 384.889 1.552 20 30 GDEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000245527251 531057342 /nfs/dbraw/zinc/05/73/42/531057342.db2.gz COILRJIZJYQORP-BXUZGUMPSA-N 1 2 384.889 1.552 20 30 GDEDLO C[N@H+]1CCO[C@@H]([C@@H](NS(=O)(=O)CC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000248625809 531079762 /nfs/dbraw/zinc/07/97/62/531079762.db2.gz FPWAHOFWHUXFID-CVEARBPZSA-N 1 2 383.901 1.935 20 30 GDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1cc2c(cc1Br)OCCO2 ZINC000264800512 531201107 /nfs/dbraw/zinc/20/11/07/531201107.db2.gz MVLOHCJYNTVGLJ-UHFFFAOYSA-N 1 2 386.246 1.924 20 30 GDEDLO CN(C1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1)S(C)(=O)=O ZINC000408402400 531237777 /nfs/dbraw/zinc/23/77/77/531237777.db2.gz MMSOYFREQVISHY-CQSZACIVSA-N 1 2 382.511 1.081 20 30 GDEDLO Cc1cc(S(=O)(=O)N2CC[NH+](C[C@@H](O)CC3(C#N)CC3)CC2)c(C)s1 ZINC000528408713 531354942 /nfs/dbraw/zinc/35/49/42/531354942.db2.gz LOJBBNRBEPKUQO-HNNXBMFYSA-N 1 2 383.539 1.726 20 30 GDEDLO CN(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@H](O)C[N@H+](C)CCC#N ZINC000414124218 531431548 /nfs/dbraw/zinc/43/15/48/531431548.db2.gz KIBKSIAEVBCFPO-CYBMUJFWSA-N 1 2 375.878 1.175 20 30 GDEDLO CN(C)S(=O)(=O)c1cc(Cl)ccc1OC[C@H](O)C[N@@H+](C)CCC#N ZINC000414124218 531431551 /nfs/dbraw/zinc/43/15/51/531431551.db2.gz KIBKSIAEVBCFPO-CYBMUJFWSA-N 1 2 375.878 1.175 20 30 GDEDLO C[N@H+](CCC#N)C[C@@H](O)CN(c1nccs1)S(=O)(=O)c1ccccc1 ZINC000414110308 531431728 /nfs/dbraw/zinc/43/17/28/531431728.db2.gz OBMOWJQYLAAUMS-CQSZACIVSA-N 1 2 380.495 1.545 20 30 GDEDLO C[N@@H+](CCC#N)C[C@@H](O)CN(c1nccs1)S(=O)(=O)c1ccccc1 ZINC000414110308 531431730 /nfs/dbraw/zinc/43/17/30/531431730.db2.gz OBMOWJQYLAAUMS-CQSZACIVSA-N 1 2 380.495 1.545 20 30 GDEDLO N#Cc1cc(Br)cnc1NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000450327608 531492228 /nfs/dbraw/zinc/49/22/28/531492228.db2.gz DGCYAFJCRSEEDX-UHFFFAOYSA-N 1 2 392.301 2.072 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(O)c(OC)cc2Br)CC1 ZINC000491204686 531550760 /nfs/dbraw/zinc/55/07/60/531550760.db2.gz CFQJFHMXXZMMLQ-UHFFFAOYSA-N 1 2 398.301 1.583 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494735878 531621520 /nfs/dbraw/zinc/62/15/20/531621520.db2.gz PUXQXJZELDBGFA-LSDHHAIUSA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494735878 531621525 /nfs/dbraw/zinc/62/15/25/531621525.db2.gz PUXQXJZELDBGFA-LSDHHAIUSA-N 1 2 385.555 1.665 20 30 GDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494721493 531620624 /nfs/dbraw/zinc/62/06/24/531620624.db2.gz MGVBIJYZYBAEKP-RISCZKNCSA-N 1 2 384.889 1.552 20 30 GDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494721493 531620630 /nfs/dbraw/zinc/62/06/30/531620630.db2.gz MGVBIJYZYBAEKP-RISCZKNCSA-N 1 2 384.889 1.552 20 30 GDEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416465813 531628485 /nfs/dbraw/zinc/62/84/85/531628485.db2.gz NBYQTAIPYZQIKU-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccsc3C#N)c[nH+]2)CCO1 ZINC000593529831 531839500 /nfs/dbraw/zinc/83/95/00/531839500.db2.gz GHJARQDCCPYPBD-GFCCVEGCSA-N 1 2 378.479 1.718 20 30 GDEDLO N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000568509956 531909053 /nfs/dbraw/zinc/90/90/53/531909053.db2.gz JJYARJHWPKQBRR-SNVBAGLBSA-N 1 2 394.241 1.844 20 30 GDEDLO [O-]/C(NC[C@]1([NH+]2CCOCC2)CCSC1)=[NH+]/Cc1cn2ccsc2n1 ZINC000328659268 532090527 /nfs/dbraw/zinc/09/05/27/532090527.db2.gz SKXLKCGJRLRXEA-MRXNPFEDSA-N 1 2 381.527 1.607 20 30 GDEDLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc3nc(C)sc3c2)CC1 ZINC000330178913 532117682 /nfs/dbraw/zinc/11/76/82/532117682.db2.gz FAESGKPXRYPVND-UHFFFAOYSA-N 1 2 382.511 1.934 20 30 GDEDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)CC2 ZINC000376850919 532231603 /nfs/dbraw/zinc/23/16/03/532231603.db2.gz VJKDPBZVVVODLX-UHFFFAOYSA-N 1 2 388.225 1.807 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000824999949 607639734 /nfs/dbraw/zinc/63/97/34/607639734.db2.gz LDSGIGIXZUDJCO-AWEZNQCLSA-N 1 2 394.870 1.872 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000824999949 607639735 /nfs/dbraw/zinc/63/97/35/607639735.db2.gz LDSGIGIXZUDJCO-AWEZNQCLSA-N 1 2 394.870 1.872 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000820789056 606782412 /nfs/dbraw/zinc/78/24/12/606782412.db2.gz UQKSNBPXIONHJG-CQSZACIVSA-N 1 2 391.439 1.118 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000820789056 606782413 /nfs/dbraw/zinc/78/24/13/606782413.db2.gz UQKSNBPXIONHJG-CQSZACIVSA-N 1 2 391.439 1.118 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[nH]n2)CC1 ZINC000819750889 606918276 /nfs/dbraw/zinc/91/82/76/606918276.db2.gz JWGLVCFMNNQXAU-UHFFFAOYSA-N 1 2 395.389 1.310 20 30 GDEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386470 608070028 /nfs/dbraw/zinc/07/00/28/608070028.db2.gz GPLOEAYGIZHRCM-MOPGFXCFSA-N 1 2 376.420 1.845 20 30 GDEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386470 608070029 /nfs/dbraw/zinc/07/00/29/608070029.db2.gz GPLOEAYGIZHRCM-MOPGFXCFSA-N 1 2 376.420 1.845 20 30 GDEDLO Cn1cc(C=NNC2=[NH+][C@H]3CCCC[C@H]3N2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360122 609306717 /nfs/dbraw/zinc/30/67/17/609306717.db2.gz YFBDGNCKTDPZPO-IYBDPMFKSA-N 1 2 390.455 1.461 20 30 GDEDLO CN(CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000329315365 645306062 /nfs/dbraw/zinc/30/60/62/645306062.db2.gz QJYADLJWCGJKDZ-CQSZACIVSA-N 1 2 386.543 1.836 20 30 GDEDLO N#Cc1cc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)ccc1Br ZINC000907142674 659680097 /nfs/dbraw/zinc/68/00/97/659680097.db2.gz RJARFXPEFRWOFV-UHFFFAOYSA-N 1 2 388.287 1.321 20 30 GDEDLO N#Cc1cc(S(=O)(=O)NCC[N@H+]2CCCOCC2)ccc1Br ZINC000907142674 659680099 /nfs/dbraw/zinc/68/00/99/659680099.db2.gz RJARFXPEFRWOFV-UHFFFAOYSA-N 1 2 388.287 1.321 20 30 GDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)CC1 ZINC000921437916 660300487 /nfs/dbraw/zinc/30/04/87/660300487.db2.gz KGEKNDWPIUWTMY-UHFFFAOYSA-N 1 2 390.914 1.872 20 30 GDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000921440136 660300693 /nfs/dbraw/zinc/30/06/93/660300693.db2.gz SIAJARKDTFMONX-UHFFFAOYSA-N 1 2 375.263 1.964 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000733149068 654501007 /nfs/dbraw/zinc/50/10/07/654501007.db2.gz XPQODSDFBZTETA-ALCCZGGFSA-N 1 2 394.269 1.339 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000733149068 654501010 /nfs/dbraw/zinc/50/10/10/654501010.db2.gz XPQODSDFBZTETA-ALCCZGGFSA-N 1 2 394.269 1.339 20 30 GDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000772799428 654572157 /nfs/dbraw/zinc/57/21/57/654572157.db2.gz QICWQFABZNHMKA-CVEARBPZSA-N 1 2 390.281 1.768 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000772799428 654572158 /nfs/dbraw/zinc/57/21/58/654572158.db2.gz QICWQFABZNHMKA-CVEARBPZSA-N 1 2 390.281 1.768 20 30 GDEDLO O=C1Nc2cc(O)c(Br)cc2C1=NNCCC[NH+]1CCOCC1 ZINC000841636777 655351681 /nfs/dbraw/zinc/35/16/81/655351681.db2.gz MSTNUANOZQMIFG-UHFFFAOYSA-N 1 2 383.246 1.123 20 30 GDEDLO C#CC[NH+]1CCC(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000819329326 655390072 /nfs/dbraw/zinc/39/00/72/655390072.db2.gz VAFOKHKZXGYPGH-UHFFFAOYSA-N 1 2 382.913 1.965 20 30 GDEDLO Cc1c(Br)c(C)n(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(=O)c1C#N ZINC000863911224 655883432 /nfs/dbraw/zinc/88/34/32/655883432.db2.gz SSZRVRQWZMMURF-GHMZBOCLSA-N 1 2 390.241 1.707 20 30 GDEDLO N#Cc1cnc(Nc2cnn(CC[NH+]3CCOCC3)c2)c(Br)c1 ZINC000881915732 656991985 /nfs/dbraw/zinc/99/19/85/656991985.db2.gz GFKRBYKIANMAGR-UHFFFAOYSA-N 1 2 377.246 1.988 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000884054394 657322386 /nfs/dbraw/zinc/32/23/86/657322386.db2.gz CTJZIXYNRVRBHW-AWEZNQCLSA-N 1 2 385.258 1.733 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(Br)c(OC)cc1OC ZINC000884315530 657345121 /nfs/dbraw/zinc/34/51/21/657345121.db2.gz RLCVFLXGXPKGFL-JTQLQIEISA-N 1 2 387.230 1.851 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000891605530 658255019 /nfs/dbraw/zinc/25/50/19/658255019.db2.gz GWYQOHGJKCZDRN-CQSZACIVSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000891605530 658255023 /nfs/dbraw/zinc/25/50/23/658255023.db2.gz GWYQOHGJKCZDRN-CQSZACIVSA-N 1 2 378.270 1.910 20 30 GDEDLO C[C@H](NC(=O)COc1cccc(Br)c1C#N)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896533298 658784646 /nfs/dbraw/zinc/78/46/46/658784646.db2.gz HQCJHZVDYHCLPL-WFASDCNBSA-N 1 2 395.301 1.450 20 30 GDEDLO C[C@H](NC(=O)COc1cccc(Br)c1C#N)[C@@H]1CN(C)CC[N@H+]1C ZINC000896533298 658784648 /nfs/dbraw/zinc/78/46/48/658784648.db2.gz HQCJHZVDYHCLPL-WFASDCNBSA-N 1 2 395.301 1.450 20 30 GDEDLO C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896532664 658784887 /nfs/dbraw/zinc/78/48/87/658784887.db2.gz CQBFNPXXMYZXFL-LRDDRELGSA-N 1 2 395.301 1.450 20 30 GDEDLO C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896532664 658784895 /nfs/dbraw/zinc/78/48/95/658784895.db2.gz CQBFNPXXMYZXFL-LRDDRELGSA-N 1 2 395.301 1.450 20 30 GDEDLO Cn1cc([C@@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CC[NH2+]2)cn1 ZINC000913456951 660080476 /nfs/dbraw/zinc/08/04/76/660080476.db2.gz PFVXAMLNHWKQLC-INIZCTEOSA-N 1 2 388.269 1.770 20 30 GDEDLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(C4(C#N)CCC4)cn3)CC2)C1=O ZINC001164639212 719274016 /nfs/dbraw/zinc/27/40/16/719274016.db2.gz KIRWDZYPFMJDBL-UHFFFAOYSA-N 1 2 397.523 1.786 20 30 GDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C4(C#N)CCC4)cn3)CC2)C1=O ZINC001164639212 719274021 /nfs/dbraw/zinc/27/40/21/719274021.db2.gz KIRWDZYPFMJDBL-UHFFFAOYSA-N 1 2 397.523 1.786 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2c(cc1C#N)CCC2 ZINC001164707442 719868438 /nfs/dbraw/zinc/86/84/38/719868438.db2.gz SPCORICBZJZLEM-UWJYYQICSA-N 1 2 384.480 1.675 20 30 GDEDLO Cc1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)ccc1C#N ZINC001164830232 720462845 /nfs/dbraw/zinc/46/28/45/720462845.db2.gz JQQIBNNFWHKMDD-GOSISDBHSA-N 1 2 396.495 1.448 20 30 GDEDLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1C#N ZINC001164912325 721779093 /nfs/dbraw/zinc/77/90/93/721779093.db2.gz KJLFCLCNHOHVOC-NRFANRHFSA-N 1 2 379.464 1.765 20 30 GDEDLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1C#N ZINC001164912325 721779094 /nfs/dbraw/zinc/77/90/94/721779094.db2.gz KJLFCLCNHOHVOC-NRFANRHFSA-N 1 2 379.464 1.765 20 30 GDEDLO N#CCc1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164917023 721789852 /nfs/dbraw/zinc/78/98/52/721789852.db2.gz VYFFHIBILVRQBD-NRFANRHFSA-N 1 2 379.464 1.650 20 30 GDEDLO N#CCc1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164917023 721789854 /nfs/dbraw/zinc/78/98/54/721789854.db2.gz VYFFHIBILVRQBD-NRFANRHFSA-N 1 2 379.464 1.650 20 30 GDEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573292370 946932772 /nfs/dbraw/zinc/93/27/72/946932772.db2.gz UXNIMJMYUMMKNQ-SNVBAGLBSA-N 1 2 380.250 1.298 20 30 GDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573294544 946992148 /nfs/dbraw/zinc/99/21/48/946992148.db2.gz HIOVVDAXNMMLFJ-ROUUACIJSA-N 1 2 382.468 1.492 20 30 GDEDLO C[C@H]1[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@@H+]1Cc1ccccc1C#N ZINC001575883170 949803746 /nfs/dbraw/zinc/80/37/46/949803746.db2.gz CWWQGXFFGDDVRK-SUMWQHHRSA-N 1 2 390.451 1.849 20 30 GDEDLO C[C@H]1[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@H+]1Cc1ccccc1C#N ZINC001575883170 949803769 /nfs/dbraw/zinc/80/37/69/949803769.db2.gz CWWQGXFFGDDVRK-SUMWQHHRSA-N 1 2 390.451 1.849 20 30 GDEDLO N#Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571121354 952518716 /nfs/dbraw/zinc/51/87/16/952518716.db2.gz ZBWQZSHYBJQRTK-OAHLLOKOSA-N 1 2 376.424 1.461 20 30 GDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571121354 952518719 /nfs/dbraw/zinc/51/87/19/952518719.db2.gz ZBWQZSHYBJQRTK-OAHLLOKOSA-N 1 2 376.424 1.461 20 30 GDEDLO N#CCNC(=O)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000177454146 530703174 /nfs/dbraw/zinc/70/31/74/530703174.db2.gz NZSOSNZTKPQLLH-UHFFFAOYSA-N 1 2 399.232 1.774 20 30 GDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000057842161 530728746 /nfs/dbraw/zinc/72/87/46/530728746.db2.gz FYXPGXXWTLPSDZ-UHFFFAOYSA-N 1 2 388.237 1.394 20 30 GDEDLO C=CCNC(=O)NC(=O)C[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000057842161 530728748 /nfs/dbraw/zinc/72/87/48/530728748.db2.gz FYXPGXXWTLPSDZ-UHFFFAOYSA-N 1 2 388.237 1.394 20 30 GDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000104064661 530836803 /nfs/dbraw/zinc/83/68/03/530836803.db2.gz AWOVPFJYVQQHAU-LLVKDONJSA-N 1 2 384.889 1.539 20 30 GDEDLO C[C@H](C(=O)NC(N)=O)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120992527 530948345 /nfs/dbraw/zinc/94/83/45/530948345.db2.gz FYJNTIKDXFZWHT-RISCZKNCSA-N 1 2 394.273 1.215 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)Nc1ccccc1Br ZINC000133062422 531086998 /nfs/dbraw/zinc/08/69/98/531086998.db2.gz UEDQYRXYIPEKGY-UHFFFAOYSA-N 1 2 395.301 1.935 20 30 GDEDLO CN(CC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)S(=O)(=O)c1cccs1 ZINC000152449338 531151620 /nfs/dbraw/zinc/15/16/20/531151620.db2.gz HHYSZSZHPNWMKN-HNNXBMFYSA-N 1 2 378.479 1.056 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)ccc2Br)CC1 ZINC000152703581 531155577 /nfs/dbraw/zinc/15/55/77/531155577.db2.gz WQAVBBFCXLIISZ-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)ccc2Br)CC1 ZINC000152703581 531155581 /nfs/dbraw/zinc/15/55/81/531155581.db2.gz WQAVBBFCXLIISZ-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO CNS(=O)(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000264621134 531193940 /nfs/dbraw/zinc/19/39/40/531193940.db2.gz LCUQSIWZCXVPKY-LLVKDONJSA-N 1 2 384.889 1.552 20 30 GDEDLO CS(=O)(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000158051063 531207528 /nfs/dbraw/zinc/20/75/28/531207528.db2.gz CRHCOTIXVQTJPT-CQSZACIVSA-N 1 2 376.400 1.950 20 30 GDEDLO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000158051063 531207529 /nfs/dbraw/zinc/20/75/29/531207529.db2.gz CRHCOTIXVQTJPT-CQSZACIVSA-N 1 2 376.400 1.950 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(Br)c2OC)CC1 ZINC000481892668 531390740 /nfs/dbraw/zinc/39/07/40/531390740.db2.gz KOZXIQVFCMDWRL-UHFFFAOYSA-N 1 2 382.302 1.878 20 30 GDEDLO N#Cc1cccc(CS(=O)(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000361668394 531451337 /nfs/dbraw/zinc/45/13/37/531451337.db2.gz XXOLEZPYGCUUAG-QGZVFWFLSA-N 1 2 381.523 1.186 20 30 GDEDLO Cc1cn2c([nH+]1)CN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)CC2 ZINC000590239955 531684269 /nfs/dbraw/zinc/68/42/69/531684269.db2.gz IRKSCRHSJXKNNJ-UHFFFAOYSA-N 1 2 388.225 1.807 20 30 GDEDLO C[C@H](NS(=O)(=O)c1cc(Br)ccc1C#N)[C@@H]1C[N@H+](C)CCO1 ZINC000591327002 531714396 /nfs/dbraw/zinc/71/43/96/531714396.db2.gz WKXGHWAANHKTMP-GWCFXTLKSA-N 1 2 388.287 1.318 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148772 531766650 /nfs/dbraw/zinc/76/66/50/531766650.db2.gz BNFAADMNFYBGLE-NHYWBVRUSA-N 1 2 399.232 1.969 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148772 531766660 /nfs/dbraw/zinc/76/66/60/531766660.db2.gz BNFAADMNFYBGLE-NHYWBVRUSA-N 1 2 399.232 1.969 20 30 GDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000592149249 531766889 /nfs/dbraw/zinc/76/68/89/531766889.db2.gz LJWJAEHLWQIHTB-CQSZACIVSA-N 1 2 385.205 1.580 20 30 GDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000592149249 531766900 /nfs/dbraw/zinc/76/69/00/531766900.db2.gz LJWJAEHLWQIHTB-CQSZACIVSA-N 1 2 385.205 1.580 20 30 GDEDLO CC#CC[NH2+]Cc1cn(Cc2nnnn2-c2ccccc2Br)nn1 ZINC000641026787 531773113 /nfs/dbraw/zinc/77/31/13/531773113.db2.gz FBQZRQJVLFVREN-UHFFFAOYSA-N 1 2 387.245 1.178 20 30 GDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000298277841 531871190 /nfs/dbraw/zinc/87/11/90/531871190.db2.gz IJQUGYLQPGSTSG-AWEZNQCLSA-N 1 2 384.889 1.554 20 30 GDEDLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000298277841 531871201 /nfs/dbraw/zinc/87/12/01/531871201.db2.gz IJQUGYLQPGSTSG-AWEZNQCLSA-N 1 2 384.889 1.554 20 30 GDEDLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000283574389 531875998 /nfs/dbraw/zinc/87/59/98/531875998.db2.gz WNKYTDTYLQDJJP-GJZGRUSLSA-N 1 2 390.241 1.600 20 30 GDEDLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C#N)c1cccc(Br)c1 ZINC000283574389 531876002 /nfs/dbraw/zinc/87/60/02/531876002.db2.gz WNKYTDTYLQDJJP-GJZGRUSLSA-N 1 2 390.241 1.600 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1ccc(Br)cn1 ZINC000601023311 532057197 /nfs/dbraw/zinc/05/71/97/532057197.db2.gz CISVHPBAIMAZSA-UHFFFAOYSA-N 1 2 397.273 1.297 20 30 GDEDLO Cn1cc[nH+]c1[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCN1C ZINC000332242746 532173995 /nfs/dbraw/zinc/17/39/95/532173995.db2.gz ARNLGNRHPNHJDN-OAHLLOKOSA-N 1 2 379.873 1.623 20 30 GDEDLO N#Cc1c(Br)cccc1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000276289371 532326080 /nfs/dbraw/zinc/32/60/80/532326080.db2.gz PZIFXUHWYGXQNO-UHFFFAOYSA-N 1 2 393.285 1.302 20 30 GDEDLO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000737032395 598985741 /nfs/dbraw/zinc/98/57/41/598985741.db2.gz KBSVMNDMJGKSMM-MRXNPFEDSA-N 1 2 385.472 1.420 20 30 GDEDLO CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735693141 598250225 /nfs/dbraw/zinc/25/02/25/598250225.db2.gz WXZNVDUPSBPSOA-FQEVSTJZSA-N 1 2 397.483 1.764 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000735420694 598271887 /nfs/dbraw/zinc/27/18/87/598271887.db2.gz QEYSSWXBLZJNEL-HZPDHXFCSA-N 1 2 399.499 1.674 20 30 GDEDLO C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)CC1 ZINC000830950791 601300797 /nfs/dbraw/zinc/30/07/97/601300797.db2.gz QKEFWQFZLOQPIS-FQEVSTJZSA-N 1 2 392.459 1.861 20 30 GDEDLO N#Cc1ccc(C[NH+]2CCC([NH2+]CCCN3CCN(C(=O)[O-])CC3)CC2)cc1 ZINC000833972033 606007990 /nfs/dbraw/zinc/00/79/90/606007990.db2.gz SAIBQFXCJPDMAI-UHFFFAOYSA-N 1 2 385.512 1.798 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000820788776 606779941 /nfs/dbraw/zinc/77/99/41/606779941.db2.gz NVCOKGCSOJPGPC-CQSZACIVSA-N 1 2 394.870 1.872 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000820788776 606779943 /nfs/dbraw/zinc/77/99/43/606779943.db2.gz NVCOKGCSOJPGPC-CQSZACIVSA-N 1 2 394.870 1.872 20 30 GDEDLO COc1cc(-c2nn[nH]n2)ccc1OCCO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000826176117 607810957 /nfs/dbraw/zinc/81/09/57/607810957.db2.gz BSFSLKVAIIHECJ-UHFFFAOYSA-N 1 2 396.407 1.526 20 30 GDEDLO CCSc1nnc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000328977366 645292033 /nfs/dbraw/zinc/29/20/33/645292033.db2.gz BZIAODNDPZOYDM-AWEZNQCLSA-N 1 2 389.572 2.184 20 30 GDEDLO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000330207396 645348298 /nfs/dbraw/zinc/34/82/98/645348298.db2.gz AFOLTEPYMTYDIL-FRRDWIJNSA-N 1 2 377.532 1.650 20 30 GDEDLO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000330207396 645348301 /nfs/dbraw/zinc/34/83/01/645348301.db2.gz AFOLTEPYMTYDIL-FRRDWIJNSA-N 1 2 377.532 1.650 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)s1 ZINC000369178872 645641365 /nfs/dbraw/zinc/64/13/65/645641365.db2.gz NYQLWZDMWZVFIN-LSDHHAIUSA-N 1 2 377.491 1.533 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)s1 ZINC000369178872 645641368 /nfs/dbraw/zinc/64/13/68/645641368.db2.gz NYQLWZDMWZVFIN-LSDHHAIUSA-N 1 2 377.491 1.533 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)s1 ZINC000369178869 645641383 /nfs/dbraw/zinc/64/13/83/645641383.db2.gz NYQLWZDMWZVFIN-CABCVRRESA-N 1 2 377.491 1.533 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)s1 ZINC000369178869 645641388 /nfs/dbraw/zinc/64/13/88/645641388.db2.gz NYQLWZDMWZVFIN-CABCVRRESA-N 1 2 377.491 1.533 20 30 GDEDLO N#CCC(=O)N1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000574336728 651534214 /nfs/dbraw/zinc/53/42/14/651534214.db2.gz ITQWXLBWXVVRKD-AWEZNQCLSA-N 1 2 382.258 1.247 20 30 GDEDLO N#Cc1ccc(OCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000590677641 652139480 /nfs/dbraw/zinc/13/94/80/652139480.db2.gz OYXODXBPTVSPPZ-CQSZACIVSA-N 1 2 394.269 1.633 20 30 GDEDLO C=C(Br)CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000774867594 654643828 /nfs/dbraw/zinc/64/38/28/654643828.db2.gz YTOWKUGBEJUHPE-HNNXBMFYSA-N 1 2 396.285 1.028 20 30 GDEDLO C=C(Br)CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000774867594 654643831 /nfs/dbraw/zinc/64/38/31/654643831.db2.gz YTOWKUGBEJUHPE-HNNXBMFYSA-N 1 2 396.285 1.028 20 30 GDEDLO NC(=[NH+]OCC(=O)N1CCC2(CC1)OCCO2)c1ccc(Br)cc1 ZINC000782949887 654849384 /nfs/dbraw/zinc/84/93/84/654849384.db2.gz PTGBXKSLGQQMJR-UHFFFAOYSA-N 1 2 398.257 1.452 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)O[C@@H](C)C[NH+]2CCOCC2)s1 ZINC000873494016 656393104 /nfs/dbraw/zinc/39/31/04/656393104.db2.gz DLNUIPZWPMYXOJ-ZDUSSCGKSA-N 1 2 388.511 1.019 20 30 GDEDLO C=C(Br)CNC(=O)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000875519546 656544941 /nfs/dbraw/zinc/54/49/41/656544941.db2.gz HSXWLCKFGWZTMC-CQSZACIVSA-N 1 2 396.285 1.411 20 30 GDEDLO C=C(Br)CNC(=O)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000875519546 656544945 /nfs/dbraw/zinc/54/49/45/656544945.db2.gz HSXWLCKFGWZTMC-CQSZACIVSA-N 1 2 396.285 1.411 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)C1 ZINC000923560922 656571012 /nfs/dbraw/zinc/57/10/12/656571012.db2.gz NETOAQMDIJFQHQ-SNVBAGLBSA-N 1 2 375.903 1.185 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)C1 ZINC000923560922 656571016 /nfs/dbraw/zinc/57/10/16/656571016.db2.gz NETOAQMDIJFQHQ-SNVBAGLBSA-N 1 2 375.903 1.185 20 30 GDEDLO N#Cc1nc(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1Br ZINC000883111731 657272228 /nfs/dbraw/zinc/27/22/28/657272228.db2.gz OFJLUQRSCFOQKY-PHIMTYICSA-N 1 2 380.246 1.700 20 30 GDEDLO N#Cc1nc(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1Br ZINC000883111731 657272235 /nfs/dbraw/zinc/27/22/35/657272235.db2.gz OFJLUQRSCFOQKY-PHIMTYICSA-N 1 2 380.246 1.700 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)Oc1ccccc1Br ZINC000884156248 657330932 /nfs/dbraw/zinc/33/09/32/657330932.db2.gz WTCGRJFVVGPWEW-AAEUAGOBSA-N 1 2 385.258 1.779 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)cc(C#N)n1 ZINC001164698848 719850313 /nfs/dbraw/zinc/85/03/13/719850313.db2.gz DXEUUTMXSXYECU-CRAIPNDOSA-N 1 2 378.860 1.839 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C#N)ccc1[N+](=O)[O-] ZINC001164703195 719853832 /nfs/dbraw/zinc/85/38/32/719853832.db2.gz PLHYDNMKMNONLK-KBXCAEBGSA-N 1 2 389.412 1.094 20 30 GDEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573292083 946928631 /nfs/dbraw/zinc/92/86/31/946928631.db2.gz ONJHCQBBCUZZTL-UHFFFAOYSA-N 1 2 382.266 1.545 20 30 GDEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573292083 946928636 /nfs/dbraw/zinc/92/86/36/946928636.db2.gz ONJHCQBBCUZZTL-UHFFFAOYSA-N 1 2 382.266 1.545 20 30 GDEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001573292413 946934244 /nfs/dbraw/zinc/93/42/44/946934244.db2.gz VTNIRMUIKDMVHI-UHFFFAOYSA-N 1 2 392.261 1.251 20 30 GDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573292881 946942903 /nfs/dbraw/zinc/94/29/03/946942903.db2.gz GDVCAEHWTDUGJC-MRXNPFEDSA-N 1 2 384.484 1.786 20 30 GDEDLO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573292881 946942908 /nfs/dbraw/zinc/94/29/08/946942908.db2.gz GDVCAEHWTDUGJC-MRXNPFEDSA-N 1 2 384.484 1.786 20 30 GDEDLO C=C(C)CNC(=O)c1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1Cl ZINC000161052090 530556556 /nfs/dbraw/zinc/55/65/56/530556556.db2.gz BCSDLSGSXXVZPN-UHFFFAOYSA-N 1 2 385.917 1.972 20 30 GDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000065971565 530756978 /nfs/dbraw/zinc/75/69/78/530756978.db2.gz NHFOQVSMZJFDAB-UHFFFAOYSA-N 1 2 392.706 1.827 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](Cc3cc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000091815380 530810242 /nfs/dbraw/zinc/81/02/42/530810242.db2.gz COGJJNPVNLSWOR-KBPBESRZSA-N 1 2 384.527 1.091 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1ccccc1Br ZINC000120847375 530946203 /nfs/dbraw/zinc/94/62/03/530946203.db2.gz SBLPIBBDIRRDDU-UHFFFAOYSA-N 1 2 396.285 1.902 20 30 GDEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000120987999 530948569 /nfs/dbraw/zinc/94/85/69/530948569.db2.gz AGZPCRWTGWOYJF-INIZCTEOSA-N 1 2 377.286 1.910 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000279045393 531409572 /nfs/dbraw/zinc/40/95/72/531409572.db2.gz OTOWZEBOOWEUEP-ZIAGYGMSSA-N 1 2 379.913 1.789 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC1 ZINC000279045393 531409584 /nfs/dbraw/zinc/40/95/84/531409584.db2.gz OTOWZEBOOWEUEP-ZIAGYGMSSA-N 1 2 379.913 1.789 20 30 GDEDLO Cc1ccc2c(ncc(C#N)c2N2CC[NH+](CC(N)=O)CC2)c1Br ZINC000280013189 531467278 /nfs/dbraw/zinc/46/72/78/531467278.db2.gz IZVSWLGODZQIAV-UHFFFAOYSA-N 1 2 388.269 1.785 20 30 GDEDLO C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000449846280 531479319 /nfs/dbraw/zinc/47/93/19/531479319.db2.gz XBADVGKOZAURPX-STQMWFEESA-N 1 2 396.285 1.925 20 30 GDEDLO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)C(C)C ZINC000451430224 531614921 /nfs/dbraw/zinc/61/49/21/531614921.db2.gz NFDXDDWUTOEGML-SJORKVTESA-N 1 2 392.587 1.429 20 30 GDEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365277191 531635180 /nfs/dbraw/zinc/63/51/80/531635180.db2.gz YUBQPALBQFEFQY-RISCZKNCSA-N 1 2 384.889 1.552 20 30 GDEDLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365277191 531635191 /nfs/dbraw/zinc/63/51/91/531635191.db2.gz YUBQPALBQFEFQY-RISCZKNCSA-N 1 2 384.889 1.552 20 30 GDEDLO CNC(=O)C[NH+]1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000281611589 531637244 /nfs/dbraw/zinc/63/72/44/531637244.db2.gz JEFPSVXJUIHKGP-UHFFFAOYSA-N 1 2 388.269 1.737 20 30 GDEDLO C=CCN1CC[C@@H]([NH+]2CCN(c3ncc(Br)c(OC)n3)CC2)C1=O ZINC000281919164 531678505 /nfs/dbraw/zinc/67/85/05/531678505.db2.gz HCFKRDCETBEYDW-CYBMUJFWSA-N 1 2 396.289 1.157 20 30 GDEDLO C=CCN1CC[C@H]([NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)C1=O ZINC000282035592 531694769 /nfs/dbraw/zinc/69/47/69/531694769.db2.gz QNGSOFFKZXSVFQ-INIZCTEOSA-N 1 2 392.297 1.994 20 30 GDEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000452098224 531761685 /nfs/dbraw/zinc/76/16/85/531761685.db2.gz AKTMWLLIAAHBGV-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000452098224 531761691 /nfs/dbraw/zinc/76/16/91/531761691.db2.gz AKTMWLLIAAHBGV-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000297462427 531793287 /nfs/dbraw/zinc/79/32/87/531793287.db2.gz WAXOMSDADMAHMP-INIZCTEOSA-N 1 2 385.555 1.911 20 30 GDEDLO N#Cc1ncc(NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1Cl ZINC000455781186 531880868 /nfs/dbraw/zinc/88/08/68/531880868.db2.gz IRZBBIWLUVOYLE-INIZCTEOSA-N 1 2 381.889 1.936 20 30 GDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cn3cc(Br)cn3)CC2)cc1 ZINC000298691714 531911197 /nfs/dbraw/zinc/91/11/97/531911197.db2.gz DDSSSIFFXXYTGZ-UHFFFAOYSA-N 1 2 388.269 1.862 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1[nH]nc(C2CC2)c1Br ZINC000299569589 532002345 /nfs/dbraw/zinc/00/23/45/532002345.db2.gz WTWAXTBGASHXTJ-UHFFFAOYSA-N 1 2 396.289 1.738 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccncc1Br ZINC000272632629 532108288 /nfs/dbraw/zinc/10/82/88/532108288.db2.gz BSCOEEZPZFHUBK-UHFFFAOYSA-N 1 2 382.262 1.924 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425380885 532136737 /nfs/dbraw/zinc/13/67/37/532136737.db2.gz GAEXWQANGIHIJM-UHFFFAOYSA-N 1 2 397.273 1.777 20 30 GDEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736309550 599099670 /nfs/dbraw/zinc/09/96/70/599099670.db2.gz QCCLNGVRLSRTMO-AEFFLSMTSA-N 1 2 391.435 1.864 20 30 GDEDLO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1CC2(CC1=O)CCOCC2 ZINC000819745910 606590654 /nfs/dbraw/zinc/59/06/54/606590654.db2.gz UOSZLXRZDZNHTP-UHFFFAOYSA-N 1 2 382.468 1.841 20 30 GDEDLO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CN1CC2(CC1=O)CCOCC2 ZINC000819745910 606590657 /nfs/dbraw/zinc/59/06/57/606590657.db2.gz UOSZLXRZDZNHTP-UHFFFAOYSA-N 1 2 382.468 1.841 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000824998938 608400287 /nfs/dbraw/zinc/40/02/87/608400287.db2.gz ALCSZKKUHCRJRQ-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000824998938 608400288 /nfs/dbraw/zinc/40/02/88/608400288.db2.gz ALCSZKKUHCRJRQ-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO N#Cc1ccnc(N2CC[NH+](Cc3cnc4ccc(-c5nn[nH]n5)cn34)CC2)c1 ZINC000826387556 608511597 /nfs/dbraw/zinc/51/15/97/608511597.db2.gz BNBCMVMSAYNLKK-UHFFFAOYSA-N 1 2 386.423 1.103 20 30 GDEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419707456 645927273 /nfs/dbraw/zinc/92/72/73/645927273.db2.gz KSFHDBXCOKRYKA-UHFFFAOYSA-N 1 2 395.257 1.050 20 30 GDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC)CC1 ZINC000801910260 654935557 /nfs/dbraw/zinc/93/55/57/654935557.db2.gz YOWWDMJAMCWMDK-UHFFFAOYSA-N 1 2 377.290 1.821 20 30 GDEDLO CCCC[C@H](ON=C(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000758133114 655052182 /nfs/dbraw/zinc/05/21/82/655052182.db2.gz LJAVFLATDRNSSX-INIZCTEOSA-N 1 2 375.535 1.583 20 30 GDEDLO C#CCC[NH+]1CCN(C(=O)c2csc(I)n2)CC1 ZINC000825077900 655483945 /nfs/dbraw/zinc/48/39/45/655483945.db2.gz LSMAFAAOXMGPDV-UHFFFAOYSA-N 1 2 375.235 1.529 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1cc(OC)c(OC)cc1Br ZINC000884100567 657325475 /nfs/dbraw/zinc/32/54/75/657325475.db2.gz YVBZSTGQMHKLAY-JTQLQIEISA-N 1 2 387.230 1.851 20 30 GDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(Cl)c(C#N)s1 ZINC001055363909 677680021 /nfs/dbraw/zinc/68/00/21/677680021.db2.gz JWOROZYXLJYOBF-JLLWLGSASA-N 1 2 376.873 1.870 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(C#N)c[nH]c2n1 ZINC001164701118 719857641 /nfs/dbraw/zinc/85/76/41/719857641.db2.gz JLOHGADNSAPUEH-FOIQADDNSA-N 1 2 383.452 1.667 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(OC)c(C#N)cc1F ZINC001164703002 719866063 /nfs/dbraw/zinc/86/60/63/719866063.db2.gz JNNNGUIPYHZGBP-LIRRHRJNSA-N 1 2 392.431 1.334 20 30 GDEDLO C=CCOc1cc(C)nc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164717611 720252972 /nfs/dbraw/zinc/25/29/72/720252972.db2.gz BTOMUHMCIAPRFT-HXUWFJFHSA-N 1 2 389.500 1.015 20 30 GDEDLO C=CCOc1cc(C)nc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1 ZINC001164717611 720252978 /nfs/dbraw/zinc/25/29/78/720252978.db2.gz BTOMUHMCIAPRFT-HXUWFJFHSA-N 1 2 389.500 1.015 20 30 GDEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccnc4C#N)CC3)C2=O)cs1 ZINC001164824085 720358942 /nfs/dbraw/zinc/35/89/42/720358942.db2.gz IPOLYQUMAPFBMP-UHFFFAOYSA-N 1 2 397.508 1.426 20 30 GDEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccnc4C#N)CC3)C2=O)cs1 ZINC001164824085 720358948 /nfs/dbraw/zinc/35/89/48/720358948.db2.gz IPOLYQUMAPFBMP-UHFFFAOYSA-N 1 2 397.508 1.426 20 30 GDEDLO N#CCc1cncc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164947101 721977587 /nfs/dbraw/zinc/97/75/87/721977587.db2.gz NVJMJKHRGGWOFY-UHFFFAOYSA-N 1 2 376.464 1.514 20 30 GDEDLO N#CCc1cncc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164947101 721977591 /nfs/dbraw/zinc/97/75/91/721977591.db2.gz NVJMJKHRGGWOFY-UHFFFAOYSA-N 1 2 376.464 1.514 20 30 GDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[nH]n2)[C@@H]1C ZINC001573285249 946772685 /nfs/dbraw/zinc/77/26/85/946772685.db2.gz GDYSIAILEILVMD-KMFMINBZSA-N 1 2 397.458 1.187 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[nH]n2)[C@@H]1C ZINC001573285249 946772691 /nfs/dbraw/zinc/77/26/91/946772691.db2.gz GDYSIAILEILVMD-KMFMINBZSA-N 1 2 397.458 1.187 20 30 GDEDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000068945068 530793478 /nfs/dbraw/zinc/79/34/78/530793478.db2.gz NQBVEPAGPHJPTK-UHFFFAOYSA-N 1 2 384.889 1.043 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2csc(Br)c2C)CC1 ZINC000185286665 530839416 /nfs/dbraw/zinc/83/94/16/530839416.db2.gz YLLXPMYBXKIAMG-UHFFFAOYSA-N 1 2 398.326 1.716 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2csc(Br)c2C)CC1 ZINC000185286665 530839417 /nfs/dbraw/zinc/83/94/17/530839417.db2.gz YLLXPMYBXKIAMG-UHFFFAOYSA-N 1 2 398.326 1.716 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000125779860 531010988 /nfs/dbraw/zinc/01/09/88/531010988.db2.gz WTNZPFVIGAAAQF-GWCFXTLKSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000125779860 531010991 /nfs/dbraw/zinc/01/09/91/531010991.db2.gz WTNZPFVIGAAAQF-GWCFXTLKSA-N 1 2 377.388 1.574 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000264106933 531168464 /nfs/dbraw/zinc/16/84/64/531168464.db2.gz ILOXGXYTBOLWAM-UHFFFAOYSA-N 1 2 383.539 1.904 20 30 GDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293012461 531395120 /nfs/dbraw/zinc/39/51/20/531395120.db2.gz KNOGMNKYVXEBAJ-NSHDSACASA-N 1 2 395.257 1.096 20 30 GDEDLO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148795 531767970 /nfs/dbraw/zinc/76/79/70/531767970.db2.gz CADNYGZFAMMDHC-OAHLLOKOSA-N 1 2 399.232 1.889 20 30 GDEDLO Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148795 531767979 /nfs/dbraw/zinc/76/79/79/531767979.db2.gz CADNYGZFAMMDHC-OAHLLOKOSA-N 1 2 399.232 1.889 20 30 GDEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000284112007 531930612 /nfs/dbraw/zinc/93/06/12/531930612.db2.gz TUABDTUPOSWVDZ-CYBMUJFWSA-N 1 2 385.917 1.753 20 30 GDEDLO N#Cc1ccc(C[NH+]2CCN(c3ncc(I)cn3)CC2)o1 ZINC000602733161 532082531 /nfs/dbraw/zinc/08/25/31/532082531.db2.gz JYLNOOSPSMWZDX-UHFFFAOYSA-N 1 2 395.204 1.868 20 30 GDEDLO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000287256711 532204833 /nfs/dbraw/zinc/20/48/33/532204833.db2.gz KQDZYDCKJWNMQU-LLVKDONJSA-N 1 2 387.303 1.326 20 30 GDEDLO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000287256711 532204836 /nfs/dbraw/zinc/20/48/36/532204836.db2.gz KQDZYDCKJWNMQU-LLVKDONJSA-N 1 2 387.303 1.326 20 30 GDEDLO N#Cc1cc(F)c(S(=O)(=O)N2CC[NH+](C3CC3)CC2)cc1Br ZINC000289075584 532315028 /nfs/dbraw/zinc/31/50/28/532315028.db2.gz HEKGLSSWHVFPCU-UHFFFAOYSA-N 1 2 388.262 1.929 20 30 GDEDLO C=CCCOCCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823899238 607940305 /nfs/dbraw/zinc/94/03/05/607940305.db2.gz RFZKBKMREWLVJZ-UHFFFAOYSA-N 1 2 385.472 1.287 20 30 GDEDLO N#CCC1CC[NH+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)CC1 ZINC000826380510 609431387 /nfs/dbraw/zinc/43/13/87/609431387.db2.gz CPRXCWZYZKNLHH-UHFFFAOYSA-N 1 2 391.439 1.617 20 30 GDEDLO C=CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C1=O ZINC000531693308 649995396 /nfs/dbraw/zinc/99/53/96/649995396.db2.gz IAAOEMAGNWVUAB-CQSZACIVSA-N 1 2 391.269 1.676 20 30 GDEDLO C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C1=O ZINC000531693308 649995402 /nfs/dbraw/zinc/99/54/02/649995402.db2.gz IAAOEMAGNWVUAB-CQSZACIVSA-N 1 2 391.269 1.676 20 30 GDEDLO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)CC1CCS(=O)(=O)CC1)C(C)C ZINC000553518385 650650168 /nfs/dbraw/zinc/65/01/68/650650168.db2.gz AJKJVRYGNIIYKF-QGZVFWFLSA-N 1 2 392.587 1.429 20 30 GDEDLO C#CC[NH+]1CCN(Cn2nc(SCC(=O)NCCC)sc2=S)CC1 ZINC000124345884 644706588 /nfs/dbraw/zinc/70/65/88/644706588.db2.gz UGTAJPBYNNKCMH-UHFFFAOYSA-N 1 2 385.584 1.501 20 30 GDEDLO Cc1cc(Br)cn2cc(CCNC(=O)Cn3cnc(C#N)n3)[nH+]c12 ZINC000569053543 650982425 /nfs/dbraw/zinc/98/24/25/650982425.db2.gz NKPOPFCKRFNCPC-UHFFFAOYSA-N 1 2 388.229 1.227 20 30 GDEDLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000330944042 645439757 /nfs/dbraw/zinc/43/97/57/645439757.db2.gz IEZWQRVULFIJHZ-NSHDSACASA-N 1 2 389.319 1.677 20 30 GDEDLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000330944042 645439763 /nfs/dbraw/zinc/43/97/63/645439763.db2.gz IEZWQRVULFIJHZ-NSHDSACASA-N 1 2 389.319 1.677 20 30 GDEDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000497763236 648037335 /nfs/dbraw/zinc/03/73/35/648037335.db2.gz MTTVNVLKDDBHDS-JTQLQIEISA-N 1 2 376.214 1.661 20 30 GDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000510687922 648336333 /nfs/dbraw/zinc/33/63/33/648336333.db2.gz TUYXCCKJBBCJJY-NEPJUHHUSA-N 1 2 384.889 1.539 20 30 GDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000510687922 648336339 /nfs/dbraw/zinc/33/63/39/648336339.db2.gz TUYXCCKJBBCJJY-NEPJUHHUSA-N 1 2 384.889 1.539 20 30 GDEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000594754505 652355566 /nfs/dbraw/zinc/35/55/66/652355566.db2.gz RFKMZECQQZVODY-CQSZACIVSA-N 1 2 378.523 1.606 20 30 GDEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000594754505 652355571 /nfs/dbraw/zinc/35/55/71/652355571.db2.gz RFKMZECQQZVODY-CQSZACIVSA-N 1 2 378.523 1.606 20 30 GDEDLO N#Cc1ccc(Cn2cc(CC[NH+]3CCOCC3)nn2)c(Br)c1 ZINC000603243059 652688452 /nfs/dbraw/zinc/68/84/52/652688452.db2.gz HXCWXGONESZJTR-UHFFFAOYSA-N 1 2 376.258 1.835 20 30 GDEDLO C=C(Br)CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000785445798 654917348 /nfs/dbraw/zinc/91/73/48/654917348.db2.gz YRZKHCJQLVMSTJ-UHFFFAOYSA-N 1 2 396.285 1.160 20 30 GDEDLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCC#N)cc2Br)CC1 ZINC000787594233 654968459 /nfs/dbraw/zinc/96/84/59/654968459.db2.gz JMTDAZHTUOYSKJ-UHFFFAOYSA-N 1 2 394.273 1.169 20 30 GDEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000804444210 654994637 /nfs/dbraw/zinc/99/46/37/654994637.db2.gz QLXFQQBEDWTLKD-UHFFFAOYSA-N 1 2 381.889 1.780 20 30 GDEDLO O=S(=O)(Nc1nncs1)c1ccc(N=NC2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000765580418 655243542 /nfs/dbraw/zinc/24/35/42/655243542.db2.gz ICPJSONQANGLCX-CQSZACIVSA-N 1 2 378.483 1.975 20 30 GDEDLO O=S(=O)(Nc1nncs1)c1ccc(N=NC2CC[N@H+]3CCC[C@H]23)cc1 ZINC000765580418 655243546 /nfs/dbraw/zinc/24/35/46/655243546.db2.gz ICPJSONQANGLCX-CQSZACIVSA-N 1 2 378.483 1.975 20 30 GDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000817028639 655340875 /nfs/dbraw/zinc/34/08/75/655340875.db2.gz MMGLNEGTUDHUBV-GJZGRUSLSA-N 1 2 376.254 1.378 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000817028639 655340876 /nfs/dbraw/zinc/34/08/76/655340876.db2.gz MMGLNEGTUDHUBV-GJZGRUSLSA-N 1 2 376.254 1.378 20 30 GDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(I)cc2O)CC1 ZINC000865085694 655911716 /nfs/dbraw/zinc/91/17/16/655911716.db2.gz PSMCFXPQNLMOFZ-UHFFFAOYSA-N 1 2 384.217 1.778 20 30 GDEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000865092484 655912058 /nfs/dbraw/zinc/91/20/58/655912058.db2.gz RGUCEQXKQCANKI-KBPBESRZSA-N 1 2 375.897 1.859 20 30 GDEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000865092484 655912059 /nfs/dbraw/zinc/91/20/59/655912059.db2.gz RGUCEQXKQCANKI-KBPBESRZSA-N 1 2 375.897 1.859 20 30 GDEDLO NS(=O)(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940141 657231485 /nfs/dbraw/zinc/23/14/85/657231485.db2.gz NQPKEAUSCQDIDD-OLQVQODUSA-N 1 2 376.269 1.378 20 30 GDEDLO NS(=O)(=O)CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940141 657231486 /nfs/dbraw/zinc/23/14/86/657231486.db2.gz NQPKEAUSCQDIDD-OLQVQODUSA-N 1 2 376.269 1.378 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000884335663 657348234 /nfs/dbraw/zinc/34/82/34/657348234.db2.gz ZCCLEPKVDHVWFJ-RYUDHWBXSA-N 1 2 387.205 1.585 20 30 GDEDLO Cn1nc(Br)nc1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000894554670 658579748 /nfs/dbraw/zinc/57/97/48/658579748.db2.gz AFWXFAMTRBLHOS-CYBMUJFWSA-N 1 2 389.257 1.340 20 30 GDEDLO N#Cc1sc2ccccc2c1S(=O)(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000907267381 659713882 /nfs/dbraw/zinc/71/38/82/659713882.db2.gz AUCMPICQIJMPPJ-ZDUSSCGKSA-N 1 2 376.507 1.441 20 30 GDEDLO N#Cc1sc2ccccc2c1S(=O)(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000907267381 659713890 /nfs/dbraw/zinc/71/38/90/659713890.db2.gz AUCMPICQIJMPPJ-ZDUSSCGKSA-N 1 2 376.507 1.441 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(Cl)c1C#N ZINC001164696986 719846252 /nfs/dbraw/zinc/84/62/52/719846252.db2.gz BKYXPUSANVIDLD-FZKQIMNGSA-N 1 2 378.860 1.839 20 30 GDEDLO C=CCOc1cc(C)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164706539 719855515 /nfs/dbraw/zinc/85/55/15/719855515.db2.gz YBDOARWMJHXAGX-JXFKEZNVSA-N 1 2 390.484 1.583 20 30 GDEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc(Cl)c3C#N)C2)C1 ZINC001164716796 720227310 /nfs/dbraw/zinc/22/73/10/720227310.db2.gz FDZIYKNPTHMUQR-SFHVURJKSA-N 1 2 377.876 1.271 20 30 GDEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc(Cl)c3C#N)C2)C1 ZINC001164716796 720227320 /nfs/dbraw/zinc/22/73/20/720227320.db2.gz FDZIYKNPTHMUQR-SFHVURJKSA-N 1 2 377.876 1.271 20 30 GDEDLO Cc1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)nc1C#N ZINC001164823383 720449858 /nfs/dbraw/zinc/44/98/58/720449858.db2.gz ISSLOTSXNFOBNG-KRWDZBQOSA-N 1 2 396.495 1.448 20 30 GDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571309778 946453969 /nfs/dbraw/zinc/45/39/69/946453969.db2.gz KLEGDOFPMXQYSJ-OAHLLOKOSA-N 1 2 392.423 1.079 20 30 GDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571309778 946453975 /nfs/dbraw/zinc/45/39/75/946453975.db2.gz KLEGDOFPMXQYSJ-OAHLLOKOSA-N 1 2 392.423 1.079 20 30 GDEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573292542 946935164 /nfs/dbraw/zinc/93/51/64/946935164.db2.gz XJZVEQALKVVYRR-LLVKDONJSA-N 1 2 380.250 1.298 20 30 GDEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573292542 946935178 /nfs/dbraw/zinc/93/51/78/946935178.db2.gz XJZVEQALKVVYRR-LLVKDONJSA-N 1 2 380.250 1.298 20 30 GDEDLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001574990593 950376152 /nfs/dbraw/zinc/37/61/52/950376152.db2.gz DEDPPBPSFKODDU-NSHDSACASA-N 1 2 382.403 1.456 20 30 GDEDLO C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001574990593 950376173 /nfs/dbraw/zinc/37/61/73/950376173.db2.gz DEDPPBPSFKODDU-NSHDSACASA-N 1 2 382.403 1.456 20 30 GDEDLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001575011742 950864848 /nfs/dbraw/zinc/86/48/48/950864848.db2.gz RWCVPABOIIGVDY-NSHDSACASA-N 1 2 382.403 1.456 20 30 GDEDLO C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001575011742 950864861 /nfs/dbraw/zinc/86/48/61/950864861.db2.gz RWCVPABOIIGVDY-NSHDSACASA-N 1 2 382.403 1.456 20 30 GDEDLO C=CCNC(=O)CN1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000023264842 530574849 /nfs/dbraw/zinc/57/48/49/530574849.db2.gz GKZDXQVPPMDDQX-UHFFFAOYSA-N 1 2 382.302 1.748 20 30 GDEDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000057842574 530728483 /nfs/dbraw/zinc/72/84/83/530728483.db2.gz XGOGQWFKCGBPLV-NSHDSACASA-N 1 2 378.479 1.899 20 30 GDEDLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000057842574 530728487 /nfs/dbraw/zinc/72/84/87/530728487.db2.gz XGOGQWFKCGBPLV-NSHDSACASA-N 1 2 378.479 1.899 20 30 GDEDLO Cn1cc(Br)c(NC(=O)N(CCC#N)CC[NH+]2CCOCC2)n1 ZINC000603043649 531091157 /nfs/dbraw/zinc/09/11/57/531091157.db2.gz MTDSMODFFWIYSS-UHFFFAOYSA-N 1 2 385.266 1.262 20 30 GDEDLO C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(C#N)s3)c[nH+]2)CCO1 ZINC000435431548 531262323 /nfs/dbraw/zinc/26/23/23/531262323.db2.gz DTQOKIQQLSEBDH-LBPRGKRZSA-N 1 2 378.479 1.718 20 30 GDEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000409478822 531252828 /nfs/dbraw/zinc/25/28/28/531252828.db2.gz OBRYQGMZJZYTLM-JYJNAYRXSA-N 1 2 384.889 1.144 20 30 GDEDLO C[N@H+]1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000409478822 531252833 /nfs/dbraw/zinc/25/28/33/531252833.db2.gz OBRYQGMZJZYTLM-JYJNAYRXSA-N 1 2 384.889 1.144 20 30 GDEDLO C=CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000291862106 531318947 /nfs/dbraw/zinc/31/89/47/531318947.db2.gz KBBFBYCVRPFCHX-UHFFFAOYSA-N 1 2 387.527 1.331 20 30 GDEDLO N#CC1(NC(=O)C[NH+]2CCN(c3ccc(Br)cn3)CC2)CCC1 ZINC000527127892 531315582 /nfs/dbraw/zinc/31/55/82/531315582.db2.gz RTFKVPUPPCYQII-UHFFFAOYSA-N 1 2 378.274 1.529 20 30 GDEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1cnc2c(F)cc(Br)cc2c1=O ZINC000414149237 531432366 /nfs/dbraw/zinc/43/23/66/531432366.db2.gz NWQLMANGMMDURO-LLVKDONJSA-N 1 2 383.221 1.504 20 30 GDEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1cnc2c(F)cc(Br)cc2c1=O ZINC000414149237 531432370 /nfs/dbraw/zinc/43/23/70/531432370.db2.gz NWQLMANGMMDURO-LLVKDONJSA-N 1 2 383.221 1.504 20 30 GDEDLO C[NH+](C)Cc1nc(C(C)(C)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)no1 ZINC000556937024 531505848 /nfs/dbraw/zinc/50/58/48/531505848.db2.gz GUVJRJSZOMZFPU-UHFFFAOYSA-N 1 2 383.861 1.870 20 30 GDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000550781032 531527289 /nfs/dbraw/zinc/52/72/89/531527289.db2.gz QAYSDFBYKHDCJY-LLVKDONJSA-N 1 2 395.257 1.096 20 30 GDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000550781032 531527299 /nfs/dbraw/zinc/52/72/99/531527299.db2.gz QAYSDFBYKHDCJY-LLVKDONJSA-N 1 2 395.257 1.096 20 30 GDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(C)(C)CO ZINC000295868049 531632657 /nfs/dbraw/zinc/63/26/57/531632657.db2.gz YNLHPCXTVKZCBR-CQSZACIVSA-N 1 2 382.873 1.983 20 30 GDEDLO N#Cc1cc(Br)cnc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000297276248 531776727 /nfs/dbraw/zinc/77/67/27/531776727.db2.gz XBMGBFYTYIYENN-UHFFFAOYSA-N 1 2 377.246 1.988 20 30 GDEDLO N#Cc1ncc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1Cl ZINC000455781188 531880963 /nfs/dbraw/zinc/88/09/63/531880963.db2.gz IRZBBIWLUVOYLE-MRXNPFEDSA-N 1 2 381.889 1.936 20 30 GDEDLO CC(=O)Nc1ncc(S(=O)(=O)N2CCN(c3c[nH+]ccc3C)CC2)s1 ZINC000329188185 532098070 /nfs/dbraw/zinc/09/80/70/532098070.db2.gz BLTONPJZEAVUCV-UHFFFAOYSA-N 1 2 381.483 1.965 20 30 GDEDLO CC(C)NC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000286668263 532168011 /nfs/dbraw/zinc/16/80/11/532168011.db2.gz AGJNDUIFSMSIQX-UHFFFAOYSA-N 1 2 379.302 1.963 20 30 GDEDLO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1scnc1C(=O)OC)C(C)C ZINC000275598569 532301833 /nfs/dbraw/zinc/30/18/33/532301833.db2.gz FPVXLRHNNZWKEK-ZDUSSCGKSA-N 1 2 387.527 1.907 20 30 GDEDLO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735526427 598252752 /nfs/dbraw/zinc/25/27/52/598252752.db2.gz WWGBKWGIPUDYIG-MGPUTAFESA-N 1 2 396.499 1.432 20 30 GDEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736816663 598616230 /nfs/dbraw/zinc/61/62/30/598616230.db2.gz MORAKLMXULOTKW-KRWDZBQOSA-N 1 2 387.403 1.502 20 30 GDEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736816663 598616231 /nfs/dbraw/zinc/61/62/31/598616231.db2.gz MORAKLMXULOTKW-KRWDZBQOSA-N 1 2 387.403 1.502 20 30 GDEDLO C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)CC1 ZINC000830950792 601301142 /nfs/dbraw/zinc/30/11/42/601301142.db2.gz QKEFWQFZLOQPIS-HXUWFJFHSA-N 1 2 392.459 1.861 20 30 GDEDLO N#Cc1ccc(C[NH+]2CCN(C(=O)Cc3cccc(-c4nn[nH]n4)c3)CC2)cc1 ZINC000822825672 606520539 /nfs/dbraw/zinc/52/05/39/606520539.db2.gz LABHHYORNUYSAN-UHFFFAOYSA-N 1 2 387.447 1.625 20 30 GDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000820803624 606785683 /nfs/dbraw/zinc/78/56/83/606785683.db2.gz DHPHMINSVXBPOR-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000820803624 606785685 /nfs/dbraw/zinc/78/56/85/606785685.db2.gz DHPHMINSVXBPOR-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO N#Cc1cccc(C[N@H+]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H](O)C2)c1 ZINC000826386635 607958843 /nfs/dbraw/zinc/95/88/43/607958843.db2.gz MPVQEYKEJOFWJJ-HXUWFJFHSA-N 1 2 389.463 1.417 20 30 GDEDLO N#Cc1cccc(C[N@@H+]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H](O)C2)c1 ZINC000826386635 607958844 /nfs/dbraw/zinc/95/88/44/607958844.db2.gz MPVQEYKEJOFWJJ-HXUWFJFHSA-N 1 2 389.463 1.417 20 30 GDEDLO CCS(=O)(=O)NCCC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471017153 647737315 /nfs/dbraw/zinc/73/73/15/647737315.db2.gz GPAIKOPWYSINOZ-KRWDZBQOSA-N 1 2 384.933 1.852 20 30 GDEDLO Cn1ncc(Br)c1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000601967080 652612002 /nfs/dbraw/zinc/61/20/02/652612002.db2.gz HRYLXNKHIKNUQL-UHFFFAOYSA-N 1 2 383.271 1.618 20 30 GDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(C#N)c(Br)cn1 ZINC000603414358 652713201 /nfs/dbraw/zinc/71/32/01/652713201.db2.gz YNIAFZSOXFRHRF-INIZCTEOSA-N 1 2 381.274 1.743 20 30 GDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(C#N)c(Br)cn1 ZINC000603414358 652713204 /nfs/dbraw/zinc/71/32/04/652713204.db2.gz YNIAFZSOXFRHRF-INIZCTEOSA-N 1 2 381.274 1.743 20 30 GDEDLO C=C(C)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787895037 654974980 /nfs/dbraw/zinc/97/49/80/654974980.db2.gz FXSMLAKOLPSCHD-UHFFFAOYSA-N 1 2 395.301 1.832 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856731473 655715588 /nfs/dbraw/zinc/71/55/88/655715588.db2.gz PVKAWSOZPUFCLM-UHFFFAOYSA-N 1 2 395.257 1.619 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856731473 655715590 /nfs/dbraw/zinc/71/55/90/655715590.db2.gz PVKAWSOZPUFCLM-UHFFFAOYSA-N 1 2 395.257 1.619 20 30 GDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883086426 657268719 /nfs/dbraw/zinc/26/87/19/657268719.db2.gz VJMQJNUVWVFUGA-UHFFFAOYSA-N 1 2 382.262 1.948 20 30 GDEDLO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883086426 657268722 /nfs/dbraw/zinc/26/87/22/657268722.db2.gz VJMQJNUVWVFUGA-UHFFFAOYSA-N 1 2 382.262 1.948 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000884451000 657358131 /nfs/dbraw/zinc/35/81/31/657358131.db2.gz ZONRTEJUQIWSDW-SHPPOPEUSA-N 1 2 379.254 1.650 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)Cc2ncsc2Br)C1 ZINC000885509067 657481245 /nfs/dbraw/zinc/48/12/45/657481245.db2.gz OYCRMXWVRKQIHQ-SNVBAGLBSA-N 1 2 378.317 1.423 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2ncsc2Br)C1 ZINC000885509067 657481249 /nfs/dbraw/zinc/48/12/49/657481249.db2.gz OYCRMXWVRKQIHQ-SNVBAGLBSA-N 1 2 378.317 1.423 20 30 GDEDLO C#CC[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000886363867 657646373 /nfs/dbraw/zinc/64/63/73/657646373.db2.gz GKEOHFFWSSEQIN-OAHLLOKOSA-N 1 2 384.523 1.056 20 30 GDEDLO C#CC[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000886363867 657646378 /nfs/dbraw/zinc/64/63/78/657646378.db2.gz GKEOHFFWSSEQIN-OAHLLOKOSA-N 1 2 384.523 1.056 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000891603192 658254082 /nfs/dbraw/zinc/25/40/82/658254082.db2.gz NVYOLUGESLCYMD-NSHDSACASA-N 1 2 382.233 1.741 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(F)c2Br)C1 ZINC000891603192 658254087 /nfs/dbraw/zinc/25/40/87/658254087.db2.gz NVYOLUGESLCYMD-NSHDSACASA-N 1 2 382.233 1.741 20 30 GDEDLO C=C(Br)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001076260445 677680400 /nfs/dbraw/zinc/68/04/00/677680400.db2.gz LBYMIZRCNNLDPV-DSJMHWKBSA-N 1 2 379.302 1.965 20 30 GDEDLO Cc1cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)ncc1C#N ZINC001164827123 720446628 /nfs/dbraw/zinc/44/66/28/720446628.db2.gz ZFJWRCWOERBADV-SFHVURJKSA-N 1 2 396.495 1.448 20 30 GDEDLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C#N)c(C#N)nc2Cl)CC1 ZINC001164916797 721815906 /nfs/dbraw/zinc/81/59/06/721815906.db2.gz GYJGFMVFPUFTJY-UHFFFAOYSA-N 1 2 382.859 1.819 20 30 GDEDLO N#Cc1ncc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164943732 721971129 /nfs/dbraw/zinc/97/11/29/721971129.db2.gz CLPJPGLBDVICNN-UHFFFAOYSA-N 1 2 396.882 1.973 20 30 GDEDLO N#Cc1ncc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164943732 721971130 /nfs/dbraw/zinc/97/11/30/721971130.db2.gz CLPJPGLBDVICNN-UHFFFAOYSA-N 1 2 396.882 1.973 20 30 GDEDLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(C#N)n1 ZINC001164948457 721975010 /nfs/dbraw/zinc/97/50/10/721975010.db2.gz ZJWOGRLTPFSICC-UHFFFAOYSA-N 1 2 376.464 1.628 20 30 GDEDLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(C#N)n1 ZINC001164948457 721975012 /nfs/dbraw/zinc/97/50/12/721975012.db2.gz ZJWOGRLTPFSICC-UHFFFAOYSA-N 1 2 376.464 1.628 20 30 GDEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573292206 946928588 /nfs/dbraw/zinc/92/85/88/946928588.db2.gz PQHUANXIBKEMMT-SNVBAGLBSA-N 1 2 382.266 1.544 20 30 GDEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573292206 946928596 /nfs/dbraw/zinc/92/85/96/946928596.db2.gz PQHUANXIBKEMMT-SNVBAGLBSA-N 1 2 382.266 1.544 20 30 GDEDLO C=CCCn1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)nn1 ZINC001573341729 947533434 /nfs/dbraw/zinc/53/34/34/947533434.db2.gz POGWKTJSWQSTBF-UHFFFAOYSA-N 1 2 390.455 1.725 20 30 GDEDLO N#CC1(CS(=O)(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000164383750 530579395 /nfs/dbraw/zinc/57/93/95/530579395.db2.gz KLTGAYBMSPDRAJ-UHFFFAOYSA-N 1 2 383.901 1.970 20 30 GDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000031238854 530602494 /nfs/dbraw/zinc/60/24/94/530602494.db2.gz NKUCNWNCMRHHQF-LLVKDONJSA-N 1 2 397.273 1.720 20 30 GDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000031238854 530602497 /nfs/dbraw/zinc/60/24/97/530602497.db2.gz NKUCNWNCMRHHQF-LLVKDONJSA-N 1 2 397.273 1.720 20 30 GDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(Br)ccc2OC)CC1 ZINC000064432571 530750016 /nfs/dbraw/zinc/75/00/16/530750016.db2.gz GRDXYLPCZMAFHW-UHFFFAOYSA-N 1 2 387.299 1.787 20 30 GDEDLO C=CCOc1c(Br)cc(CN2CC[NH+](CC(N)=O)CC2)cc1OC ZINC000179834733 530751232 /nfs/dbraw/zinc/75/12/32/530751232.db2.gz WNCLBAPLBXGKCJ-UHFFFAOYSA-N 1 2 398.301 1.625 20 30 GDEDLO CC(C)NC(=O)C[NH+]1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000180945530 530774857 /nfs/dbraw/zinc/77/48/57/530774857.db2.gz BXCZLASNTIMRGJ-UHFFFAOYSA-N 1 2 379.302 1.963 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2scc(C)c2Br)CC1 ZINC000190924757 530940223 /nfs/dbraw/zinc/94/02/23/530940223.db2.gz XMIFAMUOKDAYQP-UHFFFAOYSA-N 1 2 398.326 1.716 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2scc(C)c2Br)CC1 ZINC000190924757 530940228 /nfs/dbraw/zinc/94/02/28/530940228.db2.gz XMIFAMUOKDAYQP-UHFFFAOYSA-N 1 2 398.326 1.716 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(OC)ccc2Br)CC1 ZINC000122225668 530968471 /nfs/dbraw/zinc/96/84/71/530968471.db2.gz HKCPRYUFTPALBL-UHFFFAOYSA-N 1 2 382.302 1.878 20 30 GDEDLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000155883620 531203471 /nfs/dbraw/zinc/20/34/71/531203471.db2.gz DMTIUEQLTKHSSV-OAHLLOKOSA-N 1 2 384.889 1.210 20 30 GDEDLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000155883620 531203472 /nfs/dbraw/zinc/20/34/72/531203472.db2.gz DMTIUEQLTKHSSV-OAHLLOKOSA-N 1 2 384.889 1.210 20 30 GDEDLO Cc1cc(Br)cn2cc(CNC(=O)[C@@H](C)n3cnc(C#N)n3)[nH+]c12 ZINC000409945816 531271515 /nfs/dbraw/zinc/27/15/15/531271515.db2.gz ZFIVDJMTKRIPSU-SNVBAGLBSA-N 1 2 388.229 1.746 20 30 GDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440406374 531336784 /nfs/dbraw/zinc/33/67/84/531336784.db2.gz XILZMIMUXWAKMN-CQSZACIVSA-N 1 2 376.400 1.950 20 30 GDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440406374 531336788 /nfs/dbraw/zinc/33/67/88/531336788.db2.gz XILZMIMUXWAKMN-CQSZACIVSA-N 1 2 376.400 1.950 20 30 GDEDLO CN(C[C@H](O)C[N@H+](C)CCC#N)S(=O)(=O)c1ccc(Br)s1 ZINC000414140421 531432870 /nfs/dbraw/zinc/43/28/70/531432870.db2.gz HZCGHVCBFYCCJP-SNVBAGLBSA-N 1 2 396.332 1.337 20 30 GDEDLO CN(C[C@H](O)C[N@@H+](C)CCC#N)S(=O)(=O)c1ccc(Br)s1 ZINC000414140421 531432872 /nfs/dbraw/zinc/43/28/72/531432872.db2.gz HZCGHVCBFYCCJP-SNVBAGLBSA-N 1 2 396.332 1.337 20 30 GDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)COc1cccc(Br)c1C#N ZINC000449852630 531479760 /nfs/dbraw/zinc/47/97/60/531479760.db2.gz ZBEBKUIHJVFQNU-CYBMUJFWSA-N 1 2 395.301 1.452 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nc(C(F)(F)F)cs2)nc1 ZINC000581603168 531501891 /nfs/dbraw/zinc/50/18/91/531501891.db2.gz MZCBZXSXIBEGHH-UHFFFAOYSA-N 1 2 376.385 1.992 20 30 GDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCOC)Cc1cc(Br)cs1 ZINC000549756019 531524437 /nfs/dbraw/zinc/52/44/37/531524437.db2.gz VFXIZEGIVVDMFU-UHFFFAOYSA-N 1 2 390.303 1.971 20 30 GDEDLO C=CCNC(=O)NC(=O)C[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000549756019 531524441 /nfs/dbraw/zinc/52/44/41/531524441.db2.gz VFXIZEGIVVDMFU-UHFFFAOYSA-N 1 2 390.303 1.971 20 30 GDEDLO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)C(C)C ZINC000451430223 531615771 /nfs/dbraw/zinc/61/57/71/531615771.db2.gz NFDXDDWUTOEGML-IRXDYDNUSA-N 1 2 392.587 1.429 20 30 GDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494721494 531621641 /nfs/dbraw/zinc/62/16/41/531621641.db2.gz MGVBIJYZYBAEKP-SMDDNHRTSA-N 1 2 384.889 1.552 20 30 GDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494721494 531621650 /nfs/dbraw/zinc/62/16/50/531621650.db2.gz MGVBIJYZYBAEKP-SMDDNHRTSA-N 1 2 384.889 1.552 20 30 GDEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416472415 531632519 /nfs/dbraw/zinc/63/25/19/531632519.db2.gz NBYQTAIPYZQIKU-LLVKDONJSA-N 1 2 388.287 1.008 20 30 GDEDLO N#C[C@H]1CN(S(=O)(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CCO1 ZINC000451611927 531646284 /nfs/dbraw/zinc/64/62/84/531646284.db2.gz ZCCJOLXJWRKTKN-LBPRGKRZSA-N 1 2 381.845 1.084 20 30 GDEDLO N#CC[C@@]1(O)CC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000592148829 531767840 /nfs/dbraw/zinc/76/78/40/531767840.db2.gz CMQQPLLXCOEZHB-CQSZACIVSA-N 1 2 385.205 1.580 20 30 GDEDLO N#CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000592148829 531767845 /nfs/dbraw/zinc/76/78/45/531767845.db2.gz CMQQPLLXCOEZHB-CQSZACIVSA-N 1 2 385.205 1.580 20 30 GDEDLO CS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000298707156 531912393 /nfs/dbraw/zinc/91/23/93/531912393.db2.gz AABFAJOLVXJYJB-GFCCVEGCSA-N 1 2 384.889 1.411 20 30 GDEDLO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000298707156 531912399 /nfs/dbraw/zinc/91/23/99/531912399.db2.gz AABFAJOLVXJYJB-GFCCVEGCSA-N 1 2 384.889 1.411 20 30 GDEDLO CCn1cc(Br)cc1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000320588036 532068861 /nfs/dbraw/zinc/06/88/61/532068861.db2.gz BUXPTICEOKDXPL-UHFFFAOYSA-N 1 2 383.290 1.959 20 30 GDEDLO Cc1c(NC(=O)C(=O)N2CCn3c[nH+]cc3C2)ccc(Br)c1C#N ZINC000425791693 532154151 /nfs/dbraw/zinc/15/41/51/532154151.db2.gz VNVPCKHIPNOJJO-UHFFFAOYSA-N 1 2 388.225 1.807 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000820804062 606778245 /nfs/dbraw/zinc/77/82/45/606778245.db2.gz METXLTMNJNNKHL-AWEZNQCLSA-N 1 2 391.439 1.270 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000820804062 606778246 /nfs/dbraw/zinc/77/82/46/606778246.db2.gz METXLTMNJNNKHL-AWEZNQCLSA-N 1 2 391.439 1.270 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000820804709 606778943 /nfs/dbraw/zinc/77/89/43/606778943.db2.gz XVXCEPLMWUAAQJ-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000820804709 606778945 /nfs/dbraw/zinc/77/89/45/606778945.db2.gz XVXCEPLMWUAAQJ-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000820788695 606785094 /nfs/dbraw/zinc/78/50/94/606785094.db2.gz MLRIJETVQQQZPA-AWEZNQCLSA-N 1 2 391.439 1.118 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000820788695 606785095 /nfs/dbraw/zinc/78/50/95/606785095.db2.gz MLRIJETVQQQZPA-AWEZNQCLSA-N 1 2 391.439 1.118 20 30 GDEDLO N#CCCN(CCC#N)C(=O)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826381752 608466890 /nfs/dbraw/zinc/46/68/90/608466890.db2.gz XVOAJRGCJNCXPD-UHFFFAOYSA-N 1 2 390.451 1.612 20 30 GDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826381752 608466891 /nfs/dbraw/zinc/46/68/91/608466891.db2.gz XVOAJRGCJNCXPD-UHFFFAOYSA-N 1 2 390.451 1.612 20 30 GDEDLO C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CC[NH+]1CCOCC1 ZINC000508827210 648260100 /nfs/dbraw/zinc/26/01/00/648260100.db2.gz QJOXCDOOTVTDIK-UHFFFAOYSA-N 1 2 395.305 1.990 20 30 GDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)Cc2cc(Br)cs2)nn1 ZINC000640980541 653561567 /nfs/dbraw/zinc/56/15/67/653561567.db2.gz VSDVYLOWBFWVRB-UHFFFAOYSA-N 1 2 396.314 1.874 20 30 GDEDLO C[S@@](=O)CC[NH+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000746464532 654761487 /nfs/dbraw/zinc/76/14/87/654761487.db2.gz CVNRWUWOJWMBBL-RUZDIDTESA-N 1 2 382.917 1.536 20 30 GDEDLO COCCCN1c2ccc(Br)cc2C(=NNC2=[NH+]C[C@@H](C)N2)C1=O ZINC000779791439 654767858 /nfs/dbraw/zinc/76/78/58/654767858.db2.gz CRIVWOVTIXVLIO-SNVBAGLBSA-N 1 2 394.273 1.474 20 30 GDEDLO C#CC1(O)CC[NH+](CC(=O)Nc2cccc(I)c2)CC1 ZINC000708121853 654834196 /nfs/dbraw/zinc/83/41/96/654834196.db2.gz IXZNMOMAKIAYQB-UHFFFAOYSA-N 1 2 384.217 1.690 20 30 GDEDLO C#CCN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000802578920 654949997 /nfs/dbraw/zinc/94/99/97/654949997.db2.gz SHASMIPOWMXYJK-UHFFFAOYSA-N 1 2 393.285 1.231 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCCn2cc[nH+]c2)s1 ZINC000821042342 655421162 /nfs/dbraw/zinc/42/11/62/655421162.db2.gz FDZZJROZPHIJKR-UHFFFAOYSA-N 1 2 382.511 1.500 20 30 GDEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335491 655612610 /nfs/dbraw/zinc/61/26/10/655612610.db2.gz HYMSJTQKQHIXLR-FOGDFJRCSA-N 1 2 378.108 1.952 20 30 GDEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335491 655612612 /nfs/dbraw/zinc/61/26/12/655612612.db2.gz HYMSJTQKQHIXLR-FOGDFJRCSA-N 1 2 378.108 1.952 20 30 GDEDLO C[C@]12CC[N@H+](CC(=O)NCCC#N)C[C@H]1C2(Br)Br ZINC000852336155 655612644 /nfs/dbraw/zinc/61/26/44/655612644.db2.gz WZXMSLNWLUXOIC-KOLCDFICSA-N 1 2 379.096 1.844 20 30 GDEDLO C[C@]12CC[N@@H+](CC(=O)NCCC#N)C[C@H]1C2(Br)Br ZINC000852336155 655612646 /nfs/dbraw/zinc/61/26/46/655612646.db2.gz WZXMSLNWLUXOIC-KOLCDFICSA-N 1 2 379.096 1.844 20 30 GDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000858951236 655757094 /nfs/dbraw/zinc/75/70/94/655757094.db2.gz UOFVFXRDBNXKPH-UHFFFAOYSA-N 1 2 378.267 1.912 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCCn2cc[nH+]c2)s1 ZINC000874469319 656473562 /nfs/dbraw/zinc/47/35/62/656473562.db2.gz MNWCFOGAXPOVAU-UHFFFAOYSA-N 1 2 382.511 1.548 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000923590431 656572860 /nfs/dbraw/zinc/57/28/60/656572860.db2.gz WNBVEZCXKIPEEB-AWEZNQCLSA-N 1 2 381.523 1.360 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1 ZINC000923590431 656572864 /nfs/dbraw/zinc/57/28/64/656572864.db2.gz WNBVEZCXKIPEEB-AWEZNQCLSA-N 1 2 381.523 1.360 20 30 GDEDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2ccc(Br)c(C#N)n2)[C@H](C)CO1 ZINC000883116913 657273447 /nfs/dbraw/zinc/27/34/47/657273447.db2.gz KEMDUHJCSUMFPC-GHMZBOCLSA-N 1 2 382.262 1.946 20 30 GDEDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(Br)c(C#N)n2)[C@H](C)CO1 ZINC000883116913 657273451 /nfs/dbraw/zinc/27/34/51/657273451.db2.gz KEMDUHJCSUMFPC-GHMZBOCLSA-N 1 2 382.262 1.946 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000891608541 658255870 /nfs/dbraw/zinc/25/58/70/658255870.db2.gz ZERUPZUJIZFIQD-CQSZACIVSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000891608541 658255874 /nfs/dbraw/zinc/25/58/74/658255874.db2.gz ZERUPZUJIZFIQD-CQSZACIVSA-N 1 2 378.270 1.910 20 30 GDEDLO C[C@@H](NC(=O)COc1cccc(Br)c1C#N)[C@H]1CN(C)CC[N@@H+]1C ZINC000896533296 658784949 /nfs/dbraw/zinc/78/49/49/658784949.db2.gz HQCJHZVDYHCLPL-IUODEOHRSA-N 1 2 395.301 1.450 20 30 GDEDLO C[C@@H](NC(=O)COc1cccc(Br)c1C#N)[C@H]1CN(C)CC[N@H+]1C ZINC000896533296 658784951 /nfs/dbraw/zinc/78/49/51/658784951.db2.gz HQCJHZVDYHCLPL-IUODEOHRSA-N 1 2 395.301 1.450 20 30 GDEDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)CC1 ZINC000906974464 659632106 /nfs/dbraw/zinc/63/21/06/659632106.db2.gz KWAJBUWXLKNFSA-UHFFFAOYSA-N 1 2 379.507 1.850 20 30 GDEDLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)CC1 ZINC000906996983 659638023 /nfs/dbraw/zinc/63/80/23/659638023.db2.gz DEFFOXIAEOIWQF-ZDUSSCGKSA-N 1 2 379.507 1.850 20 30 GDEDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907247137 659708156 /nfs/dbraw/zinc/70/81/56/659708156.db2.gz ARWFDFNJHOQCRZ-CHWSQXEVSA-N 1 2 379.507 1.849 20 30 GDEDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907247137 659708161 /nfs/dbraw/zinc/70/81/61/659708161.db2.gz ARWFDFNJHOQCRZ-CHWSQXEVSA-N 1 2 379.507 1.849 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C#N)cc(Cl)n1 ZINC001164697265 719837198 /nfs/dbraw/zinc/83/71/98/719837198.db2.gz CFUCSECDEWFTNR-KDOFPFPSSA-N 1 2 378.860 1.839 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(Cl)c1C#N ZINC001164696989 719846145 /nfs/dbraw/zinc/84/61/45/719846145.db2.gz BKYXPUSANVIDLD-SCLBCKFNSA-N 1 2 378.860 1.839 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc(C)c1C#N ZINC001164700121 719855554 /nfs/dbraw/zinc/85/55/54/719855554.db2.gz GPSHPTUCFWYLCE-SCLBCKFNSA-N 1 2 393.875 1.543 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C)cc1C=NO ZINC001164702390 719863380 /nfs/dbraw/zinc/86/33/80/719863380.db2.gz IUWCDFLLXCHQKD-QFBILLFUSA-N 1 2 376.457 1.431 20 30 GDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(CC#N)ccn1)C2 ZINC001164829907 720464034 /nfs/dbraw/zinc/46/40/34/720464034.db2.gz HOYCUMHUBAYSPJ-SFHVURJKSA-N 1 2 396.495 1.334 20 30 GDEDLO N#Cc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(F)c1 ZINC001164914356 721790466 /nfs/dbraw/zinc/79/04/66/721790466.db2.gz CLJWIENFDCUMGU-FQEVSTJZSA-N 1 2 383.427 1.595 20 30 GDEDLO N#Cc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(F)c1 ZINC001164914356 721790468 /nfs/dbraw/zinc/79/04/68/721790468.db2.gz CLJWIENFDCUMGU-FQEVSTJZSA-N 1 2 383.427 1.595 20 30 GDEDLO Cc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C=NO)c1 ZINC001164916311 721790867 /nfs/dbraw/zinc/79/08/67/721790867.db2.gz POQLNNDEIBCKNB-OAQYLSRUSA-N 1 2 397.479 1.701 20 30 GDEDLO Cc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C=NO)c1 ZINC001164916311 721790869 /nfs/dbraw/zinc/79/08/69/721790869.db2.gz POQLNNDEIBCKNB-OAQYLSRUSA-N 1 2 397.479 1.701 20 30 GDEDLO C=C(C)CCC(=O)NCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)c(C)n2)CC1 ZINC001573293903 946973603 /nfs/dbraw/zinc/97/36/03/946973603.db2.gz NRZQXICEMUGECW-UHFFFAOYSA-N 1 2 384.488 1.165 20 30 GDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573315770 947259485 /nfs/dbraw/zinc/25/94/85/947259485.db2.gz PFWKTTUCGJQFAS-CSMYWGQOSA-N 1 2 388.447 1.269 20 30 GDEDLO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573315770 947259496 /nfs/dbraw/zinc/25/94/96/947259496.db2.gz PFWKTTUCGJQFAS-CSMYWGQOSA-N 1 2 388.447 1.269 20 30 GDEDLO C[C@H]1C[NH+]=C(N2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)S1 ZINC000175804394 530670610 /nfs/dbraw/zinc/67/06/10/530670610.db2.gz MPUMSJVTZJUWIC-AWEZNQCLSA-N 1 2 378.523 1.441 20 30 GDEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000106233005 530847688 /nfs/dbraw/zinc/84/76/88/530847688.db2.gz ISNDRJDHXOTWBA-UHFFFAOYSA-N 1 2 379.873 1.452 20 30 GDEDLO COCCNC(=O)C[NH+]1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191771148 530954228 /nfs/dbraw/zinc/95/42/28/530954228.db2.gz QJFHMLBYNUQPAH-UHFFFAOYSA-N 1 2 395.301 1.201 20 30 GDEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000123775274 530987803 /nfs/dbraw/zinc/98/78/03/530987803.db2.gz LFDYXGQIRXQWRT-OAHLLOKOSA-N 1 2 388.917 1.982 20 30 GDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000194592104 531006978 /nfs/dbraw/zinc/00/69/78/531006978.db2.gz XTQFZLWFCZFYLI-CYBMUJFWSA-N 1 2 384.527 1.251 20 30 GDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000409585782 531258559 /nfs/dbraw/zinc/25/85/59/531258559.db2.gz HAAWBFZIROXMBF-JTQLQIEISA-N 1 2 386.275 1.523 20 30 GDEDLO N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 ZINC000439277818 531319102 /nfs/dbraw/zinc/31/91/02/531319102.db2.gz XDCLZQWMIHFQMQ-UHFFFAOYSA-N 1 2 376.404 1.509 20 30 GDEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292094572 531334026 /nfs/dbraw/zinc/33/40/26/531334026.db2.gz FTUKGOOGOGZQMC-CQSZACIVSA-N 1 2 376.400 1.902 20 30 GDEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292094572 531334027 /nfs/dbraw/zinc/33/40/27/531334027.db2.gz FTUKGOOGOGZQMC-CQSZACIVSA-N 1 2 376.400 1.902 20 30 GDEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)c1 ZINC000443482043 531393666 /nfs/dbraw/zinc/39/36/66/531393666.db2.gz IKKWBYRMWBJPRI-UHFFFAOYSA-N 1 2 393.222 1.863 20 30 GDEDLO C[C@@H]1C[NH+]=C(N2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)S1 ZINC000267645004 531441257 /nfs/dbraw/zinc/44/12/57/531441257.db2.gz WMIWZXSNYNTWIH-TZMCWYRMSA-N 1 2 375.523 1.834 20 30 GDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449627409 531473380 /nfs/dbraw/zinc/47/33/80/531473380.db2.gz GHWMFFFSDFYXHS-LBPRGKRZSA-N 1 2 382.258 1.536 20 30 GDEDLO N#Cc1ccc(OCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1Br ZINC000449871591 531480408 /nfs/dbraw/zinc/48/04/08/531480408.db2.gz PILKMWOEMZQKLY-OAHLLOKOSA-N 1 2 394.269 1.679 20 30 GDEDLO N#Cc1ccc(OCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1Br ZINC000449871591 531480411 /nfs/dbraw/zinc/48/04/11/531480411.db2.gz PILKMWOEMZQKLY-OAHLLOKOSA-N 1 2 394.269 1.679 20 30 GDEDLO C[N@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@H](c2cccc(Br)c2)C1=O ZINC000416407722 531604635 /nfs/dbraw/zinc/60/46/35/531604635.db2.gz LWGHMUMSOPZIFA-HUUCEWRRSA-N 1 2 394.269 1.498 20 30 GDEDLO C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)C[C@H](c2cccc(Br)c2)C1=O ZINC000416407722 531604651 /nfs/dbraw/zinc/60/46/51/531604651.db2.gz LWGHMUMSOPZIFA-HUUCEWRRSA-N 1 2 394.269 1.498 20 30 GDEDLO C[N@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@H](c2cccc(Br)c2)C1=O ZINC000416407723 531604831 /nfs/dbraw/zinc/60/48/31/531604831.db2.gz LWGHMUMSOPZIFA-LSDHHAIUSA-N 1 2 394.269 1.498 20 30 GDEDLO C[N@@H+](CCC#N)C[C@H](O)CN1C(=O)C[C@H](c2cccc(Br)c2)C1=O ZINC000416407723 531604833 /nfs/dbraw/zinc/60/48/33/531604833.db2.gz LWGHMUMSOPZIFA-LSDHHAIUSA-N 1 2 394.269 1.498 20 30 GDEDLO C=CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H](C)COC ZINC000661241567 531646387 /nfs/dbraw/zinc/64/63/87/531646387.db2.gz BHUPXUPJLKEPTB-NSHDSACASA-N 1 2 375.878 1.449 20 30 GDEDLO C=CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H](C)COC ZINC000661241567 531646391 /nfs/dbraw/zinc/64/63/91/531646391.db2.gz BHUPXUPJLKEPTB-NSHDSACASA-N 1 2 375.878 1.449 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000365274465 531635908 /nfs/dbraw/zinc/63/59/08/531635908.db2.gz JFXLNOYJGNVMNV-GDBMZVCRSA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000365274465 531635913 /nfs/dbraw/zinc/63/59/13/531635913.db2.gz JFXLNOYJGNVMNV-GDBMZVCRSA-N 1 2 385.555 1.665 20 30 GDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000589826957 531676143 /nfs/dbraw/zinc/67/61/43/531676143.db2.gz KDKWAOOPXDVMOG-MRXNPFEDSA-N 1 2 381.274 1.529 20 30 GDEDLO CC#CC[NH2+]Cc1cn(Cc2cc3c(cc2Br)OCCO3)nn1 ZINC000640852107 531767559 /nfs/dbraw/zinc/76/75/59/531767559.db2.gz OJWJRDUJJVTFMA-UHFFFAOYSA-N 1 2 377.242 1.973 20 30 GDEDLO C[C@@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592145945 531767621 /nfs/dbraw/zinc/76/76/21/531767621.db2.gz BXXJXQRVVPMWTQ-XHDPSFHLSA-N 1 2 399.232 1.969 20 30 GDEDLO C[C@@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592145945 531767630 /nfs/dbraw/zinc/76/76/30/531767630.db2.gz BXXJXQRVVPMWTQ-XHDPSFHLSA-N 1 2 399.232 1.969 20 30 GDEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592525234 531793565 /nfs/dbraw/zinc/79/35/65/531793565.db2.gz MUXWZENNJOCVQJ-YVEFUNNKSA-N 1 2 396.285 1.813 20 30 GDEDLO CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592525234 531793571 /nfs/dbraw/zinc/79/35/71/531793571.db2.gz MUXWZENNJOCVQJ-YVEFUNNKSA-N 1 2 396.285 1.813 20 30 GDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)COc1cccc(I)c1 ZINC000563220958 531818141 /nfs/dbraw/zinc/81/81/41/531818141.db2.gz XVOUSQXZSFWOPP-AWEZNQCLSA-N 1 2 387.221 1.630 20 30 GDEDLO N#Cc1nc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)sc1Cl ZINC000596516100 531924034 /nfs/dbraw/zinc/92/40/34/531924034.db2.gz QURRMVKAEBKDHU-QGZVFWFLSA-N 1 2 378.885 2.344 20 30 GDEDLO N#Cc1nc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)sc1Cl ZINC000596516100 531924041 /nfs/dbraw/zinc/92/40/41/531924041.db2.gz QURRMVKAEBKDHU-QGZVFWFLSA-N 1 2 378.885 2.344 20 30 GDEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000271700804 532043600 /nfs/dbraw/zinc/04/36/00/532043600.db2.gz NLYXOXFQSHDWDY-LBPRGKRZSA-N 1 2 385.873 1.470 20 30 GDEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000271700804 532043603 /nfs/dbraw/zinc/04/36/03/532043603.db2.gz NLYXOXFQSHDWDY-LBPRGKRZSA-N 1 2 385.873 1.470 20 30 GDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc(S(C)(=O)=O)c(Cl)c3)C[C@H]21 ZINC000330227898 532117971 /nfs/dbraw/zinc/11/79/71/532117971.db2.gz CGFWEPKMZWXSAO-ZIAGYGMSSA-N 1 2 387.889 1.172 20 30 GDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc(S(C)(=O)=O)c(Cl)c3)C[C@H]21 ZINC000330227898 532117977 /nfs/dbraw/zinc/11/79/77/532117977.db2.gz CGFWEPKMZWXSAO-ZIAGYGMSSA-N 1 2 387.889 1.172 20 30 GDEDLO C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)CC1 ZINC000737515097 600593617 /nfs/dbraw/zinc/59/36/17/600593617.db2.gz GKNWCAFLQQGNNP-HXUWFJFHSA-N 1 2 392.459 1.861 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CCOc1ccccc1C#N ZINC000820788623 606785346 /nfs/dbraw/zinc/78/53/46/606785346.db2.gz KWGGEHWSFNBYSL-AWEZNQCLSA-N 1 2 391.439 1.118 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CCOc1ccccc1C#N ZINC000820788623 606785347 /nfs/dbraw/zinc/78/53/47/606785347.db2.gz KWGGEHWSFNBYSL-AWEZNQCLSA-N 1 2 391.439 1.118 20 30 GDEDLO C=CC[N@@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1CCCOC)C1CC1 ZINC000823903497 608266625 /nfs/dbraw/zinc/26/66/25/608266625.db2.gz BVQUJWOHQFPVKP-UHFFFAOYSA-N 1 2 387.488 1.910 20 30 GDEDLO C=CC[N@H+](CC(=O)Nc1c(-c2nn[nH]n2)c(C)c(C)n1CCCOC)C1CC1 ZINC000823903497 608266626 /nfs/dbraw/zinc/26/66/26/608266626.db2.gz BVQUJWOHQFPVKP-UHFFFAOYSA-N 1 2 387.488 1.910 20 30 GDEDLO NC(=[NH+]O[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)cc1 ZINC000826388157 609430258 /nfs/dbraw/zinc/43/02/58/609430258.db2.gz KKLUNOWMVWTXQI-INIZCTEOSA-N 1 2 395.398 1.838 20 30 GDEDLO NC(=[NH+]O[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1ccc(F)cc1 ZINC000826388158 609430329 /nfs/dbraw/zinc/43/03/29/609430329.db2.gz KKLUNOWMVWTXQI-MRXNPFEDSA-N 1 2 395.398 1.838 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000069148750 644575150 /nfs/dbraw/zinc/57/51/50/644575150.db2.gz SPSIBNCDSSYRME-UHFFFAOYSA-N 1 2 385.555 1.955 20 30 GDEDLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000570289788 651034156 /nfs/dbraw/zinc/03/41/56/651034156.db2.gz PLTOKLWGQZTOKF-UHFFFAOYSA-N 1 2 376.404 1.742 20 30 GDEDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000515176245 648483643 /nfs/dbraw/zinc/48/36/43/648483643.db2.gz FNCOSLBTACRKMV-CYBMUJFWSA-N 1 2 376.251 1.643 20 30 GDEDLO Cn1cc(Br)c(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)n1 ZINC000571039528 651064068 /nfs/dbraw/zinc/06/40/68/651064068.db2.gz BOSBGCKBVGJSIZ-CYBMUJFWSA-N 1 2 379.258 1.778 20 30 GDEDLO N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000598938359 652476164 /nfs/dbraw/zinc/47/61/64/652476164.db2.gz CXKSIYQGFCVNQP-CQSZACIVSA-N 1 2 386.253 1.695 20 30 GDEDLO C=CC[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000625701339 653043036 /nfs/dbraw/zinc/04/30/36/653043036.db2.gz JEDLXYDVHLYCIK-OAHLLOKOSA-N 1 2 386.539 1.609 20 30 GDEDLO C=CC[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000625701339 653043037 /nfs/dbraw/zinc/04/30/37/653043037.db2.gz JEDLXYDVHLYCIK-OAHLLOKOSA-N 1 2 386.539 1.609 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755960379 655006203 /nfs/dbraw/zinc/00/62/03/655006203.db2.gz YIBSAADGOXWUKW-CPJLOUKISA-N 1 2 383.583 1.647 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000822133418 655440761 /nfs/dbraw/zinc/44/07/61/655440761.db2.gz UVIYGMKJARFMMC-LBPRGKRZSA-N 1 2 380.495 1.083 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2cc(F)cc(Br)c2C1 ZINC000884446627 657357724 /nfs/dbraw/zinc/35/77/24/657357724.db2.gz VZXBZQCDAZLGPE-AWEZNQCLSA-N 1 2 385.233 1.920 20 30 GDEDLO C#C[C@H]1CCCC[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000934513710 657364717 /nfs/dbraw/zinc/36/47/17/657364717.db2.gz SMQSSPMHKBYGQC-ZDUSSCGKSA-N 1 2 378.270 1.992 20 30 GDEDLO C#C[C@H]1CCCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000934513710 657364730 /nfs/dbraw/zinc/36/47/30/657364730.db2.gz SMQSSPMHKBYGQC-ZDUSSCGKSA-N 1 2 378.270 1.992 20 30 GDEDLO Cn1nc(Br)nc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000894431531 658556669 /nfs/dbraw/zinc/55/66/69/658556669.db2.gz QFGOMYXKXNLNNX-CYBMUJFWSA-N 1 2 389.257 1.734 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)c(F)cc1C#N ZINC001164702750 719839326 /nfs/dbraw/zinc/83/93/26/719839326.db2.gz PMYUJAFYCKEJCP-ACJLOTCBSA-N 1 2 396.850 1.978 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)cc1C#N ZINC001164707099 719846093 /nfs/dbraw/zinc/84/60/93/719846093.db2.gz ZHEZJUGMUXTZLJ-SUMWQHHRSA-N 1 2 379.848 1.234 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2c(C#N)c[nH]c2n1 ZINC001164701122 719858315 /nfs/dbraw/zinc/85/83/15/719858315.db2.gz JLOHGADNSAPUEH-QRWLVFNGSA-N 1 2 383.452 1.667 20 30 GDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)cc(C#N)n1)CC2 ZINC001164708385 719903964 /nfs/dbraw/zinc/90/39/64/719903964.db2.gz BVDBHKOFYZAFOZ-UHFFFAOYSA-N 1 2 399.886 1.290 20 30 GDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C#N)cn1)C2 ZINC001164824350 720428040 /nfs/dbraw/zinc/42/80/40/720428040.db2.gz KWCCNZWUEAEKDQ-KRWDZBQOSA-N 1 2 382.468 1.139 20 30 GDEDLO N#Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945757 721971604 /nfs/dbraw/zinc/97/16/04/721971604.db2.gz RPNGHXYFCJMTNM-UHFFFAOYSA-N 1 2 396.882 1.973 20 30 GDEDLO N#Cc1c(Cl)ncnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945757 721971607 /nfs/dbraw/zinc/97/16/07/721971607.db2.gz RPNGHXYFCJMTNM-UHFFFAOYSA-N 1 2 396.882 1.973 20 30 GDEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cc(F)ccc2-c2nn[nH]n2)c[nH]1 ZINC001571308115 946430707 /nfs/dbraw/zinc/43/07/07/946430707.db2.gz NDSHFDKAVCYBMM-HOTGVXAUSA-N 1 2 392.398 1.304 20 30 GDEDLO N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cc(F)ccc2-c2nn[nH]n2)c[nH]1 ZINC001571308115 946430715 /nfs/dbraw/zinc/43/07/15/946430715.db2.gz NDSHFDKAVCYBMM-HOTGVXAUSA-N 1 2 392.398 1.304 20 30 GDEDLO C=C(C)CCC(=O)NCC[NH+]1CCN(c2nc(C)ccc2-c2nn[nH]n2)CC1 ZINC001573293861 946969983 /nfs/dbraw/zinc/96/99/83/946969983.db2.gz MFPPWKMMFSZRGS-UHFFFAOYSA-N 1 2 384.488 1.165 20 30 GDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C[C@@H](C)O2 ZINC001573295112 947008047 /nfs/dbraw/zinc/00/80/47/947008047.db2.gz MKGFPKBIGDMUAX-SJKOYZFVSA-N 1 2 391.863 1.253 20 30 GDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C[C@@H](C)O2 ZINC001573295112 947008060 /nfs/dbraw/zinc/00/80/60/947008060.db2.gz MKGFPKBIGDMUAX-SJKOYZFVSA-N 1 2 391.863 1.253 20 30 GDEDLO NC(CN1CCOCC1)=[NH+]OCc1nc(-c2cccc(Br)c2)no1 ZINC000112970529 530886189 /nfs/dbraw/zinc/88/61/89/530886189.db2.gz ZMESIEKFMDPWKZ-UHFFFAOYSA-N 1 2 396.245 1.620 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000125902121 531011807 /nfs/dbraw/zinc/01/18/07/531011807.db2.gz PJXQMBCTGSCGMX-QMTHXVAHSA-N 1 2 388.287 1.318 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000125902121 531011811 /nfs/dbraw/zinc/01/18/11/531011811.db2.gz PJXQMBCTGSCGMX-QMTHXVAHSA-N 1 2 388.287 1.318 20 30 GDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000249741235 531088833 /nfs/dbraw/zinc/08/88/33/531088833.db2.gz YBJHMXJCOXNMDC-BXUZGUMPSA-N 1 2 384.889 1.552 20 30 GDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000249741235 531088834 /nfs/dbraw/zinc/08/88/34/531088834.db2.gz YBJHMXJCOXNMDC-BXUZGUMPSA-N 1 2 384.889 1.552 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(SC)ccc2Cl)CC1 ZINC000264201752 531172608 /nfs/dbraw/zinc/17/26/08/531172608.db2.gz SWYABOCALLATML-UHFFFAOYSA-N 1 2 379.913 1.959 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(SC)ccc2Cl)CC1 ZINC000264201752 531172610 /nfs/dbraw/zinc/17/26/10/531172610.db2.gz SWYABOCALLATML-UHFFFAOYSA-N 1 2 379.913 1.959 20 30 GDEDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ncc(Br)cn1 ZINC000432999716 531215444 /nfs/dbraw/zinc/21/54/44/531215444.db2.gz MRUKHVSLMGSPSW-JTQLQIEISA-N 1 2 396.270 1.630 20 30 GDEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N1CC[NH+](C)CC1 ZINC000410450291 531287730 /nfs/dbraw/zinc/28/77/30/531287730.db2.gz UEECAZCJWVVOPF-UHFFFAOYSA-N 1 2 398.276 1.877 20 30 GDEDLO N#CCCn1ccc(NC(=O)NCc2cn3cc(Br)ccc3[nH+]2)n1 ZINC000438336988 531303617 /nfs/dbraw/zinc/30/36/17/531303617.db2.gz WOSRVEZJTZHPHQ-UHFFFAOYSA-N 1 2 388.229 2.529 20 30 GDEDLO Cn1c(CC#N)nnc1SCC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000477035298 531323448 /nfs/dbraw/zinc/32/34/48/531323448.db2.gz CQEGNEBUIYJKEO-UHFFFAOYSA-N 1 2 377.499 1.664 20 30 GDEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000278845248 531395114 /nfs/dbraw/zinc/39/51/14/531395114.db2.gz PXDXVHDWGDSQNE-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@H](NC(=O)COc1cccc(Br)c1C#N)[C@H](C)[NH+]1CCOCC1 ZINC000449846501 531479916 /nfs/dbraw/zinc/47/99/16/531479916.db2.gz YTEPEYUMHGQQDB-STQMWFEESA-N 1 2 396.285 1.925 20 30 GDEDLO C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451195135 531565758 /nfs/dbraw/zinc/56/57/58/531565758.db2.gz XDUAHNCIXJEOER-SECBINFHSA-N 1 2 376.251 1.784 20 30 GDEDLO C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451195135 531565765 /nfs/dbraw/zinc/56/57/65/531565765.db2.gz XDUAHNCIXJEOER-SECBINFHSA-N 1 2 376.251 1.784 20 30 GDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)CO ZINC000295677615 531612055 /nfs/dbraw/zinc/61/20/55/531612055.db2.gz HQPVKPCHTKSEAS-AWEZNQCLSA-N 1 2 382.873 1.983 20 30 GDEDLO N#Cc1ccc(Br)cc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000416471559 531633195 /nfs/dbraw/zinc/63/31/95/531633195.db2.gz KYFACHPLSJGKSW-UHFFFAOYSA-N 1 2 388.287 1.321 20 30 GDEDLO N#Cc1ccc(Br)cc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000416471559 531633202 /nfs/dbraw/zinc/63/32/02/531633202.db2.gz KYFACHPLSJGKSW-UHFFFAOYSA-N 1 2 388.287 1.321 20 30 GDEDLO COCC(COC)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000416567684 531680773 /nfs/dbraw/zinc/68/07/73/531680773.db2.gz GCWLZHRMZBPIGV-UHFFFAOYSA-N 1 2 387.889 1.179 20 30 GDEDLO COC(=O)c1ccc(Br)cc1CO[NH+]=C(N)C(C)(C)NC(C)=O ZINC000282321722 531737465 /nfs/dbraw/zinc/73/74/65/531737465.db2.gz UDXZOGCIBZMZIY-UHFFFAOYSA-N 1 2 386.246 1.939 20 30 GDEDLO N#Cc1c(NC(=O)CC[N@H+]2CCSC[C@@H]2C(N)=O)sc2c1CCCC2 ZINC000271551411 532024875 /nfs/dbraw/zinc/02/48/75/532024875.db2.gz LODJCTFERWEGFE-CYBMUJFWSA-N 1 2 378.523 1.730 20 30 GDEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@@H]2C(N)=O)sc2c1CCCC2 ZINC000271551411 532024882 /nfs/dbraw/zinc/02/48/82/532024882.db2.gz LODJCTFERWEGFE-CYBMUJFWSA-N 1 2 378.523 1.730 20 30 GDEDLO NS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000329182430 532098374 /nfs/dbraw/zinc/09/83/74/532098374.db2.gz PBBNAWNPRDYTIA-CYBMUJFWSA-N 1 2 387.531 1.427 20 30 GDEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287978286 532255240 /nfs/dbraw/zinc/25/52/40/532255240.db2.gz ZORBOYOWMOKQLJ-UHFFFAOYSA-N 1 2 395.257 1.050 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)nc1 ZINC000289421557 532323529 /nfs/dbraw/zinc/32/35/29/532323529.db2.gz MTXULXNDYGAYNX-STQMWFEESA-N 1 2 377.388 1.220 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)nc1 ZINC000289421557 532323530 /nfs/dbraw/zinc/32/35/30/532323530.db2.gz MTXULXNDYGAYNX-STQMWFEESA-N 1 2 377.388 1.220 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000735420743 598269686 /nfs/dbraw/zinc/26/96/86/598269686.db2.gz RRJHVDAAXWMBGH-HNNXBMFYSA-N 1 2 385.472 1.285 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000735420743 598269688 /nfs/dbraw/zinc/26/96/88/598269688.db2.gz RRJHVDAAXWMBGH-HNNXBMFYSA-N 1 2 385.472 1.285 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000735420097 598392175 /nfs/dbraw/zinc/39/21/75/598392175.db2.gz MICZDYGIBIBWNP-INIZCTEOSA-N 1 2 398.515 1.200 20 30 GDEDLO C=CC[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735418708 598538820 /nfs/dbraw/zinc/53/88/20/598538820.db2.gz HHVSEFURJYZBEO-HNNXBMFYSA-N 1 2 377.470 1.311 20 30 GDEDLO C=CC[N@@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000735418708 598538821 /nfs/dbraw/zinc/53/88/21/598538821.db2.gz HHVSEFURJYZBEO-HNNXBMFYSA-N 1 2 377.470 1.311 20 30 GDEDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000736818394 598616297 /nfs/dbraw/zinc/61/62/97/598616297.db2.gz OQLHUVNLCFAWNE-QGZVFWFLSA-N 1 2 387.403 1.502 20 30 GDEDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000736818394 598616298 /nfs/dbraw/zinc/61/62/98/598616298.db2.gz OQLHUVNLCFAWNE-QGZVFWFLSA-N 1 2 387.403 1.502 20 30 GDEDLO C[NH+]1CCN(c2ncc(C=[NH+][N-]c3ccc(-c4nn[nH]n4)c(Cl)c3)cn2)CC1 ZINC000826045321 609470831 /nfs/dbraw/zinc/47/08/31/609470831.db2.gz UOYXGQQIGVGILY-UHFFFAOYSA-N 1 2 398.862 1.508 20 30 GDEDLO Cc1nc2ccc(Br)cc2c(=O)n1C[C@@H](O)C[N@H+](C)CCC#N ZINC000518979301 648616460 /nfs/dbraw/zinc/61/64/60/648616460.db2.gz HILALIMHFWJXFC-ZDUSSCGKSA-N 1 2 379.258 1.674 20 30 GDEDLO Cc1nc2ccc(Br)cc2c(=O)n1C[C@@H](O)C[N@@H+](C)CCC#N ZINC000518979301 648616463 /nfs/dbraw/zinc/61/64/63/648616463.db2.gz HILALIMHFWJXFC-ZDUSSCGKSA-N 1 2 379.258 1.674 20 30 GDEDLO CS(=O)(=O)N1CCN(c2ccc(NCc3nc(C#N)cs3)c[nH+]2)CC1 ZINC000589315846 652111989 /nfs/dbraw/zinc/11/19/89/652111989.db2.gz CYNBQKIORMFSPK-UHFFFAOYSA-N 1 2 378.483 1.103 20 30 GDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000602867891 652650715 /nfs/dbraw/zinc/65/07/15/652650715.db2.gz FKRBYCZQDZRUGU-ZDUSSCGKSA-N 1 2 384.889 1.065 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613633572 652958731 /nfs/dbraw/zinc/95/87/31/652958731.db2.gz GULWNCHVPLXZHI-LSDHHAIUSA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613633572 652958732 /nfs/dbraw/zinc/95/87/32/652958732.db2.gz GULWNCHVPLXZHI-LSDHHAIUSA-N 1 2 385.555 1.665 20 30 GDEDLO NS(=O)(=O)NC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000626035525 653047463 /nfs/dbraw/zinc/04/74/63/653047463.db2.gz RPWOQTOQKWDOGX-UHFFFAOYSA-N 1 2 377.388 1.194 20 30 GDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2cccc(Br)c2)nn1 ZINC000641196967 653562520 /nfs/dbraw/zinc/56/25/20/653562520.db2.gz UQOBISMXMZZPQO-HNNXBMFYSA-N 1 2 379.258 1.593 20 30 GDEDLO CC(=NNC1=[NH+]C[C@H](C)N1)c1nnn(-c2cccc(Br)c2)c1C ZINC000814897002 655275771 /nfs/dbraw/zinc/27/57/71/655275771.db2.gz CMOICQJJSWIEPS-VIFPVBQESA-N 1 2 376.262 2.000 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)s1 ZINC000820177622 655404342 /nfs/dbraw/zinc/40/43/42/655404342.db2.gz ZZBFDRCBLABGPV-CYBMUJFWSA-N 1 2 382.511 1.404 20 30 GDEDLO Cc1c(Br)c(C)n(NC(=O)[C@H]2CCn3c[nH+]cc3C2)c(=O)c1C#N ZINC000848376005 655488876 /nfs/dbraw/zinc/48/88/76/655488876.db2.gz JSKZUHITWCRUQD-NSHDSACASA-N 1 2 390.241 1.629 20 30 GDEDLO C#CCN1C(=O)C[C@@H]([NH+]2CCN(c3ccc(Br)cc3)CC2)C1=O ZINC000849181831 655520428 /nfs/dbraw/zinc/52/04/28/655520428.db2.gz WNWKIJZHAKNBHM-OAHLLOKOSA-N 1 2 376.254 1.332 20 30 GDEDLO CS(=O)(=O)N1CC[C@@H](CO[NH+]=C(N)c2ccc(Br)cc2)C1 ZINC000853685328 655647387 /nfs/dbraw/zinc/64/73/87/655647387.db2.gz TZZHLGAFHIZAPD-SNVBAGLBSA-N 1 2 376.276 1.368 20 30 GDEDLO C#CC[NH+]1CCN(c2nnc(COc3ccccc3Br)n2C)CC1 ZINC000871025576 656260853 /nfs/dbraw/zinc/26/08/53/656260853.db2.gz RWPWULWKWCCJSC-UHFFFAOYSA-N 1 2 390.285 1.912 20 30 GDEDLO C[C@]12C[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015845 656854544 /nfs/dbraw/zinc/85/45/44/656854544.db2.gz OJUCBQWQRSSSQR-XYPHTWIQSA-N 1 2 379.507 1.482 20 30 GDEDLO C[C@]12C[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015845 656854547 /nfs/dbraw/zinc/85/45/47/656854547.db2.gz OJUCBQWQRSSSQR-XYPHTWIQSA-N 1 2 379.507 1.482 20 30 GDEDLO CNS(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000880266593 656880099 /nfs/dbraw/zinc/88/00/99/656880099.db2.gz PBYPCZFKQTZTGZ-UHFFFAOYSA-N 1 2 376.507 1.850 20 30 GDEDLO N#Cc1nc(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000883099114 657270682 /nfs/dbraw/zinc/27/06/82/657270682.db2.gz JZHVDSCRKDOJBB-LLVKDONJSA-N 1 2 380.246 1.654 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000884335662 657348459 /nfs/dbraw/zinc/34/84/59/657348459.db2.gz ZCCLEPKVDHVWFJ-NWDGAFQWSA-N 1 2 387.205 1.585 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000891607150 658254930 /nfs/dbraw/zinc/25/49/30/658254930.db2.gz RETIMKLRBWVZLE-CYBMUJFWSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000891607150 658254937 /nfs/dbraw/zinc/25/49/37/658254937.db2.gz RETIMKLRBWVZLE-CYBMUJFWSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000891605529 658254997 /nfs/dbraw/zinc/25/49/97/658254997.db2.gz GWYQOHGJKCZDRN-AWEZNQCLSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000891605529 658254998 /nfs/dbraw/zinc/25/49/98/658254998.db2.gz GWYQOHGJKCZDRN-AWEZNQCLSA-N 1 2 378.270 1.910 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc(Cl)c1C#N ZINC001164703922 719845583 /nfs/dbraw/zinc/84/55/83/719845583.db2.gz REYKLFYYYQJSOX-YVEFUNNKSA-N 1 2 379.848 1.234 20 30 GDEDLO Cc1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C#N ZINC001164916980 721780673 /nfs/dbraw/zinc/78/06/73/721780673.db2.gz UMDOIJGUCNJMJM-NRFANRHFSA-N 1 2 379.464 1.765 20 30 GDEDLO Cc1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C#N ZINC001164916980 721780674 /nfs/dbraw/zinc/78/06/74/721780674.db2.gz UMDOIJGUCNJMJM-NRFANRHFSA-N 1 2 379.464 1.765 20 30 GDEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C[C@H](C)O2 ZINC001573295110 947009005 /nfs/dbraw/zinc/00/90/05/947009005.db2.gz MKGFPKBIGDMUAX-SJCJKPOMSA-N 1 2 391.863 1.253 20 30 GDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C[C@H](C)O2 ZINC001573295110 947009017 /nfs/dbraw/zinc/00/90/17/947009017.db2.gz MKGFPKBIGDMUAX-SJCJKPOMSA-N 1 2 391.863 1.253 20 30 GDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000179947397 530753738 /nfs/dbraw/zinc/75/37/38/530753738.db2.gz XORMMEFNDQHZSC-UHFFFAOYSA-N 1 2 398.959 1.734 20 30 GDEDLO C[C@@H](NC(=O)CO[NH+]=C(N)CN1CCOCC1)c1ccc(Br)cc1 ZINC000111181668 530873128 /nfs/dbraw/zinc/87/31/28/530873128.db2.gz YXKRYYJXDINEMT-GFCCVEGCSA-N 1 2 399.289 1.247 20 30 GDEDLO CS(=O)(=O)N[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000116994666 530910822 /nfs/dbraw/zinc/91/08/22/530910822.db2.gz QAAXZJAFJKQVQX-CQSZACIVSA-N 1 2 384.889 1.210 20 30 GDEDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000116994666 530910824 /nfs/dbraw/zinc/91/08/24/530910824.db2.gz QAAXZJAFJKQVQX-CQSZACIVSA-N 1 2 384.889 1.210 20 30 GDEDLO N#CCN1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000191638582 530951742 /nfs/dbraw/zinc/95/17/42/530951742.db2.gz JNMSWJXKPGIGKB-UHFFFAOYSA-N 1 2 379.302 1.927 20 30 GDEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 ZINC000123775521 530987638 /nfs/dbraw/zinc/98/76/38/530987638.db2.gz LFDYXGQIRXQWRT-HNNXBMFYSA-N 1 2 388.917 1.982 20 30 GDEDLO N#Cc1ccc([C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)C(N)=O)cc1 ZINC000155085686 531194924 /nfs/dbraw/zinc/19/49/24/531194924.db2.gz DKCKRFIEERWCBE-CQSZACIVSA-N 1 2 398.897 1.368 20 30 GDEDLO C=CCC[NH+]1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000265762991 531285657 /nfs/dbraw/zinc/28/56/57/531285657.db2.gz BMBVPWIJSHAZLW-UHFFFAOYSA-N 1 2 385.873 1.553 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292097430 531333737 /nfs/dbraw/zinc/33/37/37/531333737.db2.gz GAVSPNKJGDSXBY-AWEZNQCLSA-N 1 2 383.539 1.869 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292097430 531333743 /nfs/dbraw/zinc/33/37/43/531333743.db2.gz GAVSPNKJGDSXBY-AWEZNQCLSA-N 1 2 383.539 1.869 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000444733265 531403231 /nfs/dbraw/zinc/40/32/31/531403231.db2.gz MKGRKTJIFJTUHT-UKRRQHHQSA-N 1 2 376.400 1.967 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000444733265 531403239 /nfs/dbraw/zinc/40/32/39/531403239.db2.gz MKGRKTJIFJTUHT-UKRRQHHQSA-N 1 2 376.400 1.967 20 30 GDEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000267487611 531429119 /nfs/dbraw/zinc/42/91/19/531429119.db2.gz YVXXRASGEBXGFM-AAEUAGOBSA-N 1 2 387.889 1.205 20 30 GDEDLO C[N@H+](CCC#N)C[C@H](O)Cn1cnc2cc(F)c(Br)cc2c1=O ZINC000414145938 531432333 /nfs/dbraw/zinc/43/23/33/531432333.db2.gz KVZNHVMUOCZAIT-JTQLQIEISA-N 1 2 383.221 1.504 20 30 GDEDLO C[N@@H+](CCC#N)C[C@H](O)Cn1cnc2cc(F)c(Br)cc2c1=O ZINC000414145938 531432337 /nfs/dbraw/zinc/43/23/37/531432337.db2.gz KVZNHVMUOCZAIT-JTQLQIEISA-N 1 2 383.221 1.504 20 30 GDEDLO CCOc1cc(C#N)cc(Br)c1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000414139618 531432533 /nfs/dbraw/zinc/43/25/33/531432533.db2.gz KYMWQXKLXIKHIO-AWEZNQCLSA-N 1 2 398.301 1.707 20 30 GDEDLO N#Cc1ccc(SCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000363080564 531471426 /nfs/dbraw/zinc/47/14/26/531471426.db2.gz HATURJKJPFTUST-SFHVURJKSA-N 1 2 377.535 1.974 20 30 GDEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCO1 ZINC000550364246 531526547 /nfs/dbraw/zinc/52/65/47/531526547.db2.gz JHAGGRXBCXNZEY-LLVKDONJSA-N 1 2 395.257 1.096 20 30 GDEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCO1 ZINC000550364246 531526555 /nfs/dbraw/zinc/52/65/55/531526555.db2.gz JHAGGRXBCXNZEY-LLVKDONJSA-N 1 2 395.257 1.096 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000451303208 531585970 /nfs/dbraw/zinc/58/59/70/531585970.db2.gz QKUIQFCXJRJDJI-XJKSGUPXSA-N 1 2 383.901 1.747 20 30 GDEDLO C=CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H](C)COC ZINC000661241566 531646254 /nfs/dbraw/zinc/64/62/54/531646254.db2.gz BHUPXUPJLKEPTB-LLVKDONJSA-N 1 2 375.878 1.449 20 30 GDEDLO C=CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H](C)COC ZINC000661241566 531646260 /nfs/dbraw/zinc/64/62/60/531646260.db2.gz BHUPXUPJLKEPTB-LLVKDONJSA-N 1 2 375.878 1.449 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000560831000 531667987 /nfs/dbraw/zinc/66/79/87/531667987.db2.gz LTRNXPOPHYSHTD-OAHLLOKOSA-N 1 2 385.555 1.619 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000560831000 531667997 /nfs/dbraw/zinc/66/79/97/531667997.db2.gz LTRNXPOPHYSHTD-OAHLLOKOSA-N 1 2 385.555 1.619 20 30 GDEDLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148770 531766982 /nfs/dbraw/zinc/76/69/82/531766982.db2.gz BNFAADMNFYBGLE-ABAIWWIYSA-N 1 2 399.232 1.969 20 30 GDEDLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148770 531766992 /nfs/dbraw/zinc/76/69/92/531766992.db2.gz BNFAADMNFYBGLE-ABAIWWIYSA-N 1 2 399.232 1.969 20 30 GDEDLO Cc1cc(I)ccc1NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148794 531767872 /nfs/dbraw/zinc/76/78/72/531767872.db2.gz CADNYGZFAMMDHC-HNNXBMFYSA-N 1 2 399.232 1.889 20 30 GDEDLO Cc1cc(I)ccc1NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148794 531767876 /nfs/dbraw/zinc/76/78/76/531767876.db2.gz CADNYGZFAMMDHC-HNNXBMFYSA-N 1 2 399.232 1.889 20 30 GDEDLO N#Cc1sccc1S(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000593526370 531838640 /nfs/dbraw/zinc/83/86/40/531838640.db2.gz FTDNQYHTVPKOQM-HNNXBMFYSA-N 1 2 377.491 1.799 20 30 GDEDLO N#Cc1sccc1S(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000593526370 531838646 /nfs/dbraw/zinc/83/86/46/531838646.db2.gz FTDNQYHTVPKOQM-HNNXBMFYSA-N 1 2 377.491 1.799 20 30 GDEDLO Cc1cc(S(=O)(=O)N2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)c(C)s1 ZINC000598596299 531986936 /nfs/dbraw/zinc/98/69/36/531986936.db2.gz ZOYAXYVVKWAISV-HNNXBMFYSA-N 1 2 385.555 1.972 20 30 GDEDLO N#C[C@H](c1ccc(Br)cc1)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC000272700311 532110669 /nfs/dbraw/zinc/11/06/69/532110669.db2.gz WCDFPNGSONVSEI-GOSISDBHSA-N 1 2 393.329 1.964 20 30 GDEDLO N#Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1-c1nn[nH]n1 ZINC000737706732 599197984 /nfs/dbraw/zinc/19/79/84/599197984.db2.gz YMDPFBSVENJZAH-SFHVURJKSA-N 1 2 389.419 1.578 20 30 GDEDLO N#Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1-c1nn[nH]n1 ZINC000737706732 599197987 /nfs/dbraw/zinc/19/79/87/599197987.db2.gz YMDPFBSVENJZAH-SFHVURJKSA-N 1 2 389.419 1.578 20 30 GDEDLO N#Cc1nccnc1N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000737732518 598350184 /nfs/dbraw/zinc/35/01/84/598350184.db2.gz YYIFJMNUXULFHB-UHFFFAOYSA-N 1 2 384.407 1.403 20 30 GDEDLO C=CC[N@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903529 608252985 /nfs/dbraw/zinc/25/29/85/608252985.db2.gz CIDMVSCZYGHNCN-GOSISDBHSA-N 1 2 382.468 1.492 20 30 GDEDLO C=CC[N@@H+](CC(=O)N1CCOC[C@@H]1C1CC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823903529 608252987 /nfs/dbraw/zinc/25/29/87/608252987.db2.gz CIDMVSCZYGHNCN-GOSISDBHSA-N 1 2 382.468 1.492 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)s1 ZINC000369178871 645641310 /nfs/dbraw/zinc/64/13/10/645641310.db2.gz NYQLWZDMWZVFIN-HUUCEWRRSA-N 1 2 377.491 1.533 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)s1 ZINC000369178871 645641314 /nfs/dbraw/zinc/64/13/14/645641314.db2.gz NYQLWZDMWZVFIN-HUUCEWRRSA-N 1 2 377.491 1.533 20 30 GDEDLO N#CC1(NC(=O)C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CCC1 ZINC000602885596 652652564 /nfs/dbraw/zinc/65/25/64/652652564.db2.gz GOIHVMZLPBTGKB-ZDUSSCGKSA-N 1 2 379.258 1.860 20 30 GDEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CCC1 ZINC000602885596 652652568 /nfs/dbraw/zinc/65/25/68/652652568.db2.gz GOIHVMZLPBTGKB-ZDUSSCGKSA-N 1 2 379.258 1.860 20 30 GDEDLO C=C(Br)CNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775417510 654666214 /nfs/dbraw/zinc/66/62/14/654666214.db2.gz CZSAOIJZQXIJOM-LBPRGKRZSA-N 1 2 391.310 1.745 20 30 GDEDLO C=C(Br)CNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775417510 654666215 /nfs/dbraw/zinc/66/62/15/654666215.db2.gz CZSAOIJZQXIJOM-LBPRGKRZSA-N 1 2 391.310 1.745 20 30 GDEDLO C#CCOCCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000754261826 654969090 /nfs/dbraw/zinc/96/90/90/654969090.db2.gz FRPQPHLTFVUXLM-UHFFFAOYSA-N 1 2 379.258 1.897 20 30 GDEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2cc(Br)ccc2C#N)C1 ZINC000867375373 656048659 /nfs/dbraw/zinc/04/86/59/656048659.db2.gz AYFHYSSNEWTJSO-LBPRGKRZSA-N 1 2 375.244 1.360 20 30 GDEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2cc(Br)ccc2C#N)C1 ZINC000867375373 656048661 /nfs/dbraw/zinc/04/86/61/656048661.db2.gz AYFHYSSNEWTJSO-LBPRGKRZSA-N 1 2 375.244 1.360 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000923594186 656573939 /nfs/dbraw/zinc/57/39/39/656573939.db2.gz HILJERFJHJQEHM-ZDUSSCGKSA-N 1 2 389.253 1.737 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000923594186 656573944 /nfs/dbraw/zinc/57/39/44/656573944.db2.gz HILJERFJHJQEHM-ZDUSSCGKSA-N 1 2 389.253 1.737 20 30 GDEDLO C=CCCCN(CC)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000903692643 659375952 /nfs/dbraw/zinc/37/59/52/659375952.db2.gz ZUSCSXCQABWCRQ-UHFFFAOYSA-N 1 2 375.516 1.253 20 30 GDEDLO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ncc(Br)cn2)cc1 ZINC000905670184 659474307 /nfs/dbraw/zinc/47/43/07/659474307.db2.gz ZJDMIPIAHJSAES-CQSZACIVSA-N 1 2 377.242 1.835 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(Cl)c1C#N ZINC001164696991 719846394 /nfs/dbraw/zinc/84/63/94/719846394.db2.gz BKYXPUSANVIDLD-UGSOOPFHSA-N 1 2 378.860 1.839 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)cc(C#N)n1 ZINC001164698852 719850225 /nfs/dbraw/zinc/85/02/25/719850225.db2.gz DXEUUTMXSXYECU-QAPCUYQASA-N 1 2 378.860 1.839 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C#N)ccc1[N+](=O)[O-] ZINC001164703202 719853744 /nfs/dbraw/zinc/85/37/44/719853744.db2.gz PLHYDNMKMNONLK-KSSFIOAISA-N 1 2 389.412 1.094 20 30 GDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C#N)cn1)C2 ZINC001164824358 720427098 /nfs/dbraw/zinc/42/70/98/720427098.db2.gz KWCCNZWUEAEKDQ-QGZVFWFLSA-N 1 2 382.468 1.139 20 30 GDEDLO C=CCNC(=O)c1cccnc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010077 721714249 /nfs/dbraw/zinc/71/42/49/721714249.db2.gz YTILHIZNIGJALC-UHFFFAOYSA-N 1 2 383.500 1.839 20 30 GDEDLO C=CCNC(=O)c1cccnc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010077 721714255 /nfs/dbraw/zinc/71/42/55/721714255.db2.gz YTILHIZNIGJALC-UHFFFAOYSA-N 1 2 383.500 1.839 20 30 GDEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573292067 946929291 /nfs/dbraw/zinc/92/92/91/946929291.db2.gz NXDRNZZNMFYJJW-NSHDSACASA-N 1 2 380.250 1.298 20 30 GDEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573292067 946929299 /nfs/dbraw/zinc/92/92/99/946929299.db2.gz NXDRNZZNMFYJJW-NSHDSACASA-N 1 2 380.250 1.298 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(Br)c2C)CC1 ZINC000173080708 530623041 /nfs/dbraw/zinc/62/30/41/530623041.db2.gz XBQTYXSJCSFRJC-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(Br)c2C)CC1 ZINC000173080708 530623044 /nfs/dbraw/zinc/62/30/44/530623044.db2.gz XBQTYXSJCSFRJC-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO CN1CC[C@H]([NH+]2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O ZINC000181437340 530783774 /nfs/dbraw/zinc/78/37/74/530783774.db2.gz ABVRAMWCYDBRNZ-HOTGVXAUSA-N 1 2 377.286 1.862 20 30 GDEDLO Cc1cc(Br)ccc1NC(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000111182155 530872521 /nfs/dbraw/zinc/87/25/21/530872521.db2.gz RUYBEFQMOLXAOD-UHFFFAOYSA-N 1 2 385.262 1.317 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+]1CCO ZINC000188722826 530899616 /nfs/dbraw/zinc/89/96/16/530899616.db2.gz YRGMZOQNCZCPNO-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1CCO ZINC000188722826 530899618 /nfs/dbraw/zinc/89/96/18/530899618.db2.gz YRGMZOQNCZCPNO-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO N#Cc1cc(Br)cc(S(=O)(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000189100449 530906851 /nfs/dbraw/zinc/90/68/51/530906851.db2.gz MKCBURLXCVNZJL-UHFFFAOYSA-N 1 2 388.287 1.321 20 30 GDEDLO N#Cc1cc(Br)cc(S(=O)(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000189100449 530906855 /nfs/dbraw/zinc/90/68/55/530906855.db2.gz MKCBURLXCVNZJL-UHFFFAOYSA-N 1 2 388.287 1.321 20 30 GDEDLO C=CCNC(=O)CN1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000122210478 530967986 /nfs/dbraw/zinc/96/79/86/530967986.db2.gz PFUNEAOIFAREJZ-UHFFFAOYSA-N 1 2 392.301 1.517 20 30 GDEDLO Cn1nc(Br)c2c1nc[nH+]c2NCCCc1[nH]nc(N)c1C#N ZINC000263961082 531162583 /nfs/dbraw/zinc/16/25/83/531162583.db2.gz OZVNKMPKXUKZPY-UHFFFAOYSA-N 1 2 376.222 1.347 20 30 GDEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]1c1ccc(Cl)cc1 ZINC000409478824 531252542 /nfs/dbraw/zinc/25/25/42/531252542.db2.gz OBRYQGMZJZYTLM-OWCLPIDISA-N 1 2 384.889 1.144 20 30 GDEDLO C[N@H+]1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]1c1ccc(Cl)cc1 ZINC000409478824 531252547 /nfs/dbraw/zinc/25/25/47/531252547.db2.gz OBRYQGMZJZYTLM-OWCLPIDISA-N 1 2 384.889 1.144 20 30 GDEDLO C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccc(C#N)s3)c[nH+]2)CCO1 ZINC000435431544 531261833 /nfs/dbraw/zinc/26/18/33/531261833.db2.gz DTQOKIQQLSEBDH-GFCCVEGCSA-N 1 2 378.479 1.718 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(F)c2Br)CC1 ZINC000293129027 531403220 /nfs/dbraw/zinc/40/32/20/531403220.db2.gz QXJATIWRWWKXEG-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(F)c2Br)CC1 ZINC000293129027 531403228 /nfs/dbraw/zinc/40/32/28/531403228.db2.gz QXJATIWRWWKXEG-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C[C@H]1C[NH+]=C(N2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)S1 ZINC000267645002 531441111 /nfs/dbraw/zinc/44/11/11/531441111.db2.gz WMIWZXSNYNTWIH-JSGCOSHPSA-N 1 2 375.523 1.834 20 30 GDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)COc1cccc(Br)c1C#N ZINC000449852631 531479726 /nfs/dbraw/zinc/47/97/26/531479726.db2.gz ZBEBKUIHJVFQNU-ZDUSSCGKSA-N 1 2 395.301 1.452 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000365274469 531635567 /nfs/dbraw/zinc/63/55/67/531635567.db2.gz JFXLNOYJGNVMNV-HOCLYGCPSA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000365274469 531635574 /nfs/dbraw/zinc/63/55/74/531635574.db2.gz JFXLNOYJGNVMNV-HOCLYGCPSA-N 1 2 385.555 1.665 20 30 GDEDLO COCC(COC)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000416572413 531682798 /nfs/dbraw/zinc/68/27/98/531682798.db2.gz QOABHTBLDCPACV-UHFFFAOYSA-N 1 2 387.889 1.179 20 30 GDEDLO N#Cc1sccc1S(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000593526371 531839466 /nfs/dbraw/zinc/83/94/66/531839466.db2.gz FTDNQYHTVPKOQM-OAHLLOKOSA-N 1 2 377.491 1.799 20 30 GDEDLO N#Cc1sccc1S(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000593526371 531839471 /nfs/dbraw/zinc/83/94/71/531839471.db2.gz FTDNQYHTVPKOQM-OAHLLOKOSA-N 1 2 377.491 1.799 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cn3ccc(Br)cc3n2)CC1 ZINC000577313020 532033797 /nfs/dbraw/zinc/03/37/97/532033797.db2.gz KJPOXMWJFFCXMR-UHFFFAOYSA-N 1 2 392.301 1.517 20 30 GDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@@H]21 ZINC000329463256 532104294 /nfs/dbraw/zinc/10/42/94/532104294.db2.gz UIJNDLALMULLLP-STQMWFEESA-N 1 2 392.257 1.953 20 30 GDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@@H]21 ZINC000329463256 532104298 /nfs/dbraw/zinc/10/42/98/532104298.db2.gz UIJNDLALMULLLP-STQMWFEESA-N 1 2 392.257 1.953 20 30 GDEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C[C@@H](C)O1 ZINC000331104278 532136567 /nfs/dbraw/zinc/13/65/67/532136567.db2.gz HTXAOGOCOBOKLG-KFWWJZLASA-N 1 2 375.535 1.155 20 30 GDEDLO COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3Br)CC[C@@H]21 ZINC000332563940 532195183 /nfs/dbraw/zinc/19/51/83/532195183.db2.gz AEEXFFRWAHIEFY-CVEARBPZSA-N 1 2 393.285 1.935 20 30 GDEDLO COCCN1C(=O)N[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Br)CC[C@@H]21 ZINC000332563940 532195188 /nfs/dbraw/zinc/19/51/88/532195188.db2.gz AEEXFFRWAHIEFY-CVEARBPZSA-N 1 2 393.285 1.935 20 30 GDEDLO N#Cc1cccc([C@H]2C[N@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386473 608069738 /nfs/dbraw/zinc/06/97/38/608069738.db2.gz GPLOEAYGIZHRCM-RTBURBONSA-N 1 2 376.420 1.845 20 30 GDEDLO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386473 608069739 /nfs/dbraw/zinc/06/97/39/608069739.db2.gz GPLOEAYGIZHRCM-RTBURBONSA-N 1 2 376.420 1.845 20 30 GDEDLO C[N@@H+]1CCO[C@@H](CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000328720648 645274064 /nfs/dbraw/zinc/27/40/64/645274064.db2.gz WHXSMKLUVDPDFD-ZDUSSCGKSA-N 1 2 387.527 1.558 20 30 GDEDLO C[N@H+]1CCO[C@@H](CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000328720648 645274068 /nfs/dbraw/zinc/27/40/68/645274068.db2.gz WHXSMKLUVDPDFD-ZDUSSCGKSA-N 1 2 387.527 1.558 20 30 GDEDLO N#CCC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000574336729 651534047 /nfs/dbraw/zinc/53/40/47/651534047.db2.gz ITQWXLBWXVVRKD-CQSZACIVSA-N 1 2 382.258 1.247 20 30 GDEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000594754504 652355621 /nfs/dbraw/zinc/35/56/21/652355621.db2.gz RFKMZECQQZVODY-AWEZNQCLSA-N 1 2 378.523 1.606 20 30 GDEDLO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000594754504 652355625 /nfs/dbraw/zinc/35/56/25/652355625.db2.gz RFKMZECQQZVODY-AWEZNQCLSA-N 1 2 378.523 1.606 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)cc1Br ZINC000601967333 652611896 /nfs/dbraw/zinc/61/18/96/652611896.db2.gz HMGGWMDTRYARQK-LLVKDONJSA-N 1 2 381.255 1.811 20 30 GDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000730096512 654925248 /nfs/dbraw/zinc/92/52/48/654925248.db2.gz VJVOZZIZQUXJEY-HNNXBMFYSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(Br)cc1C ZINC000730096512 654925253 /nfs/dbraw/zinc/92/52/53/654925253.db2.gz VJVOZZIZQUXJEY-HNNXBMFYSA-N 1 2 378.270 1.910 20 30 GDEDLO CN(C)c1[nH+]cc(CN=Nc2ncnc3c2c(Br)nn3C)n1C ZINC000811641144 655201434 /nfs/dbraw/zinc/20/14/34/655201434.db2.gz PJXGZEKCJBIWAG-UHFFFAOYSA-N 1 2 378.238 1.371 20 30 GDEDLO Cc1c(Br)c(C)n(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c(=O)c1C#N ZINC000848375087 655488587 /nfs/dbraw/zinc/48/85/87/655488587.db2.gz GHRYYVOOSJKLMI-NSHDSACASA-N 1 2 390.241 1.629 20 30 GDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)c3cc(Br)no3)C2)nc1 ZINC000878642342 656739679 /nfs/dbraw/zinc/73/96/79/656739679.db2.gz ZZLVMDDHZJVENA-VXGBXAGGSA-N 1 2 379.214 1.890 20 30 GDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)c3cc(Br)no3)C2)nc1 ZINC000878642342 656739682 /nfs/dbraw/zinc/73/96/82/656739682.db2.gz ZZLVMDDHZJVENA-VXGBXAGGSA-N 1 2 379.214 1.890 20 30 GDEDLO N#CC1(NC(=O)C[NH2+][C@@H](CO)c2ccccc2I)CCC1 ZINC000934826315 657379567 /nfs/dbraw/zinc/37/95/67/657379567.db2.gz CXJXKPOCVLLVCQ-ZDUSSCGKSA-N 1 2 399.232 1.477 20 30 GDEDLO C=CCOc1cc(C)nc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)n1 ZINC001164641994 719274772 /nfs/dbraw/zinc/27/47/72/719274772.db2.gz VWHPFMFWUNQZOG-UHFFFAOYSA-N 1 2 389.500 1.109 20 30 GDEDLO C=CCOc1cc(C)nc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)n1 ZINC001164641994 719274777 /nfs/dbraw/zinc/27/47/77/719274777.db2.gz VWHPFMFWUNQZOG-UHFFFAOYSA-N 1 2 389.500 1.109 20 30 GDEDLO C=CCOc1cc(C)nc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164706572 719855607 /nfs/dbraw/zinc/85/56/07/719855607.db2.gz YBDOARWMJHXAGX-OXJNMPFZSA-N 1 2 390.484 1.583 20 30 GDEDLO N#Cc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(F)c1 ZINC001164914360 721790487 /nfs/dbraw/zinc/79/04/87/721790487.db2.gz CLJWIENFDCUMGU-HXUWFJFHSA-N 1 2 383.427 1.595 20 30 GDEDLO N#Cc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(F)c1 ZINC001164914360 721790489 /nfs/dbraw/zinc/79/04/89/721790489.db2.gz CLJWIENFDCUMGU-HXUWFJFHSA-N 1 2 383.427 1.595 20 30 GDEDLO C[C@H](c1cccc(Nc2cnc(C#N)c(-c3nn[nH]n3)n2)c1)[NH+]1CCOCC1 ZINC001575511620 949133440 /nfs/dbraw/zinc/13/34/40/949133440.db2.gz KOQCWMYWLDJTIH-GFCCVEGCSA-N 1 2 377.412 1.665 20 30 GDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)CC1 ZINC000171596094 530601199 /nfs/dbraw/zinc/60/11/99/530601199.db2.gz SIOVMQYOBWPUBW-UHFFFAOYSA-N 1 2 386.539 1.636 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)Nc1ccc(Br)cn1 ZINC000174830627 530655402 /nfs/dbraw/zinc/65/54/02/530655402.db2.gz WLYPDXOJNPQTSE-UHFFFAOYSA-N 1 2 396.289 1.330 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120993579 530948383 /nfs/dbraw/zinc/94/83/83/530948383.db2.gz ZBDVCJSFBSIRTG-INIZCTEOSA-N 1 2 377.286 1.934 20 30 GDEDLO C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120985270 530948398 /nfs/dbraw/zinc/94/83/98/530948398.db2.gz SHDNDMLGEMMFDJ-RHSMWYFYSA-N 1 2 389.297 1.769 20 30 GDEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)Nc1cccc(I)c1 ZINC000121310463 530954462 /nfs/dbraw/zinc/95/44/62/530954462.db2.gz YVSKMNASVPNTGD-MRVPVSSYSA-N 1 2 377.182 1.289 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000264898411 531208686 /nfs/dbraw/zinc/20/86/86/531208686.db2.gz DWKUOQNRRHPSKV-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)ccc2Br)CC1 ZINC000264898411 531208689 /nfs/dbraw/zinc/20/86/89/531208689.db2.gz DWKUOQNRRHPSKV-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO N#Cc1cc(Br)cnc1NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000450261159 531491581 /nfs/dbraw/zinc/49/15/81/531491581.db2.gz HCFPPROKBGCROO-UHFFFAOYSA-N 1 2 388.273 1.740 20 30 GDEDLO CC[C@H]1C[N@H+](CCNC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000451238109 531573651 /nfs/dbraw/zinc/57/36/51/531573651.db2.gz CUQSDUWTUNYDFL-ZDUSSCGKSA-N 1 2 396.285 1.927 20 30 GDEDLO CC[C@H]1C[N@@H+](CCNC(=O)COc2cccc(Br)c2C#N)CCO1 ZINC000451238109 531573661 /nfs/dbraw/zinc/57/36/61/531573661.db2.gz CUQSDUWTUNYDFL-ZDUSSCGKSA-N 1 2 396.285 1.927 20 30 GDEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000451274404 531579522 /nfs/dbraw/zinc/57/95/22/531579522.db2.gz XHDAOTKFSHVZKO-HIFRSBDPSA-N 1 2 385.917 1.872 20 30 GDEDLO CC[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000451274404 531579527 /nfs/dbraw/zinc/57/95/27/531579527.db2.gz XHDAOTKFSHVZKO-HIFRSBDPSA-N 1 2 385.917 1.872 20 30 GDEDLO C#CC[N@H+](CC(=O)N1CCNC1=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000365205188 531627239 /nfs/dbraw/zinc/62/72/39/531627239.db2.gz BDRLIVYFUTYDCW-AWEZNQCLSA-N 1 2 392.253 1.760 20 30 GDEDLO C#CC[N@@H+](CC(=O)N1CCNC1=O)[C@H]1CCOc2ccc(Br)cc21 ZINC000365205188 531627247 /nfs/dbraw/zinc/62/72/47/531627247.db2.gz BDRLIVYFUTYDCW-AWEZNQCLSA-N 1 2 392.253 1.760 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000619004295 531700764 /nfs/dbraw/zinc/70/07/64/531700764.db2.gz RTAPZHNVZKLTGQ-LLVKDONJSA-N 1 2 381.255 1.811 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000619004296 531701151 /nfs/dbraw/zinc/70/11/51/531701151.db2.gz RTAPZHNVZKLTGQ-NSHDSACASA-N 1 2 381.255 1.811 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000619712238 531717175 /nfs/dbraw/zinc/71/71/75/531717175.db2.gz KUDZDJXQAHRSBQ-YGRLFVJLSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000619712238 531717183 /nfs/dbraw/zinc/71/71/83/531717183.db2.gz KUDZDJXQAHRSBQ-YGRLFVJLSA-N 1 2 377.388 1.574 20 30 GDEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@](O)(CC#N)C3)[nH+]c12 ZINC000592009648 531747966 /nfs/dbraw/zinc/74/79/66/531747966.db2.gz GYAHUJBXIAMZQZ-INIZCTEOSA-N 1 2 392.257 1.965 20 30 GDEDLO CC(C)(C#N)C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000598587702 531987304 /nfs/dbraw/zinc/98/73/04/531987304.db2.gz TXLGWGPYOKFDFB-HNNXBMFYSA-N 1 2 385.917 1.947 20 30 GDEDLO CNC(=O)c1cccc(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1Br ZINC000329471520 532104396 /nfs/dbraw/zinc/10/43/96/532104396.db2.gz ZODQJZFWYCYYIK-STQMWFEESA-N 1 2 397.273 1.944 20 30 GDEDLO CNC(=O)c1cccc(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1Br ZINC000329471520 532104399 /nfs/dbraw/zinc/10/43/99/532104399.db2.gz ZODQJZFWYCYYIK-STQMWFEESA-N 1 2 397.273 1.944 20 30 GDEDLO C=CCS(=O)(=O)CC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000289500004 532326137 /nfs/dbraw/zinc/32/61/37/532326137.db2.gz LYFGETSNASUMOC-UHFFFAOYSA-N 1 2 385.287 1.720 20 30 GDEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000290044207 532335853 /nfs/dbraw/zinc/33/58/53/532335853.db2.gz UVVSBUSWHVHFMP-INIZCTEOSA-N 1 2 392.301 1.657 20 30 GDEDLO CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735690257 598766696 /nfs/dbraw/zinc/76/66/96/598766696.db2.gz HXOIOGKSLCKPIW-HXUWFJFHSA-N 1 2 397.483 1.764 20 30 GDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000820803758 606778355 /nfs/dbraw/zinc/77/83/55/606778355.db2.gz GVFHPDZRYLTMIV-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000820803758 606778356 /nfs/dbraw/zinc/77/83/56/606778356.db2.gz GVFHPDZRYLTMIV-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820804395 606979530 /nfs/dbraw/zinc/97/95/30/606979530.db2.gz RSIJWEZJOCMHRC-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000820804395 606979533 /nfs/dbraw/zinc/97/95/33/606979533.db2.gz RSIJWEZJOCMHRC-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000826380127 609141624 /nfs/dbraw/zinc/14/16/24/609141624.db2.gz OIWXCAHLFODFLX-GOSISDBHSA-N 1 2 378.415 1.783 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(c2ncnc3nc(SC)sc32)CC1 ZINC000301954270 645238027 /nfs/dbraw/zinc/23/80/27/645238027.db2.gz 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N#Cc1ccsc1NC(=O)C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000602882594 652651753 /nfs/dbraw/zinc/65/17/53/652651753.db2.gz NQBPBMUZTGFUOP-OAHLLOKOSA-N 1 2 380.539 1.698 20 30 GDEDLO N#Cc1ccsc1NC(=O)C[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000602882594 652651755 /nfs/dbraw/zinc/65/17/55/652651755.db2.gz NQBPBMUZTGFUOP-OAHLLOKOSA-N 1 2 380.539 1.698 20 30 GDEDLO C=CC[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000625701338 653042999 /nfs/dbraw/zinc/04/29/99/653042999.db2.gz JEDLXYDVHLYCIK-HNNXBMFYSA-N 1 2 386.539 1.609 20 30 GDEDLO C=CC[C@H]1CC[N@H+](CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 ZINC000625701338 653043001 /nfs/dbraw/zinc/04/30/01/653043001.db2.gz JEDLXYDVHLYCIK-HNNXBMFYSA-N 1 2 386.539 1.609 20 30 GDEDLO C#CCC[NH+]1CCN(C(=O)CSc2nnc(-c3cccs3)n2C)CC1 ZINC000726771104 654857242 /nfs/dbraw/zinc/85/72/42/654857242.db2.gz ATSXUYQZQXCBDN-UHFFFAOYSA-N 1 2 375.523 1.803 20 30 GDEDLO C#CCOCC[NH+]1CCN(C(=O)c2ccccc2I)CC1 ZINC000851733240 655592925 /nfs/dbraw/zinc/59/29/25/655592925.db2.gz 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C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000891606487 658254776 /nfs/dbraw/zinc/25/47/76/658254776.db2.gz NWKHHYYORFOZDG-AWEZNQCLSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000891606487 658254783 /nfs/dbraw/zinc/25/47/83/658254783.db2.gz NWKHHYYORFOZDG-AWEZNQCLSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000891608572 658255653 /nfs/dbraw/zinc/25/56/53/658255653.db2.gz ZSSWGFMEYYJXQA-LBPRGKRZSA-N 1 2 382.233 1.741 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2Br)C1 ZINC000891608572 658255657 /nfs/dbraw/zinc/25/56/57/658255657.db2.gz ZSSWGFMEYYJXQA-LBPRGKRZSA-N 1 2 382.233 1.741 20 30 GDEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc(C)c3C#N)CC2)C1=O ZINC001164633720 719268567 /nfs/dbraw/zinc/26/85/67/719268567.db2.gz HDVPXCUOTVKELL-UHFFFAOYSA-N 1 2 391.903 1.675 20 30 GDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc(C)c3C#N)CC2)C1=O ZINC001164633720 719268571 /nfs/dbraw/zinc/26/85/71/719268571.db2.gz HDVPXCUOTVKELL-UHFFFAOYSA-N 1 2 391.903 1.675 20 30 GDEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(C)c(C#N)cc3Cl)CC2)C1=O ZINC001164644976 719284879 /nfs/dbraw/zinc/28/48/79/719284879.db2.gz YOUNHWFOKPUFCL-UHFFFAOYSA-N 1 2 391.903 1.675 20 30 GDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C)c(C#N)cc3Cl)CC2)C1=O ZINC001164644976 719284881 /nfs/dbraw/zinc/28/48/81/719284881.db2.gz YOUNHWFOKPUFCL-UHFFFAOYSA-N 1 2 391.903 1.675 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(C#N)c[nH]c2n1 ZINC001164701120 719857604 /nfs/dbraw/zinc/85/76/04/719857604.db2.gz JLOHGADNSAPUEH-MGPUTAFESA-N 1 2 383.452 1.667 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000823914178 946516233 /nfs/dbraw/zinc/51/62/33/946516233.db2.gz CHYGOAQHWYLNHV-KRWDZBQOSA-N 1 2 392.467 1.562 20 30 GDEDLO C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573292066 946928131 /nfs/dbraw/zinc/92/81/31/946928131.db2.gz NXDRNZZNMFYJJW-LLVKDONJSA-N 1 2 380.250 1.298 20 30 GDEDLO C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573292066 946928137 /nfs/dbraw/zinc/92/81/37/946928137.db2.gz NXDRNZZNMFYJJW-LLVKDONJSA-N 1 2 380.250 1.298 20 30 GDEDLO C=CCCCC(=O)N[C@@H]1COC2(C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001573333804 947441835 /nfs/dbraw/zinc/44/18/35/947441835.db2.gz FSJPYRVKWSIESN-INIZCTEOSA-N 1 2 382.468 1.683 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000069868217 530799835 /nfs/dbraw/zinc/79/98/35/530799835.db2.gz CEBAXLRLRIKAMO-CQSZACIVSA-N 1 2 383.901 1.945 20 30 GDEDLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000185434705 530841515 /nfs/dbraw/zinc/84/15/15/530841515.db2.gz JKFILXFNHJHPNW-UHFFFAOYSA-N 1 2 384.933 1.906 20 30 GDEDLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000185433370 530841980 /nfs/dbraw/zinc/84/19/80/530841980.db2.gz SMVNUHCIAOPVAG-UHFFFAOYSA-N 1 2 384.933 1.906 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC000190656193 530934977 /nfs/dbraw/zinc/93/49/77/530934977.db2.gz OOITYSJUKJQZRV-UHFFFAOYSA-N 1 2 376.869 1.943 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC000190656193 530934981 /nfs/dbraw/zinc/93/49/81/530934981.db2.gz OOITYSJUKJQZRV-UHFFFAOYSA-N 1 2 376.869 1.943 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000125780308 531010551 /nfs/dbraw/zinc/01/05/51/531010551.db2.gz WTNZPFVIGAAAQF-GXFFZTMASA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000125780308 531010554 /nfs/dbraw/zinc/01/05/54/531010554.db2.gz WTNZPFVIGAAAQF-GXFFZTMASA-N 1 2 377.388 1.574 20 30 GDEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265181542 531232283 /nfs/dbraw/zinc/23/22/83/531232283.db2.gz GTSKLBNCPCUGGO-CYBMUJFWSA-N 1 2 382.511 1.241 20 30 GDEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265181542 531232287 /nfs/dbraw/zinc/23/22/87/531232287.db2.gz GTSKLBNCPCUGGO-CYBMUJFWSA-N 1 2 382.511 1.241 20 30 GDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440406373 531336920 /nfs/dbraw/zinc/33/69/20/531336920.db2.gz XILZMIMUXWAKMN-AWEZNQCLSA-N 1 2 376.400 1.950 20 30 GDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000440406373 531336927 /nfs/dbraw/zinc/33/69/27/531336927.db2.gz XILZMIMUXWAKMN-AWEZNQCLSA-N 1 2 376.400 1.950 20 30 GDEDLO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292094570 531333821 /nfs/dbraw/zinc/33/38/21/531333821.db2.gz FTUKGOOGOGZQMC-AWEZNQCLSA-N 1 2 376.400 1.902 20 30 GDEDLO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292094570 531333825 /nfs/dbraw/zinc/33/38/25/531333825.db2.gz FTUKGOOGOGZQMC-AWEZNQCLSA-N 1 2 376.400 1.902 20 30 GDEDLO C[C@H]([C@H](C)NC(=O)COc1cccc(Br)c1C#N)[NH+]1CCOCC1 ZINC000449846500 531479552 /nfs/dbraw/zinc/47/95/52/531479552.db2.gz YTEPEYUMHGQQDB-QWHCGFSZSA-N 1 2 396.285 1.925 20 30 GDEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 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382.873 1.983 20 30 GDEDLO N#Cc1cc(Br)cnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000296533257 531702079 /nfs/dbraw/zinc/70/20/79/531702079.db2.gz NKDNSJFIIBORFB-UHFFFAOYSA-N 1 2 392.301 1.850 20 30 GDEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000452098729 531762481 /nfs/dbraw/zinc/76/24/81/531762481.db2.gz BDSLSBKXUABBCX-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000452098729 531762484 /nfs/dbraw/zinc/76/24/84/531762484.db2.gz BDSLSBKXUABBCX-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000419348532 531927003 /nfs/dbraw/zinc/92/70/03/531927003.db2.gz BHBWFYGFOKNGAM-CQSZACIVSA-N 1 2 380.242 1.574 20 30 GDEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000419348532 531927008 /nfs/dbraw/zinc/92/70/08/531927008.db2.gz BHBWFYGFOKNGAM-CQSZACIVSA-N 1 2 380.242 1.574 20 30 GDEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000419348715 531925851 /nfs/dbraw/zinc/92/58/51/531925851.db2.gz BUGLKENCLQOJJI-AWEZNQCLSA-N 1 2 380.242 1.574 20 30 GDEDLO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000419348715 531925859 /nfs/dbraw/zinc/92/58/59/531925859.db2.gz BUGLKENCLQOJJI-AWEZNQCLSA-N 1 2 380.242 1.574 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(O)cc(Br)c1 ZINC000599230806 532015715 /nfs/dbraw/zinc/01/57/15/532015715.db2.gz WVUNCFVGPZECET-UHFFFAOYSA-N 1 2 382.258 1.843 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(n3cc(Cl)cn3)CC2)nc1 ZINC000377485919 532262165 /nfs/dbraw/zinc/26/21/65/532262165.db2.gz ANQYCTMFSCRUBO-UHFFFAOYSA-N 1 2 379.873 1.914 20 30 GDEDLO Cn1c[nH+]cc1[C@H]1[C@H](NC(=O)N2CCn3ccnc3C2)CCC(=O)N1C1CC1 ZINC000329351610 570462968 /nfs/dbraw/zinc/46/29/68/570462968.db2.gz UESBPUVLGZKWAC-RDTXWAMCSA-N 1 2 383.456 1.241 20 30 GDEDLO NC(=[NH+]OCc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1)c1ccc(F)cc1 ZINC000822850655 599383476 /nfs/dbraw/zinc/38/34/76/599383476.db2.gz MNBQPFSWVZIZFU-UHFFFAOYSA-N 1 2 380.343 1.893 20 30 GDEDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000329250718 645305029 /nfs/dbraw/zinc/30/50/29/645305029.db2.gz XTSGETYMUJZVOK-OLZOCXBDSA-N 1 2 387.527 1.361 20 30 GDEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1ccn(CC(F)F)n1 ZINC000330142964 645344355 /nfs/dbraw/zinc/34/43/55/645344355.db2.gz YOCGRPSCQVSJGZ-OAHLLOKOSA-N 1 2 375.445 1.682 20 30 GDEDLO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cc(C#N)cs1 ZINC000421386447 646007852 /nfs/dbraw/zinc/00/78/52/646007852.db2.gz OCCKAMDFRSDGEA-UHFFFAOYSA-N 1 2 380.451 1.938 20 30 GDEDLO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cc(C#N)cs1 ZINC000421386447 646007856 /nfs/dbraw/zinc/00/78/56/646007856.db2.gz OCCKAMDFRSDGEA-UHFFFAOYSA-N 1 2 380.451 1.938 20 30 GDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000921437514 660300461 /nfs/dbraw/zinc/30/04/61/660300461.db2.gz ZJSJVLCQRBBPKB-UHFFFAOYSA-N 1 2 392.706 1.873 20 30 GDEDLO Cn1ncc(Br)c1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000601966470 652611835 /nfs/dbraw/zinc/61/18/35/652611835.db2.gz DZJYLHXZPROHPB-UHFFFAOYSA-N 1 2 383.271 1.618 20 30 GDEDLO CN(CCC#N)S(=O)(=O)N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000619796237 652989483 /nfs/dbraw/zinc/98/94/83/652989483.db2.gz OPBJGDNCQJOXFH-AWEZNQCLSA-N 1 2 383.543 1.520 20 30 GDEDLO CN(CCC#N)S(=O)(=O)N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000619796237 652989484 /nfs/dbraw/zinc/98/94/84/652989484.db2.gz OPBJGDNCQJOXFH-AWEZNQCLSA-N 1 2 383.543 1.520 20 30 GDEDLO CCS(=O)(=O)C=C(C)NNc1ccc(S(=O)(=O)NC2CCCC2)c[nH+]1 ZINC000733745098 654521484 /nfs/dbraw/zinc/52/14/84/654521484.db2.gz ZHUZJJOJKSINLX-UHFFFAOYSA-N 1 2 388.515 1.525 20 30 GDEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335492 655612639 /nfs/dbraw/zinc/61/26/39/655612639.db2.gz HYMSJTQKQHIXLR-UMNHJUIQSA-N 1 2 378.108 1.952 20 30 GDEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br ZINC000852335492 655612641 /nfs/dbraw/zinc/61/26/41/655612641.db2.gz HYMSJTQKQHIXLR-UMNHJUIQSA-N 1 2 378.108 1.952 20 30 GDEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000865171059 655913697 /nfs/dbraw/zinc/91/36/97/655913697.db2.gz IAIVWLMKEHASSQ-KGLIPLIRSA-N 1 2 375.897 1.859 20 30 GDEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000865171059 655913698 /nfs/dbraw/zinc/91/36/98/655913698.db2.gz IAIVWLMKEHASSQ-KGLIPLIRSA-N 1 2 375.897 1.859 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000884450998 657358228 /nfs/dbraw/zinc/35/82/28/657358228.db2.gz ZONRTEJUQIWSDW-DDUYRFODSA-N 1 2 379.254 1.650 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2ncc(I)s2)C1 ZINC000902729694 659276767 /nfs/dbraw/zinc/27/67/67/659276767.db2.gz LMICMDTZGIJOEC-VIFPVBQESA-N 1 2 375.235 1.575 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ncc(I)s2)C1 ZINC000902729694 659276778 /nfs/dbraw/zinc/27/67/78/659276778.db2.gz LMICMDTZGIJOEC-VIFPVBQESA-N 1 2 375.235 1.575 20 30 GDEDLO C#CCC[NH+]1CCC(NS(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1 ZINC000906068758 659516723 /nfs/dbraw/zinc/51/67/23/659516723.db2.gz XTANQXUYJKXHFH-XMMPIXPASA-N 1 2 387.502 1.605 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)c(F)cc1C#N ZINC001164702753 719839225 /nfs/dbraw/zinc/83/92/25/719839225.db2.gz PMYUJAFYCKEJCP-UGSOOPFHSA-N 1 2 396.850 1.978 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(Cl)cc1C#N ZINC001164701744 719863421 /nfs/dbraw/zinc/86/34/21/719863421.db2.gz HGXZLJVMLYOVJW-QAPCUYQASA-N 1 2 378.860 1.839 20 30 GDEDLO Cc1ccnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1C#N ZINC001164823444 720434834 /nfs/dbraw/zinc/43/48/34/720434834.db2.gz JYHFWLYMSOQVCV-QGZVFWFLSA-N 1 2 396.495 1.448 20 30 GDEDLO C=C(Br)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573291547 946921690 /nfs/dbraw/zinc/92/16/90/946921690.db2.gz FQORSWSTRSDFMD-PRHODGIISA-N 1 2 380.250 1.154 20 30 GDEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573291547 946921697 /nfs/dbraw/zinc/92/16/97/946921697.db2.gz FQORSWSTRSDFMD-PRHODGIISA-N 1 2 380.250 1.154 20 30 GDEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573291828 946925106 /nfs/dbraw/zinc/92/51/06/946925106.db2.gz KAYSZIKLDYVBCE-SNVBAGLBSA-N 1 2 382.266 1.544 20 30 GDEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573291828 946925109 /nfs/dbraw/zinc/92/51/09/946925109.db2.gz KAYSZIKLDYVBCE-SNVBAGLBSA-N 1 2 382.266 1.544 20 30 GDEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573295621 947026384 /nfs/dbraw/zinc/02/63/84/947026384.db2.gz SHXFZGGGXUKQOW-SNVBAGLBSA-N 1 2 385.806 1.634 20 30 GDEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573295621 947026389 /nfs/dbraw/zinc/02/63/89/947026389.db2.gz SHXFZGGGXUKQOW-SNVBAGLBSA-N 1 2 385.806 1.634 20 30 GDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]2O)C1 ZINC001573296439 947048796 /nfs/dbraw/zinc/04/87/96/947048796.db2.gz QNBMKSSAQOUPKS-HZPDHXFCSA-N 1 2 386.431 1.023 20 30 GDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]2O)C1 ZINC001573296439 947048804 /nfs/dbraw/zinc/04/88/04/947048804.db2.gz QNBMKSSAQOUPKS-HZPDHXFCSA-N 1 2 386.431 1.023 20 30 GDEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1ccc(C#N)cc1Br ZINC000181115927 530778657 /nfs/dbraw/zinc/77/86/57/530778657.db2.gz FZQRZVHMXMMOKU-UHFFFAOYSA-N 1 2 396.285 1.628 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@@H+]1CCO ZINC000188733199 530900146 /nfs/dbraw/zinc/90/01/46/530900146.db2.gz VYHFLRPDEOUXNC-LLVKDONJSA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@H+]1CCO ZINC000188733199 530900148 /nfs/dbraw/zinc/90/01/48/530900148.db2.gz VYHFLRPDEOUXNC-LLVKDONJSA-N 1 2 388.287 1.008 20 30 GDEDLO C#CCN(C)C(=O)c1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1Cl ZINC000190999383 530941739 /nfs/dbraw/zinc/94/17/39/530941739.db2.gz ARRAZBTUJSCNJQ-UHFFFAOYSA-N 1 2 383.901 1.371 20 30 GDEDLO CCOc1cc(C#N)cc(Br)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000153405503 531166773 /nfs/dbraw/zinc/16/67/73/531166773.db2.gz CZABIJMRQCZDOL-CYBMUJFWSA-N 1 2 385.258 1.791 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000264203426 531173526 /nfs/dbraw/zinc/17/35/26/531173526.db2.gz UFPIFCSAHBINDN-UHFFFAOYSA-N 1 2 382.291 1.820 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000264203426 531173529 /nfs/dbraw/zinc/17/35/29/531173529.db2.gz UFPIFCSAHBINDN-UHFFFAOYSA-N 1 2 382.291 1.820 20 30 GDEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1ccc(Cl)cc1 ZINC000409478815 531252801 /nfs/dbraw/zinc/25/28/01/531252801.db2.gz OBRYQGMZJZYTLM-HRCADAONSA-N 1 2 384.889 1.144 20 30 GDEDLO C[N@H+]1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1ccc(Cl)cc1 ZINC000409478815 531252804 /nfs/dbraw/zinc/25/28/04/531252804.db2.gz OBRYQGMZJZYTLM-HRCADAONSA-N 1 2 384.889 1.144 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277737247 531307638 /nfs/dbraw/zinc/30/76/38/531307638.db2.gz KNLAVOSCTIJNDL-ZFWWWQNUSA-N 1 2 376.400 1.967 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277737247 531307644 /nfs/dbraw/zinc/30/76/44/531307644.db2.gz KNLAVOSCTIJNDL-ZFWWWQNUSA-N 1 2 376.400 1.967 20 30 GDEDLO N#CCCN(CCC#N)C(=O)C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000485118661 531428605 /nfs/dbraw/zinc/42/86/05/531428605.db2.gz CXVPGMSSPTVUHA-UHFFFAOYSA-N 1 2 399.314 1.961 20 30 GDEDLO N#CCCN(CCC#N)C(=O)C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485118661 531428606 /nfs/dbraw/zinc/42/86/06/531428606.db2.gz CXVPGMSSPTVUHA-UHFFFAOYSA-N 1 2 399.314 1.961 20 30 GDEDLO C[C@H]1C[NH+]=C(N2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)S1 ZINC000267645001 531440852 /nfs/dbraw/zinc/44/08/52/531440852.db2.gz WMIWZXSNYNTWIH-GXTWGEPZSA-N 1 2 375.523 1.834 20 30 GDEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000267604636 531438922 /nfs/dbraw/zinc/43/89/22/531438922.db2.gz PZQATEHHDKUICN-LBPRGKRZSA-N 1 2 376.404 1.101 20 30 GDEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000267604636 531438926 /nfs/dbraw/zinc/43/89/26/531438926.db2.gz PZQATEHHDKUICN-LBPRGKRZSA-N 1 2 376.404 1.101 20 30 GDEDLO N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000449867471 531479928 /nfs/dbraw/zinc/47/99/28/531479928.db2.gz GUZPKDKDIGXVJO-CYBMUJFWSA-N 1 2 394.269 1.679 20 30 GDEDLO N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000449867471 531479933 /nfs/dbraw/zinc/47/99/33/531479933.db2.gz GUZPKDKDIGXVJO-CYBMUJFWSA-N 1 2 394.269 1.679 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2OC)CC1 ZINC000543783458 531482880 /nfs/dbraw/zinc/48/28/80/531482880.db2.gz DWXRFGYJHRAHIC-UHFFFAOYSA-N 1 2 382.302 1.878 20 30 GDEDLO CC1(C)COCC[N@@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449840398 531478144 /nfs/dbraw/zinc/47/81/44/531478144.db2.gz QDVIBGUEZVMWLP-UHFFFAOYSA-N 1 2 396.285 1.927 20 30 GDEDLO CC1(C)COCC[N@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449840398 531478149 /nfs/dbraw/zinc/47/81/49/531478149.db2.gz QDVIBGUEZVMWLP-UHFFFAOYSA-N 1 2 396.285 1.927 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494735875 531620374 /nfs/dbraw/zinc/62/03/74/531620374.db2.gz PUXQXJZELDBGFA-CABCVRRESA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494735875 531620388 /nfs/dbraw/zinc/62/03/88/531620388.db2.gz PUXQXJZELDBGFA-CABCVRRESA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000365274471 531635452 /nfs/dbraw/zinc/63/54/52/531635452.db2.gz JFXLNOYJGNVMNV-ZBFHGGJFSA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000365274471 531635460 /nfs/dbraw/zinc/63/54/60/531635460.db2.gz JFXLNOYJGNVMNV-ZBFHGGJFSA-N 1 2 385.555 1.665 20 30 GDEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416499112 531649730 /nfs/dbraw/zinc/64/97/30/531649730.db2.gz ZUTUERWPZHFJQN-LLVKDONJSA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416499112 531649735 /nfs/dbraw/zinc/64/97/35/531649735.db2.gz ZUTUERWPZHFJQN-LLVKDONJSA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603273954 532086346 /nfs/dbraw/zinc/08/63/46/532086346.db2.gz SYRNPJAHBLRREK-LLVKDONJSA-N 1 2 378.274 1.505 20 30 GDEDLO Cc1cc(Br)cn2cc(CNC(=O)N3C[C@@H]4COC[C@H](C3)O4)[nH+]c12 ZINC000328691194 532091436 /nfs/dbraw/zinc/09/14/36/532091436.db2.gz IRCZWEQTXQNKML-OKILXGFUSA-N 1 2 395.257 1.919 20 30 GDEDLO CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000329608102 532106679 /nfs/dbraw/zinc/10/66/79/532106679.db2.gz BNIXBIGDVRHIEE-GFCCVEGCSA-N 1 2 387.531 1.298 20 30 GDEDLO Cc1cc(NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(C#N)c[nH+]1 ZINC000425206860 532128069 /nfs/dbraw/zinc/12/80/69/532128069.db2.gz KRUMSMRIQOKRBO-UHFFFAOYSA-N 1 2 378.479 1.378 20 30 GDEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000274848351 532237170 /nfs/dbraw/zinc/23/71/70/532237170.db2.gz GVIFLSZTMMLPJD-LBPRGKRZSA-N 1 2 385.873 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N#Cc1cc(NC(=O)C(=O)NCCCn2cc[nH+]c2)ccc1Br ZINC000550592714 650595175 /nfs/dbraw/zinc/59/51/75/650595175.db2.gz KLGSGYFLWNMKHZ-UHFFFAOYSA-N 1 2 376.214 1.662 20 30 GDEDLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Cl)sc2S(N)(=O)=O)C1 ZINC000330454694 645359893 /nfs/dbraw/zinc/35/98/93/645359893.db2.gz MLHHZKHRJVRCEY-SNVBAGLBSA-N 1 2 395.934 1.710 20 30 GDEDLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)sc2S(N)(=O)=O)C1 ZINC000330454694 645359897 /nfs/dbraw/zinc/35/98/97/645359897.db2.gz MLHHZKHRJVRCEY-SNVBAGLBSA-N 1 2 395.934 1.710 20 30 GDEDLO C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000330680227 645398561 /nfs/dbraw/zinc/39/85/61/645398561.db2.gz FIMZHHZDOWYKJQ-QWRGUYRKSA-N 1 2 375.878 1.401 20 30 GDEDLO COCCOCC[NH+]1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 ZINC000593887113 652259988 /nfs/dbraw/zinc/25/99/88/652259988.db2.gz OCVANIRSNJBSNN-UHFFFAOYSA-N 1 2 396.285 1.742 20 30 GDEDLO C=CC[N@@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(C)(C)C ZINC000661760312 654283010 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C=CCOc1c(Br)cc(C[N@@H+](C)CCS(N)(=O)=O)cc1OC ZINC000877827359 656694434 /nfs/dbraw/zinc/69/44/34/656694434.db2.gz YXQCRQUFWCUNDN-UHFFFAOYSA-N 1 2 393.303 1.743 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000884186243 657333866 /nfs/dbraw/zinc/33/38/66/657333866.db2.gz UVMJHLWQLPLQDP-ZDUSSCGKSA-N 1 2 387.267 1.484 20 30 GDEDLO N#Cc1cc(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)ccc1Br ZINC000903644053 659366923 /nfs/dbraw/zinc/36/69/23/659366923.db2.gz DCPCCDFIIOCNET-NSHDSACASA-N 1 2 381.255 1.811 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(Cl)cc1C#N ZINC001164701741 719863514 /nfs/dbraw/zinc/86/35/14/719863514.db2.gz HGXZLJVMLYOVJW-CRAIPNDOSA-N 1 2 378.860 1.839 20 30 GDEDLO Cc1ccc(CC#N)c(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)[nH+]1 ZINC001164708069 719929131 /nfs/dbraw/zinc/92/91/31/719929131.db2.gz BHBFIXSVMMSIIP-UHFFFAOYSA-N 1 2 393.495 1.140 20 30 GDEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)cc3C#N)C2)C1 ZINC001164721991 720272825 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C=C[C@H]([NH2+]CCCNC(=O)c1cc(OC)ccc1Br)C(=O)OC ZINC000619701253 531715352 /nfs/dbraw/zinc/71/53/52/531715352.db2.gz CBSXQIBNIDCNCO-AWEZNQCLSA-N 1 2 385.258 1.895 20 30 GDEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000452109980 531766587 /nfs/dbraw/zinc/76/65/87/531766587.db2.gz ZXMNHWSENPFRIT-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cccc(Br)c1C#N ZINC000452109980 531766588 /nfs/dbraw/zinc/76/65/88/531766588.db2.gz ZXMNHWSENPFRIT-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000297900402 531831891 /nfs/dbraw/zinc/83/18/91/531831891.db2.gz ROKKKKKPJJZHHH-CYBMUJFWSA-N 1 2 385.917 1.441 20 30 GDEDLO C[C@@H]1C[N@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)[C@@H](C)CO1 ZINC000597994741 531963750 /nfs/dbraw/zinc/96/37/50/531963750.db2.gz KQYHYMSQGXFDEV-QWHCGFSZSA-N 1 2 396.285 1.925 20 30 GDEDLO C[C@@H]1C[N@@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)[C@@H](C)CO1 ZINC000597994741 531963756 /nfs/dbraw/zinc/96/37/56/531963756.db2.gz KQYHYMSQGXFDEV-QWHCGFSZSA-N 1 2 396.285 1.925 20 30 GDEDLO C#CC[N@@H+](CC(=O)NC(=O)NC)[C@H]1CCOc2ccc(Br)cc21 ZINC000369309876 531956794 /nfs/dbraw/zinc/95/67/94/531956794.db2.gz JAFYSOSCZXUSIC-ZDUSSCGKSA-N 1 2 380.242 1.664 20 30 GDEDLO C#CC[N@H+](CC(=O)NC(=O)NC)[C@H]1CCOc2ccc(Br)cc21 ZINC000369309876 531956800 /nfs/dbraw/zinc/95/68/00/531956800.db2.gz JAFYSOSCZXUSIC-ZDUSSCGKSA-N 1 2 380.242 1.664 20 30 GDEDLO CCN1C(=O)[C@H]2C[N@H+](Cc3cc(C#N)ccc3Br)CCN2C1=O ZINC000372814182 532047497 /nfs/dbraw/zinc/04/74/97/532047497.db2.gz YNIHAQAOFCXTQW-CQSZACIVSA-N 1 2 377.242 1.789 20 30 GDEDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3cc(C#N)ccc3Br)CCN2C1=O ZINC000372814182 532047501 /nfs/dbraw/zinc/04/75/01/532047501.db2.gz YNIHAQAOFCXTQW-CQSZACIVSA-N 1 2 377.242 1.789 20 30 GDEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000271757200 532050474 /nfs/dbraw/zinc/05/04/74/532050474.db2.gz ZXDQGFPTQFLOJG-GFCCVEGCSA-N 1 2 385.873 1.470 20 30 GDEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000271757200 532050478 /nfs/dbraw/zinc/05/04/78/532050478.db2.gz ZXDQGFPTQFLOJG-GFCCVEGCSA-N 1 2 385.873 1.470 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286666996 532167557 /nfs/dbraw/zinc/16/75/57/532167557.db2.gz UWYNYDYSOJOZJP-DZGCQCFKSA-N 1 2 376.400 1.825 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286666996 532167561 /nfs/dbraw/zinc/16/75/61/532167561.db2.gz UWYNYDYSOJOZJP-DZGCQCFKSA-N 1 2 376.400 1.825 20 30 GDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000826177080 608353269 /nfs/dbraw/zinc/35/32/69/608353269.db2.gz QNTOFKKMQQTEKO-UHFFFAOYSA-N 1 2 376.424 1.464 20 30 GDEDLO C[C@](C#N)(NC(=O)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000824033900 608465250 /nfs/dbraw/zinc/46/52/50/608465250.db2.gz COLUBNNVBJHUEH-HXUWFJFHSA-N 1 2 377.452 1.764 20 30 GDEDLO C[C@](C#N)(NC(=O)C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000824033900 608465251 /nfs/dbraw/zinc/46/52/51/608465251.db2.gz COLUBNNVBJHUEH-HXUWFJFHSA-N 1 2 377.452 1.764 20 30 GDEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000826387847 608591111 /nfs/dbraw/zinc/59/11/11/608591111.db2.gz UQRUAPCBEMRDKB-UHFFFAOYSA-N 1 2 382.453 1.987 20 30 GDEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161844843 644855233 /nfs/dbraw/zinc/85/52/33/644855233.db2.gz IMCSWIPQPZEPAX-ZDUSSCGKSA-N 1 2 382.277 1.844 20 30 GDEDLO C[N@@H+]1CCO[C@H](CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000328720647 645274013 /nfs/dbraw/zinc/27/40/13/645274013.db2.gz WHXSMKLUVDPDFD-CYBMUJFWSA-N 1 2 387.527 1.558 20 30 GDEDLO C[N@H+]1CCO[C@H](CNC(=O)c2sccc2S(=O)(=O)N2CCCCC2)C1 ZINC000328720647 645274015 /nfs/dbraw/zinc/27/40/15/645274015.db2.gz WHXSMKLUVDPDFD-CYBMUJFWSA-N 1 2 387.527 1.558 20 30 GDEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000329111269 645297260 /nfs/dbraw/zinc/29/72/60/645297260.db2.gz QVMUDXHIFHTXJA-KGLIPLIRSA-N 1 2 387.527 1.578 20 30 GDEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000329111269 645297264 /nfs/dbraw/zinc/29/72/64/645297264.db2.gz QVMUDXHIFHTXJA-KGLIPLIRSA-N 1 2 387.527 1.578 20 30 GDEDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1ccn(CC(F)F)n1 ZINC000330142963 645344472 /nfs/dbraw/zinc/34/44/72/645344472.db2.gz YOCGRPSCQVSJGZ-HNNXBMFYSA-N 1 2 375.445 1.682 20 30 GDEDLO C[C@H]([C@H](C)NC(=O)c1ccc(S(N)(=O)=O)cc1Cl)[NH+]1CCOCC1 ZINC000330680228 645398876 /nfs/dbraw/zinc/39/88/76/645398876.db2.gz FIMZHHZDOWYKJQ-WDEREUQCSA-N 1 2 375.878 1.401 20 30 GDEDLO Cc1ccc(F)c(C(=O)NC[C@H](O)C[NH+]2CCOCC2)c1Br ZINC000331196590 645477325 /nfs/dbraw/zinc/47/73/25/645477325.db2.gz YLASUCZMZGPSGY-NSHDSACASA-N 1 2 375.238 1.894 20 30 GDEDLO Cc1nc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c(Br)s1 ZINC000331355593 645505520 /nfs/dbraw/zinc/50/55/20/645505520.db2.gz QVWGUCIJTPWRQM-ZDUSSCGKSA-N 1 2 378.292 1.602 20 30 GDEDLO N#Cc1ccc(I)c(OC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000513216701 648425701 /nfs/dbraw/zinc/42/57/01/648425701.db2.gz HALPXHWQKMLXTK-LBPRGKRZSA-N 1 2 388.205 1.235 20 30 GDEDLO C=CCn1cc(C[NH2+]CCS(=O)(=O)c2cccc(Br)c2)nn1 ZINC000575116532 651583774 /nfs/dbraw/zinc/58/37/74/651583774.db2.gz CZEMGVDRSVIBDO-UHFFFAOYSA-N 1 2 385.287 1.790 20 30 GDEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000601514782 652590550 /nfs/dbraw/zinc/59/05/50/652590550.db2.gz LFQOUNBQCDNRQO-AWEZNQCLSA-N 1 2 383.543 1.451 20 30 GDEDLO C=CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787872870 654974208 /nfs/dbraw/zinc/97/42/08/654974208.db2.gz LWXLMTHYTQRZQK-UHFFFAOYSA-N 1 2 381.274 1.442 20 30 GDEDLO C#CC[NH+]1CCC(NC(=O)CS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000928656620 656920658 /nfs/dbraw/zinc/92/06/58/656920658.db2.gz CENBFOBEYGZBPP-UHFFFAOYSA-N 1 2 399.310 1.437 20 30 GDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1ccccc1I ZINC000891322668 658225431 /nfs/dbraw/zinc/22/54/31/658225431.db2.gz TXZBHLNHNHBNFO-GJZGRUSLSA-N 1 2 398.244 1.538 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1ccccc1I ZINC000891322668 658225437 /nfs/dbraw/zinc/22/54/37/658225437.db2.gz TXZBHLNHNHBNFO-GJZGRUSLSA-N 1 2 398.244 1.538 20 30 GDEDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC001164716138 720216553 /nfs/dbraw/zinc/21/65/53/720216553.db2.gz ARZHZCWJAXFEQK-SFHVURJKSA-N 1 2 377.876 1.271 20 30 GDEDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC001164716138 720216563 /nfs/dbraw/zinc/21/65/63/720216563.db2.gz ARZHZCWJAXFEQK-SFHVURJKSA-N 1 2 377.876 1.271 20 30 GDEDLO N#Cc1nc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947008 721970849 /nfs/dbraw/zinc/97/08/49/721970849.db2.gz ZYRABPIFSMQHFR-UHFFFAOYSA-N 1 2 396.882 1.973 20 30 GDEDLO N#Cc1nc(Cl)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947008 721970854 /nfs/dbraw/zinc/97/08/54/721970854.db2.gz ZYRABPIFSMQHFR-UHFFFAOYSA-N 1 2 396.882 1.973 20 30 GDEDLO C=CCNC(=O)CN1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000023265104 530574603 /nfs/dbraw/zinc/57/46/03/530574603.db2.gz BPGLRXIOHJOBNS-UHFFFAOYSA-N 1 2 382.302 1.748 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000177513913 530704239 /nfs/dbraw/zinc/70/42/39/530704239.db2.gz NFZXFSJWLPBRTD-UHFFFAOYSA-N 1 2 378.380 1.637 20 30 GDEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000179462992 530742157 /nfs/dbraw/zinc/74/21/57/530742157.db2.gz LKDPYEQAAPEYFO-OAHLLOKOSA-N 1 2 376.400 1.950 20 30 GDEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000179462992 530742160 /nfs/dbraw/zinc/74/21/60/530742160.db2.gz LKDPYEQAAPEYFO-OAHLLOKOSA-N 1 2 376.400 1.950 20 30 GDEDLO CNS(=O)(=O)c1ccccc1N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093049179 530813386 /nfs/dbraw/zinc/81/33/86/530813386.db2.gz QBSWIFBTGCVQAQ-UHFFFAOYSA-N 1 2 376.507 1.850 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@@H+]1CCO ZINC000188733220 530900334 /nfs/dbraw/zinc/90/03/34/530900334.db2.gz VYHFLRPDEOUXNC-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@H+]1CCO ZINC000188733220 530900337 /nfs/dbraw/zinc/90/03/37/530900337.db2.gz VYHFLRPDEOUXNC-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@@H](C(=O)NC(N)=O)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120992666 530948402 /nfs/dbraw/zinc/94/84/02/530948402.db2.gz FYJNTIKDXFZWHT-SMDDNHRTSA-N 1 2 394.273 1.215 20 30 GDEDLO Cc1cc(Br)cn2cc(CNC(=O)[C@H](C)n3cnc(C#N)n3)[nH+]c12 ZINC000409945815 531271295 /nfs/dbraw/zinc/27/12/95/531271295.db2.gz ZFIVDJMTKRIPSU-JTQLQIEISA-N 1 2 388.229 1.746 20 30 GDEDLO N#Cc1ccc(-c2ccc(S(=O)(=O)N3CC[NH+](CCO)CC3)cc2)s1 ZINC000527588214 531332968 /nfs/dbraw/zinc/33/29/68/531332968.db2.gz PGGBEUZEZPBTMV-UHFFFAOYSA-N 1 2 377.491 1.585 20 30 GDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449844787 531478824 /nfs/dbraw/zinc/47/88/24/531478824.db2.gz XHTMSEMXFYLRGG-LBPRGKRZSA-N 1 2 382.258 1.536 20 30 GDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449844787 531478827 /nfs/dbraw/zinc/47/88/27/531478827.db2.gz XHTMSEMXFYLRGG-LBPRGKRZSA-N 1 2 382.258 1.536 20 30 GDEDLO CC[C@@H]1C[N@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000451240719 531573194 /nfs/dbraw/zinc/57/31/94/531573194.db2.gz INTFGJUPZNDICN-CQSZACIVSA-N 1 2 396.285 1.927 20 30 GDEDLO CC[C@@H]1C[N@@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000451240719 531573201 /nfs/dbraw/zinc/57/32/01/531573201.db2.gz INTFGJUPZNDICN-CQSZACIVSA-N 1 2 396.285 1.927 20 30 GDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494245719 531592528 /nfs/dbraw/zinc/59/25/28/531592528.db2.gz UPDXNCNFZVPTDH-UHFFFAOYSA-N 1 2 376.276 1.317 20 30 GDEDLO C=CCNC(=O)NC(=O)C[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494245719 531592530 /nfs/dbraw/zinc/59/25/30/531592530.db2.gz UPDXNCNFZVPTDH-UHFFFAOYSA-N 1 2 376.276 1.317 20 30 GDEDLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451434518 531615953 /nfs/dbraw/zinc/61/59/53/531615953.db2.gz OXMVCAQOQQRZQB-ZDUSSCGKSA-N 1 2 385.917 1.872 20 30 GDEDLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451434518 531615957 /nfs/dbraw/zinc/61/59/57/531615957.db2.gz OXMVCAQOQQRZQB-ZDUSSCGKSA-N 1 2 385.917 1.872 20 30 GDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494721492 531620443 /nfs/dbraw/zinc/62/04/43/531620443.db2.gz MGVBIJYZYBAEKP-FZMZJTMJSA-N 1 2 384.889 1.552 20 30 GDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494721492 531620449 /nfs/dbraw/zinc/62/04/49/531620449.db2.gz MGVBIJYZYBAEKP-FZMZJTMJSA-N 1 2 384.889 1.552 20 30 GDEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282105062 531706244 /nfs/dbraw/zinc/70/62/44/531706244.db2.gz SVDXQGUMVZHQRF-AWEZNQCLSA-N 1 2 383.901 1.945 20 30 GDEDLO C=C[C@@H]([NH2+]CCCNC(=O)c1cc(OC)ccc1Br)C(=O)OC ZINC000619701254 531715069 /nfs/dbraw/zinc/71/50/69/531715069.db2.gz CBSXQIBNIDCNCO-CQSZACIVSA-N 1 2 385.258 1.895 20 30 GDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000592148828 531768027 /nfs/dbraw/zinc/76/80/27/531768027.db2.gz CMQQPLLXCOEZHB-AWEZNQCLSA-N 1 2 385.205 1.580 20 30 GDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(I)cc2)C1 ZINC000592148828 531768031 /nfs/dbraw/zinc/76/80/31/531768031.db2.gz CMQQPLLXCOEZHB-AWEZNQCLSA-N 1 2 385.205 1.580 20 30 GDEDLO COCCN(CCC#N)S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000282801355 531796756 /nfs/dbraw/zinc/79/67/56/531796756.db2.gz KFBXUFNXHCOQPV-MRXNPFEDSA-N 1 2 388.921 1.639 20 30 GDEDLO N#Cc1cc(Br)ccc1CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000593138289 531818613 /nfs/dbraw/zinc/81/86/13/531818613.db2.gz HKRURDATXGXUOP-UHFFFAOYSA-N 1 2 378.270 1.844 20 30 GDEDLO C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccsc3C#N)c[nH+]2)CCO1 ZINC000593529834 531839924 /nfs/dbraw/zinc/83/99/24/531839924.db2.gz GHJARQDCCPYPBD-LBPRGKRZSA-N 1 2 378.479 1.718 20 30 GDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(I)ccc2O)CC1 ZINC000299297887 531977223 /nfs/dbraw/zinc/97/72/23/531977223.db2.gz FCYOKRPCOKOFNK-UHFFFAOYSA-N 1 2 384.217 1.778 20 30 GDEDLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000577683833 532037984 /nfs/dbraw/zinc/03/79/84/532037984.db2.gz FEAMVNDJRZVDPI-JTQLQIEISA-N 1 2 379.467 1.040 20 30 GDEDLO CS(=O)(=O)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1Cl ZINC000432233536 532282092 /nfs/dbraw/zinc/28/20/92/532282092.db2.gz SARQVWFNBLREAB-MRXNPFEDSA-N 1 2 377.853 1.931 20 30 GDEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(-c3nn[nH]n3)c(C#N)c2)CC1 ZINC000737614911 599197743 /nfs/dbraw/zinc/19/77/43/599197743.db2.gz CAZIKRZOKXGZRR-UHFFFAOYSA-N 1 2 391.439 1.323 20 30 GDEDLO C[C@@H]1CN(Cc2ccnc(C#N)c2)CC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824993065 607520534 /nfs/dbraw/zinc/52/05/34/607520534.db2.gz OXYDGRRSKABKAJ-CQSZACIVSA-N 1 2 375.440 1.235 20 30 GDEDLO C[C@@H]1CN(Cc2ccnc(C#N)c2)CC[N@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824993065 607520536 /nfs/dbraw/zinc/52/05/36/607520536.db2.gz OXYDGRRSKABKAJ-CQSZACIVSA-N 1 2 375.440 1.235 20 30 GDEDLO C[C@H]1CN(Cc2ccnc(C#N)c2)CC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824993062 607520964 /nfs/dbraw/zinc/52/09/64/607520964.db2.gz OXYDGRRSKABKAJ-AWEZNQCLSA-N 1 2 375.440 1.235 20 30 GDEDLO C[C@H]1CN(Cc2ccnc(C#N)c2)CC[N@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824993062 607520966 /nfs/dbraw/zinc/52/09/66/607520966.db2.gz OXYDGRRSKABKAJ-AWEZNQCLSA-N 1 2 375.440 1.235 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000820804387 606785323 /nfs/dbraw/zinc/78/53/23/606785323.db2.gz RQRXGFJVPGELBR-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000820804387 606785324 /nfs/dbraw/zinc/78/53/24/606785324.db2.gz RQRXGFJVPGELBR-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@@H](O[NH+]=C(N)c1ccc2c(c1)CCO2)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000824731085 607810995 /nfs/dbraw/zinc/81/09/95/607810995.db2.gz RWJDHBWSBKVLMM-LLVKDONJSA-N 1 2 393.407 1.466 20 30 GDEDLO COc1cc(C#N)ccc1C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000826177050 608370081 /nfs/dbraw/zinc/37/00/81/608370081.db2.gz PPIMZHKKDHJMGS-ZDUSSCGKSA-N 1 2 391.439 1.248 20 30 GDEDLO COc1cc(C#N)ccc1C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000826177050 608370083 /nfs/dbraw/zinc/37/00/83/608370083.db2.gz PPIMZHKKDHJMGS-ZDUSSCGKSA-N 1 2 391.439 1.248 20 30 GDEDLO N#Cc1cc(C(=O)N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)c[nH]1 ZINC000826383482 609205729 /nfs/dbraw/zinc/20/57/29/609205729.db2.gz CJHVBWJHAIOCKB-UHFFFAOYSA-N 1 2 399.418 1.577 20 30 GDEDLO C[C@]12CCC(=O)N1[C@H](C(=O)NC[C@@]1([NH+]3CCOCC3)CCSC1)CS2 ZINC000329045834 645293964 /nfs/dbraw/zinc/29/39/64/645293964.db2.gz JLIPJKZICSQWBY-JQFCIGGWSA-N 1 2 385.555 1.605 20 30 GDEDLO C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C1 ZINC000330685247 645399821 /nfs/dbraw/zinc/39/98/21/645399821.db2.gz LAUYMBZWCQMGQB-LLVKDONJSA-N 1 2 377.413 1.684 20 30 GDEDLO C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C1 ZINC000330685247 645399831 /nfs/dbraw/zinc/39/98/31/645399831.db2.gz LAUYMBZWCQMGQB-LLVKDONJSA-N 1 2 377.413 1.684 20 30 GDEDLO CC(C)(C)OC(=O)CNC(=O)CO[NH+]=C(N)c1ccc(Br)cc1 ZINC000784059059 654877235 /nfs/dbraw/zinc/87/72/35/654877235.db2.gz UFIZYEQIYGOKKF-UHFFFAOYSA-N 1 2 386.246 1.544 20 30 GDEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2cc(C(F)(F)F)cnc2C#N)CC1 ZINC000840259285 655282148 /nfs/dbraw/zinc/28/21/48/655282148.db2.gz KLNSKAGFZCMFDW-UHFFFAOYSA-N 1 2 376.404 1.893 20 30 GDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000928646105 656919999 /nfs/dbraw/zinc/91/99/99/656919999.db2.gz JALFYNVSBRWEPS-CQSZACIVSA-N 1 2 396.285 1.927 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000884134376 657328741 /nfs/dbraw/zinc/32/87/41/657328741.db2.gz FQHOZUCAIUPWNA-ZDUSSCGKSA-N 1 2 385.262 1.256 20 30 GDEDLO N#Cc1sc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)nc1Cl ZINC000888409404 657900878 /nfs/dbraw/zinc/90/08/78/657900878.db2.gz BSUGGNIOFLXHBG-CQSZACIVSA-N 1 2 387.918 1.998 20 30 GDEDLO N#Cc1nc(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)ccc1Br ZINC000905983322 659500216 /nfs/dbraw/zinc/50/02/16/659500216.db2.gz FVPWWSZAAOVIJR-RISCZKNCSA-N 1 2 395.257 1.534 20 30 GDEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)[C@@H]2C1 ZINC001076268809 677680380 /nfs/dbraw/zinc/68/03/80/677680380.db2.gz IFPZNMCCRMBKLA-ARLBYUKCSA-N 1 2 379.302 1.965 20 30 GDEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)[C@@H]2C1 ZINC001076268809 677680381 /nfs/dbraw/zinc/68/03/81/677680381.db2.gz IFPZNMCCRMBKLA-ARLBYUKCSA-N 1 2 379.302 1.965 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(Cl)cc1C#N ZINC001164701746 719863478 /nfs/dbraw/zinc/86/34/78/719863478.db2.gz HGXZLJVMLYOVJW-YJBOKZPZSA-N 1 2 378.860 1.839 20 30 GDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(C#N)cc(Cl)n1)CC2 ZINC001164703553 719926713 /nfs/dbraw/zinc/92/67/13/719926713.db2.gz KIAFIXLPKNZAPZ-UHFFFAOYSA-N 1 2 399.886 1.290 20 30 GDEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc(C#N)cn4)CC3)C2=O)cs1 ZINC001164824826 720361470 /nfs/dbraw/zinc/36/14/70/720361470.db2.gz NKVAIRHKKNZWMT-UHFFFAOYSA-N 1 2 397.508 1.426 20 30 GDEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc(C#N)cn4)CC3)C2=O)cs1 ZINC001164824826 720361478 /nfs/dbraw/zinc/36/14/78/720361478.db2.gz NKVAIRHKKNZWMT-UHFFFAOYSA-N 1 2 397.508 1.426 20 30 GDEDLO Cc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1C#N ZINC001164916993 721788690 /nfs/dbraw/zinc/78/86/90/721788690.db2.gz UTZKUUMYRJWFQF-OAQYLSRUSA-N 1 2 379.464 1.765 20 30 GDEDLO Cc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1C#N ZINC001164916993 721788693 /nfs/dbraw/zinc/78/86/93/721788693.db2.gz UTZKUUMYRJWFQF-OAQYLSRUSA-N 1 2 379.464 1.765 20 30 GDEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573292639 946935108 /nfs/dbraw/zinc/93/51/08/946935108.db2.gz YYYRMRLPRNUVFU-UHFFFAOYSA-N 1 2 392.261 1.465 20 30 GDEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573292639 946935117 /nfs/dbraw/zinc/93/51/17/946935117.db2.gz YYYRMRLPRNUVFU-UHFFFAOYSA-N 1 2 392.261 1.465 20 30 GDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C[C@H](C)O2 ZINC001573294768 946996788 /nfs/dbraw/zinc/99/67/88/946996788.db2.gz GPXRVIDNAYLPRA-YVEFUNNKSA-N 1 2 391.863 1.253 20 30 GDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C[C@H](C)O2 ZINC001573294768 946996797 /nfs/dbraw/zinc/99/67/97/946996797.db2.gz GPXRVIDNAYLPRA-YVEFUNNKSA-N 1 2 391.863 1.253 20 30 GDEDLO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001574974580 949992273 /nfs/dbraw/zinc/99/22/73/949992273.db2.gz BPEIEQIUHXWXIL-LLVKDONJSA-N 1 2 382.403 1.456 20 30 GDEDLO C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001574974580 949992291 /nfs/dbraw/zinc/99/22/91/949992291.db2.gz BPEIEQIUHXWXIL-LLVKDONJSA-N 1 2 382.403 1.456 20 30 GDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)ccc1F ZINC001571155748 952699874 /nfs/dbraw/zinc/69/98/74/952699874.db2.gz YWTXWPUERPSEGX-UHFFFAOYSA-N 1 2 380.387 1.067 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)ccc2C)CC1 ZINC000173550494 530632922 /nfs/dbraw/zinc/63/29/22/530632922.db2.gz VWLHEWMATJGENB-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)ccc2C)CC1 ZINC000173550494 530632924 /nfs/dbraw/zinc/63/29/24/530632924.db2.gz VWLHEWMATJGENB-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000175868914 530671987 /nfs/dbraw/zinc/67/19/87/530671987.db2.gz VTRIAAQQWMQUGS-LLVKDONJSA-N 1 2 384.278 1.060 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000069868219 530799849 /nfs/dbraw/zinc/79/98/49/530799849.db2.gz CEBAXLRLRIKAMO-AWEZNQCLSA-N 1 2 383.901 1.945 20 30 GDEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000187960754 530881020 /nfs/dbraw/zinc/88/10/20/530881020.db2.gz UCQUBEKYIWUEKW-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO CN(C1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1)S(C)(=O)=O ZINC000143376508 531123817 /nfs/dbraw/zinc/12/38/17/531123817.db2.gz NBBORCFPEBVFTA-UHFFFAOYSA-N 1 2 384.889 1.506 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2csc(Br)c2)CC1 ZINC000264122081 531169093 /nfs/dbraw/zinc/16/90/93/531169093.db2.gz FHEGDYVYFXDOJV-UHFFFAOYSA-N 1 2 384.299 1.408 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2csc(Br)c2)CC1 ZINC000264122081 531169096 /nfs/dbraw/zinc/16/90/96/531169096.db2.gz FHEGDYVYFXDOJV-UHFFFAOYSA-N 1 2 384.299 1.408 20 30 GDEDLO C=CCC[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000472774632 531240417 /nfs/dbraw/zinc/24/04/17/531240417.db2.gz SZDQJIVJOFYBCR-AWEZNQCLSA-N 1 2 388.511 1.168 20 30 GDEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000411416090 531321977 /nfs/dbraw/zinc/32/19/77/531321977.db2.gz CITNVJQBBQETBB-CVEARBPZSA-N 1 2 377.286 1.910 20 30 GDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494721491 531622046 /nfs/dbraw/zinc/62/20/46/531622046.db2.gz MGVBIJYZYBAEKP-BXUZGUMPSA-N 1 2 384.889 1.552 20 30 GDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494721491 531622052 /nfs/dbraw/zinc/62/20/52/531622052.db2.gz MGVBIJYZYBAEKP-BXUZGUMPSA-N 1 2 384.889 1.552 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cccc(I)c2)CC1 ZINC000560259186 531634092 /nfs/dbraw/zinc/63/40/92/531634092.db2.gz RFYRXUWVHZSTQI-UHFFFAOYSA-N 1 2 399.276 1.711 20 30 GDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(C)(C)CO ZINC000295868046 531632336 /nfs/dbraw/zinc/63/23/36/531632336.db2.gz YNLHPCXTVKZCBR-AWEZNQCLSA-N 1 2 382.873 1.983 20 30 GDEDLO N#Cc1cc(S(=O)(=O)NCCC[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000281808085 531664380 /nfs/dbraw/zinc/66/43/80/531664380.db2.gz FXXVCMUIPUDODD-UHFFFAOYSA-N 1 2 377.388 1.578 20 30 GDEDLO C=CCS(=O)(=O)CCNC(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000297462428 531793150 /nfs/dbraw/zinc/79/31/50/531793150.db2.gz WAXOMSDADMAHMP-MRXNPFEDSA-N 1 2 385.555 1.911 20 30 GDEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419695456 531957909 /nfs/dbraw/zinc/95/79/09/531957909.db2.gz MTLIDKULOUIDET-UHFFFAOYSA-N 1 2 395.257 1.050 20 30 GDEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3c[nH]c(=O)s3)CC2)cc1 ZINC000601296406 532059523 /nfs/dbraw/zinc/05/95/23/532059523.db2.gz RTSHCCBTXOPJAS-UHFFFAOYSA-N 1 2 378.479 1.617 20 30 GDEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3c[nH]c(=O)s3)CC2)cc1 ZINC000601296406 532059528 /nfs/dbraw/zinc/05/95/28/532059528.db2.gz RTSHCCBTXOPJAS-UHFFFAOYSA-N 1 2 378.479 1.617 20 30 GDEDLO CCCCNC(=O)C[NH+]1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603269414 532085874 /nfs/dbraw/zinc/08/58/74/532085874.db2.gz RUBMWJNDWRDVSO-UHFFFAOYSA-N 1 2 380.290 1.754 20 30 GDEDLO COc1ncc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1Br ZINC000424622271 532102292 /nfs/dbraw/zinc/10/22/92/532102292.db2.gz BWGQIECEHDVLTI-UHFFFAOYSA-N 1 2 397.273 1.541 20 30 GDEDLO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3csc(S(C)(=O)=O)c3)CC2)C1=O ZINC000329466069 532104431 /nfs/dbraw/zinc/10/44/31/532104431.db2.gz VLNKFLSTACBLNH-CYBMUJFWSA-N 1 2 385.511 1.151 20 30 GDEDLO COC(=O)c1cnc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000424723779 532106677 /nfs/dbraw/zinc/10/66/77/532106677.db2.gz DADULOZIONEUHH-NSHDSACASA-N 1 2 379.463 1.926 20 30 GDEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)C[C@H]21 ZINC000330353236 532119748 /nfs/dbraw/zinc/11/97/48/532119748.db2.gz OFLXEKJLPFGESR-HUUCEWRRSA-N 1 2 387.889 1.346 20 30 GDEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)C[C@H]21 ZINC000330353236 532119750 /nfs/dbraw/zinc/11/97/50/532119750.db2.gz OFLXEKJLPFGESR-HUUCEWRRSA-N 1 2 387.889 1.346 20 30 GDEDLO N#Cc1ncccc1S(=O)(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000428376331 532204519 /nfs/dbraw/zinc/20/45/19/532204519.db2.gz FAAVLPDVGXLMFJ-UHFFFAOYSA-N 1 2 376.869 1.943 20 30 GDEDLO N#Cc1ncccc1S(=O)(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000428376331 532204520 /nfs/dbraw/zinc/20/45/20/532204520.db2.gz FAAVLPDVGXLMFJ-UHFFFAOYSA-N 1 2 376.869 1.943 20 30 GDEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000274848347 532236898 /nfs/dbraw/zinc/23/68/98/532236898.db2.gz GVIFLSZTMMLPJD-GFCCVEGCSA-N 1 2 385.873 1.470 20 30 GDEDLO COc1ccc(C(N)=[NH+]O[C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737073578 598832274 /nfs/dbraw/zinc/83/22/74/598832274.db2.gz FDNUUFSCZAZJOM-NSHDSACASA-N 1 2 381.396 1.539 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000820803890 606980003 /nfs/dbraw/zinc/98/00/03/606980003.db2.gz JJBRSFLOVVALCO-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000820803890 606980004 /nfs/dbraw/zinc/98/00/04/606980004.db2.gz JJBRSFLOVVALCO-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000329250717 645304922 /nfs/dbraw/zinc/30/49/22/645304922.db2.gz XTSGETYMUJZVOK-CHWSQXEVSA-N 1 2 387.527 1.361 20 30 GDEDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000503474145 648188070 /nfs/dbraw/zinc/18/80/70/648188070.db2.gz XTZBUNHPWYSLEZ-UHFFFAOYSA-N 1 2 384.889 1.043 20 30 GDEDLO C#CC[NH+]1CCN(Cn2c(=O)oc3cc(I)ccc32)CC1 ZINC000777951101 654726973 /nfs/dbraw/zinc/72/69/73/654726973.db2.gz GHSJJCGBBDIYEC-UHFFFAOYSA-N 1 2 397.216 1.407 20 30 GDEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000787895318 654974959 /nfs/dbraw/zinc/97/49/59/654974959.db2.gz WUOLOUGOVOCNNS-UHFFFAOYSA-N 1 2 399.256 1.719 20 30 GDEDLO C#CC[NH+]1CCC(NC(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC1 ZINC000928658060 656920458 /nfs/dbraw/zinc/92/04/58/656920458.db2.gz KJHDVYYJPUZNGV-UHFFFAOYSA-N 1 2 399.310 1.680 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000891608540 658254916 /nfs/dbraw/zinc/25/49/16/658254916.db2.gz ZERUPZUJIZFIQD-AWEZNQCLSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)c(Br)c2)C1 ZINC000891608540 658254919 /nfs/dbraw/zinc/25/49/19/658254919.db2.gz ZERUPZUJIZFIQD-AWEZNQCLSA-N 1 2 378.270 1.910 20 30 GDEDLO Cc1cc(Br)cn2c(CN3CCN(C(=O)CC#N)CC3)c[nH+]c12 ZINC000895065274 658656244 /nfs/dbraw/zinc/65/62/44/658656244.db2.gz AEQQUWHFPVNVGY-UHFFFAOYSA-N 1 2 376.258 1.963 20 30 GDEDLO C[C@H](NC(=O)COc1cccc(Br)c1C#N)[C@H]1CN(C)CC[N@@H+]1C ZINC000896533297 658785291 /nfs/dbraw/zinc/78/52/91/658785291.db2.gz HQCJHZVDYHCLPL-SWLSCSKDSA-N 1 2 395.301 1.450 20 30 GDEDLO C[C@H](NC(=O)COc1cccc(Br)c1C#N)[C@H]1CN(C)CC[N@H+]1C ZINC000896533297 658785298 /nfs/dbraw/zinc/78/52/98/658785298.db2.gz HQCJHZVDYHCLPL-SWLSCSKDSA-N 1 2 395.301 1.450 20 30 GDEDLO N#Cc1cc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)ccc1Br ZINC000903644049 659366862 /nfs/dbraw/zinc/36/68/62/659366862.db2.gz DCPCCDFIIOCNET-LLVKDONJSA-N 1 2 381.255 1.811 20 30 GDEDLO Cn1cc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c(Br)n1 ZINC000905520541 659461111 /nfs/dbraw/zinc/46/11/11/659461111.db2.gz IMEXTTVGVNSCDD-UHFFFAOYSA-N 1 2 383.271 1.618 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2c(C#N)c[nH]c2n1 ZINC001164701124 719858130 /nfs/dbraw/zinc/85/81/30/719858130.db2.gz JLOHGADNSAPUEH-YWZLYKJASA-N 1 2 383.452 1.667 20 30 GDEDLO Cc1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncc1C#N ZINC001164912327 721778805 /nfs/dbraw/zinc/77/88/05/721778805.db2.gz KJLFCLCNHOHVOC-OAQYLSRUSA-N 1 2 379.464 1.765 20 30 GDEDLO Cc1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncc1C#N ZINC001164912327 721778808 /nfs/dbraw/zinc/77/88/08/721778808.db2.gz KJLFCLCNHOHVOC-OAQYLSRUSA-N 1 2 379.464 1.765 20 30 GDEDLO Cc1nn2c([nH]c3ccccc3c2=O)c1C=[NH+]NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822505309 946104888 /nfs/dbraw/zinc/10/48/88/946104888.db2.gz IAZCBZXHQWXGJE-UHFFFAOYSA-N 1 2 399.418 1.788 20 30 GDEDLO C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573292323 946932854 /nfs/dbraw/zinc/93/28/54/946932854.db2.gz SZPOIZCBLDYYLB-CQSZACIVSA-N 1 2 380.250 1.298 20 30 GDEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573292323 946932860 /nfs/dbraw/zinc/93/28/60/946932860.db2.gz SZPOIZCBLDYYLB-CQSZACIVSA-N 1 2 380.250 1.298 20 30 GDEDLO C=C[C@H](CC)CC(=O)NC1(CCO)C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573315021 947242997 /nfs/dbraw/zinc/24/29/97/947242997.db2.gz JIJRBANJSSVHKV-OAHLLOKOSA-N 1 2 384.484 1.522 20 30 GDEDLO C[C@H](c1cccc(Nc2cnc(-c3nn[nH]n3)c(C#N)n2)c1)[NH+]1CCOCC1 ZINC001575511995 949137607 /nfs/dbraw/zinc/13/76/07/949137607.db2.gz MDKRQFPYXJWAJB-GFCCVEGCSA-N 1 2 377.412 1.665 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000173080756 530623099 /nfs/dbraw/zinc/62/30/99/530623099.db2.gz AUFPCOVTCFYIJU-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)c(Br)c2)CC1 ZINC000173080756 530623101 /nfs/dbraw/zinc/62/31/01/530623101.db2.gz AUFPCOVTCFYIJU-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C=CCn1c(=O)[nH]nc1SCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000177096678 530697125 /nfs/dbraw/zinc/69/71/25/530697125.db2.gz QOBRRZAIKNWCOI-UHFFFAOYSA-N 1 2 379.511 1.255 20 30 GDEDLO C[C@H](NC(=O)CO[NH+]=C(N)CN1CCOCC1)c1ccc(Br)cc1 ZINC000111181666 530872655 /nfs/dbraw/zinc/87/26/55/530872655.db2.gz YXKRYYJXDINEMT-LBPRGKRZSA-N 1 2 399.289 1.247 20 30 GDEDLO Cc1nc(CC(N)=[NH+]OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)cs1 ZINC000148804206 531127879 /nfs/dbraw/zinc/12/78/79/531127879.db2.gz ONGVHEXYOXTFQL-UHFFFAOYSA-N 1 2 382.467 1.325 20 30 GDEDLO Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)s1 ZINC000152496296 531153051 /nfs/dbraw/zinc/15/30/51/531153051.db2.gz SUVZASYDSBDNBV-HNNXBMFYSA-N 1 2 378.479 1.023 20 30 GDEDLO CC(C)(CC#N)CS(=O)(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000451110488 531550637 /nfs/dbraw/zinc/55/06/37/531550637.db2.gz QFFGTOHDPULATQ-UHFFFAOYSA-N 1 2 385.452 1.843 20 30 GDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(C)(C)CO ZINC000295860676 531631104 /nfs/dbraw/zinc/63/11/04/531631104.db2.gz XYBNKMYGAGNABO-CQSZACIVSA-N 1 2 382.873 1.983 20 30 GDEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416499113 531649337 /nfs/dbraw/zinc/64/93/37/531649337.db2.gz ZUTUERWPZHFJQN-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416499113 531649344 /nfs/dbraw/zinc/64/93/44/531649344.db2.gz ZUTUERWPZHFJQN-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO COCCN(CCC#N)S(=O)(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000281877586 531674325 /nfs/dbraw/zinc/67/43/25/531674325.db2.gz CZEGZBBDRJHUDK-OAHLLOKOSA-N 1 2 386.543 1.534 20 30 GDEDLO COCC(COC)[NH+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000416568460 531680675 /nfs/dbraw/zinc/68/06/75/531680675.db2.gz HJHQPJLSCMDVRC-UHFFFAOYSA-N 1 2 387.889 1.179 20 30 GDEDLO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)c1 ZINC000367481985 531839154 /nfs/dbraw/zinc/83/91/54/531839154.db2.gz ZADKYWYGRCPYMR-NSHDSACASA-N 1 2 380.214 1.548 20 30 GDEDLO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(C#N)cc3Br)CCN2C1=O ZINC000367893401 531874971 /nfs/dbraw/zinc/87/49/71/531874971.db2.gz MCRVTLGNVUIWCO-AWEZNQCLSA-N 1 2 377.242 1.789 20 30 GDEDLO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3Br)CCN2C1=O ZINC000367893401 531874977 /nfs/dbraw/zinc/87/49/77/531874977.db2.gz MCRVTLGNVUIWCO-AWEZNQCLSA-N 1 2 377.242 1.789 20 30 GDEDLO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000419348716 531927236 /nfs/dbraw/zinc/92/72/36/531927236.db2.gz BUGLKENCLQOJJI-CQSZACIVSA-N 1 2 380.242 1.574 20 30 GDEDLO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000419348716 531927241 /nfs/dbraw/zinc/92/72/41/531927241.db2.gz BUGLKENCLQOJJI-CQSZACIVSA-N 1 2 380.242 1.574 20 30 GDEDLO Cc1sc(NC(=O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)c(C#N)c1C ZINC000285589822 532096615 /nfs/dbraw/zinc/09/66/15/532096615.db2.gz XNVZUGWKOQUZNO-UHFFFAOYSA-N 1 2 384.527 1.436 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286667009 532168096 /nfs/dbraw/zinc/16/80/96/532168096.db2.gz UWYNYDYSOJOZJP-ZFWWWQNUSA-N 1 2 376.400 1.825 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 ZINC000286667009 532168097 /nfs/dbraw/zinc/16/80/97/532168097.db2.gz UWYNYDYSOJOZJP-ZFWWWQNUSA-N 1 2 376.400 1.825 20 30 GDEDLO COCCNC(=O)C[NH+]1CCN(c2cccc(Br)c2C#N)CC1 ZINC000275990814 532316915 /nfs/dbraw/zinc/31/69/15/532316915.db2.gz HNPNIPWYRLANEO-UHFFFAOYSA-N 1 2 381.274 1.205 20 30 GDEDLO COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000737032392 598986116 /nfs/dbraw/zinc/98/61/16/598986116.db2.gz KBSVMNDMJGKSMM-INIZCTEOSA-N 1 2 385.472 1.420 20 30 GDEDLO C(=[NH+]Nc1cccc(-c2nn[nH]n2)c1)c1c(N2CCOCC2)nc2ccccn21 ZINC000735397352 599147848 /nfs/dbraw/zinc/14/78/48/599147848.db2.gz BHZDRROVGYKCLP-UHFFFAOYSA-N 1 2 389.423 1.797 20 30 GDEDLO COc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1C#N ZINC000826195508 607513430 /nfs/dbraw/zinc/51/34/30/607513430.db2.gz WTWJWMVTFKKWQL-CYBMUJFWSA-N 1 2 391.439 1.248 20 30 GDEDLO COc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1C#N ZINC000826195508 607513431 /nfs/dbraw/zinc/51/34/31/607513431.db2.gz WTWJWMVTFKKWQL-CYBMUJFWSA-N 1 2 391.439 1.248 20 30 GDEDLO C=C(C)[C@@H](CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)OCC ZINC000823873917 607879435 /nfs/dbraw/zinc/87/94/35/607879435.db2.gz QGWRQJYMKDVVGU-GOSISDBHSA-N 1 2 384.484 1.882 20 30 GDEDLO C#CCOc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000823856290 608837497 /nfs/dbraw/zinc/83/74/97/608837497.db2.gz OLSSTXHRQBHENB-HNNXBMFYSA-N 1 2 390.451 1.379 20 30 GDEDLO C#CCOc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)cc1 ZINC000823856290 608837498 /nfs/dbraw/zinc/83/74/98/608837498.db2.gz OLSSTXHRQBHENB-HNNXBMFYSA-N 1 2 390.451 1.379 20 30 GDEDLO N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000568309272 650952170 /nfs/dbraw/zinc/95/21/70/650952170.db2.gz RGFRSBJKXDBCAR-SNVBAGLBSA-N 1 2 381.255 1.811 20 30 GDEDLO CC(C)(CNC(=O)c1ccc(S(N)(=O)=O)cc1Cl)[NH+]1CCOCC1 ZINC000330623128 645385741 /nfs/dbraw/zinc/38/57/41/645385741.db2.gz PDNAAJQDMIGCKO-UHFFFAOYSA-N 1 2 375.878 1.403 20 30 GDEDLO C[C@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)[C@H](C)C1 ZINC000907135831 659677214 /nfs/dbraw/zinc/67/72/14/659677214.db2.gz GXIBXEIVMPFJAA-OLZOCXBDSA-N 1 2 379.507 1.849 20 30 GDEDLO C[C@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)[C@H](C)C1 ZINC000907135831 659677218 /nfs/dbraw/zinc/67/72/18/659677218.db2.gz GXIBXEIVMPFJAA-OLZOCXBDSA-N 1 2 379.507 1.849 20 30 GDEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)[C@@H](C)C1 ZINC000907135832 659677252 /nfs/dbraw/zinc/67/72/52/659677252.db2.gz GXIBXEIVMPFJAA-QWHCGFSZSA-N 1 2 379.507 1.849 20 30 GDEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)[C@@H](C)C1 ZINC000907135832 659677255 /nfs/dbraw/zinc/67/72/55/659677255.db2.gz GXIBXEIVMPFJAA-QWHCGFSZSA-N 1 2 379.507 1.849 20 30 GDEDLO C[C@@H](O)C[N@@H+]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)[C@H](C)C1 ZINC000907135830 659677295 /nfs/dbraw/zinc/67/72/95/659677295.db2.gz GXIBXEIVMPFJAA-CHWSQXEVSA-N 1 2 379.507 1.849 20 30 GDEDLO C[C@@H](O)C[N@H+]1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)[C@H](C)C1 ZINC000907135830 659677298 /nfs/dbraw/zinc/67/72/98/659677298.db2.gz GXIBXEIVMPFJAA-CHWSQXEVSA-N 1 2 379.507 1.849 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)nc1 ZINC000579249207 651845226 /nfs/dbraw/zinc/84/52/26/651845226.db2.gz URLCVYFKRYVZBK-CVEARBPZSA-N 1 2 381.523 1.713 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)nc1 ZINC000579249207 651845234 /nfs/dbraw/zinc/84/52/34/651845234.db2.gz URLCVYFKRYVZBK-CVEARBPZSA-N 1 2 381.523 1.713 20 30 GDEDLO N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000601970446 652612254 /nfs/dbraw/zinc/61/22/54/652612254.db2.gz ZYEXYIFBNNWAFH-GFCCVEGCSA-N 1 2 381.255 1.811 20 30 GDEDLO N#CCCN1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000611173702 652909561 /nfs/dbraw/zinc/90/95/61/652909561.db2.gz HFHBFMOOFJJQGG-UHFFFAOYSA-N 1 2 376.258 1.488 20 30 GDEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)c3c[nH]nc3Cl)CC2)cc1 ZINC000829834288 654915640 /nfs/dbraw/zinc/91/56/40/654915640.db2.gz SQSSECPSEIPZQF-UHFFFAOYSA-N 1 2 379.873 1.831 20 30 GDEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)c3c[nH]nc3Cl)CC2)cc1 ZINC000829834288 654915643 /nfs/dbraw/zinc/91/56/43/654915643.db2.gz SQSSECPSEIPZQF-UHFFFAOYSA-N 1 2 379.873 1.831 20 30 GDEDLO C#C[C@@H]1COCCN1C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000838549045 655219492 /nfs/dbraw/zinc/21/94/92/655219492.db2.gz FVGPWIMEOSRKLJ-OAHLLOKOSA-N 1 2 391.269 1.991 20 30 GDEDLO NS(=O)(=O)c1cc(C(=NNCCCn2cc[nH+]c2)C2CC2)ccc1Cl ZINC000848416838 655489419 /nfs/dbraw/zinc/48/94/19/655489419.db2.gz ADTXNUFSSWKTDM-UHFFFAOYSA-N 1 2 381.889 1.978 20 30 GDEDLO C[C@]12C[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015843 656854375 /nfs/dbraw/zinc/85/43/75/656854375.db2.gz OJUCBQWQRSSSQR-RRQGHBQHSA-N 1 2 379.507 1.482 20 30 GDEDLO C[C@]12C[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880015843 656854381 /nfs/dbraw/zinc/85/43/81/656854381.db2.gz OJUCBQWQRSSSQR-RRQGHBQHSA-N 1 2 379.507 1.482 20 30 GDEDLO C[C@@H](NC(=O)Nc1ccc(Br)c(C#N)n1)[C@H](C)[NH+]1CCOCC1 ZINC000883087462 657269099 /nfs/dbraw/zinc/26/90/99/657269099.db2.gz XUFTYYLWLORRFZ-MNOVXSKESA-N 1 2 382.262 1.946 20 30 GDEDLO CC(C)N(CCCNC(=O)C[N@H+](C)Cc1cc(C#N)cs1)S(C)(=O)=O ZINC000933776106 657320038 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C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000041622393 530623476 /nfs/dbraw/zinc/62/34/76/530623476.db2.gz YBJHMXJCOXNMDC-FZMZJTMJSA-N 1 2 384.889 1.552 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000041622393 530623479 /nfs/dbraw/zinc/62/34/79/530623479.db2.gz YBJHMXJCOXNMDC-FZMZJTMJSA-N 1 2 384.889 1.552 20 30 GDEDLO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000052668244 530686396 /nfs/dbraw/zinc/68/63/96/530686396.db2.gz VFQKZUCEXFXPPA-AWEZNQCLSA-N 1 2 394.317 1.974 20 30 GDEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1Cl ZINC000069868224 530800069 /nfs/dbraw/zinc/80/00/69/530800069.db2.gz MMEYSJVVJLVYGO-AWEZNQCLSA-N 1 2 383.901 1.945 20 30 GDEDLO CS(=O)(=O)N[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000116994668 530911024 /nfs/dbraw/zinc/91/10/24/530911024.db2.gz QAAXZJAFJKQVQX-AWEZNQCLSA-N 1 2 384.889 1.210 20 30 GDEDLO CS(=O)(=O)N[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000116994668 530911027 /nfs/dbraw/zinc/91/10/27/530911027.db2.gz QAAXZJAFJKQVQX-AWEZNQCLSA-N 1 2 384.889 1.210 20 30 GDEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000188278789 530890200 /nfs/dbraw/zinc/89/02/00/530890200.db2.gz UCQUBEKYIWUEKW-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO C=CCC[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000121999642 530965336 /nfs/dbraw/zinc/96/53/36/530965336.db2.gz QEBPBNOGKXBGPE-GFCCVEGCSA-N 1 2 378.416 1.737 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000264176425 531171613 /nfs/dbraw/zinc/17/16/13/531171613.db2.gz NBGQZYXVVXREOW-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)ccc2F)CC1 ZINC000264176425 531171615 /nfs/dbraw/zinc/17/16/15/531171615.db2.gz NBGQZYXVVXREOW-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000264199024 531172784 /nfs/dbraw/zinc/17/27/84/531172784.db2.gz SELNFDDHCQMYKR-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2Br)CC1 ZINC000264199024 531172785 /nfs/dbraw/zinc/17/27/85/531172785.db2.gz SELNFDDHCQMYKR-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265007405 531220855 /nfs/dbraw/zinc/22/08/55/531220855.db2.gz GJIMWAUDYAOGRZ-CQSZACIVSA-N 1 2 383.539 1.904 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000265007405 531220861 /nfs/dbraw/zinc/22/08/61/531220861.db2.gz GJIMWAUDYAOGRZ-CQSZACIVSA-N 1 2 383.539 1.904 20 30 GDEDLO N#Cc1cncc(S(=O)(=O)N(CCn2cc[nH+]c2)C2CCSCC2)c1 ZINC000522014338 531253555 /nfs/dbraw/zinc/25/35/55/531253555.db2.gz SJIMZNDJNVQSIZ-UHFFFAOYSA-N 1 2 377.495 1.736 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1Br ZINC000278813051 531391979 /nfs/dbraw/zinc/39/19/79/531391979.db2.gz NQWMPGUCMFXYND-UHFFFAOYSA-N 1 2 388.287 1.009 20 30 GDEDLO CCOc1cc(C#N)cc(Br)c1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000414139621 531432775 /nfs/dbraw/zinc/43/27/75/531432775.db2.gz KYMWQXKLXIKHIO-CQSZACIVSA-N 1 2 398.301 1.707 20 30 GDEDLO N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000449867472 531479486 /nfs/dbraw/zinc/47/94/86/531479486.db2.gz GUZPKDKDIGXVJO-ZDUSSCGKSA-N 1 2 394.269 1.679 20 30 GDEDLO N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000449867472 531479493 /nfs/dbraw/zinc/47/94/93/531479493.db2.gz GUZPKDKDIGXVJO-ZDUSSCGKSA-N 1 2 394.269 1.679 20 30 GDEDLO C[C@H]([C@H](C)NC(=O)COc1ccc(C#N)c(Br)c1)[NH+]1CCOCC1 ZINC000449846279 531479969 /nfs/dbraw/zinc/47/99/69/531479969.db2.gz XBADVGKOZAURPX-QWHCGFSZSA-N 1 2 396.285 1.925 20 30 GDEDLO CC#CC[NH2+]Cc1cn(Cc2nnc(-c3ccc(Br)o3)o2)nn1 ZINC000640795328 531764397 /nfs/dbraw/zinc/76/43/97/531764397.db2.gz RIMUOPLXJJBTEF-UHFFFAOYSA-N 1 2 377.202 1.845 20 30 GDEDLO N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282814270 531799516 /nfs/dbraw/zinc/79/95/16/531799516.db2.gz SVDXQGUMVZHQRF-CQSZACIVSA-N 1 2 383.901 1.945 20 30 GDEDLO C=C(C)[C@H](CO)[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000678049906 531918051 /nfs/dbraw/zinc/91/80/51/531918051.db2.gz QJQQRKVJKZOLGT-INIZCTEOSA-N 1 2 383.286 1.909 20 30 GDEDLO COc1cc(C(N)=[NH+]OC[C@@H]2CCCS(=O)(=O)C2)cc(Cl)c1OC ZINC000283969681 531915213 /nfs/dbraw/zinc/91/52/13/531915213.db2.gz GJFFLMLRMOWAEV-JTQLQIEISA-N 1 2 376.862 1.819 20 30 GDEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O)c1cccc(Cl)c1 ZINC000470198389 532083446 /nfs/dbraw/zinc/08/34/46/532083446.db2.gz RBPSLMUHYSHJKN-OAHLLOKOSA-N 1 2 384.889 1.340 20 30 GDEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O)c1cccc(Cl)c1 ZINC000470198389 532083450 /nfs/dbraw/zinc/08/34/50/532083450.db2.gz RBPSLMUHYSHJKN-OAHLLOKOSA-N 1 2 384.889 1.340 20 30 GDEDLO COc1ccc(Br)c(CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC000329900858 532110227 /nfs/dbraw/zinc/11/02/27/532110227.db2.gz GKNBYBYBHRLIGF-GJZGRUSLSA-N 1 2 384.274 1.887 20 30 GDEDLO COc1ccc(Br)c(CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC000329900858 532110234 /nfs/dbraw/zinc/11/02/34/532110234.db2.gz GKNBYBYBHRLIGF-GJZGRUSLSA-N 1 2 384.274 1.887 20 30 GDEDLO Cn1[nH]c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)nc1=O ZINC000329255090 532100067 /nfs/dbraw/zinc/10/00/67/532100067.db2.gz BHMSDZHYITVYGF-SNVBAGLBSA-N 1 2 395.261 1.766 20 30 GDEDLO Cn1[nH]c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)nc1=O ZINC000329255090 532100072 /nfs/dbraw/zinc/10/00/72/532100072.db2.gz BHMSDZHYITVYGF-SNVBAGLBSA-N 1 2 395.261 1.766 20 30 GDEDLO Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N(C)CCCc1[nH]nc(N)c1C#N ZINC000822331302 606444162 /nfs/dbraw/zinc/44/41/62/606444162.db2.gz CESLQNZUSSYJDB-UHFFFAOYSA-N 1 2 388.439 1.969 20 30 GDEDLO N#Cc1ccc(C[NH+]2CCN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822825356 606849428 /nfs/dbraw/zinc/84/94/28/606849428.db2.gz BVMOJJAEKQOZLN-FQEVSTJZSA-N 1 2 389.463 1.590 20 30 GDEDLO C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[NH+]2CCC(CC#N)CC2)C1=O ZINC000824843222 609373137 /nfs/dbraw/zinc/37/31/37/609373137.db2.gz BPJYFXWANLDAJA-LJQANCHMSA-N 1 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ZINC000502312803 648162851 /nfs/dbraw/zinc/16/28/51/648162851.db2.gz LWKAHGOPKOUBMQ-GOSISDBHSA-N 1 2 382.913 1.818 20 30 GDEDLO O=S(=O)([C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000502312803 648162856 /nfs/dbraw/zinc/16/28/56/648162856.db2.gz LWKAHGOPKOUBMQ-GOSISDBHSA-N 1 2 382.913 1.818 20 30 GDEDLO C[C@H]1C[N@H+](CCOC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000838225783 655207867 /nfs/dbraw/zinc/20/78/67/655207867.db2.gz RSTNEAIYEXYHAD-LBPRGKRZSA-N 1 2 383.242 1.963 20 30 GDEDLO C[C@H]1C[N@@H+](CCOC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000838225783 655207869 /nfs/dbraw/zinc/20/78/69/655207869.db2.gz RSTNEAIYEXYHAD-LBPRGKRZSA-N 1 2 383.242 1.963 20 30 GDEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000864879443 655907680 /nfs/dbraw/zinc/90/76/80/655907680.db2.gz KNVAPGCFRPZXCY-KBPBESRZSA-N 1 2 375.897 1.859 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)C1 ZINC000923560921 656571104 /nfs/dbraw/zinc/57/11/04/656571104.db2.gz NETOAQMDIJFQHQ-JTQLQIEISA-N 1 2 375.903 1.185 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)C1 ZINC000923560921 656571109 /nfs/dbraw/zinc/57/11/09/656571109.db2.gz NETOAQMDIJFQHQ-JTQLQIEISA-N 1 2 375.903 1.185 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933702379 657300202 /nfs/dbraw/zinc/30/02/02/657300202.db2.gz VRUGEKQOOKNCHX-KGLIPLIRSA-N 1 2 383.539 1.760 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933702379 657300206 /nfs/dbraw/zinc/30/02/06/657300206.db2.gz VRUGEKQOOKNCHX-KGLIPLIRSA-N 1 2 383.539 1.760 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@H](c2cccc(Br)c2)C1 ZINC000884109558 657325873 /nfs/dbraw/zinc/32/58/73/657325873.db2.gz KCSRVNPKDAUVLW-GJZGRUSLSA-N 1 2 397.269 1.796 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)Oc1ccc(Br)cc1 ZINC000884155433 657330976 /nfs/dbraw/zinc/33/09/76/657330976.db2.gz BVNMUMOJJQXUMS-FZMZJTMJSA-N 1 2 385.258 1.779 20 30 GDEDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907247141 659708779 /nfs/dbraw/zinc/70/87/79/659708779.db2.gz ARWFDFNJHOQCRZ-QWHCGFSZSA-N 1 2 379.507 1.849 20 30 GDEDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907247141 659708782 /nfs/dbraw/zinc/70/87/82/659708782.db2.gz ARWFDFNJHOQCRZ-QWHCGFSZSA-N 1 2 379.507 1.849 20 30 GDEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(Br)c(C#N)c2)C1 ZINC000908273387 659891482 /nfs/dbraw/zinc/89/14/82/659891482.db2.gz RAHLBFKGDHSEMX-GFCCVEGCSA-N 1 2 375.244 1.360 20 30 GDEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)Oc2ccc(Br)c(C#N)c2)C1 ZINC000908273387 659891490 /nfs/dbraw/zinc/89/14/90/659891490.db2.gz RAHLBFKGDHSEMX-GFCCVEGCSA-N 1 2 375.244 1.360 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)cc(C#N)n1 ZINC001164698850 719850537 /nfs/dbraw/zinc/85/05/37/719850537.db2.gz DXEUUTMXSXYECU-MAUKXSAKSA-N 1 2 378.860 1.839 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C)cc1C=NO ZINC001164702391 719863648 /nfs/dbraw/zinc/86/36/48/719863648.db2.gz IUWCDFLLXCHQKD-VQIMIIECSA-N 1 2 376.457 1.431 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(OC)c(C#N)cc1F ZINC001164702998 719866046 /nfs/dbraw/zinc/86/60/46/719866046.db2.gz JNNNGUIPYHZGBP-KUHUBIRLSA-N 1 2 392.431 1.334 20 30 GDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C)c3C#N)C2)C1 ZINC001164717786 720216712 /nfs/dbraw/zinc/21/67/12/720216712.db2.gz IGODEKDXZPSURO-LJQANCHMSA-N 1 2 391.903 1.580 20 30 GDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C)c3C#N)C2)C1 ZINC001164717786 720216728 /nfs/dbraw/zinc/21/67/28/720216728.db2.gz IGODEKDXZPSURO-LJQANCHMSA-N 1 2 391.903 1.580 20 30 GDEDLO COc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncc1C#N ZINC001164947150 721968840 /nfs/dbraw/zinc/96/88/40/721968840.db2.gz PUMLEMITYKHLLJ-UHFFFAOYSA-N 1 2 391.475 1.933 20 30 GDEDLO COc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncc1C#N ZINC001164947150 721968842 /nfs/dbraw/zinc/96/88/42/721968842.db2.gz PUMLEMITYKHLLJ-UHFFFAOYSA-N 1 2 391.475 1.933 20 30 GDEDLO C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573292322 946934140 /nfs/dbraw/zinc/93/41/40/946934140.db2.gz SZPOIZCBLDYYLB-AWEZNQCLSA-N 1 2 380.250 1.298 20 30 GDEDLO C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573292322 946934145 /nfs/dbraw/zinc/93/41/45/946934145.db2.gz SZPOIZCBLDYYLB-AWEZNQCLSA-N 1 2 380.250 1.298 20 30 GDEDLO C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573292544 946936245 /nfs/dbraw/zinc/93/62/45/946936245.db2.gz XJZVEQALKVVYRR-NSHDSACASA-N 1 2 380.250 1.298 20 30 GDEDLO C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573292544 946936254 /nfs/dbraw/zinc/93/62/54/946936254.db2.gz XJZVEQALKVVYRR-NSHDSACASA-N 1 2 380.250 1.298 20 30 GDEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573292880 946942376 /nfs/dbraw/zinc/94/23/76/946942376.db2.gz GDVCAEHWTDUGJC-INIZCTEOSA-N 1 2 384.484 1.786 20 30 GDEDLO C=C(C)C(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCO1 ZINC001573292880 946942393 /nfs/dbraw/zinc/94/23/93/946942393.db2.gz GDVCAEHWTDUGJC-INIZCTEOSA-N 1 2 384.484 1.786 20 30 GDEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C[C@@H](C)O2 ZINC001573295107 947009932 /nfs/dbraw/zinc/00/99/32/947009932.db2.gz MKGFPKBIGDMUAX-PXAZEXFGSA-N 1 2 391.863 1.253 20 30 GDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C[C@@H](C)O2 ZINC001573295107 947009945 /nfs/dbraw/zinc/00/99/45/947009945.db2.gz MKGFPKBIGDMUAX-PXAZEXFGSA-N 1 2 391.863 1.253 20 30 GDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000031238856 530602416 /nfs/dbraw/zinc/60/24/16/530602416.db2.gz NKUCNWNCMRHHQF-NSHDSACASA-N 1 2 397.273 1.720 20 30 GDEDLO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000031238856 530602422 /nfs/dbraw/zinc/60/24/22/530602422.db2.gz NKUCNWNCMRHHQF-NSHDSACASA-N 1 2 397.273 1.720 20 30 GDEDLO CN(CCC#N)S(=O)(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000045799427 530646635 /nfs/dbraw/zinc/64/66/35/530646635.db2.gz UYBZOKGYJSWSNH-UHFFFAOYSA-N 1 2 386.905 1.427 20 30 GDEDLO Cc1cc(NC(=O)CO[NH+]=C(N)CN2CCOCC2)ccc1Br ZINC000111182144 530872763 /nfs/dbraw/zinc/87/27/63/530872763.db2.gz YYGUCBYKLQBOPC-UHFFFAOYSA-N 1 2 385.262 1.317 20 30 GDEDLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000185433514 530841490 /nfs/dbraw/zinc/84/14/90/530841490.db2.gz NRSIQDXAMUYSGO-UHFFFAOYSA-N 1 2 384.933 1.906 20 30 GDEDLO C[C@@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)S1 ZINC000125810068 531010984 /nfs/dbraw/zinc/01/09/84/531010984.db2.gz HXEVDIRTSHSROY-SNVBAGLBSA-N 1 2 386.449 1.634 20 30 GDEDLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 ZINC000432946897 531214164 /nfs/dbraw/zinc/21/41/64/531214164.db2.gz YNOZMSRDIHKCAC-UHFFFAOYSA-N 1 2 388.287 1.273 20 30 GDEDLO C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435430891 531262173 /nfs/dbraw/zinc/26/21/73/531262173.db2.gz AXMYDJWZINTKGJ-CYBMUJFWSA-N 1 2 381.479 1.722 20 30 GDEDLO C[N@H+](CCC#N)C[C@@H](O)Cn1cnc2cc(F)c(Br)cc2c1=O ZINC000414145942 531432161 /nfs/dbraw/zinc/43/21/61/531432161.db2.gz KVZNHVMUOCZAIT-SNVBAGLBSA-N 1 2 383.221 1.504 20 30 GDEDLO C[N@@H+](CCC#N)C[C@@H](O)Cn1cnc2cc(F)c(Br)cc2c1=O ZINC000414145942 531432165 /nfs/dbraw/zinc/43/21/65/531432165.db2.gz KVZNHVMUOCZAIT-SNVBAGLBSA-N 1 2 383.221 1.504 20 30 GDEDLO C[NH+]1CCC(C#N)(NC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)CC1 ZINC000611324324 531532254 /nfs/dbraw/zinc/53/22/54/531532254.db2.gz GSCNTEUHKDJXAI-UHFFFAOYSA-N 1 2 375.903 1.420 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000589820577 531676077 /nfs/dbraw/zinc/67/60/77/531676077.db2.gz ZMQORRHNQLVYRM-UHFFFAOYSA-N 1 2 386.905 1.035 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000618999731 531701259 /nfs/dbraw/zinc/70/12/59/531701259.db2.gz WHOQREPULIMISC-YGRLFVJLSA-N 1 2 388.287 1.318 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000618999731 531701262 /nfs/dbraw/zinc/70/12/62/531701262.db2.gz WHOQREPULIMISC-YGRLFVJLSA-N 1 2 388.287 1.318 20 30 GDEDLO CCN1C(=O)[C@H]2C[N@H+](Cc3ccc(C#N)cc3Br)CCN2C1=O ZINC000367893402 531874138 /nfs/dbraw/zinc/87/41/38/531874138.db2.gz MCRVTLGNVUIWCO-CQSZACIVSA-N 1 2 377.242 1.789 20 30 GDEDLO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(C#N)cc3Br)CCN2C1=O ZINC000367893402 531874149 /nfs/dbraw/zinc/87/41/49/531874149.db2.gz MCRVTLGNVUIWCO-CQSZACIVSA-N 1 2 377.242 1.789 20 30 GDEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000284112011 531930415 /nfs/dbraw/zinc/93/04/15/531930415.db2.gz TUABDTUPOSWVDZ-ZDUSSCGKSA-N 1 2 385.917 1.753 20 30 GDEDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)COc1cccc(Br)c1C#N ZINC000597994263 531962982 /nfs/dbraw/zinc/96/29/82/531962982.db2.gz JDGPLJLCKXUWAE-OLZOCXBDSA-N 1 2 396.285 1.925 20 30 GDEDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)COc1cccc(Br)c1C#N ZINC000597994263 531962985 /nfs/dbraw/zinc/96/29/85/531962985.db2.gz JDGPLJLCKXUWAE-OLZOCXBDSA-N 1 2 396.285 1.925 20 30 GDEDLO CN(C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1)S(C)(=O)=O ZINC000299399652 531987277 /nfs/dbraw/zinc/98/72/77/531987277.db2.gz WLNUCIQIEBMWMG-UHFFFAOYSA-N 1 2 384.889 1.506 20 30 GDEDLO N#Cc1cc(Nc2cnn(CC[NH+]3CCOCC3)c2)ncc1Br ZINC000603288418 532089237 /nfs/dbraw/zinc/08/92/37/532089237.db2.gz JMQBTMRUVGTHHF-UHFFFAOYSA-N 1 2 377.246 1.988 20 30 GDEDLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)C[C@H](C)O1 ZINC000329622838 532108114 /nfs/dbraw/zinc/10/81/14/532108114.db2.gz NORJECVIIAWXNU-OKILXGFUSA-N 1 2 375.535 1.297 20 30 GDEDLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)C[C@H](C)O1 ZINC000329622838 532108121 /nfs/dbraw/zinc/10/81/21/532108121.db2.gz NORJECVIIAWXNU-OKILXGFUSA-N 1 2 375.535 1.297 20 30 GDEDLO C[N@@H+]1CCO[C@H]2CN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)C[C@H]21 ZINC000330353234 532119787 /nfs/dbraw/zinc/11/97/87/532119787.db2.gz OFLXEKJLPFGESR-CABCVRRESA-N 1 2 387.889 1.346 20 30 GDEDLO C[N@H+]1CCO[C@H]2CN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)C[C@H]21 ZINC000330353234 532119789 /nfs/dbraw/zinc/11/97/89/532119789.db2.gz OFLXEKJLPFGESR-CABCVRRESA-N 1 2 387.889 1.346 20 30 GDEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000287640887 532230026 /nfs/dbraw/zinc/23/00/26/532230026.db2.gz BWPVRGOAEZPDAC-UHFFFAOYSA-N 1 2 388.287 1.009 20 30 GDEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000287640887 532230027 /nfs/dbraw/zinc/23/00/27/532230027.db2.gz BWPVRGOAEZPDAC-UHFFFAOYSA-N 1 2 388.287 1.009 20 30 GDEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000275412532 532293825 /nfs/dbraw/zinc/29/38/25/532293825.db2.gz PMORXRFXWJEYIH-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1=S ZINC000817690357 597537811 /nfs/dbraw/zinc/53/78/11/597537811.db2.gz YPQQDBSMMWEPEG-HNNXBMFYSA-N 1 2 379.530 1.992 20 30 GDEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c1=S ZINC000817690357 597537813 /nfs/dbraw/zinc/53/78/13/597537813.db2.gz YPQQDBSMMWEPEG-HNNXBMFYSA-N 1 2 379.530 1.992 20 30 GDEDLO C=C(C)C[NH+]1CCC(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[nH]n3)c2C)CC1 ZINC000735399691 598361552 /nfs/dbraw/zinc/36/15/52/598361552.db2.gz SVJHZZQMDVVANA-UHFFFAOYSA-N 1 2 399.499 1.673 20 30 GDEDLO C=CCOCC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000735437708 598819291 /nfs/dbraw/zinc/81/92/91/598819291.db2.gz PGOFSVCFRCXZKA-UHFFFAOYSA-N 1 2 379.424 1.266 20 30 GDEDLO C[C@@H]1C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)[C@@H](C)CN1Cc1ccnc(C#N)c1 ZINC000826232462 607554833 /nfs/dbraw/zinc/55/48/33/607554833.db2.gz NXPOLJDYGUIPAD-CABCVRRESA-N 1 2 389.467 1.623 20 30 GDEDLO C[C@@H]1C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)[C@@H](C)CN1Cc1ccnc(C#N)c1 ZINC000826232462 607554835 /nfs/dbraw/zinc/55/48/35/607554835.db2.gz NXPOLJDYGUIPAD-CABCVRRESA-N 1 2 389.467 1.623 20 30 GDEDLO C=CCOc1cccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000823932153 608833587 /nfs/dbraw/zinc/83/35/87/608833587.db2.gz QLCBFSKHVRIPMN-HNNXBMFYSA-N 1 2 392.467 1.932 20 30 GDEDLO C=CCOc1cccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC000823932153 608833589 /nfs/dbraw/zinc/83/35/89/608833589.db2.gz QLCBFSKHVRIPMN-HNNXBMFYSA-N 1 2 392.467 1.932 20 30 GDEDLO C[C@H](C#N)CNC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000824034010 609410708 /nfs/dbraw/zinc/41/07/08/609410708.db2.gz FKFUSGBHSFYYRY-CYBMUJFWSA-N 1 2 391.439 1.406 20 30 GDEDLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccsc2C#N)CC1 ZINC000594470765 652300746 /nfs/dbraw/zinc/30/07/46/652300746.db2.gz BUFRAYPYWXRVKG-UHFFFAOYSA-N 1 2 384.527 1.231 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613633570 652958693 /nfs/dbraw/zinc/95/86/93/652958693.db2.gz GULWNCHVPLXZHI-GJZGRUSLSA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613633570 652958694 /nfs/dbraw/zinc/95/86/94/652958694.db2.gz GULWNCHVPLXZHI-GJZGRUSLSA-N 1 2 385.555 1.665 20 30 GDEDLO C#CCNC(=O)CN1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000744236236 654725778 /nfs/dbraw/zinc/72/57/78/654725778.db2.gz IEJXCMNAIKXXFR-UHFFFAOYSA-N 1 2 380.286 1.195 20 30 GDEDLO CCOC(=O)C1=C(C(C)=O)[C@H](c2cc(-n3cc[nH+]c3)cs2)NC(=S)N1 ZINC000783940506 654873995 /nfs/dbraw/zinc/87/39/95/654873995.db2.gz UCHXHRWQALIHTC-ZDUSSCGKSA-N 1 2 376.463 1.859 20 30 GDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@@H](O)c3cc(Br)no3)C2)nc1 ZINC000878642340 656739413 /nfs/dbraw/zinc/73/94/13/656739413.db2.gz ZZLVMDDHZJVENA-NWDGAFQWSA-N 1 2 379.214 1.890 20 30 GDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)c3cc(Br)no3)C2)nc1 ZINC000878642340 656739418 /nfs/dbraw/zinc/73/94/18/656739418.db2.gz ZZLVMDDHZJVENA-NWDGAFQWSA-N 1 2 379.214 1.890 20 30 GDEDLO C=CCN1CC[C@H]([NH2+][C@@H](CO)c2ccccc2I)C1=O ZINC000934828161 657381370 /nfs/dbraw/zinc/38/13/70/657381370.db2.gz MZYGVHXYOYIJMY-KBPBESRZSA-N 1 2 386.233 1.701 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000891606290 658255087 /nfs/dbraw/zinc/25/50/87/658255087.db2.gz FCYMVCHYUCIHIX-CQSZACIVSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)ccc2C)C1 ZINC000891606290 658255089 /nfs/dbraw/zinc/25/50/89/658255089.db2.gz FCYMVCHYUCIHIX-CQSZACIVSA-N 1 2 378.270 1.910 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2c(C#N)sc3ccccc32)[C@@H](C)C[N@@H+]1CCO ZINC000907247139 659708281 /nfs/dbraw/zinc/70/82/81/659708281.db2.gz ARWFDFNJHOQCRZ-OLZOCXBDSA-N 1 2 379.507 1.849 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2c(C#N)sc3ccccc32)[C@@H](C)C[N@H+]1CCO ZINC000907247139 659708285 /nfs/dbraw/zinc/70/82/85/659708285.db2.gz ARWFDFNJHOQCRZ-OLZOCXBDSA-N 1 2 379.507 1.849 20 30 GDEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(Br)c(C#N)c2)C1 ZINC000908273388 659891418 /nfs/dbraw/zinc/89/14/18/659891418.db2.gz RAHLBFKGDHSEMX-LBPRGKRZSA-N 1 2 375.244 1.360 20 30 GDEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)Oc2ccc(Br)c(C#N)c2)C1 ZINC000908273388 659891426 /nfs/dbraw/zinc/89/14/26/659891426.db2.gz RAHLBFKGDHSEMX-LBPRGKRZSA-N 1 2 375.244 1.360 20 30 GDEDLO N#Cc1ccc(OCC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)cc1Br ZINC000913452579 660080360 /nfs/dbraw/zinc/08/03/60/660080360.db2.gz CCKIKHSTYNIYJP-OAHLLOKOSA-N 1 2 390.241 1.596 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C)cc1C=NO ZINC001164702387 719863349 /nfs/dbraw/zinc/86/33/49/719863349.db2.gz IUWCDFLLXCHQKD-APWZRJJASA-N 1 2 376.457 1.431 20 30 GDEDLO COc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ncc1C#N ZINC001164943633 721971339 /nfs/dbraw/zinc/97/13/39/721971339.db2.gz ANSXKAUHDDCFFJ-UHFFFAOYSA-N 1 2 392.463 1.328 20 30 GDEDLO COc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ncc1C#N ZINC001164943633 721971343 /nfs/dbraw/zinc/97/13/43/721971343.db2.gz ANSXKAUHDDCFFJ-UHFFFAOYSA-N 1 2 392.463 1.328 20 30 GDEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573294353 946986377 /nfs/dbraw/zinc/98/63/77/946986377.db2.gz CYXNIIIUSJBXAU-ROUUACIJSA-N 1 2 382.468 1.491 20 30 GDEDLO C=C(C)CCC(=O)N(C)CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001573299634 947096828 /nfs/dbraw/zinc/09/68/28/947096828.db2.gz KNBXAGPJOUFKEC-UHFFFAOYSA-N 1 2 384.488 1.198 20 30 GDEDLO COCC[NH+](CCOC)C1CC[NH+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001599237034 997965092 /nfs/dbraw/zinc/96/50/92/997965092.db2.gz IJBPTZJRAFMSKI-LJQANCHMSA-N 1 2 375.469 1.743 20 30 GDEDLO CC(=O)NC(C)(C)C(N)=[NH+]OCc1ccc(I)cc1 ZINC000174151957 530644924 /nfs/dbraw/zinc/64/49/24/530644924.db2.gz LFFPQTAVCPALIF-UHFFFAOYSA-N 1 2 375.210 1.995 20 30 GDEDLO Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c(Br)n1 ZINC000125483630 531006414 /nfs/dbraw/zinc/00/64/14/531006414.db2.gz KMURZOAMJSZCJO-UHFFFAOYSA-N 1 2 381.274 1.841 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000128239905 531039092 /nfs/dbraw/zinc/03/90/92/531039092.db2.gz PRBMRLBCBRCPTL-GXFFZTMASA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[C@H]1C[N@@H+](C)CCO1 ZINC000128239905 531039095 /nfs/dbraw/zinc/03/90/95/531039095.db2.gz PRBMRLBCBRCPTL-GXFFZTMASA-N 1 2 377.388 1.574 20 30 GDEDLO N#Cc1cccc(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1 ZINC000131884180 531076328 /nfs/dbraw/zinc/07/63/28/531076328.db2.gz MHONSWGACHZVIX-UHFFFAOYSA-N 1 2 376.404 1.509 20 30 GDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000521583201 531248863 /nfs/dbraw/zinc/24/88/63/531248863.db2.gz YCWDBIXUTIWJJC-UHFFFAOYSA-N 1 2 391.490 1.126 20 30 GDEDLO C[C@@H]1C[NH+]=C(N2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)S1 ZINC000267645003 531441380 /nfs/dbraw/zinc/44/13/80/531441380.db2.gz WMIWZXSNYNTWIH-OCCSQVGLSA-N 1 2 375.523 1.834 20 30 GDEDLO C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000583510080 531580242 /nfs/dbraw/zinc/58/02/42/531580242.db2.gz GETUHAYCIDLLLE-NSHDSACASA-N 1 2 383.455 1.133 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)c(C(F)(F)F)c1 ZINC000295480917 531586851 /nfs/dbraw/zinc/58/68/51/531586851.db2.gz ZPPJZOMQBMNMEI-UHFFFAOYSA-N 1 2 377.388 1.312 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000494311394 531596061 /nfs/dbraw/zinc/59/60/61/531596061.db2.gz LWIBOTLLXGTDTH-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1CCO ZINC000494311394 531596063 /nfs/dbraw/zinc/59/60/63/531596063.db2.gz LWIBOTLLXGTDTH-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(C)(C)CO ZINC000451738383 531674033 /nfs/dbraw/zinc/67/40/33/531674033.db2.gz HUCCUFKQEZQVRA-AWEZNQCLSA-N 1 2 382.873 1.983 20 30 GDEDLO CCN(CC)C(=O)C[N@@H+]1CCCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593529548 531839813 /nfs/dbraw/zinc/83/98/13/531839813.db2.gz AWOGHMBJQWWPLU-UHFFFAOYSA-N 1 2 384.527 1.185 20 30 GDEDLO CCN(CC)C(=O)C[N@H+]1CCCN(S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593529548 531839818 /nfs/dbraw/zinc/83/98/18/531839818.db2.gz AWOGHMBJQWWPLU-UHFFFAOYSA-N 1 2 384.527 1.185 20 30 GDEDLO C=CC[C@@H](CO)CNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000455959511 531887957 /nfs/dbraw/zinc/88/79/57/531887957.db2.gz VLHMPVMHOQROIV-GFCCVEGCSA-N 1 2 399.289 1.987 20 30 GDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419650584 531948213 /nfs/dbraw/zinc/94/82/13/531948213.db2.gz OCVRTIIFXYXSGN-LLVKDONJSA-N 1 2 395.257 1.096 20 30 GDEDLO C[C@@H]1C[N@H+](CCNC(=O)COc2cccc(Br)c2C#N)[C@@H](C)CO1 ZINC000597994266 531962764 /nfs/dbraw/zinc/96/27/64/531962764.db2.gz JDGPLJLCKXUWAE-QWHCGFSZSA-N 1 2 396.285 1.925 20 30 GDEDLO C[C@@H]1C[N@@H+](CCNC(=O)COc2cccc(Br)c2C#N)[C@@H](C)CO1 ZINC000597994266 531962772 /nfs/dbraw/zinc/96/27/72/531962772.db2.gz JDGPLJLCKXUWAE-QWHCGFSZSA-N 1 2 396.285 1.925 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000312054406 532055001 /nfs/dbraw/zinc/05/50/01/532055001.db2.gz YKHFHDPBOFXZCQ-HNNXBMFYSA-N 1 2 377.491 1.799 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000312054406 532055006 /nfs/dbraw/zinc/05/50/06/532055006.db2.gz YKHFHDPBOFXZCQ-HNNXBMFYSA-N 1 2 377.491 1.799 20 30 GDEDLO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1CS(N)(=O)=O)c1cccc(Cl)c1 ZINC000470198388 532083842 /nfs/dbraw/zinc/08/38/42/532083842.db2.gz RBPSLMUHYSHJKN-HNNXBMFYSA-N 1 2 384.889 1.340 20 30 GDEDLO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O)c1cccc(Cl)c1 ZINC000470198388 532083847 /nfs/dbraw/zinc/08/38/47/532083847.db2.gz RBPSLMUHYSHJKN-HNNXBMFYSA-N 1 2 384.889 1.340 20 30 GDEDLO C[NH+](C)[C@@]1(C[NH+]=C([O-])N2CCn3c(nnc3C(F)(F)F)C2)CCSC1 ZINC000330043351 532113128 /nfs/dbraw/zinc/11/31/28/532113128.db2.gz AFUKJQUIZMHRKZ-CYBMUJFWSA-N 1 2 378.424 1.464 20 30 GDEDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287356886 532210348 /nfs/dbraw/zinc/21/03/48/532210348.db2.gz XWIYZUFIHFLIGW-AWEZNQCLSA-N 1 2 397.273 1.478 20 30 GDEDLO Cn1cc(Br)c(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000393351726 532300775 /nfs/dbraw/zinc/30/07/75/532300775.db2.gz XLXSZWOZAQBEDR-UHFFFAOYSA-N 1 2 383.271 1.618 20 30 GDEDLO N#Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1-c1nn[nH]n1 ZINC000737706730 599198046 /nfs/dbraw/zinc/19/80/46/599198046.db2.gz YMDPFBSVENJZAH-GOSISDBHSA-N 1 2 389.419 1.578 20 30 GDEDLO N#Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1-c1nn[nH]n1 ZINC000737706730 599198050 /nfs/dbraw/zinc/19/80/50/599198050.db2.gz YMDPFBSVENJZAH-GOSISDBHSA-N 1 2 389.419 1.578 20 30 GDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cccc(Cl)c2-c2nn[nH]n2)CC1 ZINC000823919267 607609169 /nfs/dbraw/zinc/60/91/69/607609169.db2.gz BCXQKIKINPSTTC-UHFFFAOYSA-N 1 2 382.877 1.449 20 30 GDEDLO NC(=NOCc1cccc(-c2nn[nH]n2)c1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000826389072 608152961 /nfs/dbraw/zinc/15/29/61/608152961.db2.gz PHUUMTMDFFLBHC-UHFFFAOYSA-N 1 2 393.451 1.536 20 30 GDEDLO CC1(C#N)CC[NH+](CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)CC1 ZINC000824779835 609142357 /nfs/dbraw/zinc/14/23/57/609142357.db2.gz XEUGZFTUQDNONN-UHFFFAOYSA-N 1 2 391.439 1.617 20 30 GDEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000573189253 651470338 /nfs/dbraw/zinc/47/03/38/651470338.db2.gz DAWMXIBKALGKJP-LBPRGKRZSA-N 1 2 381.255 1.811 20 30 GDEDLO C=C(Br)CNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000775417497 654666226 /nfs/dbraw/zinc/66/62/26/654666226.db2.gz CZSAOIJZQXIJOM-GFCCVEGCSA-N 1 2 391.310 1.745 20 30 GDEDLO C=C(Br)CNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000775417497 654666228 /nfs/dbraw/zinc/66/62/28/654666228.db2.gz CZSAOIJZQXIJOM-GFCCVEGCSA-N 1 2 391.310 1.745 20 30 GDEDLO C[C@@H](C#N)OCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000801919039 654935927 /nfs/dbraw/zinc/93/59/27/654935927.db2.gz ACRDOBAQHCECRE-AWEZNQCLSA-N 1 2 396.285 1.901 20 30 GDEDLO C#CCN1C(=O)C[C@H]([NH+]2CCN(c3ccc(Br)cc3)CC2)C1=O ZINC000849181830 655520396 /nfs/dbraw/zinc/52/03/96/655520396.db2.gz WNWKIJZHAKNBHM-HNNXBMFYSA-N 1 2 376.254 1.332 20 30 GDEDLO C=C(C[NH+](C)C)C(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000857746311 655741065 /nfs/dbraw/zinc/74/10/65/655741065.db2.gz FJDXMJRSUHRGFY-NXEZZACHSA-N 1 2 375.313 1.705 20 30 GDEDLO N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@H](O)c3cc(Br)no3)C2)nc1 ZINC000878642341 656739628 /nfs/dbraw/zinc/73/96/28/656739628.db2.gz ZZLVMDDHZJVENA-RYUDHWBXSA-N 1 2 379.214 1.890 20 30 GDEDLO N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)c3cc(Br)no3)C2)nc1 ZINC000878642341 656739631 /nfs/dbraw/zinc/73/96/31/656739631.db2.gz ZZLVMDDHZJVENA-RYUDHWBXSA-N 1 2 379.214 1.890 20 30 GDEDLO CC(C)(CNC(=O)COc1ccc(Br)c(C#N)c1)[NH+]1CCOCC1 ZINC000901713532 659229791 /nfs/dbraw/zinc/22/97/91/659229791.db2.gz XVDCKTRKIRJUHP-UHFFFAOYSA-N 1 2 396.285 1.927 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(Cl)c(C#N)n1 ZINC001164701507 719842456 /nfs/dbraw/zinc/84/24/56/719842456.db2.gz MHXHVVGUTJXMPM-UGSOOPFHSA-N 1 2 378.860 1.839 20 30 GDEDLO Cc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C=NO)c1 ZINC001164916310 721791159 /nfs/dbraw/zinc/79/11/59/721791159.db2.gz POQLNNDEIBCKNB-NRFANRHFSA-N 1 2 397.479 1.701 20 30 GDEDLO Cc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C=NO)c1 ZINC001164916310 721791158 /nfs/dbraw/zinc/79/11/58/721791158.db2.gz POQLNNDEIBCKNB-NRFANRHFSA-N 1 2 397.479 1.701 20 30 GDEDLO Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(C#N)n1 ZINC001164945724 721977717 /nfs/dbraw/zinc/97/77/17/721977717.db2.gz FLYLBVYKQJAWNN-UHFFFAOYSA-N 1 2 376.464 1.628 20 30 GDEDLO Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(C#N)n1 ZINC001164945724 721977720 /nfs/dbraw/zinc/97/77/20/721977720.db2.gz FLYLBVYKQJAWNN-UHFFFAOYSA-N 1 2 376.464 1.628 20 30 GDEDLO C=C(Br)C[N@H+](CCC)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573291687 946922173 /nfs/dbraw/zinc/92/21/73/946922173.db2.gz IDGCPPJWVFWSKT-UHFFFAOYSA-N 1 2 382.266 1.545 20 30 GDEDLO C=C(Br)C[N@@H+](CCC)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573291687 946922183 /nfs/dbraw/zinc/92/21/83/946922183.db2.gz IDGCPPJWVFWSKT-UHFFFAOYSA-N 1 2 382.266 1.545 20 30 GDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C[C@@H](C)O2 ZINC001573294766 946996732 /nfs/dbraw/zinc/99/67/32/946996732.db2.gz GPXRVIDNAYLPRA-SJKOYZFVSA-N 1 2 391.863 1.253 20 30 GDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C[C@@H](C)O2 ZINC001573294766 946996749 /nfs/dbraw/zinc/99/67/49/946996749.db2.gz GPXRVIDNAYLPRA-SJKOYZFVSA-N 1 2 391.863 1.253 20 30 GDEDLO Cc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)cc[nH+]1 ZINC000184956964 530834781 /nfs/dbraw/zinc/83/47/81/530834781.db2.gz OXFYADAAVUIMFG-UHFFFAOYSA-N 1 2 377.857 1.821 20 30 GDEDLO C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000113498102 530890260 /nfs/dbraw/zinc/89/02/60/530890260.db2.gz YZJKKAASPBTMPM-SNVBAGLBSA-N 1 2 386.271 1.702 20 30 GDEDLO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000113944321 530892135 /nfs/dbraw/zinc/89/21/35/530892135.db2.gz LQNUQHCZLULXBR-CQSZACIVSA-N 1 2 383.901 1.945 20 30 GDEDLO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 ZINC000195067298 531014697 /nfs/dbraw/zinc/01/46/97/531014697.db2.gz JSCWQRWQSZCWQD-UHFFFAOYSA-N 1 2 376.404 1.463 20 30 GDEDLO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 ZINC000195067298 531014701 /nfs/dbraw/zinc/01/47/01/531014701.db2.gz JSCWQRWQSZCWQD-UHFFFAOYSA-N 1 2 376.404 1.463 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)Nc1ccc(Br)cc1 ZINC000157720488 531207032 /nfs/dbraw/zinc/20/70/32/531207032.db2.gz GPQFQDQSOZXVEZ-UHFFFAOYSA-N 1 2 395.301 1.935 20 30 GDEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000411416105 531322038 /nfs/dbraw/zinc/32/20/38/531322038.db2.gz CITNVJQBBQETBB-JKSUJKDBSA-N 1 2 377.286 1.910 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Cc1ccc(Br)cc1O ZINC000477605803 531332326 /nfs/dbraw/zinc/33/23/26/531332326.db2.gz IBJMIPLQXMEPID-UHFFFAOYSA-N 1 2 396.285 1.772 20 30 GDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293012458 531395587 /nfs/dbraw/zinc/39/55/87/531395587.db2.gz KNOGMNKYVXEBAJ-LLVKDONJSA-N 1 2 395.257 1.096 20 30 GDEDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449848429 531479577 /nfs/dbraw/zinc/47/95/77/531479577.db2.gz JLZCYEOBXLKIJD-ZDUSSCGKSA-N 1 2 395.301 1.452 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2sccc2Br)CC1 ZINC000294726458 531493632 /nfs/dbraw/zinc/49/36/32/531493632.db2.gz XATMNICYTCDMCI-UHFFFAOYSA-N 1 2 398.326 1.337 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2sccc2Br)CC1 ZINC000294726458 531493635 /nfs/dbraw/zinc/49/36/35/531493635.db2.gz XATMNICYTCDMCI-UHFFFAOYSA-N 1 2 398.326 1.337 20 30 GDEDLO N#CC1(NC(=O)C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)CCC1 ZINC000364134842 531539424 /nfs/dbraw/zinc/53/94/24/531539424.db2.gz IDXSDRGMCJXELC-UHFFFAOYSA-N 1 2 382.511 1.053 20 30 GDEDLO C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)CC2)S1 ZINC000295370025 531566808 /nfs/dbraw/zinc/56/68/08/531566808.db2.gz ZUYMMDMSOYIXQS-LBPRGKRZSA-N 1 2 382.486 1.636 20 30 GDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000269387129 531660813 /nfs/dbraw/zinc/66/08/13/531660813.db2.gz ZVJSATLUQJGEQA-UHFFFAOYSA-N 1 2 375.263 1.918 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1Br ZINC000592388563 531784394 /nfs/dbraw/zinc/78/43/94/531784394.db2.gz BPVGLKYVSYXTGN-LLVKDONJSA-N 1 2 380.214 1.548 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511649012 531796498 /nfs/dbraw/zinc/79/64/98/531796498.db2.gz RBHVKJLQEANKKD-DZGCQCFKSA-N 1 2 376.400 1.825 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000511649012 531796504 /nfs/dbraw/zinc/79/65/04/531796504.db2.gz RBHVKJLQEANKKD-DZGCQCFKSA-N 1 2 376.400 1.825 20 30 GDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)CC1 ZINC000283199903 531838233 /nfs/dbraw/zinc/83/82/33/531838233.db2.gz NDFGOHFDZOSEMS-UHFFFAOYSA-N 1 2 388.511 1.027 20 30 GDEDLO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000297889201 531832178 /nfs/dbraw/zinc/83/21/78/531832178.db2.gz QODLPLGWJZYKMC-UHFFFAOYSA-N 1 2 385.917 1.707 20 30 GDEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000598584418 531987685 /nfs/dbraw/zinc/98/76/85/531987685.db2.gz LTGPYDVJBZBNHR-CQSZACIVSA-N 1 2 385.917 1.947 20 30 GDEDLO C[C@@H](CNC(=O)CCn1cc(Br)ccc1=O)[NH+]1CCN(C)CC1 ZINC000328769443 532093914 /nfs/dbraw/zinc/09/39/14/532093914.db2.gz INECKFHJTDETNS-ZDUSSCGKSA-N 1 2 385.306 1.593 20 30 GDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@H]21 ZINC000329463253 532103943 /nfs/dbraw/zinc/10/39/43/532103943.db2.gz UIJNDLALMULLLP-CHWSQXEVSA-N 1 2 392.257 1.953 20 30 GDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@H]21 ZINC000329463253 532103947 /nfs/dbraw/zinc/10/39/47/532103947.db2.gz UIJNDLALMULLLP-CHWSQXEVSA-N 1 2 392.257 1.953 20 30 GDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@@H]21 ZINC000329463255 532104446 /nfs/dbraw/zinc/10/44/46/532104446.db2.gz UIJNDLALMULLLP-QWHCGFSZSA-N 1 2 392.257 1.953 20 30 GDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@@H]21 ZINC000329463255 532104448 /nfs/dbraw/zinc/10/44/48/532104448.db2.gz UIJNDLALMULLLP-QWHCGFSZSA-N 1 2 392.257 1.953 20 30 GDEDLO Cc1ncc(S(=O)(=O)N2CC[NH+](CCc3cccs3)CC2)cc1C#N ZINC000332266779 532176748 /nfs/dbraw/zinc/17/67/48/532176748.db2.gz HSCBDSQNGRIRPH-UHFFFAOYSA-N 1 2 376.507 1.872 20 30 GDEDLO C[C@](C#N)(NC(=O)C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000735502998 598765996 /nfs/dbraw/zinc/76/59/96/598765996.db2.gz DTNWBASRBRRSBW-HXUWFJFHSA-N 1 2 395.467 1.518 20 30 GDEDLO COc1ccc(CNc2[nH+]cnc3c2cnn3CCC#N)cc1-c1nn[nH]n1 ZINC000826204787 607560550 /nfs/dbraw/zinc/56/05/50/607560550.db2.gz ZYGACMCWNMABEB-UHFFFAOYSA-N 1 2 376.384 1.541 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000820804710 606778964 /nfs/dbraw/zinc/77/89/64/606778964.db2.gz XVXCEPLMWUAAQJ-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000820804710 606778966 /nfs/dbraw/zinc/77/89/66/606778966.db2.gz XVXCEPLMWUAAQJ-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO O=C(CN1CCCS1(=O)=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000329934241 645336387 /nfs/dbraw/zinc/33/63/87/645336387.db2.gz JQXKGQLDQJAIFE-STQMWFEESA-N 1 2 375.491 1.653 20 30 GDEDLO O=C(CN1CCCS1(=O)=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000329934241 645336393 /nfs/dbraw/zinc/33/63/93/645336393.db2.gz JQXKGQLDQJAIFE-STQMWFEESA-N 1 2 375.491 1.653 20 30 GDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(Cl)c1 ZINC000439448120 646233768 /nfs/dbraw/zinc/23/37/68/646233768.db2.gz SCNGBUMZPSHYAH-INIZCTEOSA-N 1 2 383.901 1.838 20 30 GDEDLO N#Cc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(Cl)c1 ZINC000439448120 646233772 /nfs/dbraw/zinc/23/37/72/646233772.db2.gz SCNGBUMZPSHYAH-INIZCTEOSA-N 1 2 383.901 1.838 20 30 GDEDLO O=S(=O)([C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)N1CCOCC1 ZINC000502376095 648164232 /nfs/dbraw/zinc/16/42/32/648164232.db2.gz FHEABIPTLREVTC-GOSISDBHSA-N 1 2 382.913 1.818 20 30 GDEDLO O=S(=O)([C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)N1CCOCC1 ZINC000502376095 648164238 /nfs/dbraw/zinc/16/42/38/648164238.db2.gz FHEABIPTLREVTC-GOSISDBHSA-N 1 2 382.913 1.818 20 30 GDEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602885019 652652611 /nfs/dbraw/zinc/65/26/11/652652611.db2.gz YCHIMCJOYKRDOM-LBPRGKRZSA-N 1 2 383.246 1.309 20 30 GDEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000602885019 652652615 /nfs/dbraw/zinc/65/26/15/652652615.db2.gz YCHIMCJOYKRDOM-LBPRGKRZSA-N 1 2 383.246 1.309 20 30 GDEDLO C[C@H](C#N)OCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000801929019 654935860 /nfs/dbraw/zinc/93/58/60/654935860.db2.gz NUNFSGCTIKMZQN-CQSZACIVSA-N 1 2 395.301 1.934 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000813442175 655236726 /nfs/dbraw/zinc/23/67/26/655236726.db2.gz GKUBHUUSANAPIZ-UHFFFAOYSA-N 1 2 378.885 1.780 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000813442175 655236729 /nfs/dbraw/zinc/23/67/29/655236729.db2.gz GKUBHUUSANAPIZ-UHFFFAOYSA-N 1 2 378.885 1.780 20 30 GDEDLO Cn1nc(Br)c2c1ncnc2N=NCC(C)(C)[NH+]1CCOCC1 ZINC000841622977 655351511 /nfs/dbraw/zinc/35/15/11/655351511.db2.gz BBSCEWABYDYCEJ-UHFFFAOYSA-N 1 2 382.266 1.634 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cncc(Br)c2C)CC1 ZINC000826553460 655498758 /nfs/dbraw/zinc/49/87/58/655498758.db2.gz BSJCSOWGYHMRKJ-UHFFFAOYSA-N 1 2 393.285 1.050 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cncc(Br)c2C)CC1 ZINC000826553460 655498760 /nfs/dbraw/zinc/49/87/60/655498760.db2.gz BSJCSOWGYHMRKJ-UHFFFAOYSA-N 1 2 393.285 1.050 20 30 GDEDLO CS(=O)(=O)N1CC[C@H](CO[NH+]=C(N)c2ccc(Br)cc2)C1 ZINC000853685327 655647205 /nfs/dbraw/zinc/64/72/05/655647205.db2.gz TZZHLGAFHIZAPD-JTQLQIEISA-N 1 2 376.276 1.368 20 30 GDEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000865092487 655912037 /nfs/dbraw/zinc/91/20/37/655912037.db2.gz RGUCEQXKQCANKI-ZIAGYGMSSA-N 1 2 375.897 1.859 20 30 GDEDLO C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000865092487 655912039 /nfs/dbraw/zinc/91/20/39/655912039.db2.gz RGUCEQXKQCANKI-ZIAGYGMSSA-N 1 2 375.897 1.859 20 30 GDEDLO N#CCCN1CC[NH+](Cn2nc(Br)c(=O)c3ccccc32)CC1 ZINC000872733844 656375446 /nfs/dbraw/zinc/37/54/46/656375446.db2.gz OPSOSLJILKGMNQ-UHFFFAOYSA-N 1 2 376.258 1.648 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)Oc1cccc(Br)c1 ZINC000884155977 657330992 /nfs/dbraw/zinc/33/09/92/657330992.db2.gz OYIIOVNFZPPSCB-FZMZJTMJSA-N 1 2 385.258 1.779 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000891606488 658255033 /nfs/dbraw/zinc/25/50/33/658255033.db2.gz NWKHHYYORFOZDG-CQSZACIVSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2C)C1 ZINC000891606488 658255037 /nfs/dbraw/zinc/25/50/37/658255037.db2.gz NWKHHYYORFOZDG-CQSZACIVSA-N 1 2 378.270 1.910 20 30 GDEDLO C[C@@H](NC(=O)COc1cccc(Br)c1C#N)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896533295 658784672 /nfs/dbraw/zinc/78/46/72/658784672.db2.gz HQCJHZVDYHCLPL-DOMZBBRYSA-N 1 2 395.301 1.450 20 30 GDEDLO C[C@@H](NC(=O)COc1cccc(Br)c1C#N)[C@@H]1CN(C)CC[N@H+]1C ZINC000896533295 658784680 /nfs/dbraw/zinc/78/46/80/658784680.db2.gz HQCJHZVDYHCLPL-DOMZBBRYSA-N 1 2 395.301 1.450 20 30 GDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000902937889 659284866 /nfs/dbraw/zinc/28/48/66/659284866.db2.gz ODOVLSWUWQWVNX-LLVKDONJSA-N 1 2 382.262 1.948 20 30 GDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncccc1C#N)C2 ZINC001164826240 720431427 /nfs/dbraw/zinc/43/14/27/720431427.db2.gz OXCAQDBTACVESL-QGZVFWFLSA-N 1 2 382.468 1.139 20 30 GDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000041622395 530623417 /nfs/dbraw/zinc/62/34/17/530623417.db2.gz YBJHMXJCOXNMDC-RISCZKNCSA-N 1 2 384.889 1.552 20 30 GDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000041622395 530623419 /nfs/dbraw/zinc/62/34/19/530623419.db2.gz YBJHMXJCOXNMDC-RISCZKNCSA-N 1 2 384.889 1.552 20 30 GDEDLO CCNS(=O)(=O)[C@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000179462998 530742406 /nfs/dbraw/zinc/74/24/06/530742406.db2.gz LKDPYEQAAPEYFO-HNNXBMFYSA-N 1 2 376.400 1.950 20 30 GDEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000179462998 530742408 /nfs/dbraw/zinc/74/24/08/530742408.db2.gz LKDPYEQAAPEYFO-HNNXBMFYSA-N 1 2 376.400 1.950 20 30 GDEDLO N#CCCCS(=O)(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000092316201 530811985 /nfs/dbraw/zinc/81/19/85/530811985.db2.gz VBYJLUIBEFATGH-UHFFFAOYSA-N 1 2 381.889 1.739 20 30 GDEDLO CS(=O)(=O)N1CCN(c2ccc(NCc3ccc(C#N)s3)c[nH+]2)CC1 ZINC000119683619 530929627 /nfs/dbraw/zinc/92/96/27/530929627.db2.gz SVGXFKSMLFYWCW-UHFFFAOYSA-N 1 2 377.495 1.708 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000125901685 531011435 /nfs/dbraw/zinc/01/14/35/531011435.db2.gz PJXQMBCTGSCGMX-YGRLFVJLSA-N 1 2 388.287 1.318 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000125901685 531011436 /nfs/dbraw/zinc/01/14/36/531011436.db2.gz PJXQMBCTGSCGMX-YGRLFVJLSA-N 1 2 388.287 1.318 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1cncc(Br)c1 ZINC000126764297 531021977 /nfs/dbraw/zinc/02/19/77/531021977.db2.gz LRTUBNALIJYNAJ-UHFFFAOYSA-N 1 2 382.262 1.924 20 30 GDEDLO CN(CCC#N)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000133311673 531089943 /nfs/dbraw/zinc/08/99/43/531089943.db2.gz QOUIWJAAEPFSJC-JKSUJKDBSA-N 1 2 386.905 1.392 20 30 GDEDLO CN(CCC#N)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000133311673 531089946 /nfs/dbraw/zinc/08/99/46/531089946.db2.gz QOUIWJAAEPFSJC-JKSUJKDBSA-N 1 2 386.905 1.392 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000264220960 531173960 /nfs/dbraw/zinc/17/39/60/531173960.db2.gz YDYCGTXATDAIRM-UHFFFAOYSA-N 1 2 392.297 1.275 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(Br)cc2)CC1 ZINC000264220960 531173963 /nfs/dbraw/zinc/17/39/63/531173963.db2.gz YDYCGTXATDAIRM-UHFFFAOYSA-N 1 2 392.297 1.275 20 30 GDEDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000157424271 531206597 /nfs/dbraw/zinc/20/65/97/531206597.db2.gz JTYRLEHJTHPGAV-UHFFFAOYSA-N 1 2 384.889 1.043 20 30 GDEDLO N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000265181544 531232491 /nfs/dbraw/zinc/23/24/91/531232491.db2.gz GTSKLBNCPCUGGO-ZDUSSCGKSA-N 1 2 382.511 1.241 20 30 GDEDLO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000265181544 531232497 /nfs/dbraw/zinc/23/24/97/531232497.db2.gz GTSKLBNCPCUGGO-ZDUSSCGKSA-N 1 2 382.511 1.241 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)cc1C(F)(F)F ZINC000435155443 531255258 /nfs/dbraw/zinc/25/52/58/531255258.db2.gz LRGLTFBRAXSXIY-UHFFFAOYSA-N 1 2 379.429 1.904 20 30 GDEDLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610992923 531521484 /nfs/dbraw/zinc/52/14/84/531521484.db2.gz SPKANSONLUBDPL-UHFFFAOYSA-N 1 2 376.404 1.742 20 30 GDEDLO NC(=[NH+]OCC(=O)Nc1cccc(I)c1)[C@@H]1CCCO1 ZINC000284000420 531918374 /nfs/dbraw/zinc/91/83/74/531918374.db2.gz HHJJUVSHIANKRX-NSHDSACASA-N 1 2 389.193 1.698 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(OC)cc2Br)CC1 ZINC000576952160 532030066 /nfs/dbraw/zinc/03/00/66/532030066.db2.gz SNYZOXYIXVSODE-UHFFFAOYSA-N 1 2 382.302 1.878 20 30 GDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000599690917 532036618 /nfs/dbraw/zinc/03/66/18/532036618.db2.gz BHSTUYHZOXWMGY-LBPRGKRZSA-N 1 2 384.889 1.411 20 30 GDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000599690917 532036623 /nfs/dbraw/zinc/03/66/23/532036623.db2.gz BHSTUYHZOXWMGY-LBPRGKRZSA-N 1 2 384.889 1.411 20 30 GDEDLO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000602446386 532076844 /nfs/dbraw/zinc/07/68/44/532076844.db2.gz AWHQLWFCKSBHFV-UHFFFAOYSA-N 1 2 376.507 1.979 20 30 GDEDLO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000602446386 532076847 /nfs/dbraw/zinc/07/68/47/532076847.db2.gz AWHQLWFCKSBHFV-UHFFFAOYSA-N 1 2 376.507 1.979 20 30 GDEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000272705370 532110546 /nfs/dbraw/zinc/11/05/46/532110546.db2.gz WYUMGLGASIVQHB-MRXNPFEDSA-N 1 2 377.286 1.864 20 30 GDEDLO N#Cc1ccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1-c1nn[nH]n1 ZINC000737715567 599197879 /nfs/dbraw/zinc/19/78/79/599197879.db2.gz BGTJVHBGIUHUIM-GOSISDBHSA-N 1 2 389.419 1.578 20 30 GDEDLO N#Cc1ccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1-c1nn[nH]n1 ZINC000737715567 599197881 /nfs/dbraw/zinc/19/78/81/599197881.db2.gz BGTJVHBGIUHUIM-GOSISDBHSA-N 1 2 389.419 1.578 20 30 GDEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1=S ZINC000817690361 597537636 /nfs/dbraw/zinc/53/76/36/597537636.db2.gz YPQQDBSMMWEPEG-OAHLLOKOSA-N 1 2 379.530 1.992 20 30 GDEDLO C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1=S ZINC000817690361 597537638 /nfs/dbraw/zinc/53/76/38/597537638.db2.gz YPQQDBSMMWEPEG-OAHLLOKOSA-N 1 2 379.530 1.992 20 30 GDEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC000821770376 607507984 /nfs/dbraw/zinc/50/79/84/607507984.db2.gz RHACRHSUZNOXDL-UHFFFAOYSA-N 1 2 376.424 1.464 20 30 GDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820804596 606778836 /nfs/dbraw/zinc/77/88/36/606778836.db2.gz VPDQRIHXFLFANU-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820804596 606778838 /nfs/dbraw/zinc/77/88/38/606778838.db2.gz VPDQRIHXFLFANU-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000820804386 606785387 /nfs/dbraw/zinc/78/53/87/606785387.db2.gz RQRXGFJVPGELBR-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000820804386 606785389 /nfs/dbraw/zinc/78/53/89/606785389.db2.gz RQRXGFJVPGELBR-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000921438302 660300345 /nfs/dbraw/zinc/30/03/45/660300345.db2.gz XIPNCQILIJFOAS-UHFFFAOYSA-N 1 2 375.263 1.964 20 30 GDEDLO CS(=O)(=O)NCC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000463216236 647553082 /nfs/dbraw/zinc/55/30/82/647553082.db2.gz XMHWYLVXLOSPNU-UHFFFAOYSA-N 1 2 376.400 1.950 20 30 GDEDLO CS(=O)(=O)NCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000463216236 647553085 /nfs/dbraw/zinc/55/30/85/647553085.db2.gz XMHWYLVXLOSPNU-UHFFFAOYSA-N 1 2 376.400 1.950 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)nc1 ZINC000579249226 651845283 /nfs/dbraw/zinc/84/52/83/651845283.db2.gz URLCVYFKRYVZBK-JKSUJKDBSA-N 1 2 381.523 1.713 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)nc1 ZINC000579249226 651845290 /nfs/dbraw/zinc/84/52/90/651845290.db2.gz URLCVYFKRYVZBK-JKSUJKDBSA-N 1 2 381.523 1.713 20 30 GDEDLO N#Cc1cc(Br)ccc1CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000593520913 652215678 /nfs/dbraw/zinc/21/56/78/652215678.db2.gz RUKKXDMHTQDQGN-INIZCTEOSA-N 1 2 378.270 1.796 20 30 GDEDLO N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000598938353 652476171 /nfs/dbraw/zinc/47/61/71/652476171.db2.gz CXKSIYQGFCVNQP-AWEZNQCLSA-N 1 2 386.253 1.695 20 30 GDEDLO N#Cc1ccc(Br)c(Cn2cc(CC[NH+]3CCOCC3)nn2)c1 ZINC000603242320 652688477 /nfs/dbraw/zinc/68/84/77/652688477.db2.gz SRBHOOGEXBUFPT-UHFFFAOYSA-N 1 2 376.258 1.835 20 30 GDEDLO CCS(=O)(=O)C=C(C)NNc1ccc(S(=O)(=O)N2CCCCC2)c[nH+]1 ZINC000733745059 654521453 /nfs/dbraw/zinc/52/14/53/654521453.db2.gz ZAOLWWLIVQOGLK-UHFFFAOYSA-N 1 2 388.515 1.479 20 30 GDEDLO N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000742399941 654704860 /nfs/dbraw/zinc/70/48/60/654704860.db2.gz BCGRHXPYTSUEKC-UHFFFAOYSA-N 1 2 377.495 1.374 20 30 GDEDLO N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000742399941 654704861 /nfs/dbraw/zinc/70/48/61/654704861.db2.gz BCGRHXPYTSUEKC-UHFFFAOYSA-N 1 2 377.495 1.374 20 30 GDEDLO C=C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787887920 654974764 /nfs/dbraw/zinc/97/47/64/654974764.db2.gz GSIAKMRIFVZQSZ-LBPRGKRZSA-N 1 2 395.301 1.830 20 30 GDEDLO C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787897689 654974952 /nfs/dbraw/zinc/97/49/52/654974952.db2.gz DXJLTDBAFKYDLT-GFCCVEGCSA-N 1 2 393.285 1.277 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C)Cn2cc[nH+]c2)s1 ZINC000820177623 655404222 /nfs/dbraw/zinc/40/42/22/655404222.db2.gz ZZBFDRCBLABGPV-ZDUSSCGKSA-N 1 2 382.511 1.404 20 30 GDEDLO NC(=[NH+]OCc1cn(C[C@@H]2CCOC2)nn1)c1ccc(Br)cc1 ZINC000871741359 656278061 /nfs/dbraw/zinc/27/80/61/656278061.db2.gz QKMOOEDJDVDRSF-NSHDSACASA-N 1 2 380.246 1.914 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000884211557 657334842 /nfs/dbraw/zinc/33/48/42/657334842.db2.gz HXXPPOYUJHBJSV-HIFRSBDPSA-N 1 2 396.285 1.591 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOC[C@H]1c1ccc(Br)cc1 ZINC000884406002 657353530 /nfs/dbraw/zinc/35/35/30/657353530.db2.gz JPSYWEYSWAITIN-GJZGRUSLSA-N 1 2 397.269 1.796 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)n2cc[nH+]c2)s1 ZINC000912614345 660045636 /nfs/dbraw/zinc/04/56/36/660045636.db2.gz LRAQVWKJQJVWCM-UHFFFAOYSA-N 1 2 382.511 1.503 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C#N)cc(Cl)n1 ZINC001164697263 719837398 /nfs/dbraw/zinc/83/73/98/719837398.db2.gz CFUCSECDEWFTNR-KBXCAEBGSA-N 1 2 378.860 1.839 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C#N)cc(Cl)n1 ZINC001164697269 719837404 /nfs/dbraw/zinc/83/74/04/719837404.db2.gz CFUCSECDEWFTNR-RDTXWAMCSA-N 1 2 378.860 1.839 20 30 GDEDLO Cc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cnc1C#N ZINC001164914919 721792014 /nfs/dbraw/zinc/79/20/14/721792014.db2.gz HVLWLJHXEDYRKU-HXUWFJFHSA-N 1 2 380.452 1.160 20 30 GDEDLO Cc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cnc1C#N ZINC001164914919 721792020 /nfs/dbraw/zinc/79/20/20/721792020.db2.gz HVLWLJHXEDYRKU-HXUWFJFHSA-N 1 2 380.452 1.160 20 30 GDEDLO CC(C)(C)C#CC(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573793697 949304123 /nfs/dbraw/zinc/30/41/23/949304123.db2.gz WJDJMRVIZKOTLT-KRWDZBQOSA-N 1 2 382.468 1.233 20 30 GDEDLO CC(C)(C)C#CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573793697 949304146 /nfs/dbraw/zinc/30/41/46/949304146.db2.gz WJDJMRVIZKOTLT-KRWDZBQOSA-N 1 2 382.468 1.233 20 30 GDEDLO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001574974585 949990223 /nfs/dbraw/zinc/99/02/23/949990223.db2.gz BPEIEQIUHXWXIL-NSHDSACASA-N 1 2 382.403 1.456 20 30 GDEDLO C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001574974585 949990238 /nfs/dbraw/zinc/99/02/38/949990238.db2.gz BPEIEQIUHXWXIL-NSHDSACASA-N 1 2 382.403 1.456 20 30 GDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000171536971 530600553 /nfs/dbraw/zinc/60/05/53/530600553.db2.gz GZABWLNHDZQRFD-UHFFFAOYSA-N 1 2 392.930 1.672 20 30 GDEDLO CN1CC[C@H]([NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O ZINC000181437372 530783546 /nfs/dbraw/zinc/78/35/46/530783546.db2.gz ABVRAMWCYDBRNZ-JKSUJKDBSA-N 1 2 377.286 1.862 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000104064654 530837159 /nfs/dbraw/zinc/83/71/59/530837159.db2.gz AWOVPFJYVQQHAU-NSHDSACASA-N 1 2 384.889 1.539 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000104133078 530837877 /nfs/dbraw/zinc/83/78/77/530837877.db2.gz BYGVQLSRHXIWLN-UHFFFAOYSA-N 1 2 394.269 1.052 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000104133078 530837878 /nfs/dbraw/zinc/83/78/78/530837878.db2.gz BYGVQLSRHXIWLN-UHFFFAOYSA-N 1 2 394.269 1.052 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000114330451 530893828 /nfs/dbraw/zinc/89/38/28/530893828.db2.gz QHKIILWMJYWJFP-UHFFFAOYSA-N 1 2 398.326 1.337 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(Br)s2)CC1 ZINC000114330451 530893830 /nfs/dbraw/zinc/89/38/30/530893830.db2.gz QHKIILWMJYWJFP-UHFFFAOYSA-N 1 2 398.326 1.337 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000125780505 531010855 /nfs/dbraw/zinc/01/08/55/531010855.db2.gz WTNZPFVIGAAAQF-ZWNOBZJWSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000125780505 531010857 /nfs/dbraw/zinc/01/08/57/531010857.db2.gz WTNZPFVIGAAAQF-ZWNOBZJWSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000125980508 531013196 /nfs/dbraw/zinc/01/31/96/531013196.db2.gz SJAIIINZHHLYMW-HZMBPMFUSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000125980508 531013197 /nfs/dbraw/zinc/01/31/97/531013197.db2.gz SJAIIINZHHLYMW-HZMBPMFUSA-N 1 2 377.388 1.574 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000194045645 530998773 /nfs/dbraw/zinc/99/87/73/530998773.db2.gz XHEPZOYGZFJIOI-UHFFFAOYSA-N 1 2 382.291 1.820 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(Cl)c2Cl)CC1 ZINC000194045645 530998775 /nfs/dbraw/zinc/99/87/75/530998775.db2.gz XHEPZOYGZFJIOI-UHFFFAOYSA-N 1 2 382.291 1.820 20 30 GDEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000245527252 531057563 /nfs/dbraw/zinc/05/75/63/531057563.db2.gz COILRJIZJYQORP-RISCZKNCSA-N 1 2 384.889 1.552 20 30 GDEDLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000245527252 531057566 /nfs/dbraw/zinc/05/75/66/531057566.db2.gz COILRJIZJYQORP-RISCZKNCSA-N 1 2 384.889 1.552 20 30 GDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000276858089 531234748 /nfs/dbraw/zinc/23/47/48/531234748.db2.gz AVAOYRPYKKIBFL-HNNXBMFYSA-N 1 2 383.901 1.943 20 30 GDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000276858089 531234753 /nfs/dbraw/zinc/23/47/53/531234753.db2.gz AVAOYRPYKKIBFL-HNNXBMFYSA-N 1 2 383.901 1.943 20 30 GDEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[NH+]1CCSCC1 ZINC000443082441 531385320 /nfs/dbraw/zinc/38/53/20/531385320.db2.gz YLLHOHZHUHVEKX-UHFFFAOYSA-N 1 2 379.429 1.904 20 30 GDEDLO C[N@H+](CCC#N)C[C@@H](O)COc1cc(C#N)ccc1I ZINC000414123644 531431345 /nfs/dbraw/zinc/43/13/45/531431345.db2.gz JMTZKVIIYGQGCY-GFCCVEGCSA-N 1 2 385.205 1.748 20 30 GDEDLO C[N@@H+](CCC#N)C[C@@H](O)COc1cc(C#N)ccc1I ZINC000414123644 531431348 /nfs/dbraw/zinc/43/13/48/531431348.db2.gz JMTZKVIIYGQGCY-GFCCVEGCSA-N 1 2 385.205 1.748 20 30 GDEDLO N#Cc1cc(Br)ccc1C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000450256324 531490754 /nfs/dbraw/zinc/49/07/54/531490754.db2.gz PMWWXBJSKFPKSJ-UHFFFAOYSA-N 1 2 382.258 1.087 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000610614792 531511694 /nfs/dbraw/zinc/51/16/94/531511694.db2.gz DUIBEPFVZNWUKH-LBPRGKRZSA-N 1 2 384.889 1.506 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000610614792 531511696 /nfs/dbraw/zinc/51/16/96/531511696.db2.gz DUIBEPFVZNWUKH-LBPRGKRZSA-N 1 2 384.889 1.506 20 30 GDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)COc1cccc(Br)c1C#N ZINC000451287241 531583770 /nfs/dbraw/zinc/58/37/70/531583770.db2.gz QQSKQDIIHDUJKD-CYBMUJFWSA-N 1 2 396.285 1.879 20 30 GDEDLO COc1cc[nH+]cc1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000560220831 531632010 /nfs/dbraw/zinc/63/20/10/531632010.db2.gz NCWLGIYBWGXEFD-UHFFFAOYSA-N 1 2 389.209 1.979 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1cc(Br)ccc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000591327005 531715088 /nfs/dbraw/zinc/71/50/88/531715088.db2.gz WKXGHWAANHKTMP-ZWNOBZJWSA-N 1 2 388.287 1.318 20 30 GDEDLO CC(=O)N1CC[NH+](CCNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593409281 531833118 /nfs/dbraw/zinc/83/31/18/531833118.db2.gz XKGLRSNKXZCJGB-UHFFFAOYSA-N 1 2 393.285 1.144 20 30 GDEDLO N#Cc1sccc1S(=O)(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000593536597 531841671 /nfs/dbraw/zinc/84/16/71/531841671.db2.gz FGOCVAYVWIINSB-UHFFFAOYSA-N 1 2 397.444 1.895 20 30 GDEDLO CCCO[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000329154068 532097171 /nfs/dbraw/zinc/09/71/71/532097171.db2.gz AKHAZQCYZWJVIA-ZIAGYGMSSA-N 1 2 375.491 1.325 20 30 GDEDLO CCCO[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000329154068 532097177 /nfs/dbraw/zinc/09/71/77/532097177.db2.gz AKHAZQCYZWJVIA-ZIAGYGMSSA-N 1 2 375.491 1.325 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)c(C(F)(F)F)c1 ZINC000273590301 532158734 /nfs/dbraw/zinc/15/87/34/532158734.db2.gz LMCFXYKUGIXEMA-UHFFFAOYSA-N 1 2 377.388 1.266 20 30 GDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000332662972 532204447 /nfs/dbraw/zinc/20/44/47/532204447.db2.gz PDHJZJOKUCQWBC-KKUMJFAQSA-N 1 2 388.534 1.929 20 30 GDEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000332662972 532204449 /nfs/dbraw/zinc/20/44/49/532204449.db2.gz PDHJZJOKUCQWBC-KKUMJFAQSA-N 1 2 388.534 1.929 20 30 GDEDLO C[C@@](C#N)(NC(=O)C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1)C1CC1 ZINC000735503202 598250153 /nfs/dbraw/zinc/25/01/53/598250153.db2.gz HYMOLXYLLUYOSU-FQEVSTJZSA-N 1 2 395.467 1.518 20 30 GDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)CC1 ZINC000921437428 660300510 /nfs/dbraw/zinc/30/05/10/660300510.db2.gz XEZIWEVIRXJOTF-UHFFFAOYSA-N 1 2 381.523 1.029 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)cn1 ZINC000601514864 652590569 /nfs/dbraw/zinc/59/05/69/652590569.db2.gz MFHHLBYHQWCUIO-UHFFFAOYSA-N 1 2 375.479 1.380 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000602425663 652636599 /nfs/dbraw/zinc/63/65/99/652636599.db2.gz SPKPRJBAOFWJAA-UHFFFAOYSA-N 1 2 386.905 1.035 20 30 GDEDLO C#CC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC=C)CC1 ZINC000800777586 654895356 /nfs/dbraw/zinc/89/53/56/654895356.db2.gz NIWYXXUBUUMESF-UHFFFAOYSA-N 1 2 389.301 1.987 20 30 GDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000799088649 655284703 /nfs/dbraw/zinc/28/47/03/655284703.db2.gz HTBUDXVWRZNQMT-HNNXBMFYSA-N 1 2 393.285 1.717 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000799088649 655284705 /nfs/dbraw/zinc/28/47/05/655284705.db2.gz HTBUDXVWRZNQMT-HNNXBMFYSA-N 1 2 393.285 1.717 20 30 GDEDLO Cn1cc(I)c(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000819353159 655390422 /nfs/dbraw/zinc/39/04/22/655390422.db2.gz ABQZOMLZDCHMGG-CQSZACIVSA-N 1 2 382.205 1.720 20 30 GDEDLO C=CC[NH+]1CCC(NS(=O)(=O)N=[S@](C)(=O)c2ccccc2F)CC1 ZINC000866744284 655958282 /nfs/dbraw/zinc/95/82/82/655958282.db2.gz GIVXUDWRGPESTP-HSZRJFAPSA-N 1 2 375.491 1.767 20 30 GDEDLO C#CC[NH+]1CCC(NC(=O)c2cnc(I)c(O)c2)CC1 ZINC000928649661 656920018 /nfs/dbraw/zinc/92/00/18/656920018.db2.gz PFQZDSWHKYFEEY-UHFFFAOYSA-N 1 2 385.205 1.219 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOc2cccc(Br)c2C1 ZINC000884390739 657352409 /nfs/dbraw/zinc/35/24/09/657352409.db2.gz FOFPXQQFIRSKKD-ZDUSSCGKSA-N 1 2 383.242 1.617 20 30 GDEDLO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ncc(Br)cn2)cc1 ZINC000905670183 659474370 /nfs/dbraw/zinc/47/43/70/659474370.db2.gz ZJDMIPIAHJSAES-AWEZNQCLSA-N 1 2 377.242 1.835 20 30 GDEDLO Cn1cc([C@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CC[NH2+]2)cn1 ZINC000913456952 660080509 /nfs/dbraw/zinc/08/05/09/660080509.db2.gz PFVXAMLNHWKQLC-MRXNPFEDSA-N 1 2 388.269 1.770 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)ncc1C#N ZINC001164702693 719842019 /nfs/dbraw/zinc/84/20/19/719842019.db2.gz OYQDZOSFCZWKQZ-KDOFPFPSSA-N 1 2 378.860 1.839 20 30 GDEDLO COc1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C#N ZINC001164910334 721778348 /nfs/dbraw/zinc/77/83/48/721778348.db2.gz BFVKHENNTTVZHB-NRFANRHFSA-N 1 2 395.463 1.465 20 30 GDEDLO COc1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C#N ZINC001164910334 721778350 /nfs/dbraw/zinc/77/83/50/721778350.db2.gz BFVKHENNTTVZHB-NRFANRHFSA-N 1 2 395.463 1.465 20 30 GDEDLO N#Cc1ncc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1C#N ZINC001164946428 721979386 /nfs/dbraw/zinc/97/93/86/721979386.db2.gz FMWYBAHHOOLHFR-UHFFFAOYSA-N 1 2 387.447 1.191 20 30 GDEDLO N#Cc1ncc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1C#N ZINC001164946428 721979388 /nfs/dbraw/zinc/97/93/88/721979388.db2.gz FMWYBAHHOOLHFR-UHFFFAOYSA-N 1 2 387.447 1.191 20 30 GDEDLO C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573292292 946930108 /nfs/dbraw/zinc/93/01/08/946930108.db2.gz SDEDVEDIDBPIEK-PRHODGIISA-N 1 2 380.250 1.154 20 30 GDEDLO N#Cc1cc(S(=O)(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1Cl ZINC000069868221 530799895 /nfs/dbraw/zinc/79/98/95/530799895.db2.gz MMEYSJVVJLVYGO-CQSZACIVSA-N 1 2 383.901 1.945 20 30 GDEDLO N#Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)s1 ZINC000131882909 531076372 /nfs/dbraw/zinc/07/63/72/531076372.db2.gz AADMVQTZLPMDGS-UHFFFAOYSA-N 1 2 382.433 1.570 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000264141863 531169629 /nfs/dbraw/zinc/16/96/29/531169629.db2.gz HPVSFZJSOASTJQ-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000264141863 531169630 /nfs/dbraw/zinc/16/96/30/531169630.db2.gz HPVSFZJSOASTJQ-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444733266 531402793 /nfs/dbraw/zinc/40/27/93/531402793.db2.gz MKGRKTJIFJTUHT-ZFWWWQNUSA-N 1 2 376.400 1.967 20 30 GDEDLO N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000444733266 531402797 /nfs/dbraw/zinc/40/27/97/531402797.db2.gz MKGRKTJIFJTUHT-ZFWWWQNUSA-N 1 2 376.400 1.967 20 30 GDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)COc1cccc(Br)c1C#N ZINC000449628388 531473417 /nfs/dbraw/zinc/47/34/17/531473417.db2.gz ILSPSKQFOYNGDO-GFCCVEGCSA-N 1 2 382.258 1.536 20 30 GDEDLO C[N@@H+]1CCO[C@H](CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000295381151 531569553 /nfs/dbraw/zinc/56/95/53/531569553.db2.gz AOMJYJLJGWSLPQ-SNVBAGLBSA-N 1 2 392.250 1.069 20 30 GDEDLO C[N@H+]1CCO[C@H](CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000295381151 531569559 /nfs/dbraw/zinc/56/95/59/531569559.db2.gz AOMJYJLJGWSLPQ-SNVBAGLBSA-N 1 2 392.250 1.069 20 30 GDEDLO C[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000451239730 531573705 /nfs/dbraw/zinc/57/37/05/531573705.db2.gz BUIQXFVXDXNUER-AWEZNQCLSA-N 1 2 384.933 1.568 20 30 GDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(C)(C)CO ZINC000451729465 531672702 /nfs/dbraw/zinc/67/27/02/531672702.db2.gz KIXIXCLBSXTWKD-CQSZACIVSA-N 1 2 382.873 1.983 20 30 GDEDLO C[C@H](NS(=O)(=O)c1cc(Br)ccc1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000591327003 531714558 /nfs/dbraw/zinc/71/45/58/531714558.db2.gz WKXGHWAANHKTMP-GXFFZTMASA-N 1 2 388.287 1.318 20 30 GDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(=O)n3cc(Br)ccc3n2)nn1 ZINC000640796233 531764466 /nfs/dbraw/zinc/76/44/66/531764466.db2.gz RTTIUQHFRIGBFQ-UHFFFAOYSA-N 1 2 387.241 1.210 20 30 GDEDLO CC#CC[NH2+]Cc1cn(CC(=O)c2c[nH]c3ncc(Br)cc23)nn1 ZINC000641168774 531783044 /nfs/dbraw/zinc/78/30/44/531783044.db2.gz NOKRDSNDFAJERT-UHFFFAOYSA-N 1 2 387.241 1.913 20 30 GDEDLO Cn1c[nH+]cc1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592785008 531799169 /nfs/dbraw/zinc/79/91/69/531799169.db2.gz DUDSLGGERHWQES-UHFFFAOYSA-N 1 2 388.269 1.849 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000593015942 531814845 /nfs/dbraw/zinc/81/48/45/531814845.db2.gz DKKLCGSKPNPGHR-UHFFFAOYSA-N 1 2 386.905 1.035 20 30 GDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000563539040 531850678 /nfs/dbraw/zinc/85/06/78/531850678.db2.gz LTYLUNPTHVSTAS-MRXNPFEDSA-N 1 2 396.289 1.921 20 30 GDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(OC)c(I)n2)CC1 ZINC000270503001 531881781 /nfs/dbraw/zinc/88/17/81/531881781.db2.gz NBZIRNMGPSDNGQ-UHFFFAOYSA-N 1 2 399.232 1.476 20 30 GDEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595722993 531888411 /nfs/dbraw/zinc/88/84/11/531888411.db2.gz NIIGIPNXMKABNR-ZDUSSCGKSA-N 1 2 395.301 1.971 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1CCO ZINC000330403603 532121936 /nfs/dbraw/zinc/12/19/36/532121936.db2.gz VNTIVNAZDIZMNI-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1CCO ZINC000330403603 532121940 /nfs/dbraw/zinc/12/19/40/532121940.db2.gz VNTIVNAZDIZMNI-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000826187044 607641138 /nfs/dbraw/zinc/64/11/38/607641138.db2.gz WZXLJBFELJKNNM-ZDUSSCGKSA-N 1 2 391.439 1.248 20 30 GDEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000826187044 607641139 /nfs/dbraw/zinc/64/11/39/607641139.db2.gz WZXLJBFELJKNNM-ZDUSSCGKSA-N 1 2 391.439 1.248 20 30 GDEDLO N#Cc1ccc(N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)nn1 ZINC000826385744 608408450 /nfs/dbraw/zinc/40/84/50/608408450.db2.gz YVNPPJUGGGFWDY-UHFFFAOYSA-N 1 2 384.407 1.403 20 30 GDEDLO C=C(Br)CNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000195245971 645068139 /nfs/dbraw/zinc/06/81/39/645068139.db2.gz FERRVYJXRNIEEM-UHFFFAOYSA-N 1 2 380.250 1.104 20 30 GDEDLO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000746476386 654762523 /nfs/dbraw/zinc/76/25/23/654762523.db2.gz VGRGAVVKESWSON-YMXBGEKHSA-N 1 2 382.917 1.535 20 30 GDEDLO C[C@@H](C#N)OCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000801929018 654935976 /nfs/dbraw/zinc/93/59/76/654935976.db2.gz NUNFSGCTIKMZQN-AWEZNQCLSA-N 1 2 395.301 1.934 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000755960381 655006030 /nfs/dbraw/zinc/00/60/30/655006030.db2.gz YIBSAADGOXWUKW-IVCQMTBJSA-N 1 2 383.583 1.647 20 30 GDEDLO C#CCC[NH+]1CCN(C(=O)c2ccc(I)c(O)c2)CC1 ZINC000760868529 655128707 /nfs/dbraw/zinc/12/87/07/655128707.db2.gz ISWBDQFNXCQRTC-UHFFFAOYSA-N 1 2 384.217 1.778 20 30 GDEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000761029432 655131365 /nfs/dbraw/zinc/13/13/65/655131365.db2.gz PSQFPHJCPKZVFA-ZDUSSCGKSA-N 1 2 375.416 1.852 20 30 GDEDLO CS(=O)(=O)N1CCN(c2ccc(NCc3csc(C#N)c3)c[nH+]2)CC1 ZINC000921914702 656427442 /nfs/dbraw/zinc/42/74/42/656427442.db2.gz HWUYQHPXJBLGJO-UHFFFAOYSA-N 1 2 377.495 1.708 20 30 GDEDLO NS(=O)(=O)CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940142 657231398 /nfs/dbraw/zinc/23/13/98/657231398.db2.gz NQPKEAUSCQDIDD-PHDIDXHHSA-N 1 2 376.269 1.378 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)Oc1cccc(Br)c1 ZINC000884155978 657330917 /nfs/dbraw/zinc/33/09/17/657330917.db2.gz OYIIOVNFZPPSCB-RISCZKNCSA-N 1 2 385.258 1.779 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOC[C@@H]1c1ccc(Br)cc1 ZINC000884406003 657353463 /nfs/dbraw/zinc/35/34/63/657353463.db2.gz JPSYWEYSWAITIN-LSDHHAIUSA-N 1 2 397.269 1.796 20 30 GDEDLO C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896532666 658785133 /nfs/dbraw/zinc/78/51/33/658785133.db2.gz CQBFNPXXMYZXFL-WBMJQRKESA-N 1 2 395.301 1.450 20 30 GDEDLO C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896532666 658785138 /nfs/dbraw/zinc/78/51/38/658785138.db2.gz CQBFNPXXMYZXFL-WBMJQRKESA-N 1 2 395.301 1.450 20 30 GDEDLO C=CCOc1cc(C)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164706578 719855595 /nfs/dbraw/zinc/85/55/95/719855595.db2.gz YBDOARWMJHXAGX-UZLBHIALSA-N 1 2 390.484 1.583 20 30 GDEDLO C=CCOc1cc(C)nc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)n1 ZINC001164706575 719855626 /nfs/dbraw/zinc/85/56/26/719855626.db2.gz YBDOARWMJHXAGX-OXQOHEQNSA-N 1 2 390.484 1.583 20 30 GDEDLO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C[C@H](C)O2 ZINC001573295114 947008909 /nfs/dbraw/zinc/00/89/09/947008909.db2.gz MKGFPKBIGDMUAX-YVEFUNNKSA-N 1 2 391.863 1.253 20 30 GDEDLO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C[C@H](C)O2 ZINC001573295114 947008918 /nfs/dbraw/zinc/00/89/18/947008918.db2.gz MKGFPKBIGDMUAX-YVEFUNNKSA-N 1 2 391.863 1.253 20 30 GDEDLO C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@@H+]1Cc1ccccc1C#N ZINC001575883165 949804947 /nfs/dbraw/zinc/80/49/47/949804947.db2.gz CWWQGXFFGDDVRK-CXAGYDPISA-N 1 2 390.451 1.849 20 30 GDEDLO C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@H+]1Cc1ccccc1C#N ZINC001575883165 949804971 /nfs/dbraw/zinc/80/49/71/949804971.db2.gz CWWQGXFFGDDVRK-CXAGYDPISA-N 1 2 390.451 1.849 20 30 GDEDLO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH+]2CCC(C#N)CC2)ccc1Cl ZINC000057907258 530729272 /nfs/dbraw/zinc/72/92/72/530729272.db2.gz KGRRDNQXPSROCA-UHFFFAOYSA-N 1 2 384.889 1.764 20 30 GDEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000187967822 530881176 /nfs/dbraw/zinc/88/11/76/530881176.db2.gz LTBUOSVFSGXSBO-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000264770899 531200341 /nfs/dbraw/zinc/20/03/41/531200341.db2.gz RGQHHALKJRVEGB-GFCCVEGCSA-N 1 2 376.404 1.101 20 30 GDEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000264770899 531200342 /nfs/dbraw/zinc/20/03/42/531200342.db2.gz RGQHHALKJRVEGB-GFCCVEGCSA-N 1 2 376.404 1.101 20 30 GDEDLO C#CCCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1Cl ZINC000264862627 531202966 /nfs/dbraw/zinc/20/29/66/531202966.db2.gz GAVYRUSOMNGWHL-UHFFFAOYSA-N 1 2 383.901 1.419 20 30 GDEDLO COc1ccc(C(=O)N[C@@](C)(C#N)C[NH+](C)C)cc1I ZINC000520413395 531227814 /nfs/dbraw/zinc/22/78/14/531227814.db2.gz WDFMSIJASLWFIS-AWEZNQCLSA-N 1 2 387.221 1.873 20 30 GDEDLO C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000411152514 531306489 /nfs/dbraw/zinc/30/64/89/531306489.db2.gz GDDGWROEHAFDHL-UHFFFAOYSA-N 1 2 382.258 1.726 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nc(Br)sc2C)CC1 ZINC000277742721 531307957 /nfs/dbraw/zinc/30/79/57/531307957.db2.gz QZZPGBYHXNZIBJ-UHFFFAOYSA-N 1 2 399.314 1.111 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nc(Br)sc2C)CC1 ZINC000277742721 531307962 /nfs/dbraw/zinc/30/79/62/531307962.db2.gz QZZPGBYHXNZIBJ-UHFFFAOYSA-N 1 2 399.314 1.111 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000266348454 531341180 /nfs/dbraw/zinc/34/11/80/531341180.db2.gz NAJAZTTZEWMZIS-KRWDZBQOSA-N 1 2 377.535 1.362 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2SCCc3sccc32)CC1 ZINC000266348454 531341185 /nfs/dbraw/zinc/34/11/85/531341185.db2.gz NAJAZTTZEWMZIS-KRWDZBQOSA-N 1 2 377.535 1.362 20 30 GDEDLO C[N@H+](CCC#N)C[C@H](O)Cn1cnc2c(F)cc(Br)cc2c1=O ZINC000414149240 531432732 /nfs/dbraw/zinc/43/27/32/531432732.db2.gz NWQLMANGMMDURO-NSHDSACASA-N 1 2 383.221 1.504 20 30 GDEDLO C[N@@H+](CCC#N)C[C@H](O)Cn1cnc2c(F)cc(Br)cc2c1=O ZINC000414149240 531432736 /nfs/dbraw/zinc/43/27/36/531432736.db2.gz NWQLMANGMMDURO-NSHDSACASA-N 1 2 383.221 1.504 20 30 GDEDLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365277195 531635279 /nfs/dbraw/zinc/63/52/79/531635279.db2.gz YUBQPALBQFEFQY-SMDDNHRTSA-N 1 2 384.889 1.552 20 30 GDEDLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365277195 531635286 /nfs/dbraw/zinc/63/52/86/531635286.db2.gz YUBQPALBQFEFQY-SMDDNHRTSA-N 1 2 384.889 1.552 20 30 GDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(C)(C)CO ZINC000451738384 531674203 /nfs/dbraw/zinc/67/42/03/531674203.db2.gz HUCCUFKQEZQVRA-CQSZACIVSA-N 1 2 382.873 1.983 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000619712235 531716488 /nfs/dbraw/zinc/71/64/88/531716488.db2.gz KUDZDJXQAHRSBQ-HZMBPMFUSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000619712235 531716496 /nfs/dbraw/zinc/71/64/96/531716496.db2.gz KUDZDJXQAHRSBQ-HZMBPMFUSA-N 1 2 377.388 1.574 20 30 GDEDLO CS(=O)(=O)NCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000285493675 532087814 /nfs/dbraw/zinc/08/78/14/532087814.db2.gz POYUKBHQPKJOKH-UHFFFAOYSA-N 1 2 384.889 1.411 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000735420695 598272175 /nfs/dbraw/zinc/27/21/75/598272175.db2.gz QEYSSWXBLZJNEL-JKSUJKDBSA-N 1 2 399.499 1.674 20 30 GDEDLO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736823354 598615917 /nfs/dbraw/zinc/61/59/17/598615917.db2.gz XRXBRDDAFPACOE-KRWDZBQOSA-N 1 2 387.403 1.502 20 30 GDEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736823354 598615919 /nfs/dbraw/zinc/61/59/19/598615919.db2.gz XRXBRDDAFPACOE-KRWDZBQOSA-N 1 2 387.403 1.502 20 30 GDEDLO N#CC1(C(=O)N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)CCC1 ZINC000737675691 599375130 /nfs/dbraw/zinc/37/51/30/599375130.db2.gz QTZSSFJFUKQZND-UHFFFAOYSA-N 1 2 388.435 1.757 20 30 GDEDLO C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(C(=O)[O-])c3C#N)CC2)CC1 ZINC000833698056 604615743 /nfs/dbraw/zinc/61/57/43/604615743.db2.gz XLEYPYVZIKEEPV-UHFFFAOYSA-N 1 2 384.480 1.633 20 30 GDEDLO C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(C[NH+]2CCC(CC#N)CC2)C1=O ZINC000824843220 609372847 /nfs/dbraw/zinc/37/28/47/609372847.db2.gz BPJYFXWANLDAJA-IBGZPJMESA-N 1 2 394.439 1.217 20 30 GDEDLO N#Cc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(Cl)c1 ZINC000439448121 646233984 /nfs/dbraw/zinc/23/39/84/646233984.db2.gz SCNGBUMZPSHYAH-MRXNPFEDSA-N 1 2 383.901 1.838 20 30 GDEDLO N#Cc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(Cl)c1 ZINC000439448121 646233987 /nfs/dbraw/zinc/23/39/87/646233987.db2.gz SCNGBUMZPSHYAH-MRXNPFEDSA-N 1 2 383.901 1.838 20 30 GDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000921436977 660300146 /nfs/dbraw/zinc/30/01/46/660300146.db2.gz JCZMIFHOENDLCQ-UHFFFAOYSA-N 1 2 375.809 1.763 20 30 GDEDLO CCS(=O)(=O)C=C(C)NNc1ccc(S(=O)(=O)NC(C)(C)C)c[nH+]1 ZINC000733744900 654521315 /nfs/dbraw/zinc/52/13/15/654521315.db2.gz WAGRMAMXZANZSH-UHFFFAOYSA-N 1 2 376.504 1.381 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000746476384 654762486 /nfs/dbraw/zinc/76/24/86/654762486.db2.gz VGRGAVVKESWSON-CANCMXDXSA-N 1 2 382.917 1.535 20 30 GDEDLO C=C(Br)CNC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000786468056 654940893 /nfs/dbraw/zinc/94/08/93/654940893.db2.gz PWUMMLWEOOZBQO-UHFFFAOYSA-N 1 2 381.274 1.713 20 30 GDEDLO CCCC[C@@H](ON=C(C)C)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000758133118 655052077 /nfs/dbraw/zinc/05/20/77/655052077.db2.gz LJAVFLATDRNSSX-MRXNPFEDSA-N 1 2 375.535 1.583 20 30 GDEDLO COC(=O)[C@@H](NC(=O)CO[NH+]=C(N)c1ccc(Br)cc1)C(C)C ZINC000809998038 655145782 /nfs/dbraw/zinc/14/57/82/655145782.db2.gz LTMQHIMGNWWKLH-ZDUSSCGKSA-N 1 2 386.246 1.400 20 30 GDEDLO C#CCC[NH+]1CCN(S(=O)(=O)CCc2ccccc2Br)CC1 ZINC000812494527 655215218 /nfs/dbraw/zinc/21/52/18/655215218.db2.gz MUEIPDLCRWFZNO-UHFFFAOYSA-N 1 2 385.327 1.962 20 30 GDEDLO C#CC[NH+]1CCN(CN2CC[C@@H](c3cccc(Br)c3)C2=O)CC1 ZINC000839958156 655272805 /nfs/dbraw/zinc/27/28/05/655272805.db2.gz IXBZJMYDQRDLLC-KRWDZBQOSA-N 1 2 376.298 1.973 20 30 GDEDLO C#CCOCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000814743038 655273977 /nfs/dbraw/zinc/27/39/77/655273977.db2.gz QRFZAZLFNOFRHH-UHFFFAOYSA-N 1 2 379.507 1.880 20 30 GDEDLO Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(=O)c1C#N ZINC000848376001 655488853 /nfs/dbraw/zinc/48/88/53/655488853.db2.gz JSKZUHITWCRUQD-LLVKDONJSA-N 1 2 390.241 1.629 20 30 GDEDLO C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000850359442 655552855 /nfs/dbraw/zinc/55/28/55/655552855.db2.gz HZKZAKQHCDMUGA-UKRRQHHQSA-N 1 2 388.283 1.363 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(O)cc(Br)c2)CC1 ZINC000859224681 655770359 /nfs/dbraw/zinc/77/03/59/655770359.db2.gz GTLGNCJYOALVIP-UHFFFAOYSA-N 1 2 394.269 1.052 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(O)cc(Br)c2)CC1 ZINC000859224681 655770362 /nfs/dbraw/zinc/77/03/62/655770362.db2.gz GTLGNCJYOALVIP-UHFFFAOYSA-N 1 2 394.269 1.052 20 30 GDEDLO C[N@@H+]1CCC(=NNC(=S)NCC(N)=O)C[C@@H]1c1ccc(Br)cc1 ZINC000863092591 655861610 /nfs/dbraw/zinc/86/16/10/655861610.db2.gz BXOWPPGOEXQPKY-CYBMUJFWSA-N 1 2 398.330 1.521 20 30 GDEDLO C[N@H+]1CCC(=NNC(=S)NCC(N)=O)C[C@@H]1c1ccc(Br)cc1 ZINC000863092591 655861614 /nfs/dbraw/zinc/86/16/14/655861614.db2.gz BXOWPPGOEXQPKY-CYBMUJFWSA-N 1 2 398.330 1.521 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000884410020 657353938 /nfs/dbraw/zinc/35/39/38/657353938.db2.gz YJFPDRXGBXBSQW-GJZGRUSLSA-N 1 2 397.269 1.796 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000891605544 658254959 /nfs/dbraw/zinc/25/49/59/658254959.db2.gz FWOUFFJPGZQMSO-ZDUSSCGKSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000891605544 658254962 /nfs/dbraw/zinc/25/49/62/658254962.db2.gz FWOUFFJPGZQMSO-ZDUSSCGKSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000891607601 658255076 /nfs/dbraw/zinc/25/50/76/658255076.db2.gz VGECLKHFIVUPKG-LBPRGKRZSA-N 1 2 382.233 1.741 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000891607601 658255078 /nfs/dbraw/zinc/25/50/78/658255078.db2.gz VGECLKHFIVUPKG-LBPRGKRZSA-N 1 2 382.233 1.741 20 30 GDEDLO CNS(=O)(=O)c1ccc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)cc1 ZINC000895560584 658710974 /nfs/dbraw/zinc/71/09/74/658710974.db2.gz GKZAFFRVOPPKOM-UHFFFAOYSA-N 1 2 376.507 1.850 20 30 GDEDLO CNC(=O)CC1S/C(=N\[C@H](C)c2cccs2)N(C[C@H]2CC[N@@H+]2C)C1=O ZINC000901701725 659229294 /nfs/dbraw/zinc/22/92/94/659229294.db2.gz VKSNHDOVSWGGTP-JKVDGRNWSA-N 1 2 380.539 1.949 20 30 GDEDLO CNC(=O)CC1S/C(=N\[C@H](C)c2cccs2)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000901701725 659229301 /nfs/dbraw/zinc/22/93/01/659229301.db2.gz VKSNHDOVSWGGTP-JKVDGRNWSA-N 1 2 380.539 1.949 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc(Cl)c1C#N ZINC001164703920 719845960 /nfs/dbraw/zinc/84/59/60/719845960.db2.gz REYKLFYYYQJSOX-SJCJKPOMSA-N 1 2 379.848 1.234 20 30 GDEDLO CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164700650 719877244 /nfs/dbraw/zinc/87/72/44/719877244.db2.gz FFICJTGQYQYJJJ-JLTOFOAXSA-N 1 2 398.467 1.015 20 30 GDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc(Cl)c1C#N)CC2 ZINC001164704762 720048019 /nfs/dbraw/zinc/04/80/19/720048019.db2.gz REHPYGNKGQOTQF-UHFFFAOYSA-N 1 2 399.886 1.290 20 30 GDEDLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc(C#N)n1 ZINC001164917590 721785628 /nfs/dbraw/zinc/78/56/28/721785628.db2.gz YFFUDIJHYCEBLQ-FQEVSTJZSA-N 1 2 380.452 1.160 20 30 GDEDLO Cc1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc(C#N)n1 ZINC001164917590 721785631 /nfs/dbraw/zinc/78/56/31/721785631.db2.gz YFFUDIJHYCEBLQ-FQEVSTJZSA-N 1 2 380.452 1.160 20 30 GDEDLO C=C(Cl)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573295619 947026063 /nfs/dbraw/zinc/02/60/63/947026063.db2.gz SHXFZGGGXUKQOW-JTQLQIEISA-N 1 2 385.806 1.634 20 30 GDEDLO C=C(Cl)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573295619 947026075 /nfs/dbraw/zinc/02/60/75/947026075.db2.gz SHXFZGGGXUKQOW-JTQLQIEISA-N 1 2 385.806 1.634 20 30 GDEDLO C=CCCOCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573336135 947501855 /nfs/dbraw/zinc/50/18/55/947501855.db2.gz JEZKUOODWPWXSF-GJZGRUSLSA-N 1 2 386.431 1.384 20 30 GDEDLO C=CCCOCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573336135 947501867 /nfs/dbraw/zinc/50/18/67/947501867.db2.gz JEZKUOODWPWXSF-GJZGRUSLSA-N 1 2 386.431 1.384 20 30 GDEDLO N#Cc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571120642 952505014 /nfs/dbraw/zinc/50/50/14/952505014.db2.gz OJFBYARFZMDHFV-INIZCTEOSA-N 1 2 376.424 1.461 20 30 GDEDLO CC1CC[NH+](Cc2csc(NC(=O)CN3CCS(=O)(=O)CC3)n2)CC1 ZINC000045878458 530647639 /nfs/dbraw/zinc/64/76/39/530647639.db2.gz JNVKFUPISAORSW-UHFFFAOYSA-N 1 2 386.543 1.693 20 30 GDEDLO COc1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000185493638 530842394 /nfs/dbraw/zinc/84/23/94/530842394.db2.gz ORBPJRREVIEKQS-UHFFFAOYSA-N 1 2 377.491 1.965 20 30 GDEDLO COc1cc(C#N)ccc1S(=O)(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000185493638 530842397 /nfs/dbraw/zinc/84/23/97/530842397.db2.gz ORBPJRREVIEKQS-UHFFFAOYSA-N 1 2 377.491 1.965 20 30 GDEDLO C[C@H]1C[NH+]=C(N2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)S1 ZINC000125810312 531010885 /nfs/dbraw/zinc/01/08/85/531010885.db2.gz HXEVDIRTSHSROY-JTQLQIEISA-N 1 2 386.449 1.634 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000125980704 531013212 /nfs/dbraw/zinc/01/32/12/531013212.db2.gz SJAIIINZHHLYMW-YGRLFVJLSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000125980704 531013214 /nfs/dbraw/zinc/01/32/14/531013214.db2.gz SJAIIINZHHLYMW-YGRLFVJLSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449627408 531473059 /nfs/dbraw/zinc/47/30/59/531473059.db2.gz GHWMFFFSDFYXHS-GFCCVEGCSA-N 1 2 382.258 1.536 20 30 GDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000451287608 531583368 /nfs/dbraw/zinc/58/33/68/531583368.db2.gz RKMAJFWBNZEAKI-CYBMUJFWSA-N 1 2 396.285 1.879 20 30 GDEDLO C[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000588120516 531647505 /nfs/dbraw/zinc/64/75/05/531647505.db2.gz OIMDBJSIOOTUSQ-GXFFZTMASA-N 1 2 388.287 1.318 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@H]1C[N@H+](C)CCO1 ZINC000618999729 531699767 /nfs/dbraw/zinc/69/97/67/531699767.db2.gz WHOQREPULIMISC-IINYFYTJSA-N 1 2 388.287 1.318 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000618999729 531699774 /nfs/dbraw/zinc/69/97/74/531699774.db2.gz WHOQREPULIMISC-IINYFYTJSA-N 1 2 388.287 1.318 20 30 GDEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000452108122 531765776 /nfs/dbraw/zinc/76/57/76/531765776.db2.gz VDJLUGAURLXJRZ-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000452108122 531765784 /nfs/dbraw/zinc/76/57/84/531765784.db2.gz VDJLUGAURLXJRZ-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592145942 531767094 /nfs/dbraw/zinc/76/70/94/531767094.db2.gz BXXJXQRVVPMWTQ-ABAIWWIYSA-N 1 2 399.232 1.969 20 30 GDEDLO C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592145942 531767098 /nfs/dbraw/zinc/76/70/98/531767098.db2.gz BXXJXQRVVPMWTQ-ABAIWWIYSA-N 1 2 399.232 1.969 20 30 GDEDLO CC#CC[NH2+]Cc1cn(CC(=O)N(C)Cc2ccccc2Br)nn1 ZINC000640840682 531767262 /nfs/dbraw/zinc/76/72/62/531767262.db2.gz ZSWGGLPWZTZXJU-UHFFFAOYSA-N 1 2 390.285 1.812 20 30 GDEDLO CC#CC[NH2+]Cc1cn(C[C@@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641230091 531788681 /nfs/dbraw/zinc/78/86/81/531788681.db2.gz WDTGDHMGMUYRHB-OAHLLOKOSA-N 1 2 397.248 1.733 20 30 GDEDLO C[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)[NH+]1CCN(C)CC1 ZINC000593464116 531836512 /nfs/dbraw/zinc/83/65/12/531836512.db2.gz CPTRBURTHLCSRE-CYBMUJFWSA-N 1 2 379.302 1.615 20 30 GDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000574858991 531999782 /nfs/dbraw/zinc/99/97/82/531999782.db2.gz FELHJGASZHKIDP-SJCJKPOMSA-N 1 2 393.285 1.762 20 30 GDEDLO CS(=O)(=O)NCC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000285500015 532088889 /nfs/dbraw/zinc/08/88/89/532088889.db2.gz PZFDWSJMAAJBFA-UHFFFAOYSA-N 1 2 384.889 1.411 20 30 GDEDLO CNC(=O)c1cccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1Br ZINC000329471519 532103879 /nfs/dbraw/zinc/10/38/79/532103879.db2.gz ZODQJZFWYCYYIK-OLZOCXBDSA-N 1 2 397.273 1.944 20 30 GDEDLO CNC(=O)c1cccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1Br ZINC000329471519 532103883 /nfs/dbraw/zinc/10/38/83/532103883.db2.gz ZODQJZFWYCYYIK-OLZOCXBDSA-N 1 2 397.273 1.944 20 30 GDEDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000274691190 532225134 /nfs/dbraw/zinc/22/51/34/532225134.db2.gz QPLZUXKTPMTIIZ-UHFFFAOYSA-N 1 2 384.889 1.043 20 30 GDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000550638903 650595961 /nfs/dbraw/zinc/59/59/61/650595961.db2.gz RZIYPMLYLAOWFP-SNVBAGLBSA-N 1 2 376.214 1.661 20 30 GDEDLO N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCn3c[nH+]cc3C2)c1 ZINC000601970447 652612177 /nfs/dbraw/zinc/61/21/77/652612177.db2.gz ZYEXYIFBNNWAFH-LBPRGKRZSA-N 1 2 381.255 1.811 20 30 GDEDLO C=CCCn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2C)nn1 ZINC000657466015 654150122 /nfs/dbraw/zinc/15/01/22/654150122.db2.gz NXMNFHBTXFYAQU-UHFFFAOYSA-N 1 2 383.905 1.884 20 30 GDEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2cc(Br)cnc2C#N)CC1 ZINC000853308698 655638171 /nfs/dbraw/zinc/63/81/71/655638171.db2.gz SMVQNODKTNVVIV-UHFFFAOYSA-N 1 2 387.303 1.637 20 30 GDEDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883106255 657271736 /nfs/dbraw/zinc/27/17/36/657271736.db2.gz MNMVDCPHMZDLKS-LLVKDONJSA-N 1 2 382.262 1.900 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)Oc1ccccc1Br ZINC000884156249 657330833 /nfs/dbraw/zinc/33/08/33/657330833.db2.gz WTCGRJFVVGPWEW-YPMHNXCESA-N 1 2 385.258 1.779 20 30 GDEDLO C#CCN(C(=O)c1cnc(I)c(O)c1)C1CC[NH+](C)CC1 ZINC000886574661 657676854 /nfs/dbraw/zinc/67/68/54/657676854.db2.gz NWZPJTDTBQBHOS-UHFFFAOYSA-N 1 2 399.232 1.561 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(Cl)c(C#N)n1 ZINC001164701505 719842316 /nfs/dbraw/zinc/84/23/16/719842316.db2.gz MHXHVVGUTJXMPM-SCLBCKFNSA-N 1 2 378.860 1.839 20 30 GDEDLO C=C(Br)C[N@H+]1CC=C(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573291434 946920471 /nfs/dbraw/zinc/92/04/71/946920471.db2.gz CPJZNIBAHQVUPN-UHFFFAOYSA-N 1 2 392.261 1.465 20 30 GDEDLO C=C(Br)C[N@@H+]1CC=C(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573291434 946920482 /nfs/dbraw/zinc/92/04/82/946920482.db2.gz CPJZNIBAHQVUPN-UHFFFAOYSA-N 1 2 392.261 1.465 20 30 GDEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001573291811 946924168 /nfs/dbraw/zinc/92/41/68/946924168.db2.gz JIGOLIXSLCGZBZ-GXFFZTMASA-N 1 2 392.261 1.250 20 30 GDEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001573291811 946924172 /nfs/dbraw/zinc/92/41/72/946924172.db2.gz JIGOLIXSLCGZBZ-GXFFZTMASA-N 1 2 392.261 1.250 20 30 GDEDLO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573350817 947604254 /nfs/dbraw/zinc/60/42/54/947604254.db2.gz HVICKXBZQUUQHY-ROUUACIJSA-N 1 2 397.483 1.285 20 30 GDEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573793698 949301166 /nfs/dbraw/zinc/30/11/66/949301166.db2.gz WJDJMRVIZKOTLT-QGZVFWFLSA-N 1 2 382.468 1.233 20 30 GDEDLO CC(C)(C)C#CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCO1 ZINC001573793698 949301190 /nfs/dbraw/zinc/30/11/90/949301190.db2.gz WJDJMRVIZKOTLT-QGZVFWFLSA-N 1 2 382.468 1.233 20 30 GDEDLO C[N@@H+]1CCO[C@@H]([C@H](NS(=O)(=O)CC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000166228821 530582425 /nfs/dbraw/zinc/58/24/25/530582425.db2.gz FPWAHOFWHUXFID-HZPDHXFCSA-N 1 2 383.901 1.935 20 30 GDEDLO C[N@H+]1CCO[C@@H]([C@H](NS(=O)(=O)CC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000166228821 530582428 /nfs/dbraw/zinc/58/24/28/530582428.db2.gz FPWAHOFWHUXFID-HZPDHXFCSA-N 1 2 383.901 1.935 20 30 GDEDLO C=CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)Cc1ccc(Cl)s1 ZINC000051681067 530680813 /nfs/dbraw/zinc/68/08/13/530680813.db2.gz IVUJSXLEHCPFGZ-UHFFFAOYSA-N 1 2 393.962 1.787 20 30 GDEDLO C=CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)Cc1ccc(Cl)s1 ZINC000051681067 530680816 /nfs/dbraw/zinc/68/08/16/530680816.db2.gz IVUJSXLEHCPFGZ-UHFFFAOYSA-N 1 2 393.962 1.787 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000179454499 530741335 /nfs/dbraw/zinc/74/13/35/530741335.db2.gz AGPQHUPDPIATTR-GOEBONIOSA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000179454499 530741337 /nfs/dbraw/zinc/74/13/37/530741337.db2.gz AGPQHUPDPIATTR-GOEBONIOSA-N 1 2 385.555 1.665 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(C)c2Br)CC1 ZINC000118979882 530920232 /nfs/dbraw/zinc/92/02/32/530920232.db2.gz XADFQGJJKIHYFA-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(C)c2Br)CC1 ZINC000118979882 530920233 /nfs/dbraw/zinc/92/02/33/530920233.db2.gz XADFQGJJKIHYFA-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000125780071 531010511 /nfs/dbraw/zinc/01/05/11/531010511.db2.gz WTNZPFVIGAAAQF-MFKMUULPSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000125780071 531010514 /nfs/dbraw/zinc/01/05/14/531010514.db2.gz WTNZPFVIGAAAQF-MFKMUULPSA-N 1 2 377.388 1.574 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000264081696 531168123 /nfs/dbraw/zinc/16/81/23/531168123.db2.gz ISISFCDFPVBZFW-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)cc(Br)c2)CC1 ZINC000264081696 531168126 /nfs/dbraw/zinc/16/81/26/531168126.db2.gz ISISFCDFPVBZFW-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000474132999 531270275 /nfs/dbraw/zinc/27/02/75/531270275.db2.gz DFKNBJPIBFPAPM-LBPRGKRZSA-N 1 2 385.873 1.470 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292097432 531333900 /nfs/dbraw/zinc/33/39/00/531333900.db2.gz GAVSPNKJGDSXBY-CQSZACIVSA-N 1 2 383.539 1.869 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292097432 531333904 /nfs/dbraw/zinc/33/39/04/531333904.db2.gz GAVSPNKJGDSXBY-CQSZACIVSA-N 1 2 383.539 1.869 20 30 GDEDLO Cn1ncc(Br)c1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000278754657 531386002 /nfs/dbraw/zinc/38/60/02/531386002.db2.gz NKDPJVNUXRXGMP-HNNXBMFYSA-N 1 2 388.269 1.945 20 30 GDEDLO C[C@H]1COCC[N@@H+]1CCNC(=O)COc1cccc(Br)c1C#N ZINC000449842266 531478786 /nfs/dbraw/zinc/47/87/86/531478786.db2.gz MACZYOSAIRXRRT-LBPRGKRZSA-N 1 2 382.258 1.536 20 30 GDEDLO C[C@H]1COCC[N@H+]1CCNC(=O)COc1cccc(Br)c1C#N ZINC000449842266 531478790 /nfs/dbraw/zinc/47/87/90/531478790.db2.gz MACZYOSAIRXRRT-LBPRGKRZSA-N 1 2 382.258 1.536 20 30 GDEDLO C=CCN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)Nc2c[nH+]c[nH]2)cc1 ZINC000582073002 531533752 /nfs/dbraw/zinc/53/37/52/531533752.db2.gz PDBFFMOYWKQVIJ-UHFFFAOYSA-N 1 2 382.467 1.550 20 30 GDEDLO C#CC[N@H+](CC(=O)N1CCNC1=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365205189 531628086 /nfs/dbraw/zinc/62/80/86/531628086.db2.gz BDRLIVYFUTYDCW-CQSZACIVSA-N 1 2 392.253 1.760 20 30 GDEDLO C#CC[N@@H+](CC(=O)N1CCNC1=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365205189 531628093 /nfs/dbraw/zinc/62/80/93/531628093.db2.gz BDRLIVYFUTYDCW-CQSZACIVSA-N 1 2 392.253 1.760 20 30 GDEDLO COCC(COC)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000416565495 531679613 /nfs/dbraw/zinc/67/96/13/531679613.db2.gz AVBFWZSESNHSQL-UHFFFAOYSA-N 1 2 387.889 1.179 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CO)c2cccc(Cl)c2F)nc1 ZINC000561783128 531725672 /nfs/dbraw/zinc/72/56/72/531725672.db2.gz CFALKJHHMKQUJJ-CQSZACIVSA-N 1 2 383.832 1.843 20 30 GDEDLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148771 531766596 /nfs/dbraw/zinc/76/65/96/531766596.db2.gz BNFAADMNFYBGLE-IAQYHMDHSA-N 1 2 399.232 1.969 20 30 GDEDLO C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148771 531766610 /nfs/dbraw/zinc/76/66/10/531766610.db2.gz BNFAADMNFYBGLE-IAQYHMDHSA-N 1 2 399.232 1.969 20 30 GDEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000452103603 531764677 /nfs/dbraw/zinc/76/46/77/531764677.db2.gz KZZWWCVJUVNPRK-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000452103603 531764679 /nfs/dbraw/zinc/76/46/79/531764679.db2.gz KZZWWCVJUVNPRK-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO N#Cc1c(Br)cccc1OCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000563681150 531859770 /nfs/dbraw/zinc/85/97/70/531859770.db2.gz HVNSMDBMDQYJBN-UHFFFAOYSA-N 1 2 394.269 1.681 20 30 GDEDLO COc1cc(C(N)=[NH+]OC[C@H]2CCCS(=O)(=O)C2)cc(Cl)c1OC ZINC000283969690 531914822 /nfs/dbraw/zinc/91/48/22/531914822.db2.gz GJFFLMLRMOWAEV-SNVBAGLBSA-N 1 2 376.862 1.819 20 30 GDEDLO CNS(=O)(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000370855931 532002788 /nfs/dbraw/zinc/00/27/88/532002788.db2.gz ILGUXYLRRIJFKU-HNNXBMFYSA-N 1 2 376.400 1.950 20 30 GDEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000370855931 532002791 /nfs/dbraw/zinc/00/27/91/532002791.db2.gz ILGUXYLRRIJFKU-HNNXBMFYSA-N 1 2 376.400 1.950 20 30 GDEDLO COC(=O)CC[N@@H+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@H](C)C1 ZINC000274813728 532235415 /nfs/dbraw/zinc/23/54/15/532235415.db2.gz ULDNOLHAWOOAFW-GFCCVEGCSA-N 1 2 385.873 1.470 20 30 GDEDLO COC(=O)CC[N@H+]1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@H](C)C1 ZINC000274813728 532235418 /nfs/dbraw/zinc/23/54/18/532235418.db2.gz ULDNOLHAWOOAFW-GFCCVEGCSA-N 1 2 385.873 1.470 20 30 GDEDLO CS(=O)(=O)c1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1Cl ZINC000432233535 532282192 /nfs/dbraw/zinc/28/21/92/532282192.db2.gz SARQVWFNBLREAB-INIZCTEOSA-N 1 2 377.853 1.931 20 30 GDEDLO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(C#N)c(-c3nn[nH]n3)c2)CC1 ZINC000737615313 599197854 /nfs/dbraw/zinc/19/78/54/599197854.db2.gz GDXZGMOHEIGYSU-UHFFFAOYSA-N 1 2 391.439 1.323 20 30 GDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735526429 598252502 /nfs/dbraw/zinc/25/25/02/598252502.db2.gz WWGBKWGIPUDYIG-QRWLVFNGSA-N 1 2 396.499 1.432 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000824999950 607639974 /nfs/dbraw/zinc/63/99/74/607639974.db2.gz LDSGIGIXZUDJCO-CQSZACIVSA-N 1 2 394.870 1.872 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000824999950 607639975 /nfs/dbraw/zinc/63/99/75/607639975.db2.gz LDSGIGIXZUDJCO-CQSZACIVSA-N 1 2 394.870 1.872 20 30 GDEDLO C#CC[N@H+]1CCC[C@H]1COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000823850526 607923864 /nfs/dbraw/zinc/92/38/64/607923864.db2.gz QNMPMOQPVYHILS-AWEZNQCLSA-N 1 2 384.440 1.158 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000823850526 607923865 /nfs/dbraw/zinc/92/38/65/607923865.db2.gz QNMPMOQPVYHILS-AWEZNQCLSA-N 1 2 384.440 1.158 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccnc3cc(Br)cnc32)CC1 ZINC000547465125 650498792 /nfs/dbraw/zinc/49/87/92/650498792.db2.gz FZCIBGKHNIUHLB-UHFFFAOYSA-N 1 2 390.285 1.817 20 30 GDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000921437920 660300478 /nfs/dbraw/zinc/30/04/78/660300478.db2.gz KIQOFEWSZQRHOK-UHFFFAOYSA-N 1 2 375.263 1.964 20 30 GDEDLO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCOCC2)c(I)c1 ZINC000513212657 648425577 /nfs/dbraw/zinc/42/55/77/648425577.db2.gz OSLJVVFYLNZBTL-LBPRGKRZSA-N 1 2 388.205 1.235 20 30 GDEDLO CC(=O)N[C@H]1CCCN(C(=O)CO[NH+]=C(N)c2ccc(Br)cc2)C1 ZINC000782949048 654849379 /nfs/dbraw/zinc/84/93/79/654849379.db2.gz PNMOYMUNNLHBMT-AWEZNQCLSA-N 1 2 397.273 1.213 20 30 GDEDLO CC(C)(C#N)CS(=O)(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000790034651 655038934 /nfs/dbraw/zinc/03/89/34/655038934.db2.gz OGNOCVARWHSACW-UHFFFAOYSA-N 1 2 384.933 1.931 20 30 GDEDLO C#CCC[NH+]1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)CC)c2)CC1 ZINC000840951509 655305709 /nfs/dbraw/zinc/30/57/09/655305709.db2.gz BHNRLHKNMGQIHN-UHFFFAOYSA-N 1 2 384.523 1.246 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)Cc1cc(Br)ccc1OC ZINC000884052773 657322279 /nfs/dbraw/zinc/32/22/79/657322279.db2.gz BAXWJIHCULDPDT-ZDUSSCGKSA-N 1 2 385.258 1.863 20 30 GDEDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc(Cl)cc3C#N)CC2)C1=O ZINC001164638039 719278291 /nfs/dbraw/zinc/27/82/91/719278291.db2.gz CDZDHEBDSNTWRP-UHFFFAOYSA-N 1 2 377.876 1.366 20 30 GDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(Cl)cc3C#N)CC2)C1=O ZINC001164638039 719278294 /nfs/dbraw/zinc/27/82/94/719278294.db2.gz CDZDHEBDSNTWRP-UHFFFAOYSA-N 1 2 377.876 1.366 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C#N)cc(Cl)n1 ZINC001164697267 719837495 /nfs/dbraw/zinc/83/74/95/719837495.db2.gz CFUCSECDEWFTNR-KSSFIOAISA-N 1 2 378.860 1.839 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(C#N)c[nH]c2n1 ZINC001164701144 719863618 /nfs/dbraw/zinc/86/36/18/719863618.db2.gz JUKLWINCVDBUHJ-IFXJQAMLSA-N 1 2 384.440 1.062 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(OC)c(C#N)cc1F ZINC001164702996 719866214 /nfs/dbraw/zinc/86/62/14/719866214.db2.gz JNNNGUIPYHZGBP-IFXJQAMLSA-N 1 2 392.431 1.334 20 30 GDEDLO Cc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C#N)c1 ZINC001164913273 721770772 /nfs/dbraw/zinc/77/07/72/721770772.db2.gz VGLVOCHTNBVUCV-OAQYLSRUSA-N 1 2 379.464 1.765 20 30 GDEDLO Cc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C#N)c1 ZINC001164913273 721770779 /nfs/dbraw/zinc/77/07/79/721770779.db2.gz VGLVOCHTNBVUCV-OAQYLSRUSA-N 1 2 379.464 1.765 20 30 GDEDLO Cc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C#N)n1 ZINC001164916043 721791513 /nfs/dbraw/zinc/79/15/13/721791513.db2.gz OGWJVRDXVTUDEC-HXUWFJFHSA-N 1 2 380.452 1.160 20 30 GDEDLO Cc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C#N)n1 ZINC001164916043 721791515 /nfs/dbraw/zinc/79/15/15/721791515.db2.gz OGWJVRDXVTUDEC-HXUWFJFHSA-N 1 2 380.452 1.160 20 30 GDEDLO COC(=O)c1cc(C#N)cnc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164919042 721821319 /nfs/dbraw/zinc/82/13/19/721821319.db2.gz LEIXLAMRKZQKCI-UHFFFAOYSA-N 1 2 380.452 1.686 20 30 GDEDLO C=CCCCC(=O)NCCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573335881 947492797 /nfs/dbraw/zinc/49/27/97/947492797.db2.gz WJMKVGHTXMUZNR-UHFFFAOYSA-N 1 2 389.529 1.518 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](Cc3cc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000091815379 530810293 /nfs/dbraw/zinc/81/02/93/530810293.db2.gz COGJJNPVNLSWOR-OKILXGFUSA-N 1 2 384.527 1.091 20 30 GDEDLO NC(CN1CCOCC1)=[NH+]OCc1nnc(-c2ccc(Br)o2)o1 ZINC000111181937 530872977 /nfs/dbraw/zinc/87/29/77/530872977.db2.gz XPUDUVACKKZXDO-UHFFFAOYSA-N 1 2 386.206 1.213 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000104132959 530837609 /nfs/dbraw/zinc/83/76/09/530837609.db2.gz XJRWSIPLRYQKSV-UHFFFAOYSA-N 1 2 394.269 1.052 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)ccc2O)CC1 ZINC000104132959 530837613 /nfs/dbraw/zinc/83/76/13/530837613.db2.gz XJRWSIPLRYQKSV-UHFFFAOYSA-N 1 2 394.269 1.052 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1cc(Br)ccc1O ZINC000120925589 530947701 /nfs/dbraw/zinc/94/77/01/530947701.db2.gz QJNMCMMCTHUQAY-UHFFFAOYSA-N 1 2 382.258 1.843 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000198107524 531026062 /nfs/dbraw/zinc/02/60/62/531026062.db2.gz LXKHHOCEASLGAZ-UHFFFAOYSA-N 1 2 383.246 1.782 20 30 GDEDLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000155883732 531203243 /nfs/dbraw/zinc/20/32/43/531203243.db2.gz DMTIUEQLTKHSSV-HNNXBMFYSA-N 1 2 384.889 1.210 20 30 GDEDLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000155883732 531203244 /nfs/dbraw/zinc/20/32/44/531203244.db2.gz DMTIUEQLTKHSSV-HNNXBMFYSA-N 1 2 384.889 1.210 20 30 GDEDLO C[N@@H+]1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000409478827 531252223 /nfs/dbraw/zinc/25/22/23/531252223.db2.gz OBRYQGMZJZYTLM-PMPSAXMXSA-N 1 2 384.889 1.144 20 30 GDEDLO C[N@H+]1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000409478827 531252225 /nfs/dbraw/zinc/25/22/25/531252225.db2.gz OBRYQGMZJZYTLM-PMPSAXMXSA-N 1 2 384.889 1.144 20 30 GDEDLO COC(=O)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000474130316 531269926 /nfs/dbraw/zinc/26/99/26/531269926.db2.gz DKUIWVJMRMEBCC-LBPRGKRZSA-N 1 2 385.873 1.470 20 30 GDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cccc(C#N)c1Br ZINC000450135492 531486749 /nfs/dbraw/zinc/48/67/49/531486749.db2.gz XSRBPKJNDKUSRG-CYBMUJFWSA-N 1 2 382.258 1.086 20 30 GDEDLO C[NH+](C)CCn1nccc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000295194281 531537674 /nfs/dbraw/zinc/53/76/74/531537674.db2.gz LSHAKXCGTPNTER-UHFFFAOYSA-N 1 2 398.286 1.880 20 30 GDEDLO N#CCc1ccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000451274570 531579250 /nfs/dbraw/zinc/57/92/50/531579250.db2.gz GEXRODSRGFPNLE-UHFFFAOYSA-N 1 2 383.901 1.891 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000451303199 531585435 /nfs/dbraw/zinc/58/54/35/531585435.db2.gz QKUIQFCXJRJDJI-BBRMVZONSA-N 1 2 383.901 1.747 20 30 GDEDLO C=CCN1CC[C@H]([NH+]2CCN(c3ncc(Br)c(OC)n3)CC2)C1=O ZINC000281919166 531679428 /nfs/dbraw/zinc/67/94/28/531679428.db2.gz HCFKRDCETBEYDW-ZDUSSCGKSA-N 1 2 396.289 1.157 20 30 GDEDLO Cn1ncc2c1nc[nH+]c2N1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000296642236 531710347 /nfs/dbraw/zinc/71/03/47/531710347.db2.gz WPZDNSBERYFIBK-UHFFFAOYSA-N 1 2 399.256 1.719 20 30 GDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000599691310 532036769 /nfs/dbraw/zinc/03/67/69/532036769.db2.gz DOGZORIYNVPONC-LBPRGKRZSA-N 1 2 384.889 1.411 20 30 GDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000599691310 532036775 /nfs/dbraw/zinc/03/67/75/532036775.db2.gz DOGZORIYNVPONC-LBPRGKRZSA-N 1 2 384.889 1.411 20 30 GDEDLO C=CCNC(=O)CNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273246705 532141312 /nfs/dbraw/zinc/14/13/12/532141312.db2.gz GNEBQPKYOKFWLG-UHFFFAOYSA-N 1 2 394.273 1.549 20 30 GDEDLO COc1cc(C(N)=[NH+]OCC2CCS(=O)(=O)CC2)cc(Cl)c1OC ZINC000273661335 532162764 /nfs/dbraw/zinc/16/27/64/532162764.db2.gz WDOVOWXOBSZBAO-UHFFFAOYSA-N 1 2 376.862 1.819 20 30 GDEDLO COCCN1C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3Br)CC[C@@H]21 ZINC000332565838 532195691 /nfs/dbraw/zinc/19/56/91/532195691.db2.gz BGWPULMXINGOIZ-CVEARBPZSA-N 1 2 393.285 1.935 20 30 GDEDLO COCCN1C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3Br)CC[C@@H]21 ZINC000332565838 532195696 /nfs/dbraw/zinc/19/56/96/532195696.db2.gz BGWPULMXINGOIZ-CVEARBPZSA-N 1 2 393.285 1.935 20 30 GDEDLO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736823355 598616100 /nfs/dbraw/zinc/61/61/00/598616100.db2.gz XRXBRDDAFPACOE-QGZVFWFLSA-N 1 2 387.403 1.502 20 30 GDEDLO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736823355 598616102 /nfs/dbraw/zinc/61/61/02/598616102.db2.gz XRXBRDDAFPACOE-QGZVFWFLSA-N 1 2 387.403 1.502 20 30 GDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000820803757 606778749 /nfs/dbraw/zinc/77/87/49/606778749.db2.gz GVFHPDZRYLTMIV-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000820803757 606778750 /nfs/dbraw/zinc/77/87/50/606778750.db2.gz GVFHPDZRYLTMIV-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO N#Cc1nc(C2CC2)oc1N1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000826387571 608591281 /nfs/dbraw/zinc/59/12/81/608591281.db2.gz CQDCXFJWERNURT-UHFFFAOYSA-N 1 2 382.453 1.987 20 30 GDEDLO C=CCNC(=O)CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000823919999 609172233 /nfs/dbraw/zinc/17/22/33/609172233.db2.gz WBIQYKRHMRVXFY-UHFFFAOYSA-N 1 2 375.339 1.152 20 30 GDEDLO C=C(Br)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000069279137 644576794 /nfs/dbraw/zinc/57/67/94/644576794.db2.gz JNXSFSYWOIEUAU-UHFFFAOYSA-N 1 2 395.301 1.397 20 30 GDEDLO CCSc1nnc(NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)s1 ZINC000328977579 645292018 /nfs/dbraw/zinc/29/20/18/645292018.db2.gz BZIAODNDPZOYDM-CQSZACIVSA-N 1 2 389.572 2.184 20 30 GDEDLO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000329517016 645314930 /nfs/dbraw/zinc/31/49/30/645314930.db2.gz MZAAFXKPZVGOAT-FRRDWIJNSA-N 1 2 375.491 1.179 20 30 GDEDLO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1(C)C ZINC000329517016 645314933 /nfs/dbraw/zinc/31/49/33/645314933.db2.gz MZAAFXKPZVGOAT-FRRDWIJNSA-N 1 2 375.491 1.179 20 30 GDEDLO N#CC1(CS(=O)(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CCC1 ZINC000477520587 647807350 /nfs/dbraw/zinc/80/73/50/647807350.db2.gz FQSSUMSKAHTSSZ-UHFFFAOYSA-N 1 2 383.436 1.597 20 30 GDEDLO N#Cc1ccc(NC(=O)C(=O)NCCNc2cccc[nH+]2)cc1Br ZINC000497871399 648040233 /nfs/dbraw/zinc/04/02/33/648040233.db2.gz XRMMHVDQDSJEDU-UHFFFAOYSA-N 1 2 388.225 1.883 20 30 GDEDLO Cn1cc(Br)c(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)n1 ZINC000571039529 651063959 /nfs/dbraw/zinc/06/39/59/651063959.db2.gz BOSBGCKBVGJSIZ-ZDUSSCGKSA-N 1 2 379.258 1.778 20 30 GDEDLO C=C(Br)CNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000793904091 655126898 /nfs/dbraw/zinc/12/68/98/655126898.db2.gz KLMKSZKAJKOWCO-UHFFFAOYSA-N 1 2 381.205 1.652 20 30 GDEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000864879444 655907719 /nfs/dbraw/zinc/90/77/19/655907719.db2.gz KNVAPGCFRPZXCY-KGLIPLIRSA-N 1 2 375.897 1.859 20 30 GDEDLO C=C(Br)CNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000875683181 656554420 /nfs/dbraw/zinc/55/44/20/656554420.db2.gz GXBFOYWBABQJGB-UHFFFAOYSA-N 1 2 399.314 1.276 20 30 GDEDLO N#Cc1ccc(OCC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)cc1Br ZINC000913452578 660080289 /nfs/dbraw/zinc/08/02/89/660080289.db2.gz CCKIKHSTYNIYJP-HNNXBMFYSA-N 1 2 390.241 1.596 20 30 GDEDLO N#Cc1ccc2cc[nH+]c(N3CCn4c(CN5CCOCC5)nnc4C3)c2c1 ZINC001164678325 719575916 /nfs/dbraw/zinc/57/59/16/719575916.db2.gz KVBLSCBQBYQBQY-UHFFFAOYSA-N 1 2 375.436 1.550 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(Cl)nc1C#N ZINC001164700904 719844856 /nfs/dbraw/zinc/84/48/56/719844856.db2.gz LADRMQWOSFTUEL-YVEFUNNKSA-N 1 2 379.848 1.234 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1C#N ZINC001164706140 719845850 /nfs/dbraw/zinc/84/58/50/719845850.db2.gz WJTXTRULPUIBGD-CXAGYDPISA-N 1 2 379.848 1.234 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)cc1C#N ZINC001164707094 719846088 /nfs/dbraw/zinc/84/60/88/719846088.db2.gz ZHEZJUGMUXTZLJ-CXAGYDPISA-N 1 2 379.848 1.234 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C#N)ccc1[N+](=O)[O-] ZINC001164703198 719853737 /nfs/dbraw/zinc/85/37/37/719853737.db2.gz PLHYDNMKMNONLK-KDOFPFPSSA-N 1 2 389.412 1.094 20 30 GDEDLO Cc1ccc(C#N)c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164825766 720439797 /nfs/dbraw/zinc/43/97/97/720439797.db2.gz UVSKTFGLAWBFBT-GOSISDBHSA-N 1 2 396.495 1.448 20 30 GDEDLO N#Cc1cc(F)cnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164911925 721772911 /nfs/dbraw/zinc/77/29/11/721772911.db2.gz ILSVNFOJUGSALD-FQEVSTJZSA-N 1 2 383.427 1.595 20 30 GDEDLO N#Cc1cc(F)cnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164911925 721772915 /nfs/dbraw/zinc/77/29/15/721772915.db2.gz ILSVNFOJUGSALD-FQEVSTJZSA-N 1 2 383.427 1.595 20 30 GDEDLO Cc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1C#N ZINC001164916992 721788472 /nfs/dbraw/zinc/78/84/72/721788472.db2.gz UTZKUUMYRJWFQF-NRFANRHFSA-N 1 2 379.464 1.765 20 30 GDEDLO Cc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1C#N ZINC001164916992 721788473 /nfs/dbraw/zinc/78/84/73/721788473.db2.gz UTZKUUMYRJWFQF-NRFANRHFSA-N 1 2 379.464 1.765 20 30 GDEDLO COc1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1C#N ZINC001164946928 721972493 /nfs/dbraw/zinc/97/24/93/721972493.db2.gz ZQBFCNPEBUJWLM-UHFFFAOYSA-N 1 2 391.475 1.933 20 30 GDEDLO COc1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1C#N ZINC001164946928 721972495 /nfs/dbraw/zinc/97/24/95/721972495.db2.gz ZQBFCNPEBUJWLM-UHFFFAOYSA-N 1 2 391.475 1.933 20 30 GDEDLO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571307262 946421149 /nfs/dbraw/zinc/42/11/49/946421149.db2.gz BIZVUTPCUOHTAO-QLPKVWCKSA-N 1 2 392.398 1.066 20 30 GDEDLO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571307262 946421153 /nfs/dbraw/zinc/42/11/53/946421153.db2.gz BIZVUTPCUOHTAO-QLPKVWCKSA-N 1 2 392.398 1.066 20 30 GDEDLO C=C(Br)C[N@@H+]1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001573292569 946936198 /nfs/dbraw/zinc/93/61/98/946936198.db2.gz XUKLBQAYVAYXHR-UHFFFAOYSA-N 1 2 392.261 1.251 20 30 GDEDLO C=C(Br)C[N@H+]1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001573292569 946936206 /nfs/dbraw/zinc/93/62/06/946936206.db2.gz XUKLBQAYVAYXHR-UHFFFAOYSA-N 1 2 392.261 1.251 20 30 GDEDLO C=CCCC(=O)NCCN1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001573328365 947407211 /nfs/dbraw/zinc/40/72/11/947407211.db2.gz UZWKRDRUZWZPBR-UHFFFAOYSA-N 1 2 387.463 1.206 20 30 GDEDLO N#Cc1cc(C[NH+]2CC(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)ccc1F ZINC001571154749 952689692 /nfs/dbraw/zinc/68/96/92/952689692.db2.gz AVWWQFSARQYJPS-UHFFFAOYSA-N 1 2 380.387 1.067 20 30 GDEDLO COCCSCCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000278301354 531350617 /nfs/dbraw/zinc/35/06/17/531350617.db2.gz AGPUTAMQNLBBEY-UHFFFAOYSA-N 1 2 383.539 1.634 20 30 GDEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000266995330 531384409 /nfs/dbraw/zinc/38/44/09/531384409.db2.gz DHCWAIHEXVUALG-GFCCVEGCSA-N 1 2 385.873 1.470 20 30 GDEDLO CS(=O)(=O)N1CC[NH+](CCNc2ccc(Br)cc2C#N)CC1 ZINC000611921620 531544775 /nfs/dbraw/zinc/54/47/75/531544775.db2.gz RLSTWUCWKNHYDX-UHFFFAOYSA-N 1 2 387.303 1.310 20 30 GDEDLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451434517 531615406 /nfs/dbraw/zinc/61/54/06/531615406.db2.gz OXMVCAQOQQRZQB-CYBMUJFWSA-N 1 2 385.917 1.872 20 30 GDEDLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451434517 531615416 /nfs/dbraw/zinc/61/54/16/531615416.db2.gz OXMVCAQOQQRZQB-CYBMUJFWSA-N 1 2 385.917 1.872 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494735876 531620806 /nfs/dbraw/zinc/62/08/06/531620806.db2.gz PUXQXJZELDBGFA-GJZGRUSLSA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494735876 531620821 /nfs/dbraw/zinc/62/08/21/531620821.db2.gz PUXQXJZELDBGFA-GJZGRUSLSA-N 1 2 385.555 1.665 20 30 GDEDLO N#Cc1ccc(Br)cc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000416495401 531647602 /nfs/dbraw/zinc/64/76/02/531647602.db2.gz LTBIFFKZTHJGMX-UHFFFAOYSA-N 1 2 388.287 1.056 20 30 GDEDLO COC(=O)c1ccc(Br)cc1CO[NH+]=C(N)CN1CCOCC1 ZINC000282176585 531716590 /nfs/dbraw/zinc/71/65/90/531716590.db2.gz FSPAUJMIWPCHMO-UHFFFAOYSA-N 1 2 386.246 1.357 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1Br ZINC000592388568 531784166 /nfs/dbraw/zinc/78/41/66/531784166.db2.gz BPVGLKYVSYXTGN-NSHDSACASA-N 1 2 380.214 1.548 20 30 GDEDLO C[N@@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@H]21 ZINC000329463254 532103777 /nfs/dbraw/zinc/10/37/77/532103777.db2.gz UIJNDLALMULLLP-OLZOCXBDSA-N 1 2 392.257 1.953 20 30 GDEDLO C[N@H+]1CCO[C@H]2CN(C(=O)Nc3ccc4nccnc4c3Br)C[C@H]21 ZINC000329463254 532103778 /nfs/dbraw/zinc/10/37/78/532103778.db2.gz UIJNDLALMULLLP-OLZOCXBDSA-N 1 2 392.257 1.953 20 30 GDEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000330410551 532122500 /nfs/dbraw/zinc/12/25/00/532122500.db2.gz YTHDEEZNEYUKAX-GFCCVEGCSA-N 1 2 376.404 1.101 20 30 GDEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000330410551 532122505 /nfs/dbraw/zinc/12/25/05/532122505.db2.gz YTHDEEZNEYUKAX-GFCCVEGCSA-N 1 2 376.404 1.101 20 30 GDEDLO Cc1cc(Br)cn2cc(CNC(=O)N3CCO[C@@H](C#N)C3)[nH+]c12 ZINC000332309851 532179906 /nfs/dbraw/zinc/17/99/06/532179906.db2.gz HMPPBPQTWSPIBC-ZDUSSCGKSA-N 1 2 378.230 1.839 20 30 GDEDLO CS(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000274168012 532191014 /nfs/dbraw/zinc/19/10/14/532191014.db2.gz NFBVLIBEYRYUMD-LBPRGKRZSA-N 1 2 381.523 1.946 20 30 GDEDLO CS(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000274168012 532191016 /nfs/dbraw/zinc/19/10/16/532191016.db2.gz NFBVLIBEYRYUMD-LBPRGKRZSA-N 1 2 381.523 1.946 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCN(c3nccs3)CC2)nc1 ZINC000377536465 532262963 /nfs/dbraw/zinc/26/29/63/532262963.db2.gz UFPDIAGCANHAER-UHFFFAOYSA-N 1 2 377.495 1.396 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCN(c3nccs3)CC2)nc1 ZINC000377536465 532262965 /nfs/dbraw/zinc/26/29/65/532262965.db2.gz UFPDIAGCANHAER-UHFFFAOYSA-N 1 2 377.495 1.396 20 30 GDEDLO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)C1CCS(=O)(=O)CC1)C(C)C ZINC000275596016 532301880 /nfs/dbraw/zinc/30/18/80/532301880.db2.gz FHBYSNGDJOHQEO-INIZCTEOSA-N 1 2 378.560 1.182 20 30 GDEDLO N#Cc1ccc2ncc(C[NH+]3CCN(c4ncccc4-c4nn[nH]n4)CC3)n2c1 ZINC000826386813 608509492 /nfs/dbraw/zinc/50/94/92/608509492.db2.gz UCTBGVDSLVMTGF-UHFFFAOYSA-N 1 2 386.423 1.103 20 30 GDEDLO CC#CC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000568081879 650936488 /nfs/dbraw/zinc/93/64/88/650936488.db2.gz JQMUWOPCNMOBEL-UHFFFAOYSA-N 1 2 383.901 1.128 20 30 GDEDLO CC#CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000568081879 650936491 /nfs/dbraw/zinc/93/64/91/650936491.db2.gz JQMUWOPCNMOBEL-UHFFFAOYSA-N 1 2 383.901 1.128 20 30 GDEDLO CS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C1 ZINC000329696116 645322320 /nfs/dbraw/zinc/32/23/20/645322320.db2.gz BQHMVRLVQQDRGO-CQSZACIVSA-N 1 2 386.543 1.836 20 30 GDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(CCNC(=O)OC)s2)CC1 ZINC000921437674 660300442 /nfs/dbraw/zinc/30/04/42/660300442.db2.gz DKBGOLWUSYHSDG-UHFFFAOYSA-N 1 2 385.511 1.023 20 30 GDEDLO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000573189252 651470424 /nfs/dbraw/zinc/47/04/24/651470424.db2.gz DAWMXIBKALGKJP-GFCCVEGCSA-N 1 2 381.255 1.811 20 30 GDEDLO N#Cc1c(Br)cccc1OCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000590677674 652139494 /nfs/dbraw/zinc/13/94/94/652139494.db2.gz ZBBUPXQCDXDUHK-CYBMUJFWSA-N 1 2 394.269 1.633 20 30 GDEDLO CSCCNC(=S)N[NH+]=Cc1c(N2CCOCC2)nc2ccccn21 ZINC000769603735 654472380 /nfs/dbraw/zinc/47/23/80/654472380.db2.gz YDCVLSJITUCQAB-UHFFFAOYSA-N 1 2 378.527 1.332 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674496467 654601983 /nfs/dbraw/zinc/60/19/83/654601983.db2.gz XBOQUQFGIIRJRS-OAHLLOKOSA-N 1 2 385.555 1.619 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674496467 654601987 /nfs/dbraw/zinc/60/19/87/654601987.db2.gz XBOQUQFGIIRJRS-OAHLLOKOSA-N 1 2 385.555 1.619 20 30 GDEDLO C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 ZINC000748672682 654809778 /nfs/dbraw/zinc/80/97/78/654809778.db2.gz ZCMDUNYPTBWROS-UHFFFAOYSA-N 1 2 384.523 1.165 20 30 GDEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)COc1ccc(C#N)c(Br)c1 ZINC000835267132 655094635 /nfs/dbraw/zinc/09/46/35/655094635.db2.gz QFDMJILSDBRGBI-LBPRGKRZSA-N 1 2 383.242 1.963 20 30 GDEDLO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@H](O)c3cc(Br)no3)C2)nc1 ZINC000878642339 656739535 /nfs/dbraw/zinc/73/95/35/656739535.db2.gz ZZLVMDDHZJVENA-NEPJUHHUSA-N 1 2 379.214 1.890 20 30 GDEDLO N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)c3cc(Br)no3)C2)nc1 ZINC000878642339 656739545 /nfs/dbraw/zinc/73/95/45/656739545.db2.gz ZZLVMDDHZJVENA-NEPJUHHUSA-N 1 2 379.214 1.890 20 30 GDEDLO C#CC[NH+]1CCC(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000928659563 656921193 /nfs/dbraw/zinc/92/11/93/656921193.db2.gz RLGJGUJGRXBUEZ-UHFFFAOYSA-N 1 2 380.897 1.860 20 30 GDEDLO C[C@@H](C(=O)NC(N)=O)[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946787 657233308 /nfs/dbraw/zinc/23/33/08/657233308.db2.gz VFYGSLJDYOYSLP-HCWXCVPCSA-N 1 2 383.239 1.673 20 30 GDEDLO C[C@@H](C(=O)NC(N)=O)[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932946787 657233313 /nfs/dbraw/zinc/23/33/13/657233313.db2.gz VFYGSLJDYOYSLP-HCWXCVPCSA-N 1 2 383.239 1.673 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(OC)ccc2Br)C1 ZINC000891605610 658254874 /nfs/dbraw/zinc/25/48/74/658254874.db2.gz HLSAJAMXVULQNU-LBPRGKRZSA-N 1 2 394.269 1.610 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(OC)ccc2Br)C1 ZINC000891605610 658254879 /nfs/dbraw/zinc/25/48/79/658254879.db2.gz HLSAJAMXVULQNU-LBPRGKRZSA-N 1 2 394.269 1.610 20 30 GDEDLO C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896532663 658784918 /nfs/dbraw/zinc/78/49/18/658784918.db2.gz CQBFNPXXMYZXFL-BLLLJJGKSA-N 1 2 395.301 1.450 20 30 GDEDLO C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CN(C)CC[N@H+]1C ZINC000896532663 658784923 /nfs/dbraw/zinc/78/49/23/658784923.db2.gz CQBFNPXXMYZXFL-BLLLJJGKSA-N 1 2 395.301 1.450 20 30 GDEDLO N#Cc1sc2ccccc2c1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000907267380 659714034 /nfs/dbraw/zinc/71/40/34/659714034.db2.gz AUCMPICQIJMPPJ-CYBMUJFWSA-N 1 2 376.507 1.441 20 30 GDEDLO N#Cc1sc2ccccc2c1S(=O)(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000907267380 659714039 /nfs/dbraw/zinc/71/40/39/659714039.db2.gz AUCMPICQIJMPPJ-CYBMUJFWSA-N 1 2 376.507 1.441 20 30 GDEDLO C[NH+](C)CC#CCNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000913517583 660084992 /nfs/dbraw/zinc/08/49/92/660084992.db2.gz HJIHTEWCWBMSNY-UHFFFAOYSA-N 1 2 387.299 1.045 20 30 GDEDLO Cn1cc(C[N@@H+]2CCCN(S(=O)(=O)Cc3csc(C#N)c3)CC2)cn1 ZINC000914115065 660117384 /nfs/dbraw/zinc/11/73/84/660117384.db2.gz QMCWCGJCDFYFER-UHFFFAOYSA-N 1 2 379.511 1.391 20 30 GDEDLO Cn1cc(C[N@H+]2CCCN(S(=O)(=O)Cc3csc(C#N)c3)CC2)cn1 ZINC000914115065 660117386 /nfs/dbraw/zinc/11/73/86/660117386.db2.gz QMCWCGJCDFYFER-UHFFFAOYSA-N 1 2 379.511 1.391 20 30 GDEDLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C#N)cc(Cl)n3)CC2)C1=O ZINC001164639723 719267316 /nfs/dbraw/zinc/26/73/16/719267316.db2.gz QVLONBRPWRLLQK-UHFFFAOYSA-N 1 2 377.876 1.366 20 30 GDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C#N)cc(Cl)n3)CC2)C1=O ZINC001164639723 719267320 /nfs/dbraw/zinc/26/73/20/719267320.db2.gz QVLONBRPWRLLQK-UHFFFAOYSA-N 1 2 377.876 1.366 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)ncc1C#N ZINC001164702695 719841817 /nfs/dbraw/zinc/84/18/17/719841817.db2.gz OYQDZOSFCZWKQZ-KSSFIOAISA-N 1 2 378.860 1.839 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)cc(C#N)n1 ZINC001164698853 719850438 /nfs/dbraw/zinc/85/04/38/719850438.db2.gz DXEUUTMXSXYECU-YJBOKZPZSA-N 1 2 378.860 1.839 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc2c(C#N)c[nH]c2n1 ZINC001164701146 719863321 /nfs/dbraw/zinc/86/33/21/719863321.db2.gz JUKLWINCVDBUHJ-LIRRHRJNSA-N 1 2 384.440 1.062 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc2[nH]c(C#N)cc2n1 ZINC001164708088 719866595 /nfs/dbraw/zinc/86/65/95/719866595.db2.gz XQACGWLQBNDTOK-FOIQADDNSA-N 1 2 383.452 1.667 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2c(cc1C#N)CCC2 ZINC001164707439 719868232 /nfs/dbraw/zinc/86/82/32/719868232.db2.gz SPCORICBZJZLEM-DYESRHJHSA-N 1 2 384.480 1.675 20 30 GDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(C#N)cc1Cl)CC2 ZINC001164702901 719934146 /nfs/dbraw/zinc/93/41/46/719934146.db2.gz HNTYKEQMNNQBDZ-UHFFFAOYSA-N 1 2 399.886 1.290 20 30 GDEDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)ncc1C#N)CC2 ZINC001164705489 719936661 /nfs/dbraw/zinc/93/66/61/719936661.db2.gz ZDTMRCCTFQCGIW-UHFFFAOYSA-N 1 2 399.886 1.290 20 30 GDEDLO N#Cc1c(F)ccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916984 721787149 /nfs/dbraw/zinc/78/71/49/721787149.db2.gz UNLJAJJIUYUVBL-FQEVSTJZSA-N 1 2 383.427 1.595 20 30 GDEDLO N#Cc1c(F)ccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916984 721787150 /nfs/dbraw/zinc/78/71/50/721787150.db2.gz UNLJAJJIUYUVBL-FQEVSTJZSA-N 1 2 383.427 1.595 20 30 GDEDLO Cc1nc(C#N)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913485 721800945 /nfs/dbraw/zinc/80/09/45/721800945.db2.gz DRPUIDALUBKQRN-FQEVSTJZSA-N 1 2 380.452 1.160 20 30 GDEDLO Cc1nc(C#N)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913485 721800946 /nfs/dbraw/zinc/80/09/46/721800946.db2.gz DRPUIDALUBKQRN-FQEVSTJZSA-N 1 2 380.452 1.160 20 30 GDEDLO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000042146422 530627015 /nfs/dbraw/zinc/62/70/15/530627015.db2.gz XXNOIYOKSMRNGO-CYBMUJFWSA-N 1 2 380.290 1.727 20 30 GDEDLO CN(Cc1ccccc1Br)C(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000177595323 530706197 /nfs/dbraw/zinc/70/61/97/530706197.db2.gz VPDUZZAPBYOOAM-UHFFFAOYSA-N 1 2 399.289 1.029 20 30 GDEDLO C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000125901484 531011376 /nfs/dbraw/zinc/01/13/76/531011376.db2.gz PJXQMBCTGSCGMX-HZMBPMFUSA-N 1 2 388.287 1.318 20 30 GDEDLO C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000125901484 531011379 /nfs/dbraw/zinc/01/13/79/531011379.db2.gz PJXQMBCTGSCGMX-HZMBPMFUSA-N 1 2 388.287 1.318 20 30 GDEDLO C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000125901918 531011833 /nfs/dbraw/zinc/01/18/33/531011833.db2.gz PJXQMBCTGSCGMX-IINYFYTJSA-N 1 2 388.287 1.318 20 30 GDEDLO C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000125901918 531011837 /nfs/dbraw/zinc/01/18/37/531011837.db2.gz PJXQMBCTGSCGMX-IINYFYTJSA-N 1 2 388.287 1.318 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000125980904 531013720 /nfs/dbraw/zinc/01/37/20/531013720.db2.gz SJAIIINZHHLYMW-IINYFYTJSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000125980904 531013721 /nfs/dbraw/zinc/01/37/21/531013721.db2.gz SJAIIINZHHLYMW-IINYFYTJSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000126695718 531021450 /nfs/dbraw/zinc/02/14/50/531021450.db2.gz QZMQJENTZQZYFN-OKXMYEFYSA-N 1 2 382.555 1.156 20 30 GDEDLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000126695718 531021453 /nfs/dbraw/zinc/02/14/53/531021453.db2.gz QZMQJENTZQZYFN-OKXMYEFYSA-N 1 2 382.555 1.156 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2sccc2Br)CC1 ZINC000264978759 531218006 /nfs/dbraw/zinc/21/80/06/531218006.db2.gz IAHGFHUCAQGQRA-UHFFFAOYSA-N 1 2 384.299 1.408 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2sccc2Br)CC1 ZINC000264978759 531218010 /nfs/dbraw/zinc/21/80/10/531218010.db2.gz IAHGFHUCAQGQRA-UHFFFAOYSA-N 1 2 384.299 1.408 20 30 GDEDLO COC(=O)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000474130303 531269622 /nfs/dbraw/zinc/26/96/22/531269622.db2.gz DKUIWVJMRMEBCC-GFCCVEGCSA-N 1 2 385.873 1.470 20 30 GDEDLO C[C@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000267487613 531429423 /nfs/dbraw/zinc/42/94/23/531429423.db2.gz YVXXRASGEBXGFM-WCQYABFASA-N 1 2 387.889 1.205 20 30 GDEDLO N#CCc1ccc(S(=O)(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000451197834 531565580 /nfs/dbraw/zinc/56/55/80/531565580.db2.gz ZJQNIEBFDKQLSS-UHFFFAOYSA-N 1 2 379.873 1.636 20 30 GDEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000269667058 531707452 /nfs/dbraw/zinc/70/74/52/531707452.db2.gz NQUKHHPUFITION-CYBMUJFWSA-N 1 2 376.404 1.101 20 30 GDEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000269667058 531707461 /nfs/dbraw/zinc/70/74/61/531707461.db2.gz NQUKHHPUFITION-CYBMUJFWSA-N 1 2 376.404 1.101 20 30 GDEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000452104661 531764304 /nfs/dbraw/zinc/76/43/04/531764304.db2.gz MQCXEFMSOHEVSW-LLVKDONJSA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000452104661 531764306 /nfs/dbraw/zinc/76/43/06/531764306.db2.gz MQCXEFMSOHEVSW-LLVKDONJSA-N 1 2 388.287 1.008 20 30 GDEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592525231 531792580 /nfs/dbraw/zinc/79/25/80/531792580.db2.gz MUXWZENNJOCVQJ-PXAZEXFGSA-N 1 2 396.285 1.813 20 30 GDEDLO CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592525231 531792590 /nfs/dbraw/zinc/79/25/90/531792590.db2.gz MUXWZENNJOCVQJ-PXAZEXFGSA-N 1 2 396.285 1.813 20 30 GDEDLO CCCO[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000329154066 532097366 /nfs/dbraw/zinc/09/73/66/532097366.db2.gz AKHAZQCYZWJVIA-UONOGXRCSA-N 1 2 375.491 1.325 20 30 GDEDLO CCCO[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000329154066 532097369 /nfs/dbraw/zinc/09/73/69/532097369.db2.gz AKHAZQCYZWJVIA-UONOGXRCSA-N 1 2 375.491 1.325 20 30 GDEDLO C[NH+](C)[C@]1(C[NH+]=C([O-])N2CCn3c(nnc3C(F)(F)F)C2)CCSC1 ZINC000330043352 532113404 /nfs/dbraw/zinc/11/34/04/532113404.db2.gz AFUKJQUIZMHRKZ-ZDUSSCGKSA-N 1 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C[C@H]1C[N@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000567071321 650883787 /nfs/dbraw/zinc/88/37/87/650883787.db2.gz IPUFYJYUCBEKBW-LBPRGKRZSA-N 1 2 382.258 1.536 20 30 GDEDLO C[C@H]1C[N@@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000567071321 650883791 /nfs/dbraw/zinc/88/37/91/650883791.db2.gz IPUFYJYUCBEKBW-LBPRGKRZSA-N 1 2 382.258 1.536 20 30 GDEDLO C[NH+](C)CCNC(=O)C[C@@H]1S/C(=N/c2cccc(Br)c2)NC1=O ZINC000106898552 644614347 /nfs/dbraw/zinc/61/43/47/644614347.db2.gz PGNMJANUWKARQN-LBPRGKRZSA-N 1 2 399.314 1.736 20 30 GDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000921437988 660300534 /nfs/dbraw/zinc/30/05/34/660300534.db2.gz NCZAPJGHSMGASH-UHFFFAOYSA-N 1 2 375.809 1.763 20 30 GDEDLO COC(=O)C1CCN(C(=O)CO[NH+]=C(N)c2ccc(Br)cc2)CC1 ZINC000782948279 654849149 /nfs/dbraw/zinc/84/91/49/654849149.db2.gz JCKVJIBNXQYJAF-UHFFFAOYSA-N 1 2 398.257 1.498 20 30 GDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000730106434 654926193 /nfs/dbraw/zinc/92/61/93/654926193.db2.gz DACDHSKNHSWQJJ-HNNXBMFYSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000730106434 654926195 /nfs/dbraw/zinc/92/61/95/654926195.db2.gz DACDHSKNHSWQJJ-HNNXBMFYSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000848665204 655498486 /nfs/dbraw/zinc/49/84/86/655498486.db2.gz PIEQFKBOGUVNBK-UHFFFAOYSA-N 1 2 393.260 1.721 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(c2cc(Br)c(C#N)cc2F)CC1 ZINC000848665204 655498488 /nfs/dbraw/zinc/49/84/88/655498488.db2.gz PIEQFKBOGUVNBK-UHFFFAOYSA-N 1 2 393.260 1.721 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000884100757 657325351 /nfs/dbraw/zinc/32/53/51/657325351.db2.gz DXCBFIWGBVOVFS-LSDHHAIUSA-N 1 2 397.269 1.796 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000884109833 657326612 /nfs/dbraw/zinc/32/66/12/657326612.db2.gz RUAJYYBJIIJWTJ-LSDHHAIUSA-N 1 2 397.269 1.796 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000891605543 658254968 /nfs/dbraw/zinc/25/49/68/658254968.db2.gz FWOUFFJPGZQMSO-CYBMUJFWSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Br)c2C)C1 ZINC000891605543 658254972 /nfs/dbraw/zinc/25/49/72/658254972.db2.gz FWOUFFJPGZQMSO-CYBMUJFWSA-N 1 2 378.270 1.910 20 30 GDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C#N)c(Cl)s1 ZINC001055363717 677680003 /nfs/dbraw/zinc/68/00/03/677680003.db2.gz BCAQOUPQBFSHIS-XWIASGKRSA-N 1 2 376.873 1.870 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2[nH]c(C#N)cc2n1 ZINC001164708093 719866424 /nfs/dbraw/zinc/86/64/24/719866424.db2.gz XQACGWLQBNDTOK-YWZLYKJASA-N 1 2 383.452 1.667 20 30 GDEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001573358049 947655031 /nfs/dbraw/zinc/65/50/31/947655031.db2.gz DNYLILWZBNTKFW-KRWDZBQOSA-N 1 2 382.468 1.759 20 30 GDEDLO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(-c2nn[nH]n2)ccc1OC ZINC001573358049 947655036 /nfs/dbraw/zinc/65/50/36/947655036.db2.gz DNYLILWZBNTKFW-KRWDZBQOSA-N 1 2 382.468 1.759 20 30 GDEDLO C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@@H+]1Cc1ccccc1C#N ZINC001575883168 949802699 /nfs/dbraw/zinc/80/26/99/949802699.db2.gz CWWQGXFFGDDVRK-DYVFJYSZSA-N 1 2 390.451 1.849 20 30 GDEDLO C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@H+]1Cc1ccccc1C#N ZINC001575883168 949802726 /nfs/dbraw/zinc/80/27/26/949802726.db2.gz CWWQGXFFGDDVRK-DYVFJYSZSA-N 1 2 390.451 1.849 20 30 GDEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)[nH]1 ZINC001571155375 952695485 /nfs/dbraw/zinc/69/54/85/952695485.db2.gz PRYJXEMYYJUIAL-CQSZACIVSA-N 1 2 380.387 1.210 20 30 GDEDLO N#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2F)[nH]1 ZINC001571155375 952695488 /nfs/dbraw/zinc/69/54/88/952695488.db2.gz PRYJXEMYYJUIAL-CQSZACIVSA-N 1 2 380.387 1.210 20 30 GDEDLO C=CCN(CC=C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000054146389 530699337 /nfs/dbraw/zinc/69/93/37/530699337.db2.gz MBLXPYQNFXMQKT-UHFFFAOYSA-N 1 2 383.539 1.691 20 30 GDEDLO COCC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000177627398 530706921 /nfs/dbraw/zinc/70/69/21/530706921.db2.gz LXTZBIQXJBOXFP-UHFFFAOYSA-N 1 2 377.388 1.530 20 30 GDEDLO CCNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000179460821 530742338 /nfs/dbraw/zinc/74/23/38/530742338.db2.gz COILRJIZJYQORP-FZMZJTMJSA-N 1 2 384.889 1.552 20 30 GDEDLO CCNS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000179460821 530742343 /nfs/dbraw/zinc/74/23/43/530742343.db2.gz COILRJIZJYQORP-FZMZJTMJSA-N 1 2 384.889 1.552 20 30 GDEDLO NC(CN1CCOCC1)=[NH+]OCC(=O)Nc1ccc(Br)cc1F ZINC000111181537 530871747 /nfs/dbraw/zinc/87/17/47/530871747.db2.gz MUHPRHWVQMEWAD-UHFFFAOYSA-N 1 2 389.225 1.148 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000266348455 531341241 /nfs/dbraw/zinc/34/12/41/531341241.db2.gz NAJAZTTZEWMZIS-QGZVFWFLSA-N 1 2 377.535 1.362 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2SCCc3sccc32)CC1 ZINC000266348455 531341247 /nfs/dbraw/zinc/34/12/47/531341247.db2.gz NAJAZTTZEWMZIS-QGZVFWFLSA-N 1 2 377.535 1.362 20 30 GDEDLO C#CCNC(=O)CC[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000294064208 531460077 /nfs/dbraw/zinc/46/00/77/531460077.db2.gz KCWGAGVAORAYFR-UHFFFAOYSA-N 1 2 376.258 1.601 20 30 GDEDLO C#CCNC(=O)CC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000294064208 531460083 /nfs/dbraw/zinc/46/00/83/531460083.db2.gz KCWGAGVAORAYFR-UHFFFAOYSA-N 1 2 376.258 1.601 20 30 GDEDLO N#Cc1c(Br)cccc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000295256184 531550642 /nfs/dbraw/zinc/55/06/42/531550642.db2.gz GILAXXXAQFWBFT-UHFFFAOYSA-N 1 2 388.287 1.056 20 30 GDEDLO COCC(COC)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000416573050 531684426 /nfs/dbraw/zinc/68/44/26/531684426.db2.gz SLNGLDJAHNYLSR-UHFFFAOYSA-N 1 2 387.889 1.179 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000618999727 531698913 /nfs/dbraw/zinc/69/89/13/531698913.db2.gz WHOQREPULIMISC-HZMBPMFUSA-N 1 2 388.287 1.318 20 30 GDEDLO C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000618999727 531698920 /nfs/dbraw/zinc/69/89/20/531698920.db2.gz WHOQREPULIMISC-HZMBPMFUSA-N 1 2 388.287 1.318 20 30 GDEDLO N#Cc1nc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)sc1Cl ZINC000596516099 531923420 /nfs/dbraw/zinc/92/34/20/531923420.db2.gz QURRMVKAEBKDHU-KRWDZBQOSA-N 1 2 378.885 2.344 20 30 GDEDLO N#Cc1nc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)sc1Cl ZINC000596516099 531923427 /nfs/dbraw/zinc/92/34/27/531923427.db2.gz QURRMVKAEBKDHU-KRWDZBQOSA-N 1 2 378.885 2.344 20 30 GDEDLO CC[C@H](C)NC(=O)C[NH+]1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603272365 532086336 /nfs/dbraw/zinc/08/63/36/532086336.db2.gz LKRODJYFXHLWPP-LBPRGKRZSA-N 1 2 380.290 1.752 20 30 GDEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)C[C@@H](C)O1 ZINC000329634830 532108100 /nfs/dbraw/zinc/10/81/00/532108100.db2.gz UDVJDGLZQWPPTM-TUVASFSCSA-N 1 2 375.535 1.296 20 30 GDEDLO N#Cc1c(Br)cccc1S(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000331922274 532155895 /nfs/dbraw/zinc/15/58/95/532155895.db2.gz GVXIQNWXYRSBQJ-UHFFFAOYSA-N 1 2 388.287 1.321 20 30 GDEDLO N#Cc1c(Br)cccc1S(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000331922274 532155899 /nfs/dbraw/zinc/15/58/99/532155899.db2.gz GVXIQNWXYRSBQJ-UHFFFAOYSA-N 1 2 388.287 1.321 20 30 GDEDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287636580 532230289 /nfs/dbraw/zinc/23/02/89/532230289.db2.gz ZVEARZSCOVTUNO-LLVKDONJSA-N 1 2 395.257 1.096 20 30 GDEDLO C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000016639029 212099347 /nfs/dbraw/zinc/09/93/47/212099347.db2.gz LUMVPOMCTRZPTC-UHFFFAOYSA-N 1 2 386.477 1.508 20 30 GDEDLO COc1ccc(C#N)cc1C[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000826187043 607641282 /nfs/dbraw/zinc/64/12/82/607641282.db2.gz WZXLJBFELJKNNM-CYBMUJFWSA-N 1 2 391.439 1.248 20 30 GDEDLO COc1ccc(C#N)cc1C[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000826187043 607641283 /nfs/dbraw/zinc/64/12/83/607641283.db2.gz WZXLJBFELJKNNM-CYBMUJFWSA-N 1 2 391.439 1.248 20 30 GDEDLO N#Cc1ccc(C(=O)N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)[nH]1 ZINC000826384389 607718853 /nfs/dbraw/zinc/71/88/53/607718853.db2.gz SSYHMXKKMMEGPT-UHFFFAOYSA-N 1 2 399.418 1.577 20 30 GDEDLO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000826169842 608370046 /nfs/dbraw/zinc/37/00/46/608370046.db2.gz HGASBVKCSUSCNT-CYBMUJFWSA-N 1 2 391.439 1.248 20 30 GDEDLO COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000826169842 608370047 /nfs/dbraw/zinc/37/00/47/608370047.db2.gz HGASBVKCSUSCNT-CYBMUJFWSA-N 1 2 391.439 1.248 20 30 GDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824999737 608400318 /nfs/dbraw/zinc/40/03/18/608400318.db2.gz ITUJJVOFIATQNX-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1F ZINC000824999737 608400319 /nfs/dbraw/zinc/40/03/19/608400319.db2.gz ITUJJVOFIATQNX-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@@H](C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[NH+]1CCSCC1 ZINC000328907479 645287967 /nfs/dbraw/zinc/28/79/67/645287967.db2.gz CECHSHFWWNOHOH-AWEZNQCLSA-N 1 2 383.539 1.947 20 30 GDEDLO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000330207397 645348737 /nfs/dbraw/zinc/34/87/37/645348737.db2.gz AFOLTEPYMTYDIL-RWMBFGLXSA-N 1 2 377.532 1.650 20 30 GDEDLO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C1 ZINC000330207397 645348741 /nfs/dbraw/zinc/34/87/41/645348741.db2.gz AFOLTEPYMTYDIL-RWMBFGLXSA-N 1 2 377.532 1.650 20 30 GDEDLO N#Cc1csc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000521944147 648664372 /nfs/dbraw/zinc/66/43/72/648664372.db2.gz JXWWVVFWNDZKHP-UHFFFAOYSA-N 1 2 378.479 1.325 20 30 GDEDLO N#Cc1c(Br)cccc1OCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000578035023 651767872 /nfs/dbraw/zinc/76/78/72/651767872.db2.gz CBHIUNQPXAJRQH-BETUJISGSA-N 1 2 394.269 1.679 20 30 GDEDLO N#Cc1c(Br)cccc1OCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000578035023 651767878 /nfs/dbraw/zinc/76/78/78/651767878.db2.gz CBHIUNQPXAJRQH-BETUJISGSA-N 1 2 394.269 1.679 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cnn2cc(Br)cnc12 ZINC000602424304 652636507 /nfs/dbraw/zinc/63/65/07/652636507.db2.gz JKIGFXYMOVIOBL-UHFFFAOYSA-N 1 2 393.289 1.540 20 30 GDEDLO CC#CC[NH2+]Cc1cn(Cc2ccc(C(=O)OC)cc2Br)nn1 ZINC000603241296 652687860 /nfs/dbraw/zinc/68/78/60/652687860.db2.gz JPLOWQRBDUFVCN-UHFFFAOYSA-N 1 2 377.242 1.988 20 30 GDEDLO N#Cc1cc(Br)ccc1Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000603243768 652688410 /nfs/dbraw/zinc/68/84/10/652688410.db2.gz NDCADACRPKIRLS-UHFFFAOYSA-N 1 2 376.258 1.835 20 30 GDEDLO C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000755193088 654988081 /nfs/dbraw/zinc/98/80/81/654988081.db2.gz GAFSHWBLMXMLIN-UHFFFAOYSA-N 1 2 382.277 1.797 20 30 GDEDLO C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccc(Br)c(F)c2)CC1 ZINC000755193088 654988084 /nfs/dbraw/zinc/98/80/84/654988084.db2.gz GAFSHWBLMXMLIN-UHFFFAOYSA-N 1 2 382.277 1.797 20 30 GDEDLO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000810091249 655149473 /nfs/dbraw/zinc/14/94/73/655149473.db2.gz MGBXAVJVJYDGQC-UHFFFAOYSA-N 1 2 386.905 1.556 20 30 GDEDLO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000810091249 655149476 /nfs/dbraw/zinc/14/94/76/655149476.db2.gz MGBXAVJVJYDGQC-UHFFFAOYSA-N 1 2 386.905 1.556 20 30 GDEDLO N#Cc1ccc(Br)cc1OS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000841531934 655339335 /nfs/dbraw/zinc/33/93/35/655339335.db2.gz UHCMHRYPQUSIJI-UHFFFAOYSA-N 1 2 389.271 1.752 20 30 GDEDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883086799 657268658 /nfs/dbraw/zinc/26/86/58/657268658.db2.gz FFHRDNSRSJCWSD-LLVKDONJSA-N 1 2 381.278 1.473 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000884155434 657330961 /nfs/dbraw/zinc/33/09/61/657330961.db2.gz BVNMUMOJJQXUMS-RISCZKNCSA-N 1 2 385.258 1.779 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000891607151 658255009 /nfs/dbraw/zinc/25/50/09/658255009.db2.gz RETIMKLRBWVZLE-ZDUSSCGKSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C)cc2Br)C1 ZINC000891607151 658255013 /nfs/dbraw/zinc/25/50/13/658255013.db2.gz RETIMKLRBWVZLE-ZDUSSCGKSA-N 1 2 378.270 1.910 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ncc(I)s2)C1 ZINC000902729693 659276802 /nfs/dbraw/zinc/27/68/02/659276802.db2.gz LMICMDTZGIJOEC-SECBINFHSA-N 1 2 375.235 1.575 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ncc(I)s2)C1 ZINC000902729693 659276810 /nfs/dbraw/zinc/27/68/10/659276810.db2.gz LMICMDTZGIJOEC-SECBINFHSA-N 1 2 375.235 1.575 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2c(cc1C#N)CCC2 ZINC001164707441 719868351 /nfs/dbraw/zinc/86/83/51/719868351.db2.gz SPCORICBZJZLEM-UTKZUKDTSA-N 1 2 384.480 1.675 20 30 GDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)cc3C#N)C2)C1 ZINC001164721990 720271414 /nfs/dbraw/zinc/27/14/14/720271414.db2.gz NZUYZYLIBAYTOC-GOSISDBHSA-N 1 2 377.876 1.271 20 30 GDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)cc3C#N)C2)C1 ZINC001164721990 720271423 /nfs/dbraw/zinc/27/14/23/720271423.db2.gz NZUYZYLIBAYTOC-GOSISDBHSA-N 1 2 377.876 1.271 20 30 GDEDLO N#Cc1c(F)ccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164916985 721786777 /nfs/dbraw/zinc/78/67/77/721786777.db2.gz UNLJAJJIUYUVBL-HXUWFJFHSA-N 1 2 383.427 1.595 20 30 GDEDLO N#Cc1c(F)ccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164916985 721786785 /nfs/dbraw/zinc/78/67/85/721786785.db2.gz UNLJAJJIUYUVBL-HXUWFJFHSA-N 1 2 383.427 1.595 20 30 GDEDLO CCc1nc(C#N)c(C#N)nc1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164918092 721821096 /nfs/dbraw/zinc/82/10/96/721821096.db2.gz BAUHDTNBFYQSEN-UHFFFAOYSA-N 1 2 376.468 1.728 20 30 GDEDLO COc1cc(C#N)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164948466 721974910 /nfs/dbraw/zinc/97/49/10/721974910.db2.gz ZODBDTXSHUMYSX-UHFFFAOYSA-N 1 2 391.475 1.933 20 30 GDEDLO COc1cc(C#N)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164948466 721974913 /nfs/dbraw/zinc/97/49/13/721974913.db2.gz ZODBDTXSHUMYSX-UHFFFAOYSA-N 1 2 391.475 1.933 20 30 GDEDLO C=C(Br)C[N@H+](C)CCCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573291856 946923985 /nfs/dbraw/zinc/92/39/85/946923985.db2.gz KTBVSDYYWHVVJC-UHFFFAOYSA-N 1 2 382.266 1.497 20 30 GDEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001573292570 946936023 /nfs/dbraw/zinc/93/60/23/946936023.db2.gz XUMKFROBRLJDMF-GXFFZTMASA-N 1 2 392.261 1.250 20 30 GDEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001573292570 946936031 /nfs/dbraw/zinc/93/60/31/946936031.db2.gz XUMKFROBRLJDMF-GXFFZTMASA-N 1 2 392.261 1.250 20 30 GDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573315771 947261483 /nfs/dbraw/zinc/26/14/83/947261483.db2.gz PFWKTTUCGJQFAS-JCURWCKSSA-N 1 2 388.447 1.269 20 30 GDEDLO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573315771 947261499 /nfs/dbraw/zinc/26/14/99/947261499.db2.gz PFWKTTUCGJQFAS-JCURWCKSSA-N 1 2 388.447 1.269 20 30 GDEDLO C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001573336111 947499794 /nfs/dbraw/zinc/49/97/94/947499794.db2.gz ISNXREBSTJCOJJ-OKILXGFUSA-N 1 2 388.497 1.696 20 30 GDEDLO C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001573336111 947499803 /nfs/dbraw/zinc/49/98/03/947499803.db2.gz ISNXREBSTJCOJJ-OKILXGFUSA-N 1 2 388.497 1.696 20 30 GDEDLO CN1CC[C@@H]([NH+]2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O ZINC000181437390 530783348 /nfs/dbraw/zinc/78/33/48/530783348.db2.gz ABVRAMWCYDBRNZ-HZPDHXFCSA-N 1 2 377.286 1.862 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@@H+]1CCO ZINC000188731743 530900192 /nfs/dbraw/zinc/90/01/92/530900192.db2.gz HZNRLFVWADKKKP-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1CCO ZINC000188731743 530900193 /nfs/dbraw/zinc/90/01/93/530900193.db2.gz HZNRLFVWADKKKP-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO Cn1cc[nH+]c1CN1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000113944249 530891863 /nfs/dbraw/zinc/89/18/63/530891863.db2.gz OCIIXDVROWJZJN-UHFFFAOYSA-N 1 2 379.873 1.452 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2nc(Br)ccc2C)CC1 ZINC000191208719 530944962 /nfs/dbraw/zinc/94/49/62/530944962.db2.gz ZUADHZOXPYCUPI-UHFFFAOYSA-N 1 2 393.285 1.050 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2nc(Br)ccc2C)CC1 ZINC000191208719 530944966 /nfs/dbraw/zinc/94/49/66/530944966.db2.gz ZUADHZOXPYCUPI-UHFFFAOYSA-N 1 2 393.285 1.050 20 30 GDEDLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000157424424 531206647 /nfs/dbraw/zinc/20/66/47/531206647.db2.gz QCOZJRAIEWVYLO-UHFFFAOYSA-N 1 2 384.889 1.043 20 30 GDEDLO Cn1cc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cc1C#N ZINC000276540949 531213599 /nfs/dbraw/zinc/21/35/99/531213599.db2.gz DWCXHEQABAGRCB-GDNBJRDFSA-N 1 2 376.507 1.820 20 30 GDEDLO C[N@@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000276982180 531245866 /nfs/dbraw/zinc/24/58/66/531245866.db2.gz SVIBIPRLBNNANH-HNNXBMFYSA-N 1 2 383.901 1.943 20 30 GDEDLO C[N@H+]1CCO[C@H](CN(CC2CC2)S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000276982180 531245872 /nfs/dbraw/zinc/24/58/72/531245872.db2.gz SVIBIPRLBNNANH-HNNXBMFYSA-N 1 2 383.901 1.943 20 30 GDEDLO N#Cc1cc(S(=O)(=O)NCC[NH+]2CCSCC2)ccc1C(F)(F)F ZINC000410131808 531278009 /nfs/dbraw/zinc/27/80/09/531278009.db2.gz SSCCPEIWLQRURV-UHFFFAOYSA-N 1 2 379.429 1.904 20 30 GDEDLO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000411416099 531322070 /nfs/dbraw/zinc/32/20/70/531322070.db2.gz CITNVJQBBQETBB-HOTGVXAUSA-N 1 2 377.286 1.910 20 30 GDEDLO COCC(COC)[NH+]1CCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000412446082 531371625 /nfs/dbraw/zinc/37/16/25/531371625.db2.gz NVISZNYOSNJOTG-UHFFFAOYSA-N 1 2 396.285 1.740 20 30 GDEDLO CC1(C)C[N@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000449825712 531477813 /nfs/dbraw/zinc/47/78/13/531477813.db2.gz CWJYUJQZBMFWRX-UHFFFAOYSA-N 1 2 396.285 1.927 20 30 GDEDLO CC1(C)C[N@@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000449825712 531477815 /nfs/dbraw/zinc/47/78/15/531477815.db2.gz CWJYUJQZBMFWRX-UHFFFAOYSA-N 1 2 396.285 1.927 20 30 GDEDLO CC[C@H]1C[N@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000451240718 531574335 /nfs/dbraw/zinc/57/43/35/531574335.db2.gz INTFGJUPZNDICN-AWEZNQCLSA-N 1 2 396.285 1.927 20 30 GDEDLO CC[C@H]1C[N@@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000451240718 531574338 /nfs/dbraw/zinc/57/43/38/531574338.db2.gz INTFGJUPZNDICN-AWEZNQCLSA-N 1 2 396.285 1.927 20 30 GDEDLO N#Cc1cc(S(=O)(=O)N2CC[NH+](CCCO)CC2)ccc1C(F)(F)F ZINC000282414354 531750495 /nfs/dbraw/zinc/75/04/95/531750495.db2.gz STVPAOVCKVMNML-UHFFFAOYSA-N 1 2 377.388 1.266 20 30 GDEDLO Cc1nc(S(=O)(=O)N2CC[NH+](CCc3ccc(C#N)cc3)CC2)cs1 ZINC000595364393 531876980 /nfs/dbraw/zinc/87/69/80/531876980.db2.gz OLCZLVSUJQACDZ-UHFFFAOYSA-N 1 2 376.507 1.872 20 30 GDEDLO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000576277560 532021996 /nfs/dbraw/zinc/02/19/96/532021996.db2.gz GXFLRBWAERLBGN-ZDUSSCGKSA-N 1 2 379.467 1.904 20 30 GDEDLO N#Cc1c(NC(=O)CC[N@H+]2CCSC[C@H]2C(N)=O)sc2c1CCCC2 ZINC000271551415 532024931 /nfs/dbraw/zinc/02/49/31/532024931.db2.gz LODJCTFERWEGFE-ZDUSSCGKSA-N 1 2 378.523 1.730 20 30 GDEDLO N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@H]2C(N)=O)sc2c1CCCC2 ZINC000271551415 532024942 /nfs/dbraw/zinc/02/49/42/532024942.db2.gz LODJCTFERWEGFE-ZDUSSCGKSA-N 1 2 378.523 1.730 20 30 GDEDLO COc1cc(C#N)ccc1C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826177060 608355328 /nfs/dbraw/zinc/35/53/28/608355328.db2.gz PYHAXEMPWOJZAW-UHFFFAOYSA-N 1 2 376.424 1.464 20 30 GDEDLO C=CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000532467553 650024967 /nfs/dbraw/zinc/02/49/67/650024967.db2.gz MLEWZJPBMJSSIF-UHFFFAOYSA-N 1 2 387.889 1.417 20 30 GDEDLO C=CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000532467553 650024971 /nfs/dbraw/zinc/02/49/71/650024971.db2.gz MLEWZJPBMJSSIF-UHFFFAOYSA-N 1 2 387.889 1.417 20 30 GDEDLO CS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C1 ZINC000329696114 645322198 /nfs/dbraw/zinc/32/21/98/645322198.db2.gz BQHMVRLVQQDRGO-AWEZNQCLSA-N 1 2 386.543 1.836 20 30 GDEDLO N#Cc1cc(Br)ccc1CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000593735643 652246202 /nfs/dbraw/zinc/24/62/02/652246202.db2.gz TUBDORIDOVWKPZ-IYBDPMFKSA-N 1 2 378.270 1.843 20 30 GDEDLO N#Cc1cc(Br)ccc1CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000593735643 652246208 /nfs/dbraw/zinc/24/62/08/652246208.db2.gz TUBDORIDOVWKPZ-IYBDPMFKSA-N 1 2 378.270 1.843 20 30 GDEDLO N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000597624536 652455351 /nfs/dbraw/zinc/45/53/51/652455351.db2.gz CMXVFZMKHHJLBM-MRXNPFEDSA-N 1 2 377.286 1.369 20 30 GDEDLO N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000597624536 652455353 /nfs/dbraw/zinc/45/53/53/652455353.db2.gz CMXVFZMKHHJLBM-MRXNPFEDSA-N 1 2 377.286 1.369 20 30 GDEDLO CN(CCC#N)S(=O)(=O)N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000619796238 652989515 /nfs/dbraw/zinc/98/95/15/652989515.db2.gz OPBJGDNCQJOXFH-CQSZACIVSA-N 1 2 383.543 1.520 20 30 GDEDLO CN(CCC#N)S(=O)(=O)N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000619796238 652989516 /nfs/dbraw/zinc/98/95/16/652989516.db2.gz OPBJGDNCQJOXFH-CQSZACIVSA-N 1 2 383.543 1.520 20 30 GDEDLO C[C@H](C#N)OCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000801919040 654935887 /nfs/dbraw/zinc/93/58/87/654935887.db2.gz ACRDOBAQHCECRE-CQSZACIVSA-N 1 2 396.285 1.901 20 30 GDEDLO NC(=[NH+]OCc1nnnn1CC1CCOCC1)c1ccc(Br)cc1 ZINC000766115468 655259637 /nfs/dbraw/zinc/25/96/37/655259637.db2.gz VSIVUXITYHREAN-UHFFFAOYSA-N 1 2 395.261 1.699 20 30 GDEDLO CSCCNC(=S)NN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872361474 656324070 /nfs/dbraw/zinc/32/40/70/656324070.db2.gz CIBKINJEUJOHPU-UHFFFAOYSA-N 1 2 382.555 1.559 20 30 GDEDLO C[NH+]1CCC(C#N)(NC(=O)c2cnc(I)c(O)c2)CC1 ZINC000874437713 656469158 /nfs/dbraw/zinc/46/91/58/656469158.db2.gz AGXMHDMRMHTVCV-UHFFFAOYSA-N 1 2 386.193 1.110 20 30 GDEDLO CNC(=O)NC(=O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932945962 657232607 /nfs/dbraw/zinc/23/26/07/657232607.db2.gz JXCBXQGFJQTOOK-WDSKDSINSA-N 1 2 383.239 1.545 20 30 GDEDLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(C#N)c(C#N)nc1Cl)C2 ZINC001165009677 721703437 /nfs/dbraw/zinc/70/34/37/721703437.db2.gz BYTCBATUKXMFST-UHFFFAOYSA-N 1 2 385.863 1.715 20 30 GDEDLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(C#N)c(C#N)nc1Cl)C2 ZINC001165009677 721703444 /nfs/dbraw/zinc/70/34/44/721703444.db2.gz BYTCBATUKXMFST-UHFFFAOYSA-N 1 2 385.863 1.715 20 30 GDEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571309777 946453707 /nfs/dbraw/zinc/45/37/07/946453707.db2.gz KLEGDOFPMXQYSJ-HNNXBMFYSA-N 1 2 392.423 1.079 20 30 GDEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571309777 946453713 /nfs/dbraw/zinc/45/37/13/946453713.db2.gz KLEGDOFPMXQYSJ-HNNXBMFYSA-N 1 2 392.423 1.079 20 30 GDEDLO C=C(Br)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573291425 946919700 /nfs/dbraw/zinc/91/97/00/946919700.db2.gz CHRDTNFTIPZPEL-SNVBAGLBSA-N 1 2 382.266 1.544 20 30 GDEDLO C=C(Br)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573291425 946919708 /nfs/dbraw/zinc/91/97/08/946919708.db2.gz CHRDTNFTIPZPEL-SNVBAGLBSA-N 1 2 382.266 1.544 20 30 GDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573566009 947018343 /nfs/dbraw/zinc/01/83/43/947018343.db2.gz YWZPUGGSUIPEOQ-WQVCFCJDSA-N 1 2 383.431 1.731 20 30 GDEDLO C[C@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573566009 947018354 /nfs/dbraw/zinc/01/83/54/947018354.db2.gz YWZPUGGSUIPEOQ-WQVCFCJDSA-N 1 2 383.431 1.731 20 30 GDEDLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001574990592 950377419 /nfs/dbraw/zinc/37/74/19/950377419.db2.gz DEDPPBPSFKODDU-LLVKDONJSA-N 1 2 382.403 1.456 20 30 GDEDLO C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001574990592 950377440 /nfs/dbraw/zinc/37/74/40/950377440.db2.gz DEDPPBPSFKODDU-LLVKDONJSA-N 1 2 382.403 1.456 20 30 GDEDLO C[C@@H](C(=O)NC(N)=O)[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120992366 530948687 /nfs/dbraw/zinc/94/86/87/530948687.db2.gz FYJNTIKDXFZWHT-FZMZJTMJSA-N 1 2 394.273 1.215 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000264203387 531173134 /nfs/dbraw/zinc/17/31/34/531173134.db2.gz UEGXFEDIQOBDEQ-UHFFFAOYSA-N 1 2 382.291 1.820 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000264203387 531173139 /nfs/dbraw/zinc/17/31/39/531173139.db2.gz UEGXFEDIQOBDEQ-UHFFFAOYSA-N 1 2 382.291 1.820 20 30 GDEDLO CC#CCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000154408243 531183314 /nfs/dbraw/zinc/18/33/14/531183314.db2.gz FFYJSHMYEUUDAF-UHFFFAOYSA-N 1 2 382.277 1.845 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N2CC(=O)Nc3c[nH+]ccc32)cc1Br ZINC000433872627 531236038 /nfs/dbraw/zinc/23/60/38/531236038.db2.gz MBJBHRPSSVAWCH-UHFFFAOYSA-N 1 2 393.222 1.863 20 30 GDEDLO C=CCCCS(=O)(=O)Nc1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000291857455 531318411 /nfs/dbraw/zinc/31/84/11/531318411.db2.gz JJTDVRXBHWQLDH-UHFFFAOYSA-N 1 2 387.527 1.331 20 30 GDEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000266731445 531364895 /nfs/dbraw/zinc/36/48/95/531364895.db2.gz LSYVGTAYIAIJRG-UHFFFAOYSA-N 1 2 384.483 1.548 20 30 GDEDLO C[C@@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000267486502 531428680 /nfs/dbraw/zinc/42/86/80/531428680.db2.gz YTHVCQZBKKPFLH-RISCZKNCSA-N 1 2 387.889 1.205 20 30 GDEDLO CN(C[C@@H](O)C[N@H+](C)CCC#N)S(=O)(=O)c1ccc(Br)s1 ZINC000414140413 531432563 /nfs/dbraw/zinc/43/25/63/531432563.db2.gz HZCGHVCBFYCCJP-JTQLQIEISA-N 1 2 396.332 1.337 20 30 GDEDLO CN(C[C@@H](O)C[N@@H+](C)CCC#N)S(=O)(=O)c1ccc(Br)s1 ZINC000414140413 531432566 /nfs/dbraw/zinc/43/25/66/531432566.db2.gz HZCGHVCBFYCCJP-JTQLQIEISA-N 1 2 396.332 1.337 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[N@@H+]1CCO ZINC000494311401 531596188 /nfs/dbraw/zinc/59/61/88/531596188.db2.gz LWIBOTLLXGTDTH-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1CCO ZINC000494311401 531596189 /nfs/dbraw/zinc/59/61/89/531596189.db2.gz LWIBOTLLXGTDTH-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494735877 531621824 /nfs/dbraw/zinc/62/18/24/531621824.db2.gz PUXQXJZELDBGFA-HUUCEWRRSA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494735877 531621831 /nfs/dbraw/zinc/62/18/31/531621831.db2.gz PUXQXJZELDBGFA-HUUCEWRRSA-N 1 2 385.555 1.665 20 30 GDEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000452104662 531764500 /nfs/dbraw/zinc/76/45/00/531764500.db2.gz MQCXEFMSOHEVSW-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000452104662 531764507 /nfs/dbraw/zinc/76/45/07/531764507.db2.gz MQCXEFMSOHEVSW-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148773 531767385 /nfs/dbraw/zinc/76/73/85/531767385.db2.gz BNFAADMNFYBGLE-XHDPSFHLSA-N 1 2 399.232 1.969 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(I)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148773 531767392 /nfs/dbraw/zinc/76/73/92/531767392.db2.gz BNFAADMNFYBGLE-XHDPSFHLSA-N 1 2 399.232 1.969 20 30 GDEDLO NC(=[NH+]OCC(=O)Nc1cccc(I)c1)[C@H]1CCCO1 ZINC000284000413 531918971 /nfs/dbraw/zinc/91/89/71/531918971.db2.gz HHJJUVSHIANKRX-LLVKDONJSA-N 1 2 389.193 1.698 20 30 GDEDLO CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000598587703 531987109 /nfs/dbraw/zinc/98/71/09/531987109.db2.gz TXLGWGPYOKFDFB-OAHLLOKOSA-N 1 2 385.917 1.947 20 30 GDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000599690916 532036935 /nfs/dbraw/zinc/03/69/35/532036935.db2.gz BHSTUYHZOXWMGY-GFCCVEGCSA-N 1 2 384.889 1.411 20 30 GDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000599690916 532036938 /nfs/dbraw/zinc/03/69/38/532036938.db2.gz BHSTUYHZOXWMGY-GFCCVEGCSA-N 1 2 384.889 1.411 20 30 GDEDLO Cc1c(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)ccc(Br)c1C#N ZINC000425719656 532146450 /nfs/dbraw/zinc/14/64/50/532146450.db2.gz AEZSHTJMDOFZLX-JTQLQIEISA-N 1 2 390.241 1.969 20 30 GDEDLO COCC[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000286810877 532178247 /nfs/dbraw/zinc/17/82/47/532178247.db2.gz ZOVRFOLRQWYCBX-UHFFFAOYSA-N 1 2 388.287 1.273 20 30 GDEDLO Cc1cc(Br)cn2cc(CNC(=O)C(=O)NCCCCC#N)[nH+]c12 ZINC000286760601 532173318 /nfs/dbraw/zinc/17/33/18/532173318.db2.gz POYUGUMJYVIPLZ-UHFFFAOYSA-N 1 2 392.257 1.832 20 30 GDEDLO N#Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cc1Br ZINC000288132941 532266348 /nfs/dbraw/zinc/26/63/48/532266348.db2.gz UKXDDWIVCRWMPH-UHFFFAOYSA-N 1 2 377.242 1.566 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)nc1 ZINC000289390849 532322651 /nfs/dbraw/zinc/32/26/51/532322651.db2.gz JZYOJEUYJHSQMA-CQSZACIVSA-N 1 2 377.388 1.506 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)nc1 ZINC000289390849 532322654 /nfs/dbraw/zinc/32/26/54/532322654.db2.gz JZYOJEUYJHSQMA-CQSZACIVSA-N 1 2 377.388 1.506 20 30 GDEDLO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736309558 599099431 /nfs/dbraw/zinc/09/94/31/599099431.db2.gz QCCLNGVRLSRTMO-WMZOPIPTSA-N 1 2 391.435 1.864 20 30 GDEDLO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000736309556 599099547 /nfs/dbraw/zinc/09/95/47/599099547.db2.gz QCCLNGVRLSRTMO-SJLPKXTDSA-N 1 2 391.435 1.864 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000735420753 598303203 /nfs/dbraw/zinc/30/32/03/598303203.db2.gz SDIDAAAOJWIZRN-UHFFFAOYSA-N 1 2 399.499 1.675 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000735420753 598303205 /nfs/dbraw/zinc/30/32/05/598303205.db2.gz SDIDAAAOJWIZRN-UHFFFAOYSA-N 1 2 399.499 1.675 20 30 GDEDLO Cn1cc(C#N)cc1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822665507 606274491 /nfs/dbraw/zinc/27/44/91/606274491.db2.gz RDZAPJRKWZDICG-UHFFFAOYSA-N 1 2 376.424 1.035 20 30 GDEDLO C#CCOc1ccc(C[N@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000823856291 608838000 /nfs/dbraw/zinc/83/80/00/608838000.db2.gz OLSSTXHRQBHENB-OAHLLOKOSA-N 1 2 390.451 1.379 20 30 GDEDLO C#CCOc1ccc(C[N@@H+]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)cc1 ZINC000823856291 608838003 /nfs/dbraw/zinc/83/80/03/608838003.db2.gz OLSSTXHRQBHENB-OAHLLOKOSA-N 1 2 390.451 1.379 20 30 GDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(Br)cnc2Cl)CC1 ZINC000921439629 660300435 /nfs/dbraw/zinc/30/04/35/660300435.db2.gz GCQFXEFCZBYMBF-UHFFFAOYSA-N 1 2 392.706 1.873 20 30 GDEDLO C=CCSCCNC(=O)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000602238075 652625434 /nfs/dbraw/zinc/62/54/34/652625434.db2.gz FQIHWDVFUNVZCH-UHFFFAOYSA-N 1 2 380.539 1.286 20 30 GDEDLO Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(=O)c1C#N ZINC000848375085 655488665 /nfs/dbraw/zinc/48/86/65/655488665.db2.gz GHRYYVOOSJKLMI-LLVKDONJSA-N 1 2 390.241 1.629 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCc2ccc(F)c(Br)c2C1 ZINC000884429947 657356130 /nfs/dbraw/zinc/35/61/30/657356130.db2.gz ZCARIVWHFSLPFL-ZDUSSCGKSA-N 1 2 385.233 1.920 20 30 GDEDLO CNC(=O)CC1S/C(=N\[C@H](C)c2cccs2)N(C[C@@H]2CC[N@@H+]2C)C1=O ZINC000901701724 659229419 /nfs/dbraw/zinc/22/94/19/659229419.db2.gz VKSNHDOVSWGGTP-IIIBGLJNSA-N 1 2 380.539 1.949 20 30 GDEDLO CNC(=O)CC1S/C(=N\[C@H](C)c2cccs2)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000901701724 659229421 /nfs/dbraw/zinc/22/94/21/659229421.db2.gz VKSNHDOVSWGGTP-IIIBGLJNSA-N 1 2 380.539 1.949 20 30 GDEDLO C#CC[NH+]1CCC(NC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000914330106 660140350 /nfs/dbraw/zinc/14/03/50/660140350.db2.gz KIDWROWZHZVUBL-UHFFFAOYSA-N 1 2 383.901 1.511 20 30 GDEDLO COCCN1CC[N@H+](C)C2(CCN(c3ncc4c(c3C#N)CCCC4)CC2)C1=O ZINC001164644647 719285281 /nfs/dbraw/zinc/28/52/81/719285281.db2.gz NWOIJZRJJGELON-UHFFFAOYSA-N 1 2 397.523 1.591 20 30 GDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc4c(c3C#N)CCCC4)CC2)C1=O ZINC001164644647 719285283 /nfs/dbraw/zinc/28/52/83/719285283.db2.gz NWOIJZRJJGELON-UHFFFAOYSA-N 1 2 397.523 1.591 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)ncc1C#N ZINC001164702697 719841876 /nfs/dbraw/zinc/84/18/76/719841876.db2.gz OYQDZOSFCZWKQZ-RDTXWAMCSA-N 1 2 378.860 1.839 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cnc1C#N ZINC001164700403 719845834 /nfs/dbraw/zinc/84/58/34/719845834.db2.gz KDXSDDKLNPGBKG-SJCJKPOMSA-N 1 2 379.848 1.234 20 30 GDEDLO N#Cc1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1F ZINC001164917055 721782370 /nfs/dbraw/zinc/78/23/70/721782370.db2.gz WGFASIJZTYMHQN-FQEVSTJZSA-N 1 2 383.427 1.595 20 30 GDEDLO N#Cc1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1F ZINC001164917055 721782371 /nfs/dbraw/zinc/78/23/71/721782371.db2.gz WGFASIJZTYMHQN-FQEVSTJZSA-N 1 2 383.427 1.595 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cn3cc(Br)ccc3n2)CC1 ZINC000051148225 530677910 /nfs/dbraw/zinc/67/79/10/530677910.db2.gz KFIWQZDRSVZXRU-UHFFFAOYSA-N 1 2 392.301 1.517 20 30 GDEDLO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[NH+](CCCO)CC1 ZINC000182443316 530799863 /nfs/dbraw/zinc/79/98/63/530799863.db2.gz SYEWWPMJUCIOMV-UHFFFAOYSA-N 1 2 377.388 1.266 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)c(C)c2)CC1 ZINC000118980337 530920599 /nfs/dbraw/zinc/92/05/99/530920599.db2.gz XVYSBVXJGNGJQQ-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)c(C)c2)CC1 ZINC000118980337 530920603 /nfs/dbraw/zinc/92/06/03/530920603.db2.gz XVYSBVXJGNGJQQ-UHFFFAOYSA-N 1 2 392.297 1.655 20 30 GDEDLO COC(=O)CN(CC[NH+]1CCOCC1)Cc1cc(C#N)ccc1Br ZINC000191792700 530955014 /nfs/dbraw/zinc/95/50/14/530955014.db2.gz GXYXTCKXIRPOPA-UHFFFAOYSA-N 1 2 396.285 1.628 20 30 GDEDLO N#Cc1ccc(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 ZINC000131890219 531076284 /nfs/dbraw/zinc/07/62/84/531076284.db2.gz HDMFRFHCQDJGBC-UHFFFAOYSA-N 1 2 376.404 1.509 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CSc2ccccc2Cl)CC1 ZINC000264175232 531171581 /nfs/dbraw/zinc/17/15/81/531171581.db2.gz MTPXTFUBCZYRHI-UHFFFAOYSA-N 1 2 379.913 1.716 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CSc2ccccc2Cl)CC1 ZINC000264175232 531171583 /nfs/dbraw/zinc/17/15/83/531171583.db2.gz MTPXTFUBCZYRHI-UHFFFAOYSA-N 1 2 379.913 1.716 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000264176515 531171739 /nfs/dbraw/zinc/17/17/39/531171739.db2.gz NEOLLIZBCFTGEW-UHFFFAOYSA-N 1 2 378.270 1.346 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000264176515 531171742 /nfs/dbraw/zinc/17/17/42/531171742.db2.gz NEOLLIZBCFTGEW-UHFFFAOYSA-N 1 2 378.270 1.346 20 30 GDEDLO CC1(C)C[NH+]=C(N2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)S1 ZINC000292599445 531365159 /nfs/dbraw/zinc/36/51/59/531365159.db2.gz MYLHBHKKZKPJHD-UHFFFAOYSA-N 1 2 382.486 1.885 20 30 GDEDLO C[N@H+](CCC#N)C[C@@H](O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000414097920 531431652 /nfs/dbraw/zinc/43/16/52/531431652.db2.gz OEISSFVYEHOGNV-CQSZACIVSA-N 1 2 384.527 1.165 20 30 GDEDLO C[N@@H+](CCC#N)C[C@@H](O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000414097920 531431656 /nfs/dbraw/zinc/43/16/56/531431656.db2.gz OEISSFVYEHOGNV-CQSZACIVSA-N 1 2 384.527 1.165 20 30 GDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)COc1cccc(Br)c1C#N ZINC000449628389 531473311 /nfs/dbraw/zinc/47/33/11/531473311.db2.gz ILSPSKQFOYNGDO-LBPRGKRZSA-N 1 2 382.258 1.536 20 30 GDEDLO CN(CC[NH+]1CCOCC1)C(=O)COc1cccc(Br)c1C#N ZINC000449830154 531478805 /nfs/dbraw/zinc/47/88/05/531478805.db2.gz WFXOQYMOBOVFLR-UHFFFAOYSA-N 1 2 382.258 1.490 20 30 GDEDLO C=CCNC(=O)NC(=O)C[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000556506835 531497882 /nfs/dbraw/zinc/49/78/82/531497882.db2.gz HASFXXNQPVYFAB-UHFFFAOYSA-N 1 2 381.274 1.583 20 30 GDEDLO N#CCc1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000451248854 531576195 /nfs/dbraw/zinc/57/61/95/531576195.db2.gz PGSUMDXDYCMWIC-OAHLLOKOSA-N 1 2 383.901 1.749 20 30 GDEDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)COc1cccc(Br)c1C#N ZINC000451287244 531584140 /nfs/dbraw/zinc/58/41/40/531584140.db2.gz QQSKQDIIHDUJKD-ZDUSSCGKSA-N 1 2 396.285 1.879 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@H]1C[N@H+](C)CCO1 ZINC000618999730 531700814 /nfs/dbraw/zinc/70/08/14/531700814.db2.gz WHOQREPULIMISC-QMTHXVAHSA-N 1 2 388.287 1.318 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000618999730 531700819 /nfs/dbraw/zinc/70/08/19/531700819.db2.gz WHOQREPULIMISC-QMTHXVAHSA-N 1 2 388.287 1.318 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc(OC)ncc2Br)CC1 ZINC000621242410 531739552 /nfs/dbraw/zinc/73/95/52/531739552.db2.gz IGIWHZSHLWQOFI-UHFFFAOYSA-N 1 2 383.290 1.273 20 30 GDEDLO C[NH+](C)C[C@](C)(C#N)NC(=O)CCNC(=O)Nc1ccc(Br)cc1 ZINC000563539039 531850077 /nfs/dbraw/zinc/85/00/77/531850077.db2.gz LTYLUNPTHVSTAS-INIZCTEOSA-N 1 2 396.289 1.921 20 30 GDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000595722992 531888815 /nfs/dbraw/zinc/88/88/15/531888815.db2.gz NIIGIPNXMKABNR-CYBMUJFWSA-N 1 2 395.301 1.971 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000312054407 532054448 /nfs/dbraw/zinc/05/44/48/532054448.db2.gz YKHFHDPBOFXZCQ-OAHLLOKOSA-N 1 2 377.491 1.799 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000312054407 532054456 /nfs/dbraw/zinc/05/44/56/532054456.db2.gz YKHFHDPBOFXZCQ-OAHLLOKOSA-N 1 2 377.491 1.799 20 30 GDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603273956 532086714 /nfs/dbraw/zinc/08/67/14/532086714.db2.gz SYRNPJAHBLRREK-NSHDSACASA-N 1 2 378.274 1.505 20 30 GDEDLO Cc1c(NC(=O)C(=O)NCCc2cn(C)c[nH+]2)ccc(Br)c1C#N ZINC000425765956 532150656 /nfs/dbraw/zinc/15/06/56/532150656.db2.gz CDVZZRMCHJJYGX-UHFFFAOYSA-N 1 2 390.241 1.660 20 30 GDEDLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2C)CC1 ZINC000425729297 532147519 /nfs/dbraw/zinc/14/75/19/532147519.db2.gz XOFXPVPTPBMZHW-UHFFFAOYSA-N 1 2 379.258 1.732 20 30 GDEDLO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000735526432 598252581 /nfs/dbraw/zinc/25/25/81/598252581.db2.gz WWGBKWGIPUDYIG-YWZLYKJASA-N 1 2 396.499 1.432 20 30 GDEDLO C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)CC1 ZINC000737515096 600593786 /nfs/dbraw/zinc/59/37/86/600593786.db2.gz GKNWCAFLQQGNNP-FQEVSTJZSA-N 1 2 392.459 1.861 20 30 GDEDLO COc1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1C#N ZINC000826195477 607480354 /nfs/dbraw/zinc/48/03/54/607480354.db2.gz VZCLYAGJRWRQNY-UHFFFAOYSA-N 1 2 376.424 1.464 20 30 GDEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826186814 607519738 /nfs/dbraw/zinc/51/97/38/607519738.db2.gz LVXCGEABLZOQBX-UHFFFAOYSA-N 1 2 376.424 1.464 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000820803889 606979501 /nfs/dbraw/zinc/97/95/01/606979501.db2.gz JJBRSFLOVVALCO-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000820803889 606979503 /nfs/dbraw/zinc/97/95/03/606979503.db2.gz JJBRSFLOVVALCO-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820804345 607087281 /nfs/dbraw/zinc/08/72/81/607087281.db2.gz QYEMTUHGROOYNK-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000820804345 607087284 /nfs/dbraw/zinc/08/72/84/607087284.db2.gz QYEMTUHGROOYNK-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO CN(CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000329315348 645305910 /nfs/dbraw/zinc/30/59/10/645305910.db2.gz QJYADLJWCGJKDZ-AWEZNQCLSA-N 1 2 386.543 1.836 20 30 GDEDLO Cc1ccc(F)c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1Br ZINC000331196589 645477343 /nfs/dbraw/zinc/47/73/43/645477343.db2.gz YLASUCZMZGPSGY-LLVKDONJSA-N 1 2 375.238 1.894 20 30 GDEDLO N#Cc1cc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)ccc1Br ZINC000907135818 659677371 /nfs/dbraw/zinc/67/73/71/659677371.db2.gz GLQWMFPXMYPIIQ-NSHDSACASA-N 1 2 381.255 1.811 20 30 GDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)CC1 ZINC000921437020 660300239 /nfs/dbraw/zinc/30/02/39/660300239.db2.gz KBBQYKWFSIAKFL-UHFFFAOYSA-N 1 2 388.848 1.642 20 30 GDEDLO C[C@@]1(F)C[NH2+]CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 ZINC000575059497 651580237 /nfs/dbraw/zinc/58/02/37/651580237.db2.gz YSOXXAUSJAURFG-CYBMUJFWSA-N 1 2 376.251 1.643 20 30 GDEDLO O=S(=O)(c1ccc(NNC2=CS(=O)(=O)CCC2)[nH+]c1)N1CCCCC1 ZINC000731924769 654453336 /nfs/dbraw/zinc/45/33/36/654453336.db2.gz JKALNIDYECOSPN-UHFFFAOYSA-N 1 2 386.499 1.233 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000733149069 654500942 /nfs/dbraw/zinc/50/09/42/654500942.db2.gz XPQODSDFBZTETA-FNORWQNLSA-N 1 2 394.269 1.339 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000733149069 654500946 /nfs/dbraw/zinc/50/09/46/654500946.db2.gz XPQODSDFBZTETA-FNORWQNLSA-N 1 2 394.269 1.339 20 30 GDEDLO C[S@](=O)CC[NH+]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000746464535 654761464 /nfs/dbraw/zinc/76/14/64/654761464.db2.gz CVNRWUWOJWMBBL-VWLOTQADSA-N 1 2 382.917 1.536 20 30 GDEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000730096072 654925127 /nfs/dbraw/zinc/92/51/27/654925127.db2.gz BNEFLFJOQCAHMC-HNNXBMFYSA-N 1 2 378.270 1.944 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(=O)Nc1ccccc1Br ZINC000730096072 654925128 /nfs/dbraw/zinc/92/51/28/654925128.db2.gz BNEFLFJOQCAHMC-HNNXBMFYSA-N 1 2 378.270 1.944 20 30 GDEDLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000758311584 655056633 /nfs/dbraw/zinc/05/66/33/655056633.db2.gz ZNZAYJGITGJGEW-FOCLMDBBSA-N 1 2 383.857 1.360 20 30 GDEDLO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000758311585 655056662 /nfs/dbraw/zinc/05/66/62/655056662.db2.gz ZNZAYJGITGJGEW-NXVVXOECSA-N 1 2 383.857 1.360 20 30 GDEDLO C#CCNS(=O)(=O)N1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000761032202 655131636 /nfs/dbraw/zinc/13/16/36/655131636.db2.gz GHDGDMHBRLXYEM-UHFFFAOYSA-N 1 2 392.308 1.457 20 30 GDEDLO Cn1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(Br)n1 ZINC000858160763 655745038 /nfs/dbraw/zinc/74/50/38/655745038.db2.gz PGBVLNUTABTQCY-HNNXBMFYSA-N 1 2 388.269 1.945 20 30 GDEDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(Br)cnc1C#N ZINC000858687165 655752537 /nfs/dbraw/zinc/75/25/37/655752537.db2.gz HDAAOTBVXAJCRA-INIZCTEOSA-N 1 2 381.274 1.743 20 30 GDEDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(Br)cnc1C#N ZINC000858687165 655752538 /nfs/dbraw/zinc/75/25/38/655752538.db2.gz HDAAOTBVXAJCRA-INIZCTEOSA-N 1 2 381.274 1.743 20 30 GDEDLO O=C(NCC#CCO)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000923769787 656599306 /nfs/dbraw/zinc/59/93/06/656599306.db2.gz RENCBQVLPHLWJA-UHFFFAOYSA-N 1 2 381.230 1.446 20 30 GDEDLO N#Cc1c(Br)cccc1OCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913453177 660080311 /nfs/dbraw/zinc/08/03/11/660080311.db2.gz JMCGPIGCISCVJV-AWEZNQCLSA-N 1 2 390.241 1.596 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)ncc1C#N ZINC001164702691 719841739 /nfs/dbraw/zinc/84/17/39/719841739.db2.gz OYQDZOSFCZWKQZ-KBXCAEBGSA-N 1 2 378.860 1.839 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(Cl)c1C#N ZINC001164696984 719846181 /nfs/dbraw/zinc/84/61/81/719846181.db2.gz BKYXPUSANVIDLD-ACJLOTCBSA-N 1 2 378.860 1.839 20 30 GDEDLO CCc1nc(C#N)c(C#N)nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164700676 719877274 /nfs/dbraw/zinc/87/72/74/719877274.db2.gz FFICJTGQYQYJJJ-VBKZILBWSA-N 1 2 398.467 1.015 20 30 GDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc(Cl)c3C#N)C2)C1 ZINC001164716795 720226634 /nfs/dbraw/zinc/22/66/34/720226634.db2.gz FDZIYKNPTHMUQR-GOSISDBHSA-N 1 2 377.876 1.271 20 30 GDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc(Cl)c3C#N)C2)C1 ZINC001164716795 720226640 /nfs/dbraw/zinc/22/66/40/720226640.db2.gz FDZIYKNPTHMUQR-GOSISDBHSA-N 1 2 377.876 1.271 20 30 GDEDLO Cc1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)nc1C#N ZINC001164823384 720449912 /nfs/dbraw/zinc/44/99/12/720449912.db2.gz ISSLOTSXNFOBNG-QGZVFWFLSA-N 1 2 396.495 1.448 20 30 GDEDLO N#CC1(CS(=O)(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000166076620 530582192 /nfs/dbraw/zinc/58/21/92/530582192.db2.gz SNBWJPZIAQVDRQ-UHFFFAOYSA-N 1 2 382.917 1.685 20 30 GDEDLO CCNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000179460811 530742033 /nfs/dbraw/zinc/74/20/33/530742033.db2.gz COILRJIZJYQORP-SMDDNHRTSA-N 1 2 384.889 1.552 20 30 GDEDLO CCNS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000179460811 530742037 /nfs/dbraw/zinc/74/20/37/530742037.db2.gz COILRJIZJYQORP-SMDDNHRTSA-N 1 2 384.889 1.552 20 30 GDEDLO COCCNC(=O)C[NH+]1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000121816937 530962124 /nfs/dbraw/zinc/96/21/24/530962124.db2.gz GSWXNOPOYIAADG-UHFFFAOYSA-N 1 2 381.274 1.205 20 30 GDEDLO C[C@H](O[NH+]=C(N)CCO)C(=O)Nc1ccc(I)cc1 ZINC000121394318 530955871 /nfs/dbraw/zinc/95/58/71/530955871.db2.gz LJVDIJSTZMNQKU-QMMMGPOBSA-N 1 2 377.182 1.289 20 30 GDEDLO C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CS(=O)(=O)c3ccc(Cl)cc32)CC1 ZINC000129058845 531047617 /nfs/dbraw/zinc/04/76/17/531047617.db2.gz IAPDKFVFRINCCU-INIZCTEOSA-N 1 2 380.897 1.972 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000245524211 531057656 /nfs/dbraw/zinc/05/76/56/531057656.db2.gz AGPQHUPDPIATTR-GDBMZVCRSA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000245524211 531057658 /nfs/dbraw/zinc/05/76/58/531057658.db2.gz AGPQHUPDPIATTR-GDBMZVCRSA-N 1 2 385.555 1.665 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2oc(Br)cc2C)CC1 ZINC000264964979 531216684 /nfs/dbraw/zinc/21/66/84/531216684.db2.gz FXVHEAJYDOAXJZ-UHFFFAOYSA-N 1 2 382.258 1.248 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2oc(Br)cc2C)CC1 ZINC000264964979 531216690 /nfs/dbraw/zinc/21/66/90/531216690.db2.gz FXVHEAJYDOAXJZ-UHFFFAOYSA-N 1 2 382.258 1.248 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277737241 531307453 /nfs/dbraw/zinc/30/74/53/531307453.db2.gz KNLAVOSCTIJNDL-HIFRSBDPSA-N 1 2 376.400 1.967 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000277737241 531307460 /nfs/dbraw/zinc/30/74/60/531307460.db2.gz KNLAVOSCTIJNDL-HIFRSBDPSA-N 1 2 376.400 1.967 20 30 GDEDLO Cc1cc(S(=O)(=O)N2CC[NH+](C[C@H](O)CC3(C#N)CC3)CC2)c(C)s1 ZINC000528408714 531354915 /nfs/dbraw/zinc/35/49/15/531354915.db2.gz LOJBBNRBEPKUQO-OAHLLOKOSA-N 1 2 383.539 1.726 20 30 GDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc(OC)ccc2Br)CC1 ZINC000267058934 531392699 /nfs/dbraw/zinc/39/26/99/531392699.db2.gz PEDFJLIZMCTZOY-UHFFFAOYSA-N 1 2 387.299 1.787 20 30 GDEDLO CC(=O)N1CC[NH+](CCNC(=O)c2cccc(C#N)c2Br)CC1 ZINC000448697066 531458193 /nfs/dbraw/zinc/45/81/93/531458193.db2.gz BZDSYESNSOSQDK-UHFFFAOYSA-N 1 2 379.258 1.215 20 30 GDEDLO N#CCCC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000584348979 531615150 /nfs/dbraw/zinc/61/51/50/531615150.db2.gz VMIMGZGCSXXOSM-UHFFFAOYSA-N 1 2 384.889 1.942 20 30 GDEDLO C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 ZINC000295696185 531613282 /nfs/dbraw/zinc/61/32/82/531613282.db2.gz MADFKQGJSAXMDV-UHFFFAOYSA-N 1 2 392.930 1.672 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[N@@H+]1CCO ZINC000416475831 531635991 /nfs/dbraw/zinc/63/59/91/531635991.db2.gz VXCVXSASYHHINR-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CC[N@H+]1CCO ZINC000416475831 531635995 /nfs/dbraw/zinc/63/59/95/531635995.db2.gz VXCVXSASYHHINR-NSHDSACASA-N 1 2 388.287 1.008 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@H]1C[N@H+](C)CCO1 ZINC000588120518 531648264 /nfs/dbraw/zinc/64/82/64/531648264.db2.gz OIMDBJSIOOTUSQ-ZWNOBZJWSA-N 1 2 388.287 1.318 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)Nc1ccnc(Br)c1 ZINC000296728448 531718236 /nfs/dbraw/zinc/71/82/36/531718236.db2.gz CBJHCXQHFCYRCS-UHFFFAOYSA-N 1 2 382.262 1.924 20 30 GDEDLO N#CC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000592149248 531767367 /nfs/dbraw/zinc/76/73/67/531767367.db2.gz LJWJAEHLWQIHTB-AWEZNQCLSA-N 1 2 385.205 1.580 20 30 GDEDLO N#CC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000592149248 531767373 /nfs/dbraw/zinc/76/73/73/531767373.db2.gz LJWJAEHLWQIHTB-AWEZNQCLSA-N 1 2 385.205 1.580 20 30 GDEDLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147052 531767537 /nfs/dbraw/zinc/76/75/37/531767537.db2.gz HXFXMKDYKDMMOW-QGZVFWFLSA-N 1 2 396.285 1.637 20 30 GDEDLO CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592147052 531767544 /nfs/dbraw/zinc/76/75/44/531767544.db2.gz HXFXMKDYKDMMOW-QGZVFWFLSA-N 1 2 396.285 1.637 20 30 GDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287356890 532210506 /nfs/dbraw/zinc/21/05/06/532210506.db2.gz XWIYZUFIHFLIGW-CQSZACIVSA-N 1 2 397.273 1.478 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000735420738 598303072 /nfs/dbraw/zinc/30/30/72/598303072.db2.gz RNPGNQZODTZRTR-HNNXBMFYSA-N 1 2 385.472 1.285 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000735420738 598303074 /nfs/dbraw/zinc/30/30/74/598303074.db2.gz RNPGNQZODTZRTR-HNNXBMFYSA-N 1 2 385.472 1.285 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000825000443 607640263 /nfs/dbraw/zinc/64/02/63/607640263.db2.gz QPQTWDHLEUFGCC-AWEZNQCLSA-N 1 2 378.415 1.358 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000825000443 607640264 /nfs/dbraw/zinc/64/02/64/607640264.db2.gz QPQTWDHLEUFGCC-AWEZNQCLSA-N 1 2 378.415 1.358 20 30 GDEDLO N#Cc1cccc(CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822837861 606520296 /nfs/dbraw/zinc/52/02/96/606520296.db2.gz VZBYASDSLGZODD-UHFFFAOYSA-N 1 2 387.447 1.625 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000820804063 606778481 /nfs/dbraw/zinc/77/84/81/606778481.db2.gz METXLTMNJNNKHL-CQSZACIVSA-N 1 2 391.439 1.270 20 30 GDEDLO C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000820804063 606778482 /nfs/dbraw/zinc/77/84/82/606778482.db2.gz METXLTMNJNNKHL-CQSZACIVSA-N 1 2 391.439 1.270 20 30 GDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820804595 606778654 /nfs/dbraw/zinc/77/86/54/606778654.db2.gz VPDQRIHXFLFANU-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820804595 606778656 /nfs/dbraw/zinc/77/86/56/606778656.db2.gz VPDQRIHXFLFANU-GFCCVEGCSA-N 1 2 379.403 1.378 20 30 GDEDLO NC(=[NH+]OCCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CCO2 ZINC000826387973 607811319 /nfs/dbraw/zinc/81/13/19/607811319.db2.gz CGVWWFVVZXEWKO-UHFFFAOYSA-N 1 2 380.408 1.908 20 30 GDEDLO N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000499674488 648088415 /nfs/dbraw/zinc/08/84/15/648088415.db2.gz ZPEODKKTERDCNL-GFCCVEGCSA-N 1 2 388.225 1.587 20 30 GDEDLO COC(=O)CCc1nc(CO[NH+]=C(N)c2ccc(Br)cc2)no1 ZINC000782949811 654849332 /nfs/dbraw/zinc/84/93/32/654849332.db2.gz MQIMNLODHMVQTR-UHFFFAOYSA-N 1 2 383.202 1.775 20 30 GDEDLO C=C(Br)COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000786995059 654956678 /nfs/dbraw/zinc/95/66/78/654956678.db2.gz HEOAUZARVLUDHE-ZDUSSCGKSA-N 1 2 375.263 1.152 20 30 GDEDLO CS(=O)(=O)CCN[NH+]=Cc1cc(Br)cc(Br)c1N ZINC000763406065 655193470 /nfs/dbraw/zinc/19/34/70/655193470.db2.gz KAXHPLQGNMDIFI-UHFFFAOYSA-N 1 2 399.108 1.762 20 30 GDEDLO N#CCCNC(=O)CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000796191692 655206518 /nfs/dbraw/zinc/20/65/18/655206518.db2.gz OWXJLWHFKVVZNK-UHFFFAOYSA-N 1 2 380.246 1.771 20 30 GDEDLO O=S(=O)(Nc1nncs1)c1ccc(N=NC2CC[N@@H+]3CCC[C@@H]23)cc1 ZINC000765580416 655243581 /nfs/dbraw/zinc/24/35/81/655243581.db2.gz ICPJSONQANGLCX-AWEZNQCLSA-N 1 2 378.483 1.975 20 30 GDEDLO O=S(=O)(Nc1nncs1)c1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765580416 655243584 /nfs/dbraw/zinc/24/35/84/655243584.db2.gz ICPJSONQANGLCX-AWEZNQCLSA-N 1 2 378.483 1.975 20 30 GDEDLO CN(C)c1nc(C=[NH+]N[C@@H]2CCS(=O)(=O)C2)c(Cl)n1-c1ccccc1 ZINC000818194132 655369564 /nfs/dbraw/zinc/36/95/64/655369564.db2.gz CIOYKYMFYZUWNC-GFCCVEGCSA-N 1 2 381.889 1.702 20 30 GDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)COc1ccc(C#N)c(Br)c1 ZINC000928646102 656920060 /nfs/dbraw/zinc/92/00/60/656920060.db2.gz JALFYNVSBRWEPS-AWEZNQCLSA-N 1 2 396.285 1.927 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000884459174 657358782 /nfs/dbraw/zinc/35/87/82/657358782.db2.gz XITARGVTNRUILK-WMHQRMGPSA-N 1 2 379.254 1.650 20 30 GDEDLO C#CC[N@H+]1CCC[C@H](NS(=O)(=O)Cc2ncsc2Br)C1 ZINC000885509059 657481137 /nfs/dbraw/zinc/48/11/37/657481137.db2.gz OYCRMXWVRKQIHQ-JTQLQIEISA-N 1 2 378.317 1.423 20 30 GDEDLO C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)Cc2ncsc2Br)C1 ZINC000885509059 657481143 /nfs/dbraw/zinc/48/11/43/657481143.db2.gz OYCRMXWVRKQIHQ-JTQLQIEISA-N 1 2 378.317 1.423 20 30 GDEDLO CN1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)CC[N@H+](C)CC1 ZINC000907789084 659831748 /nfs/dbraw/zinc/83/17/48/659831748.db2.gz FNJIGRBTJVDBOK-UHFFFAOYSA-N 1 2 378.523 1.641 20 30 GDEDLO CN1CCN(S(=O)(=O)c2c(C#N)sc3ccccc32)CC[N@@H+](C)CC1 ZINC000907789084 659831751 /nfs/dbraw/zinc/83/17/51/659831751.db2.gz FNJIGRBTJVDBOK-UHFFFAOYSA-N 1 2 378.523 1.641 20 30 GDEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)[C@@H](n2ccnn2)C1 ZINC001070006469 677680295 /nfs/dbraw/zinc/68/02/95/677680295.db2.gz XKUPWNZBSCFMST-SYQHCUMBSA-N 1 2 375.885 1.771 20 30 GDEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)[C@@H](n2ccnn2)C1 ZINC001070006469 677680296 /nfs/dbraw/zinc/68/02/96/677680296.db2.gz XKUPWNZBSCFMST-SYQHCUMBSA-N 1 2 375.885 1.771 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cnc1C#N ZINC001164700402 719845657 /nfs/dbraw/zinc/84/56/57/719845657.db2.gz KDXSDDKLNPGBKG-PXAZEXFGSA-N 1 2 379.848 1.234 20 30 GDEDLO C=CCOc1cc(C)nc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)n1 ZINC001164717607 720254742 /nfs/dbraw/zinc/25/47/42/720254742.db2.gz BTOMUHMCIAPRFT-FQEVSTJZSA-N 1 2 389.500 1.015 20 30 GDEDLO C=CCOc1cc(C)nc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)n1 ZINC001164717607 720254750 /nfs/dbraw/zinc/25/47/50/720254750.db2.gz BTOMUHMCIAPRFT-FQEVSTJZSA-N 1 2 389.500 1.015 20 30 GDEDLO Cc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(C#N)c1 ZINC001164825372 720435434 /nfs/dbraw/zinc/43/54/34/720435434.db2.gz RTFVAYLPJOAOSQ-SFHVURJKSA-N 1 2 396.495 1.448 20 30 GDEDLO Cc1cc(C#N)cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915722 721798545 /nfs/dbraw/zinc/79/85/45/721798545.db2.gz YVXZQJNXYSESHZ-NRFANRHFSA-N 1 2 379.464 1.765 20 30 GDEDLO Cc1cc(C#N)cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915722 721798549 /nfs/dbraw/zinc/79/85/49/721798549.db2.gz YVXZQJNXYSESHZ-NRFANRHFSA-N 1 2 379.464 1.765 20 30 GDEDLO C=C(Cl)C[N@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C[C@H](C)O2 ZINC001573294765 946996556 /nfs/dbraw/zinc/99/65/56/946996556.db2.gz GPXRVIDNAYLPRA-SJCJKPOMSA-N 1 2 391.863 1.253 20 30 GDEDLO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C[C@H](C)O2 ZINC001573294765 946996563 /nfs/dbraw/zinc/99/65/63/946996563.db2.gz GPXRVIDNAYLPRA-SJCJKPOMSA-N 1 2 391.863 1.253 20 30 GDEDLO N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c(F)c1 ZINC001571155713 952699101 /nfs/dbraw/zinc/69/91/01/952699101.db2.gz YIZHYWQKYDNCSA-CYBMUJFWSA-N 1 2 380.387 1.210 20 30 GDEDLO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c(F)c1 ZINC001571155713 952699106 /nfs/dbraw/zinc/69/91/06/952699106.db2.gz YIZHYWQKYDNCSA-CYBMUJFWSA-N 1 2 380.387 1.210 20 30 GDEDLO C[N@@H+]1CCO[C@H]([C@H](NS(=O)(=O)CC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000166228705 530582315 /nfs/dbraw/zinc/58/23/15/530582315.db2.gz FPWAHOFWHUXFID-JKSUJKDBSA-N 1 2 383.901 1.935 20 30 GDEDLO C[N@H+]1CCO[C@H]([C@H](NS(=O)(=O)CC2(C#N)CC2)c2ccc(Cl)cc2)C1 ZINC000166228705 530582319 /nfs/dbraw/zinc/58/23/19/530582319.db2.gz FPWAHOFWHUXFID-JKSUJKDBSA-N 1 2 383.901 1.935 20 30 GDEDLO C[C@H](C(=O)NC(N)=O)[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000120992809 530948735 /nfs/dbraw/zinc/94/87/35/530948735.db2.gz FYJNTIKDXFZWHT-BXUZGUMPSA-N 1 2 394.273 1.215 20 30 GDEDLO CCOc1cc(C#N)cc(Br)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000153405602 531166891 /nfs/dbraw/zinc/16/68/91/531166891.db2.gz CZABIJMRQCZDOL-ZDUSSCGKSA-N 1 2 385.258 1.791 20 30 GDEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000266692002 531362939 /nfs/dbraw/zinc/36/29/39/531362939.db2.gz CMFQNJIWNPQSSN-UHFFFAOYSA-N 1 2 384.483 1.548 20 30 GDEDLO C=CCNC(=O)NC(=O)C[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000485103249 531428565 /nfs/dbraw/zinc/42/85/65/531428565.db2.gz IEAPJTUVEZPTEL-UHFFFAOYSA-N 1 2 376.276 1.317 20 30 GDEDLO C=CCNC(=O)NC(=O)C[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485103249 531428566 /nfs/dbraw/zinc/42/85/66/531428566.db2.gz IEAPJTUVEZPTEL-UHFFFAOYSA-N 1 2 376.276 1.317 20 30 GDEDLO C=CCNC(=O)c1cccc(S(=O)(=O)Nc2nc(C[NH+](C)C)cs2)c1 ZINC000414455512 531452758 /nfs/dbraw/zinc/45/27/58/531452758.db2.gz HOGYNSSGKQVCHC-UHFFFAOYSA-N 1 2 380.495 1.921 20 30 GDEDLO CC(C)(CNC(=O)COc1cccc(Br)c1C#N)[NH+]1CCOCC1 ZINC000449041998 531466155 /nfs/dbraw/zinc/46/61/55/531466155.db2.gz PHPXNHVCGUBNPM-UHFFFAOYSA-N 1 2 396.285 1.927 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3cc(Br)ccc32)CC1 ZINC000450233788 531490088 /nfs/dbraw/zinc/49/00/88/531490088.db2.gz OUOUZPWWOKDTBE-UHFFFAOYSA-N 1 2 390.285 1.817 20 30 GDEDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000450233486 531490155 /nfs/dbraw/zinc/49/01/55/531490155.db2.gz OSYZNAKIGWRXBA-LLVKDONJSA-N 1 2 378.274 1.505 20 30 GDEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1C#N ZINC000294841996 531501100 /nfs/dbraw/zinc/50/11/00/531501100.db2.gz FJSGPVNLXCUYNW-CQSZACIVSA-N 1 2 382.258 1.086 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000560830999 531668264 /nfs/dbraw/zinc/66/82/64/531668264.db2.gz LTRNXPOPHYSHTD-HNNXBMFYSA-N 1 2 385.555 1.619 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000560830999 531668273 /nfs/dbraw/zinc/66/82/73/531668273.db2.gz LTRNXPOPHYSHTD-HNNXBMFYSA-N 1 2 385.555 1.619 20 30 GDEDLO CN(Cc1cc(Br)cs1)C(=O)CO[NH+]=C(N)[C@@H]1CCCO1 ZINC000284535601 531965927 /nfs/dbraw/zinc/96/59/27/531965927.db2.gz VFLFJVYBJRUIEV-NSHDSACASA-N 1 2 376.276 1.937 20 30 GDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000599693403 532036951 /nfs/dbraw/zinc/03/69/51/532036951.db2.gz PDQASEGNLNHHBS-CYBMUJFWSA-N 1 2 384.527 1.436 20 30 GDEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000599693403 532036958 /nfs/dbraw/zinc/03/69/58/532036958.db2.gz PDQASEGNLNHHBS-CYBMUJFWSA-N 1 2 384.527 1.436 20 30 GDEDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc(S(C)(=O)=O)c(Cl)c3)C[C@@H]21 ZINC000330227897 532118531 /nfs/dbraw/zinc/11/85/31/532118531.db2.gz CGFWEPKMZWXSAO-UONOGXRCSA-N 1 2 387.889 1.172 20 30 GDEDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCc3ccc(S(C)(=O)=O)c(Cl)c3)C[C@@H]21 ZINC000330227897 532118535 /nfs/dbraw/zinc/11/85/35/532118535.db2.gz CGFWEPKMZWXSAO-UONOGXRCSA-N 1 2 387.889 1.172 20 30 GDEDLO CS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000274168009 532190834 /nfs/dbraw/zinc/19/08/34/532190834.db2.gz NFBVLIBEYRYUMD-GFCCVEGCSA-N 1 2 381.523 1.946 20 30 GDEDLO CS(=O)(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000274168009 532190839 /nfs/dbraw/zinc/19/08/39/532190839.db2.gz NFBVLIBEYRYUMD-GFCCVEGCSA-N 1 2 381.523 1.946 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000016639057 212100409 /nfs/dbraw/zinc/10/04/09/212100409.db2.gz GXRBPVJIHHCGKE-UHFFFAOYSA-N 1 2 386.477 1.508 20 30 GDEDLO N#CCCn1ncc2c1nc[nH+]c2NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822810678 599049510 /nfs/dbraw/zinc/04/95/10/599049510.db2.gz KUYNDSALXAZABJ-UHFFFAOYSA-N 1 2 376.384 1.411 20 30 GDEDLO N#Cc1ccc([C@@H](O)CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822825385 606849550 /nfs/dbraw/zinc/84/95/50/606849550.db2.gz CXEFHOQFAPLQIR-FQEVSTJZSA-N 1 2 389.463 1.590 20 30 GDEDLO N#Cc1ccc([C@@H](O)C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822825385 606849552 /nfs/dbraw/zinc/84/95/52/606849552.db2.gz CXEFHOQFAPLQIR-FQEVSTJZSA-N 1 2 389.463 1.590 20 30 GDEDLO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000819709967 606886422 /nfs/dbraw/zinc/88/64/22/606886422.db2.gz 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C#CC[C@H]1NC(=O)N(CCc2cn3cc(Br)cc(C)c3[nH+]2)C1=O ZINC000842243487 655360164 /nfs/dbraw/zinc/36/01/64/655360164.db2.gz HRJMABJLIHSPKM-CYBMUJFWSA-N 1 2 375.226 1.891 20 30 GDEDLO C#CCNC(=O)CCNc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000819474810 655391435 /nfs/dbraw/zinc/39/14/35/655391435.db2.gz FCOVZUGCKONPMQ-UHFFFAOYSA-N 1 2 379.302 1.752 20 30 GDEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000865092485 655912025 /nfs/dbraw/zinc/91/20/25/655912025.db2.gz RGUCEQXKQCANKI-KGLIPLIRSA-N 1 2 375.897 1.859 20 30 GDEDLO C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000865092485 655912027 /nfs/dbraw/zinc/91/20/27/655912027.db2.gz RGUCEQXKQCANKI-KGLIPLIRSA-N 1 2 375.897 1.859 20 30 GDEDLO C#Cc1ccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c(Cl)c1 ZINC000933369921 657274136 /nfs/dbraw/zinc/27/41/36/657274136.db2.gz XZDWMZCBEUHWDK-UHFFFAOYSA-N 1 2 383.901 1.952 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Br)cc2F)C1 ZINC000891607599 658254749 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/nfs/dbraw/zinc/10/95/32/532109532.db2.gz PCSACPLAVCCWGD-NSHDSACASA-N 1 2 375.420 1.856 20 30 GDEDLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000330410552 532122572 /nfs/dbraw/zinc/12/25/72/532122572.db2.gz YTHDEEZNEYUKAX-LBPRGKRZSA-N 1 2 376.404 1.101 20 30 GDEDLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000330410552 532122576 /nfs/dbraw/zinc/12/25/76/532122576.db2.gz YTHDEEZNEYUKAX-LBPRGKRZSA-N 1 2 376.404 1.101 20 30 GDEDLO N#C[C@@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCO1 ZINC000333214324 532225585 /nfs/dbraw/zinc/22/55/85/532225585.db2.gz UPIBFYXFMADTJF-LLVKDONJSA-N 1 2 396.245 1.437 20 30 GDEDLO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736816664 598616275 /nfs/dbraw/zinc/61/62/75/598616275.db2.gz MORAKLMXULOTKW-QGZVFWFLSA-N 1 2 387.403 1.502 20 30 GDEDLO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736816664 598616276 /nfs/dbraw/zinc/61/62/76/598616276.db2.gz 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C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Br)c3ncc(C=O)n3c2)C1 ZINC000923594184 656573789 /nfs/dbraw/zinc/57/37/89/656573789.db2.gz HILJERFJHJQEHM-CYBMUJFWSA-N 1 2 389.253 1.737 20 30 GDEDLO CS(=O)(=O)CC[NH+]1CCC(Nc2cc(C#N)c(Br)cn2)CC1 ZINC000881961740 657005568 /nfs/dbraw/zinc/00/55/68/657005568.db2.gz FXRZBINEERVRTA-UHFFFAOYSA-N 1 2 387.303 1.637 20 30 GDEDLO C#CCNS(=O)(=O)N1CC[NH+](Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000895917025 658739299 /nfs/dbraw/zinc/73/92/99/658739299.db2.gz ABCIIBRXSKIJET-UHFFFAOYSA-N 1 2 384.914 1.535 20 30 GDEDLO CNS(=O)(=O)c1ccc(N2CC[NH+](Cc3csc(C#N)c3)CC2)cc1 ZINC000896002760 658744298 /nfs/dbraw/zinc/74/42/98/658744298.db2.gz QNIBYDVLMCRZGM-UHFFFAOYSA-N 1 2 376.507 1.850 20 30 GDEDLO CCC1=C(C(=O)C(=O)OC)[C@H](c2cc(-n3cc[nH+]c3)cs2)NC(=S)N1 ZINC000901210522 659202773 /nfs/dbraw/zinc/20/27/73/659202773.db2.gz NBIXNUNDFFKSBT-ZDUSSCGKSA-N 1 2 376.463 1.859 20 30 GDEDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1C#N ZINC001164706144 719845933 /nfs/dbraw/zinc/84/59/33/719845933.db2.gz WJTXTRULPUIBGD-GUYCJALGSA-N 1 2 379.848 1.234 20 30 GDEDLO CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164700677 719877049 /nfs/dbraw/zinc/87/70/49/719877049.db2.gz FFICJTGQYQYJJJ-VLIAUNLRSA-N 1 2 398.467 1.015 20 30 GDEDLO Cc1[nH+]c(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)ccc1CC#N ZINC001164708096 719926140 /nfs/dbraw/zinc/92/61/40/719926140.db2.gz BZKCJTRWMCEOAB-UHFFFAOYSA-N 1 2 393.495 1.140 20 30 GDEDLO N#CCc1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164917029 721790120 /nfs/dbraw/zinc/79/01/20/721790120.db2.gz VYFFHIBILVRQBD-OAQYLSRUSA-N 1 2 379.464 1.650 20 30 GDEDLO N#CCc1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164917029 721790122 /nfs/dbraw/zinc/79/01/22/721790122.db2.gz VYFFHIBILVRQBD-OAQYLSRUSA-N 1 2 379.464 1.650 20 30 GDEDLO C[C@@H](C#N)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573564882 946998751 /nfs/dbraw/zinc/99/87/51/946998751.db2.gz 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C=CC[N@H+](CCOC)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000484682187 531422634 /nfs/dbraw/zinc/42/26/34/531422634.db2.gz SYOCYVPIBVYCKE-UHFFFAOYSA-N 1 2 389.905 1.663 20 30 GDEDLO CCc1n[nH]c(C(=O)N(CCC#N)CC[NH+]2CCOCC2)c1Br ZINC000279325592 531426272 /nfs/dbraw/zinc/42/62/72/531426272.db2.gz XTPIBRYMFYJFNW-UHFFFAOYSA-N 1 2 384.278 1.423 20 30 GDEDLO C[C@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000267486505 531429271 /nfs/dbraw/zinc/42/92/71/531429271.db2.gz YTHVCQZBKKPFLH-SMDDNHRTSA-N 1 2 387.889 1.205 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)sc2Br)CC1 ZINC000268357802 531497557 /nfs/dbraw/zinc/49/75/57/531497557.db2.gz BQAXREQIHSLTAR-UHFFFAOYSA-N 1 2 398.326 1.716 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)sc2Br)CC1 ZINC000268357802 531497567 /nfs/dbraw/zinc/49/75/67/531497567.db2.gz BQAXREQIHSLTAR-UHFFFAOYSA-N 1 2 398.326 1.716 20 30 GDEDLO N#CCC1(CS(=O)(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000451105490 531548848 /nfs/dbraw/zinc/54/88/48/531548848.db2.gz CKNJAYHWTAAXMS-UHFFFAOYSA-N 1 2 383.436 1.597 20 30 GDEDLO C[N@@H+]1CCO[C@@H](CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000295381145 531569720 /nfs/dbraw/zinc/56/97/20/531569720.db2.gz AOMJYJLJGWSLPQ-JTQLQIEISA-N 1 2 392.250 1.069 20 30 GDEDLO C[N@H+]1CCO[C@@H](CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000295381145 531569731 /nfs/dbraw/zinc/56/97/31/531569731.db2.gz AOMJYJLJGWSLPQ-JTQLQIEISA-N 1 2 392.250 1.069 20 30 GDEDLO C[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)C[NH+]1CCN(C)CC1 ZINC000451239731 531574059 /nfs/dbraw/zinc/57/40/59/531574059.db2.gz BUIQXFVXDXNUER-CQSZACIVSA-N 1 2 384.933 1.568 20 30 GDEDLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365277185 531634398 /nfs/dbraw/zinc/63/43/98/531634398.db2.gz YUBQPALBQFEFQY-FZMZJTMJSA-N 1 2 384.889 1.552 20 30 GDEDLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000365277185 531634406 /nfs/dbraw/zinc/63/44/06/531634406.db2.gz YUBQPALBQFEFQY-FZMZJTMJSA-N 1 2 384.889 1.552 20 30 GDEDLO COCCN(CCC#N)S(=O)(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000281877584 531674553 /nfs/dbraw/zinc/67/45/53/531674553.db2.gz CZEGZBBDRJHUDK-HNNXBMFYSA-N 1 2 386.543 1.534 20 30 GDEDLO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000576277559 532021385 /nfs/dbraw/zinc/02/13/85/532021385.db2.gz GXFLRBWAERLBGN-CYBMUJFWSA-N 1 2 379.467 1.904 20 30 GDEDLO N#CCCC[C@@H]([NH3+])C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000424120838 532083528 /nfs/dbraw/zinc/08/35/28/532083528.db2.gz HSJDSZNHDWSRKT-CYBMUJFWSA-N 1 2 379.467 1.904 20 30 GDEDLO CN1CC[C@H]([NH+]2CCC(NC(=O)c3csc(S(C)(=O)=O)c3)CC2)C1=O ZINC000329466114 532103673 /nfs/dbraw/zinc/10/36/73/532103673.db2.gz VLNKFLSTACBLNH-ZDUSSCGKSA-N 1 2 385.511 1.151 20 30 GDEDLO CN(CCC#N)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000330557734 532128019 /nfs/dbraw/zinc/12/80/19/532128019.db2.gz QOUIWJAAEPFSJC-HOTGVXAUSA-N 1 2 386.905 1.392 20 30 GDEDLO CN(CCC#N)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000330557734 532128020 /nfs/dbraw/zinc/12/80/20/532128020.db2.gz QOUIWJAAEPFSJC-HOTGVXAUSA-N 1 2 386.905 1.392 20 30 GDEDLO Cc1c(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)ccc(Br)c1C#N ZINC000425719659 532146334 /nfs/dbraw/zinc/14/63/34/532146334.db2.gz AEZSHTJMDOFZLX-SNVBAGLBSA-N 1 2 390.241 1.969 20 30 GDEDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287636582 532230211 /nfs/dbraw/zinc/23/02/11/532230211.db2.gz ZVEARZSCOVTUNO-NSHDSACASA-N 1 2 395.257 1.096 20 30 GDEDLO C#CCCS(=O)(=O)N1CCCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000377392364 532257864 /nfs/dbraw/zinc/25/78/64/532257864.db2.gz WPVLOZJAXDYCJO-UHFFFAOYSA-N 1 2 380.901 1.849 20 30 GDEDLO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000736818392 598615851 /nfs/dbraw/zinc/61/58/51/598615851.db2.gz OQLHUVNLCFAWNE-KRWDZBQOSA-N 1 2 387.403 1.502 20 30 GDEDLO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000736818392 598615853 /nfs/dbraw/zinc/61/58/53/598615853.db2.gz OQLHUVNLCFAWNE-KRWDZBQOSA-N 1 2 387.403 1.502 20 30 GDEDLO CC1(C)CN(Cc2ccnc(C#N)c2)CC[N@@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824808457 607520623 /nfs/dbraw/zinc/52/06/23/607520623.db2.gz SHDBJRKQOCTKCO-UHFFFAOYSA-N 1 2 389.467 1.625 20 30 GDEDLO CC1(C)CN(Cc2ccnc(C#N)c2)CC[N@H+]1Cc1ccnc(-c2nn[nH]n2)c1 ZINC000824808457 607520625 /nfs/dbraw/zinc/52/06/25/607520625.db2.gz SHDBJRKQOCTKCO-UHFFFAOYSA-N 1 2 389.467 1.625 20 30 GDEDLO NC(=[NH+]OCCCOc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)CCO2 ZINC000826387937 607811215 /nfs/dbraw/zinc/81/12/15/607811215.db2.gz AFWGJUHHKVRXLQ-UHFFFAOYSA-N 1 2 380.408 1.908 20 30 GDEDLO COc1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc(Cl)c1O ZINC000916311855 660191162 /nfs/dbraw/zinc/19/11/62/660191162.db2.gz SRNMHQQTNGEVPA-UHFFFAOYSA-N 1 2 386.905 1.575 20 30 GDEDLO N#Cc1cncc(S(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC000601515723 652590562 /nfs/dbraw/zinc/59/05/62/652590562.db2.gz QTLWPYBIDPVBCL-UHFFFAOYSA-N 1 2 375.479 1.380 20 30 GDEDLO C=CCCn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)nn1 ZINC000657461919 654150013 /nfs/dbraw/zinc/15/00/13/654150013.db2.gz MXEUPUFFUYPEOE-UHFFFAOYSA-N 1 2 387.868 1.715 20 30 GDEDLO C=CCCn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)nn1 ZINC000657457946 654150082 /nfs/dbraw/zinc/15/00/82/654150082.db2.gz FYYPLWOTBLCHJH-UHFFFAOYSA-N 1 2 387.868 1.715 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674496465 654601969 /nfs/dbraw/zinc/60/19/69/654601969.db2.gz XBOQUQFGIIRJRS-HNNXBMFYSA-N 1 2 385.555 1.619 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674496465 654601973 /nfs/dbraw/zinc/60/19/73/654601973.db2.gz XBOQUQFGIIRJRS-HNNXBMFYSA-N 1 2 385.555 1.619 20 30 GDEDLO C#CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 ZINC000744366228 654729439 /nfs/dbraw/zinc/72/94/39/654729439.db2.gz IOEIBMSBFNPGRV-UHFFFAOYSA-N 1 2 388.269 1.811 20 30 GDEDLO CCOC(=O)C1=C(C(C)=O)[C@@H](c2cc(-n3cc[nH+]c3)cs2)NC(=S)N1 ZINC000783940503 654874038 /nfs/dbraw/zinc/87/40/38/654874038.db2.gz UCHXHRWQALIHTC-CYBMUJFWSA-N 1 2 376.463 1.859 20 30 GDEDLO C#CCNC(=O)C1CC[NH+](CN2Cc3ccc(Br)cc3C2=O)CC1 ZINC000802728148 654952793 /nfs/dbraw/zinc/95/27/93/654952793.db2.gz XZBMINDUKQBUBH-UHFFFAOYSA-N 1 2 390.281 1.824 20 30 GDEDLO C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787887919 654974853 /nfs/dbraw/zinc/97/48/53/654974853.db2.gz GSIAKMRIFVZQSZ-GFCCVEGCSA-N 1 2 395.301 1.830 20 30 GDEDLO Cc1c(Br)c(C)n(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(=O)c1C#N ZINC000863911512 655883552 /nfs/dbraw/zinc/88/35/52/655883552.db2.gz YWEAYQCWOINZIA-MRVPVSSYSA-N 1 2 378.230 1.771 20 30 GDEDLO Cc1c(Br)c(C)n(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(=O)c1C#N ZINC000863911512 655883555 /nfs/dbraw/zinc/88/35/55/655883555.db2.gz YWEAYQCWOINZIA-MRVPVSSYSA-N 1 2 378.230 1.771 20 30 GDEDLO C#CCNC(=O)CC[N@H+]1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000879101303 656774236 /nfs/dbraw/zinc/77/42/36/656774236.db2.gz HLWUDOGCGBPQCO-UHFFFAOYSA-N 1 2 378.270 1.233 20 30 GDEDLO C#CCNC(=O)CC[N@@H+]1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000879101303 656774243 /nfs/dbraw/zinc/77/42/43/656774243.db2.gz HLWUDOGCGBPQCO-UHFFFAOYSA-N 1 2 378.270 1.233 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C)c(I)c1 ZINC000884051398 657321671 /nfs/dbraw/zinc/32/16/71/657321671.db2.gz DZUKGPVVXFUZSR-LBPRGKRZSA-N 1 2 388.205 1.985 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCN(c2ccc(Br)cc2)CC1 ZINC000884405538 657353568 /nfs/dbraw/zinc/35/35/68/657353568.db2.gz UDHDVBDOWQUCNB-HNNXBMFYSA-N 1 2 396.285 1.544 20 30 GDEDLO C#CCC[NH+]1CCN(C(=O)c2nscc2I)CC1 ZINC000906483685 659546723 /nfs/dbraw/zinc/54/67/23/659546723.db2.gz NHGHNWQQCDMDFW-UHFFFAOYSA-N 1 2 375.235 1.529 20 30 GDEDLO Cc1nc(C#N)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164947591 721976899 /nfs/dbraw/zinc/97/68/99/721976899.db2.gz POPXEUNMGVXZBM-UHFFFAOYSA-N 1 2 376.464 1.628 20 30 GDEDLO Cc1nc(C#N)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164947591 721976901 /nfs/dbraw/zinc/97/69/01/721976901.db2.gz POPXEUNMGVXZBM-UHFFFAOYSA-N 1 2 376.464 1.628 20 30 GDEDLO C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001571307553 946423135 /nfs/dbraw/zinc/42/31/35/946423135.db2.gz DZOUVCFBKSCDOH-GXFFZTMASA-N 1 2 392.261 1.250 20 30 GDEDLO C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001571307553 946423144 /nfs/dbraw/zinc/42/31/44/946423144.db2.gz DZOUVCFBKSCDOH-GXFFZTMASA-N 1 2 392.261 1.250 20 30 GDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@@H]2O)C1 ZINC001573296692 947050508 /nfs/dbraw/zinc/05/05/08/947050508.db2.gz XDTJAHDYEAFJAB-CVEARBPZSA-N 1 2 386.431 1.023 20 30 GDEDLO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@@H]2O)C1 ZINC001573296692 947050520 /nfs/dbraw/zinc/05/05/20/947050520.db2.gz XDTJAHDYEAFJAB-CVEARBPZSA-N 1 2 386.431 1.023 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2cc3c(cc2Br)OCO3)CC1 ZINC000023266285 530575102 /nfs/dbraw/zinc/57/51/02/530575102.db2.gz NHNJOBYZTDEGPZ-UHFFFAOYSA-N 1 2 396.285 1.598 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Br)cn2CC)CC1 ZINC000171975905 530606267 /nfs/dbraw/zinc/60/62/67/530606267.db2.gz FKAFQYFTANRPJZ-UHFFFAOYSA-N 1 2 395.301 1.168 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Br)cn2CC)CC1 ZINC000171975905 530606270 /nfs/dbraw/zinc/60/62/70/530606270.db2.gz FKAFQYFTANRPJZ-UHFFFAOYSA-N 1 2 395.301 1.168 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)c1ccc(Br)cc1O ZINC000094074144 530816147 /nfs/dbraw/zinc/81/61/47/530816147.db2.gz SSJLFPAJRQGWQF-UHFFFAOYSA-N 1 2 382.258 1.843 20 30 GDEDLO C#CCC[NH+]1CCN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CC1 ZINC000121074726 530949586 /nfs/dbraw/zinc/94/95/86/530949586.db2.gz PQDBYEOIVACQGU-UHFFFAOYSA-N 1 2 392.257 1.463 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000264171737 531170796 /nfs/dbraw/zinc/17/07/96/531170796.db2.gz MAZVVQHJRWFEIH-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Br)cc2F)CC1 ZINC000264171737 531170799 /nfs/dbraw/zinc/17/07/99/531170799.db2.gz MAZVVQHJRWFEIH-UHFFFAOYSA-N 1 2 396.260 1.486 20 30 GDEDLO C[N@@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000276982186 531245832 /nfs/dbraw/zinc/24/58/32/531245832.db2.gz SVIBIPRLBNNANH-OAHLLOKOSA-N 1 2 383.901 1.943 20 30 GDEDLO C[N@H+]1CCO[C@@H](CN(CC2CC2)S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000276982186 531245834 /nfs/dbraw/zinc/24/58/34/531245834.db2.gz SVIBIPRLBNNANH-OAHLLOKOSA-N 1 2 383.901 1.943 20 30 GDEDLO CC(C)(CNC(=O)COc1cc(Br)ccc1C#N)[NH+]1CCOCC1 ZINC000413005348 531393046 /nfs/dbraw/zinc/39/30/46/531393046.db2.gz BHEPTBXTRRQLHA-UHFFFAOYSA-N 1 2 396.285 1.927 20 30 GDEDLO C[C@@H](O[NH+]=C(N)Cc1ccccc1Cl)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000267487612 531428818 /nfs/dbraw/zinc/42/88/18/531428818.db2.gz YVXXRASGEBXGFM-DGCLKSJQSA-N 1 2 387.889 1.205 20 30 GDEDLO C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)[C@H](C)[NH+]1CCOCC1 ZINC000449846278 531478341 /nfs/dbraw/zinc/47/83/41/531478341.db2.gz XBADVGKOZAURPX-OLZOCXBDSA-N 1 2 396.285 1.925 20 30 GDEDLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592070855 531755701 /nfs/dbraw/zinc/75/57/01/531755701.db2.gz RJWSHYWZMREMKN-UHFFFAOYSA-N 1 2 376.404 1.742 20 30 GDEDLO CC#CC[NH2+]Cc1cn(C[C@H](O)COc2cc(F)cc(Br)c2)nn1 ZINC000641230089 531788646 /nfs/dbraw/zinc/78/86/46/531788646.db2.gz WDTGDHMGMUYRHB-HNNXBMFYSA-N 1 2 397.248 1.733 20 30 GDEDLO CN(C)C(=O)C[NH+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593385531 531830256 /nfs/dbraw/zinc/83/02/56/531830256.db2.gz AFMFMXPEZBMSLW-UHFFFAOYSA-N 1 2 393.285 1.096 20 30 GDEDLO COC1(C(F)(F)F)CC[NH+](CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000419351778 531927825 /nfs/dbraw/zinc/92/78/25/531927825.db2.gz PBVMPWLQYVCVHR-UHFFFAOYSA-N 1 2 377.388 1.770 20 30 GDEDLO C[C@@H]1C[N@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)[C@H](C)CO1 ZINC000597994739 531963804 /nfs/dbraw/zinc/96/38/04/531963804.db2.gz KQYHYMSQGXFDEV-CHWSQXEVSA-N 1 2 396.285 1.925 20 30 GDEDLO C[C@@H]1C[N@@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)[C@H](C)CO1 ZINC000597994739 531963810 /nfs/dbraw/zinc/96/38/10/531963810.db2.gz KQYHYMSQGXFDEV-CHWSQXEVSA-N 1 2 396.285 1.925 20 30 GDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000574858994 531999243 /nfs/dbraw/zinc/99/92/43/531999243.db2.gz FELHJGASZHKIDP-YVEFUNNKSA-N 1 2 393.285 1.762 20 30 GDEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000424729207 532106611 /nfs/dbraw/zinc/10/66/11/532106611.db2.gz LTDXGNBGQPJDKD-LLVKDONJSA-N 1 2 379.463 1.926 20 30 GDEDLO Cn1[nH]c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)nc1=O ZINC000329255085 532100668 /nfs/dbraw/zinc/10/06/68/532100668.db2.gz BHMSDZHYITVYGF-JTQLQIEISA-N 1 2 395.261 1.766 20 30 GDEDLO Cn1[nH]c(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)nc1=O ZINC000329255085 532100672 /nfs/dbraw/zinc/10/06/72/532100672.db2.gz BHMSDZHYITVYGF-JTQLQIEISA-N 1 2 395.261 1.766 20 30 GDEDLO CN(CCC#N)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000330557733 532127788 /nfs/dbraw/zinc/12/77/88/532127788.db2.gz QOUIWJAAEPFSJC-CVEARBPZSA-N 1 2 386.905 1.392 20 30 GDEDLO CN(CCC#N)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000330557733 532127794 /nfs/dbraw/zinc/12/77/94/532127794.db2.gz QOUIWJAAEPFSJC-CVEARBPZSA-N 1 2 386.905 1.392 20 30 GDEDLO COc1ccc(C(N)=[NH+]OCCOc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC000737076345 598979938 /nfs/dbraw/zinc/97/99/38/598979938.db2.gz QJCNLXVPAFDCKS-UHFFFAOYSA-N 1 2 384.396 1.600 20 30 GDEDLO C=CC[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735418709 598538790 /nfs/dbraw/zinc/53/87/90/598538790.db2.gz HHVSEFURJYZBEO-OAHLLOKOSA-N 1 2 377.470 1.311 20 30 GDEDLO C=CC[N@@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000735418709 598538791 /nfs/dbraw/zinc/53/87/91/598538791.db2.gz HHVSEFURJYZBEO-OAHLLOKOSA-N 1 2 377.470 1.311 20 30 GDEDLO C#CCNC(=O)C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC1 ZINC000819702282 599505145 /nfs/dbraw/zinc/50/51/45/599505145.db2.gz WQTHUNGDWHRRKJ-UHFFFAOYSA-N 1 2 375.436 1.689 20 30 GDEDLO C=CCN1CC[C@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C1=O ZINC000531693303 649995357 /nfs/dbraw/zinc/99/53/57/649995357.db2.gz IAAOEMAGNWVUAB-AWEZNQCLSA-N 1 2 391.269 1.676 20 30 GDEDLO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)C1=O ZINC000531693303 649995360 /nfs/dbraw/zinc/99/53/60/649995360.db2.gz IAAOEMAGNWVUAB-AWEZNQCLSA-N 1 2 391.269 1.676 20 30 GDEDLO C[NH+](C)CCNC(=O)C[C@H]1S/C(=N/c2cccc(Br)c2)NC1=O ZINC000106898550 644614417 /nfs/dbraw/zinc/61/44/17/644614417.db2.gz PGNMJANUWKARQN-GFCCVEGCSA-N 1 2 399.314 1.736 20 30 GDEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1COCCN1CC(F)F ZINC000329235103 645303461 /nfs/dbraw/zinc/30/34/61/645303461.db2.gz IHCJMDOVCHKJOE-XJKSGUPXSA-N 1 2 379.473 1.117 20 30 GDEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000497763237 648037266 /nfs/dbraw/zinc/03/72/66/648037266.db2.gz MTTVNVLKDDBHDS-SNVBAGLBSA-N 1 2 376.214 1.661 20 30 GDEDLO Cc1nc2ccc(Br)cc2c(=O)n1C[C@H](O)C[N@H+](C)CCC#N ZINC000518979300 648616220 /nfs/dbraw/zinc/61/62/20/648616220.db2.gz HILALIMHFWJXFC-CYBMUJFWSA-N 1 2 379.258 1.674 20 30 GDEDLO Cc1nc2ccc(Br)cc2c(=O)n1C[C@H](O)C[N@@H+](C)CCC#N ZINC000518979300 648616225 /nfs/dbraw/zinc/61/62/25/648616225.db2.gz HILALIMHFWJXFC-CYBMUJFWSA-N 1 2 379.258 1.674 20 30 GDEDLO N#Cc1c(Br)cccc1S(=O)(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000601970011 652612326 /nfs/dbraw/zinc/61/23/26/652612326.db2.gz WGXCWCKDSJTNKY-JTQLQIEISA-N 1 2 381.255 1.811 20 30 GDEDLO C#CCNC(=O)CN1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000782488062 654833389 /nfs/dbraw/zinc/83/33/89/654833389.db2.gz SRQHUKXIXCGYLU-UHFFFAOYSA-N 1 2 398.276 1.334 20 30 GDEDLO CC#CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787901447 654975259 /nfs/dbraw/zinc/97/52/59/654975259.db2.gz NZRRANYQQCHLCR-UHFFFAOYSA-N 1 2 393.285 1.279 20 30 GDEDLO C#CCNS(=O)(=O)N1CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000761029431 655131421 /nfs/dbraw/zinc/13/14/21/655131421.db2.gz PSQFPHJCPKZVFA-CYBMUJFWSA-N 1 2 375.416 1.852 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000764158123 655209506 /nfs/dbraw/zinc/20/95/06/655209506.db2.gz AMAWZUGSROYXPU-UHFFFAOYSA-N 1 2 383.279 1.473 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000764158123 655209507 /nfs/dbraw/zinc/20/95/07/655209507.db2.gz AMAWZUGSROYXPU-UHFFFAOYSA-N 1 2 383.279 1.473 20 30 GDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883113060 657272795 /nfs/dbraw/zinc/27/27/95/657272795.db2.gz HWBWKIYMPBFOGY-UHFFFAOYSA-N 1 2 382.262 1.948 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccc(Br)c(F)c1F ZINC000884435891 657356663 /nfs/dbraw/zinc/35/66/63/657356663.db2.gz NQKUGAJFGFBUQK-JTQLQIEISA-N 1 2 377.185 1.790 20 30 GDEDLO Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1snc(Cl)c1C#N ZINC001055064921 677679671 /nfs/dbraw/zinc/67/96/71/677679671.db2.gz YFTSFAMHOMVISU-ICCXJUOJSA-N 1 2 376.873 1.870 20 30 GDEDLO COCCN1CC[N@H+](C)C2(CCN(c3nc4c(cc3C#N)CCC4)CC2)C1=O ZINC001164644265 719280220 /nfs/dbraw/zinc/28/02/20/719280220.db2.gz GBTPJVNUIBTMBH-UHFFFAOYSA-N 1 2 383.496 1.201 20 30 GDEDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4c(cc3C#N)CCC4)CC2)C1=O ZINC001164644265 719280224 /nfs/dbraw/zinc/28/02/24/719280224.db2.gz GBTPJVNUIBTMBH-UHFFFAOYSA-N 1 2 383.496 1.201 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)ncc1C#N ZINC001164706146 719845593 /nfs/dbraw/zinc/84/55/93/719845593.db2.gz WJTXTRULPUIBGD-SUMWQHHRSA-N 1 2 379.848 1.234 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C#N)ccc1[N+](=O)[O-] ZINC001164703205 719853820 /nfs/dbraw/zinc/85/38/20/719853820.db2.gz PLHYDNMKMNONLK-RDTXWAMCSA-N 1 2 389.412 1.094 20 30 GDEDLO N#CCSCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000173864335 530639178 /nfs/dbraw/zinc/63/91/78/530639178.db2.gz CWQJIUKJFFOFDP-UHFFFAOYSA-N 1 2 375.466 1.918 20 30 GDEDLO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CO[NH+]=C(N)CN1CCOCC1 ZINC000177595363 530706027 /nfs/dbraw/zinc/70/60/27/530706027.db2.gz QNYTZLSXVMEBEL-UHFFFAOYSA-N 1 2 389.283 1.573 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1C(F)(F)F ZINC000177619736 530707111 /nfs/dbraw/zinc/70/71/11/530707111.db2.gz NIFRHULZPOQMDP-UHFFFAOYSA-N 1 2 377.388 1.578 20 30 GDEDLO CS(=O)(=O)N1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000127478066 531030644 /nfs/dbraw/zinc/03/06/44/531030644.db2.gz KXQOLSBHMACONB-UHFFFAOYSA-N 1 2 376.400 1.904 20 30 GDEDLO CS(=O)(=O)N1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000127478066 531030645 /nfs/dbraw/zinc/03/06/45/531030645.db2.gz KXQOLSBHMACONB-UHFFFAOYSA-N 1 2 376.400 1.904 20 30 GDEDLO CC(C)(C[NH+]1CCOCC1)NC(=O)COc1cccc(Br)c1C#N ZINC000413961813 531425862 /nfs/dbraw/zinc/42/58/62/531425862.db2.gz UGNHVIZPOQDZCP-UHFFFAOYSA-N 1 2 396.285 1.927 20 30 GDEDLO COc1cc(C#N)cc(Br)c1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000414121989 531431260 /nfs/dbraw/zinc/43/12/60/531431260.db2.gz FQRBVHWRIOEIFW-ZDUSSCGKSA-N 1 2 384.274 1.316 20 30 GDEDLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000267604633 531438802 /nfs/dbraw/zinc/43/88/02/531438802.db2.gz PZQATEHHDKUICN-GFCCVEGCSA-N 1 2 376.404 1.101 20 30 GDEDLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000267604633 531438805 /nfs/dbraw/zinc/43/88/05/531438805.db2.gz PZQATEHHDKUICN-GFCCVEGCSA-N 1 2 376.404 1.101 20 30 GDEDLO CCN(C(=O)CO[NH+]=C(N)Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000267889858 531459347 /nfs/dbraw/zinc/45/93/47/531459347.db2.gz SXWHGVILJJWYQW-AWEZNQCLSA-N 1 2 387.889 1.207 20 30 GDEDLO COc1nc(N2CC[NH+](Cc3ccnc(C#N)c3)CC2)ncc1Br ZINC000610994427 531521255 /nfs/dbraw/zinc/52/12/55/531521255.db2.gz HQTSNRNQCWXEKO-UHFFFAOYSA-N 1 2 389.257 1.837 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000614300985 531590892 /nfs/dbraw/zinc/59/08/92/531590892.db2.gz HBYMJWDIEDUSPU-UHFFFAOYSA-N 1 2 390.285 1.817 20 30 GDEDLO Cn1cc[nH+]c1[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(C)(C)CO ZINC000451729464 531673222 /nfs/dbraw/zinc/67/32/22/531673222.db2.gz KIXIXCLBSXTWKD-AWEZNQCLSA-N 1 2 382.873 1.983 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000619712237 531716563 /nfs/dbraw/zinc/71/65/63/531716563.db2.gz KUDZDJXQAHRSBQ-QMTHXVAHSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000619712237 531716570 /nfs/dbraw/zinc/71/65/70/531716570.db2.gz KUDZDJXQAHRSBQ-QMTHXVAHSA-N 1 2 377.388 1.574 20 30 GDEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000282512796 531764099 /nfs/dbraw/zinc/76/40/99/531764099.db2.gz ZUUOPHNQENODMI-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO CNS(=O)(=O)C[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000599693404 532035901 /nfs/dbraw/zinc/03/59/01/532035901.db2.gz PDQASEGNLNHHBS-ZDUSSCGKSA-N 1 2 384.527 1.436 20 30 GDEDLO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000599693404 532035906 /nfs/dbraw/zinc/03/59/06/532035906.db2.gz PDQASEGNLNHHBS-ZDUSSCGKSA-N 1 2 384.527 1.436 20 30 GDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000285225078 532051854 /nfs/dbraw/zinc/05/18/54/532051854.db2.gz QAVXRLZEQDVYBL-UHFFFAOYSA-N 1 2 375.809 1.717 20 30 GDEDLO Cn1[nH]c(C[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)nc1=O ZINC000329290661 532101838 /nfs/dbraw/zinc/10/18/38/532101838.db2.gz QOAVQKIKDYFINZ-UHFFFAOYSA-N 1 2 395.261 1.766 20 30 GDEDLO C=CCNC(=O)CNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273680688 532164509 /nfs/dbraw/zinc/16/45/09/532164509.db2.gz MEXPRKIRQGZWHR-UHFFFAOYSA-N 1 2 380.246 1.507 20 30 GDEDLO C=CC[N@@H+](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000275034514 532255350 /nfs/dbraw/zinc/25/53/50/532255350.db2.gz CZYHBLAYKLHWEI-UHFFFAOYSA-N 1 2 387.889 1.417 20 30 GDEDLO C=CC[N@H+](C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000275034514 532255354 /nfs/dbraw/zinc/25/53/54/532255354.db2.gz CZYHBLAYKLHWEI-UHFFFAOYSA-N 1 2 387.889 1.417 20 30 GDEDLO C[N@H+](CCn1cc(Br)cn1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000288953617 532312106 /nfs/dbraw/zinc/31/21/06/532312106.db2.gz XREITZAXQIXMLD-UHFFFAOYSA-N 1 2 397.298 1.923 20 30 GDEDLO C[N@@H+](CCn1cc(Br)cn1)CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000288953617 532312107 /nfs/dbraw/zinc/31/21/07/532312107.db2.gz XREITZAXQIXMLD-UHFFFAOYSA-N 1 2 397.298 1.923 20 30 GDEDLO Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000017843975 221384578 /nfs/dbraw/zinc/38/45/78/221384578.db2.gz YKOKPXCJIMBVMA-UHFFFAOYSA-N 1 2 398.488 1.472 20 30 GDEDLO C=C(C)COCCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819722173 606799470 /nfs/dbraw/zinc/79/94/70/606799470.db2.gz AOIBNIALBZBSQP-UHFFFAOYSA-N 1 2 385.472 1.287 20 30 GDEDLO N#Cc1cccc(C[N@H+]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@@H](O)C2)c1 ZINC000826386634 607958978 /nfs/dbraw/zinc/95/89/78/607958978.db2.gz MPVQEYKEJOFWJJ-FQEVSTJZSA-N 1 2 389.463 1.417 20 30 GDEDLO N#Cc1cccc(C[N@@H+]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@@H](O)C2)c1 ZINC000826386634 607958979 /nfs/dbraw/zinc/95/89/79/607958979.db2.gz MPVQEYKEJOFWJJ-FQEVSTJZSA-N 1 2 389.463 1.417 20 30 GDEDLO CCS[C@@H]1CCCC[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000329243183 645303966 /nfs/dbraw/zinc/30/39/66/645303966.db2.gz OWJIKOFIOHTWIU-CHWSQXEVSA-N 1 2 377.532 1.652 20 30 GDEDLO CCS[C@@H]1CCCC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 ZINC000329243183 645303970 /nfs/dbraw/zinc/30/39/70/645303970.db2.gz OWJIKOFIOHTWIU-CHWSQXEVSA-N 1 2 377.532 1.652 20 30 GDEDLO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)sc2S(N)(=O)=O)C1 ZINC000330454693 645359916 /nfs/dbraw/zinc/35/99/16/645359916.db2.gz MLHHZKHRJVRCEY-JTQLQIEISA-N 1 2 395.934 1.710 20 30 GDEDLO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)sc2S(N)(=O)=O)C1 ZINC000330454693 645359920 /nfs/dbraw/zinc/35/99/20/645359920.db2.gz MLHHZKHRJVRCEY-JTQLQIEISA-N 1 2 395.934 1.710 20 30 GDEDLO N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000499674489 648088353 /nfs/dbraw/zinc/08/83/53/648088353.db2.gz ZPEODKKTERDCNL-LBPRGKRZSA-N 1 2 388.225 1.587 20 30 GDEDLO O=S(=O)([C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000502312805 648162954 /nfs/dbraw/zinc/16/29/54/648162954.db2.gz LWKAHGOPKOUBMQ-SFHVURJKSA-N 1 2 382.913 1.818 20 30 GDEDLO O=S(=O)([C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000502312805 648162965 /nfs/dbraw/zinc/16/29/65/648162965.db2.gz LWKAHGOPKOUBMQ-SFHVURJKSA-N 1 2 382.913 1.818 20 30 GDEDLO C=C(Br)CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000774867597 654643794 /nfs/dbraw/zinc/64/37/94/654643794.db2.gz YTOWKUGBEJUHPE-OAHLLOKOSA-N 1 2 396.285 1.028 20 30 GDEDLO C=C(Br)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000774867597 654643797 /nfs/dbraw/zinc/64/37/97/654643797.db2.gz YTOWKUGBEJUHPE-OAHLLOKOSA-N 1 2 396.285 1.028 20 30 GDEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000747820117 654792308 /nfs/dbraw/zinc/79/23/08/654792308.db2.gz KCYJXGMBBTVJIS-UHFFFAOYSA-N 1 2 379.258 1.244 20 30 GDEDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)COc1cccc(Br)c1C#N ZINC000835267150 655094595 /nfs/dbraw/zinc/09/45/95/655094595.db2.gz QSLGLFUSNVPTKA-LBPRGKRZSA-N 1 2 383.242 1.963 20 30 GDEDLO Cn1cc(I)c(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000819353107 655390396 /nfs/dbraw/zinc/39/03/96/655390396.db2.gz ABQZOMLZDCHMGG-AWEZNQCLSA-N 1 2 382.205 1.720 20 30 GDEDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000846639972 655458049 /nfs/dbraw/zinc/45/80/49/655458049.db2.gz RSYOFCWMSNUVBQ-AWEZNQCLSA-N 1 2 391.225 1.418 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)OCC[N@@H+]2CCO[C@H](C)C2)s1 ZINC000873494176 656393142 /nfs/dbraw/zinc/39/31/42/656393142.db2.gz FJTPDIZYOHIZNE-CYBMUJFWSA-N 1 2 388.511 1.019 20 30 GDEDLO C=CCNS(=O)(=O)c1ccc(CC(=O)OCC[N@H+]2CCO[C@H](C)C2)s1 ZINC000873494176 656393146 /nfs/dbraw/zinc/39/31/46/656393146.db2.gz FJTPDIZYOHIZNE-CYBMUJFWSA-N 1 2 388.511 1.019 20 30 GDEDLO C#CC1(O)CC[NH+](CC(=O)Nc2ccc(I)cc2)CC1 ZINC000931145049 657073098 /nfs/dbraw/zinc/07/30/98/657073098.db2.gz BFUYWXUWRASUPB-UHFFFAOYSA-N 1 2 384.217 1.690 20 30 GDEDLO C[C@H]1C[N@H+](CCNC(=O)Nc2ccc(Br)c(C#N)n2)[C@@H](C)CO1 ZINC000883116915 657273304 /nfs/dbraw/zinc/27/33/04/657273304.db2.gz KEMDUHJCSUMFPC-QWRGUYRKSA-N 1 2 382.262 1.946 20 30 GDEDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2ccc(Br)c(C#N)n2)[C@@H](C)CO1 ZINC000883116915 657273307 /nfs/dbraw/zinc/27/33/07/657273307.db2.gz KEMDUHJCSUMFPC-QWRGUYRKSA-N 1 2 382.262 1.946 20 30 GDEDLO N#Cc1ccc(Cn2cc(C[NH+]3CCC(O)CC3)nn2)c(Br)c1 ZINC000883991617 657319068 /nfs/dbraw/zinc/31/90/68/657319068.db2.gz KOSPYZCNPTTWOI-UHFFFAOYSA-N 1 2 376.258 1.917 20 30 GDEDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000902937908 659284698 /nfs/dbraw/zinc/28/46/98/659284698.db2.gz ODOVLSWUWQWVNX-NSHDSACASA-N 1 2 382.262 1.948 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)c(F)cc1C#N ZINC001164702751 719839430 /nfs/dbraw/zinc/83/94/30/719839430.db2.gz PMYUJAFYCKEJCP-FZKQIMNGSA-N 1 2 396.850 1.978 20 30 GDEDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC001164716132 720216581 /nfs/dbraw/zinc/21/65/81/720216581.db2.gz ARZHZCWJAXFEQK-GOSISDBHSA-N 1 2 377.876 1.271 20 30 GDEDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C#N)cc3Cl)C2)C1 ZINC001164716132 720216590 /nfs/dbraw/zinc/21/65/90/720216590.db2.gz ARZHZCWJAXFEQK-GOSISDBHSA-N 1 2 377.876 1.271 20 30 GDEDLO Cc1cc(C#N)cc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)n1 ZINC001164834814 720478652 /nfs/dbraw/zinc/47/86/52/720478652.db2.gz VIGBIYLZKHOSBJ-SFHVURJKSA-N 1 2 396.495 1.448 20 30 GDEDLO C=C[C@@H](CC)CC(=O)NC1(CCO)C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573315019 947243792 /nfs/dbraw/zinc/24/37/92/947243792.db2.gz JIJRBANJSSVHKV-HNNXBMFYSA-N 1 2 384.484 1.522 20 30 GDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1OC ZINC001573320379 947347421 /nfs/dbraw/zinc/34/74/21/947347421.db2.gz XGIKDXCHSIRNLY-ZIAGYGMSSA-N 1 2 390.513 1.846 20 30 GDEDLO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1OC ZINC001573320379 947347431 /nfs/dbraw/zinc/34/74/31/947347431.db2.gz XGIKDXCHSIRNLY-ZIAGYGMSSA-N 1 2 390.513 1.846 20 30 GDEDLO C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@@H+]1Cc1ccccc1C#N ZINC001575883169 949805223 /nfs/dbraw/zinc/80/52/23/949805223.db2.gz CWWQGXFFGDDVRK-GUYCJALGSA-N 1 2 390.451 1.849 20 30 GDEDLO C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC[N@H+]1Cc1ccccc1C#N ZINC001575883169 949805244 /nfs/dbraw/zinc/80/52/44/949805244.db2.gz CWWQGXFFGDDVRK-GUYCJALGSA-N 1 2 390.451 1.849 20 30 GDEDLO CN(Cc1ccc(Cl)s1)C(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000159808473 530546558 /nfs/dbraw/zinc/54/65/58/530546558.db2.gz ZPUAJKHLFYUZCX-UHFFFAOYSA-N 1 2 384.933 1.908 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)N2CC[NH+](CCCO)CC2)cc1C(F)(F)F ZINC000182442871 530800107 /nfs/dbraw/zinc/80/01/07/530800107.db2.gz SGQXITCXHUSAFB-UHFFFAOYSA-N 1 2 377.388 1.266 20 30 GDEDLO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000184639907 530830184 /nfs/dbraw/zinc/83/01/84/530830184.db2.gz AGYIBMOBEVEILW-HNNXBMFYSA-N 1 2 383.901 1.945 20 30 GDEDLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000185937502 530849201 /nfs/dbraw/zinc/84/92/01/530849201.db2.gz XAMVZMMABGQSJV-UHFFFAOYSA-N 1 2 384.933 1.906 20 30 GDEDLO CN1CC[NH+](CCC(C)(C)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000185433974 530841961 /nfs/dbraw/zinc/84/19/61/530841961.db2.gz BBHIZPQRVZDXTE-UHFFFAOYSA-N 1 2 384.933 1.906 20 30 GDEDLO C[C@@H](O[NH+]=C(N)CCO)C(=O)Nc1ccc(I)cc1 ZINC000121394464 530955734 /nfs/dbraw/zinc/95/57/34/530955734.db2.gz LJVDIJSTZMNQKU-MRVPVSSYSA-N 1 2 377.182 1.289 20 30 GDEDLO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ncc(Br)cn1 ZINC000432999718 531215023 /nfs/dbraw/zinc/21/50/23/531215023.db2.gz MRUKHVSLMGSPSW-SNVBAGLBSA-N 1 2 396.270 1.630 20 30 GDEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2C[N@H+](C)CCO2)nc1C ZINC000266136012 531315755 /nfs/dbraw/zinc/31/57/55/531315755.db2.gz PNKPMCOGBMFOGQ-JTQLQIEISA-N 1 2 380.499 1.454 20 30 GDEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)nc1C ZINC000266136012 531315758 /nfs/dbraw/zinc/31/57/58/531315758.db2.gz PNKPMCOGBMFOGQ-JTQLQIEISA-N 1 2 380.499 1.454 20 30 GDEDLO C[C@@H](C#N)S(=O)(=O)N1CCCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000416379793 531588301 /nfs/dbraw/zinc/58/83/01/531588301.db2.gz AGUAFPDHAXONKI-ZDUSSCGKSA-N 1 2 381.889 1.737 20 30 GDEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000452103953 531764377 /nfs/dbraw/zinc/76/43/77/531764377.db2.gz LEOROQKSFQXVNK-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000452103953 531764378 /nfs/dbraw/zinc/76/43/78/531764378.db2.gz LEOROQKSFQXVNK-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C[C@@H](C)O1 ZINC000329505941 532104950 /nfs/dbraw/zinc/10/49/50/532104950.db2.gz WSQVCTGEUNDFQX-KFWWJZLASA-N 1 2 375.535 1.203 20 30 GDEDLO Cc1c(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C)ccc(Br)c1C#N ZINC000425768436 532151495 /nfs/dbraw/zinc/15/14/95/532151495.db2.gz MCPLQOCYKZRSPY-SNVBAGLBSA-N 1 2 379.258 1.730 20 30 GDEDLO Cc1c(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C)ccc(Br)c1C#N ZINC000425768436 532151498 /nfs/dbraw/zinc/15/14/98/532151498.db2.gz MCPLQOCYKZRSPY-SNVBAGLBSA-N 1 2 379.258 1.730 20 30 GDEDLO C[N@H+](CCn1cc(Br)cn1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000288646446 532301272 /nfs/dbraw/zinc/30/12/72/532301272.db2.gz AYNOJPRMILCFBT-UHFFFAOYSA-N 1 2 398.286 1.318 20 30 GDEDLO C[N@@H+](CCn1cc(Br)cn1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000288646446 532301275 /nfs/dbraw/zinc/30/12/75/532301275.db2.gz AYNOJPRMILCFBT-UHFFFAOYSA-N 1 2 398.286 1.318 20 30 GDEDLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000289011814 532313594 /nfs/dbraw/zinc/31/35/94/532313594.db2.gz ZWAGQVQTQOFVQR-UHFFFAOYSA-N 1 2 395.257 1.050 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)nc1 ZINC000289390846 532322960 /nfs/dbraw/zinc/32/29/60/532322960.db2.gz JZYOJEUYJHSQMA-AWEZNQCLSA-N 1 2 377.388 1.506 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)nc1 ZINC000289390846 532322961 /nfs/dbraw/zinc/32/29/61/532322961.db2.gz JZYOJEUYJHSQMA-AWEZNQCLSA-N 1 2 377.388 1.506 20 30 GDEDLO COc1ccc(C(N)=[NH+]O[C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737073577 598832487 /nfs/dbraw/zinc/83/24/87/598832487.db2.gz FDNUUFSCZAZJOM-LLVKDONJSA-N 1 2 381.396 1.539 20 30 GDEDLO COc1ccc(C#N)cc1C[NH+]1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 ZINC000826186976 607518016 /nfs/dbraw/zinc/51/80/16/607518016.db2.gz SWQYEJTVLDBSAC-UHFFFAOYSA-N 1 2 376.424 1.464 20 30 GDEDLO C[C@@H]1C[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)CCN1Cc1ccnc(C#N)c1 ZINC000824991468 607520490 /nfs/dbraw/zinc/52/04/90/607520490.db2.gz BJYUUGNYTJCTTD-CQSZACIVSA-N 1 2 375.440 1.235 20 30 GDEDLO C[C@@H]1C[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)CCN1Cc1ccnc(C#N)c1 ZINC000824991468 607520491 /nfs/dbraw/zinc/52/04/91/607520491.db2.gz BJYUUGNYTJCTTD-CQSZACIVSA-N 1 2 375.440 1.235 20 30 GDEDLO N#Cc1csc(C[NH+]2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1 ZINC000826387626 608591414 /nfs/dbraw/zinc/59/14/14/608591414.db2.gz HANVYQUEPFGSRH-UHFFFAOYSA-N 1 2 382.453 1.987 20 30 GDEDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@H]1COCCN1CC(F)F ZINC000329235102 645303531 /nfs/dbraw/zinc/30/35/31/645303531.db2.gz IHCJMDOVCHKJOE-CZUORRHYSA-N 1 2 379.473 1.117 20 30 GDEDLO N#Cc1ccc(OC[C@H](O)C[NH+]2CCOCC2)c(I)c1 ZINC000513212656 648425753 /nfs/dbraw/zinc/42/57/53/648425753.db2.gz OSLJVVFYLNZBTL-GFCCVEGCSA-N 1 2 388.205 1.235 20 30 GDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000516881959 648541195 /nfs/dbraw/zinc/54/11/95/648541195.db2.gz RWZXSLYGTDOJNP-CYBMUJFWSA-N 1 2 395.301 1.971 20 30 GDEDLO C#CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000747823074 654792239 /nfs/dbraw/zinc/79/22/39/654792239.db2.gz IVQWNIMGIMQEFE-UHFFFAOYSA-N 1 2 396.260 1.988 20 30 GDEDLO NC(=[NH+]OCC(=O)N1CCOC[C@H]1C1CC1)c1ccc(Br)cc1 ZINC000782948259 654849080 /nfs/dbraw/zinc/84/90/80/654849080.db2.gz IZJKDQHMVZJWBK-AWEZNQCLSA-N 1 2 382.258 1.723 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000791350899 655069490 /nfs/dbraw/zinc/06/94/90/655069490.db2.gz CHXTZBKVAIGAMV-UHFFFAOYSA-N 1 2 383.279 1.473 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000791350899 655069492 /nfs/dbraw/zinc/06/94/92/655069492.db2.gz CHXTZBKVAIGAMV-UHFFFAOYSA-N 1 2 383.279 1.473 20 30 GDEDLO C[C@H](C[NH+]1CCOCC1)OC(=O)COc1ccc(C#N)c(Br)c1 ZINC000835267131 655094675 /nfs/dbraw/zinc/09/46/75/655094675.db2.gz QFDMJILSDBRGBI-GFCCVEGCSA-N 1 2 383.242 1.963 20 30 GDEDLO C=C(Br)COC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000767536617 655297152 /nfs/dbraw/zinc/29/71/52/655297152.db2.gz IKMNQYBUIXBFBV-UHFFFAOYSA-N 1 2 382.258 1.962 20 30 GDEDLO CC#CC[NH2+]Cc1cn(Cc2cc(Br)ccc2C(=O)OC)nn1 ZINC000881340351 656928614 /nfs/dbraw/zinc/92/86/14/656928614.db2.gz TXWKVNNUSUASIV-UHFFFAOYSA-N 1 2 377.242 1.988 20 30 GDEDLO NS(=O)(=O)CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932940143 657231172 /nfs/dbraw/zinc/23/11/72/657231172.db2.gz NQPKEAUSCQDIDD-WDSKDSINSA-N 1 2 376.269 1.378 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(I)c(C)n1 ZINC000884292394 657343382 /nfs/dbraw/zinc/34/33/82/657343382.db2.gz YFQYEVLECIGOJN-JTQLQIEISA-N 1 2 389.193 1.380 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000884410021 657354097 /nfs/dbraw/zinc/35/40/97/657354097.db2.gz YJFPDRXGBXBSQW-LSDHHAIUSA-N 1 2 397.269 1.796 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc2[nH]c(C#N)cc2n1 ZINC001164708090 719866511 /nfs/dbraw/zinc/86/65/11/719866511.db2.gz XQACGWLQBNDTOK-MGPUTAFESA-N 1 2 383.452 1.667 20 30 GDEDLO N#Cc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C#N)c1 ZINC001164910759 721776048 /nfs/dbraw/zinc/77/60/48/721776048.db2.gz CDZWVWWMAKGGII-NRFANRHFSA-N 1 2 390.447 1.328 20 30 GDEDLO N#Cc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C#N)c1 ZINC001164910759 721776055 /nfs/dbraw/zinc/77/60/55/721776055.db2.gz CDZWVWWMAKGGII-NRFANRHFSA-N 1 2 390.447 1.328 20 30 GDEDLO Cc1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C#N ZINC001164916981 721780969 /nfs/dbraw/zinc/78/09/69/721780969.db2.gz UMDOIJGUCNJMJM-OAQYLSRUSA-N 1 2 379.464 1.765 20 30 GDEDLO Cc1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C#N ZINC001164916981 721780974 /nfs/dbraw/zinc/78/09/74/721780974.db2.gz UMDOIJGUCNJMJM-OAQYLSRUSA-N 1 2 379.464 1.765 20 30 GDEDLO Cc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cnc1C#N ZINC001164914918 721791692 /nfs/dbraw/zinc/79/16/92/721791692.db2.gz HVLWLJHXEDYRKU-FQEVSTJZSA-N 1 2 380.452 1.160 20 30 GDEDLO Cc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cnc1C#N ZINC001164914918 721791694 /nfs/dbraw/zinc/79/16/94/721791694.db2.gz HVLWLJHXEDYRKU-FQEVSTJZSA-N 1 2 380.452 1.160 20 30 GDEDLO C=CC(C)(C)CC(=O)NC1(CCO)C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573304537 947138622 /nfs/dbraw/zinc/13/86/22/947138622.db2.gz BDQWJRHSSCOYCG-UHFFFAOYSA-N 1 2 384.484 1.522 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)C(=O)COc1ccc(Br)cc1 ZINC000060634041 530737390 /nfs/dbraw/zinc/73/73/90/530737390.db2.gz ALLWHGQJJVGMAR-UHFFFAOYSA-N 1 2 396.285 1.902 20 30 GDEDLO COc1nc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)ncc1Br ZINC000191321206 530946957 /nfs/dbraw/zinc/94/69/57/530946957.db2.gz JCFCCTVIGPZPOG-UHFFFAOYSA-N 1 2 391.273 1.780 20 30 GDEDLO C=CCN(Cc1cc(Br)ccc1F)C(=O)CN1CC[NH2+]CC1=O ZINC000237723051 531049475 /nfs/dbraw/zinc/04/94/75/531049475.db2.gz XWHLESNSTJDQJH-UHFFFAOYSA-N 1 2 384.249 1.535 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000245524212 531057439 /nfs/dbraw/zinc/05/74/39/531057439.db2.gz AGPQHUPDPIATTR-ZBFHGGJFSA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000245524212 531057443 /nfs/dbraw/zinc/05/74/43/531057443.db2.gz AGPQHUPDPIATTR-ZBFHGGJFSA-N 1 2 385.555 1.665 20 30 GDEDLO N#Cc1csc(C[NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1 ZINC000131958414 531076936 /nfs/dbraw/zinc/07/69/36/531076936.db2.gz VOJXIXQIKOQICQ-UHFFFAOYSA-N 1 2 382.433 1.570 20 30 GDEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000264227074 531174512 /nfs/dbraw/zinc/17/45/12/531174512.db2.gz ZRHWYEOGDCJFLV-UHFFFAOYSA-N 1 2 382.291 1.820 20 30 GDEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000264227074 531174515 /nfs/dbraw/zinc/17/45/15/531174515.db2.gz ZRHWYEOGDCJFLV-UHFFFAOYSA-N 1 2 382.291 1.820 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCSCC2)cc1Br ZINC000432994102 531215355 /nfs/dbraw/zinc/21/53/55/531215355.db2.gz FOBHGSRYRUSDBN-UHFFFAOYSA-N 1 2 390.328 1.648 20 30 GDEDLO C[N@H+](CCC#N)C[C@H](O)COc1ccc(C#N)cc1I ZINC000414130705 531432387 /nfs/dbraw/zinc/43/23/87/531432387.db2.gz XOZAWQXMCBQPKM-LBPRGKRZSA-N 1 2 385.205 1.748 20 30 GDEDLO C[N@@H+](CCC#N)C[C@H](O)COc1ccc(C#N)cc1I ZINC000414130705 531432395 /nfs/dbraw/zinc/43/23/95/531432395.db2.gz XOZAWQXMCBQPKM-LBPRGKRZSA-N 1 2 385.205 1.748 20 30 GDEDLO C#CC[N@@H+](CC(=O)NCC(=O)OC)[C@H]1CCOc2ccc(Br)cc21 ZINC000362984576 531467256 /nfs/dbraw/zinc/46/72/56/531467256.db2.gz SDVLOWLKOQCYAZ-AWEZNQCLSA-N 1 2 395.253 1.497 20 30 GDEDLO C#CC[N@H+](CC(=O)NCC(=O)OC)[C@H]1CCOc2ccc(Br)cc21 ZINC000362984576 531467263 /nfs/dbraw/zinc/46/72/63/531467263.db2.gz SDVLOWLKOQCYAZ-AWEZNQCLSA-N 1 2 395.253 1.497 20 30 GDEDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000450233493 531490441 /nfs/dbraw/zinc/49/04/41/531490441.db2.gz OSYZNAKIGWRXBA-NSHDSACASA-N 1 2 378.274 1.505 20 30 GDEDLO Cn1cc[nH+]c1[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(C)(C)CO ZINC000295677619 531611110 /nfs/dbraw/zinc/61/11/10/531611110.db2.gz HQPVKPCHTKSEAS-CQSZACIVSA-N 1 2 382.873 1.983 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494698746 531618743 /nfs/dbraw/zinc/61/87/43/531618743.db2.gz KQADWUHMDLUZHD-CQSZACIVSA-N 1 2 383.539 1.917 20 30 GDEDLO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494698746 531618752 /nfs/dbraw/zinc/61/87/52/531618752.db2.gz KQADWUHMDLUZHD-CQSZACIVSA-N 1 2 383.539 1.917 20 30 GDEDLO N#Cc1sccc1S(=O)(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000593529549 531838446 /nfs/dbraw/zinc/83/84/46/531838446.db2.gz AXQJZAJQAIPGJP-UHFFFAOYSA-N 1 2 376.507 1.720 20 30 GDEDLO CNC(=O)NC1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000328668481 532090091 /nfs/dbraw/zinc/09/00/91/532090091.db2.gz FDBWNPALSOBHPV-OAHLLOKOSA-N 1 2 395.301 1.930 20 30 GDEDLO COc1ccc(Br)cc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329958434 532111288 /nfs/dbraw/zinc/11/12/88/532111288.db2.gz QQUWKAVOLYQSBS-HIFRSBDPSA-N 1 2 384.274 1.887 20 30 GDEDLO COc1ccc(Br)cc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329958434 532111290 /nfs/dbraw/zinc/11/12/90/532111290.db2.gz QQUWKAVOLYQSBS-HIFRSBDPSA-N 1 2 384.274 1.887 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286667005 532167532 /nfs/dbraw/zinc/16/75/32/532167532.db2.gz UWYNYDYSOJOZJP-UKRRQHHQSA-N 1 2 376.400 1.825 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000286667005 532167533 /nfs/dbraw/zinc/16/75/33/532167533.db2.gz UWYNYDYSOJOZJP-UKRRQHHQSA-N 1 2 376.400 1.825 20 30 GDEDLO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000823850528 607923907 /nfs/dbraw/zinc/92/39/07/607923907.db2.gz QNMPMOQPVYHILS-CQSZACIVSA-N 1 2 384.440 1.158 20 30 GDEDLO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000823850528 607923908 /nfs/dbraw/zinc/92/39/08/607923908.db2.gz QNMPMOQPVYHILS-CQSZACIVSA-N 1 2 384.440 1.158 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000510687924 648336184 /nfs/dbraw/zinc/33/61/84/648336184.db2.gz TUYXCCKJBBCJJY-NWDGAFQWSA-N 1 2 384.889 1.539 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000510687924 648336189 /nfs/dbraw/zinc/33/61/89/648336189.db2.gz TUYXCCKJBBCJJY-NWDGAFQWSA-N 1 2 384.889 1.539 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000510687927 648336261 /nfs/dbraw/zinc/33/62/61/648336261.db2.gz TUYXCCKJBBCJJY-RYUDHWBXSA-N 1 2 384.889 1.539 20 30 GDEDLO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000510687927 648336267 /nfs/dbraw/zinc/33/62/67/648336267.db2.gz TUYXCCKJBBCJJY-RYUDHWBXSA-N 1 2 384.889 1.539 20 30 GDEDLO C[C@@H](CC#N)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000602862938 652650417 /nfs/dbraw/zinc/65/04/17/652650417.db2.gz KZIFBYQRHBILOH-NSHDSACASA-N 1 2 390.918 1.126 20 30 GDEDLO NC(=[NH+]OCC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(Br)cc1 ZINC000782948261 654849093 /nfs/dbraw/zinc/84/90/93/654849093.db2.gz IZJKDQHMVZJWBK-CQSZACIVSA-N 1 2 382.258 1.723 20 30 GDEDLO C#C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Br)c1 ZINC000787897690 654974943 /nfs/dbraw/zinc/97/49/43/654974943.db2.gz DXJLTDBAFKYDLT-LBPRGKRZSA-N 1 2 393.285 1.277 20 30 GDEDLO C[NH+]1CCC(C#N)(NC(=O)c2cccc(I)c2O)CC1 ZINC000755290754 654989375 /nfs/dbraw/zinc/98/93/75/654989375.db2.gz VWDLXTZIENMFAO-UHFFFAOYSA-N 1 2 385.205 1.715 20 30 GDEDLO C[C@@H]1C[N@H+](CCOC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000838225782 655207914 /nfs/dbraw/zinc/20/79/14/655207914.db2.gz RSTNEAIYEXYHAD-GFCCVEGCSA-N 1 2 383.242 1.963 20 30 GDEDLO C[C@@H]1C[N@@H+](CCOC(=O)COc2ccc(C#N)c(Br)c2)CCO1 ZINC000838225782 655207917 /nfs/dbraw/zinc/20/79/17/655207917.db2.gz RSTNEAIYEXYHAD-GFCCVEGCSA-N 1 2 383.242 1.963 20 30 GDEDLO C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000850359443 655552903 /nfs/dbraw/zinc/55/29/03/655552903.db2.gz HZKZAKQHCDMUGA-ZFWWWQNUSA-N 1 2 388.283 1.363 20 30 GDEDLO N#CC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000929842542 656987852 /nfs/dbraw/zinc/98/78/52/656987852.db2.gz AWKKWKNROSUYHV-OAHLLOKOSA-N 1 2 381.274 1.280 20 30 GDEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000884211558 657335399 /nfs/dbraw/zinc/33/53/99/657335399.db2.gz HXXPPOYUJHBJSV-ZFWWWQNUSA-N 1 2 396.285 1.591 20 30 GDEDLO C=C(Br)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](OC)C1 ZINC001082148652 677680791 /nfs/dbraw/zinc/68/07/91/677680791.db2.gz JCDCVRMJBVKBGQ-RGCMKSIDSA-N 1 2 383.290 1.248 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(Cl)cc1C#N ZINC001164701742 719863637 /nfs/dbraw/zinc/86/36/37/719863637.db2.gz HGXZLJVMLYOVJW-MAUKXSAKSA-N 1 2 378.860 1.839 20 30 GDEDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2c(cc1C#N)CCC2 ZINC001164707440 719868228 /nfs/dbraw/zinc/86/82/28/719868228.db2.gz SPCORICBZJZLEM-LAUBAEHRSA-N 1 2 384.480 1.675 20 30 GDEDLO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000823914179 946515832 /nfs/dbraw/zinc/51/58/32/946515832.db2.gz CHYGOAQHWYLNHV-QGZVFWFLSA-N 1 2 392.467 1.562 20 30 GDEDLO C=CCN(C)C(=O)c1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1Cl ZINC000161494803 530561133 /nfs/dbraw/zinc/56/11/33/530561133.db2.gz AEYZHNNHSPBOJB-UHFFFAOYSA-N 1 2 385.917 1.924 20 30 GDEDLO C=CCNC(=O)C[NH+]1CCN(Cc2ccc(OC)c(Br)c2)CC1 ZINC000023265683 530574623 /nfs/dbraw/zinc/57/46/23/530574623.db2.gz RDSGTJOHMPGOIY-UHFFFAOYSA-N 1 2 382.302 1.878 20 30 GDEDLO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000042146452 530627099 /nfs/dbraw/zinc/62/70/99/530627099.db2.gz YTDSNTSZUAXJSC-GFCCVEGCSA-N 1 2 396.289 1.366 20 30 GDEDLO Cc1nc(N2CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC2)cc[nH+]1 ZINC000185835641 530847678 /nfs/dbraw/zinc/84/76/78/530847678.db2.gz QLVFQVLAWKSIBX-UHFFFAOYSA-N 1 2 377.857 1.821 20 30 GDEDLO CNS(=O)(=O)NC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000439011730 531313766 /nfs/dbraw/zinc/31/37/66/531313766.db2.gz VOAKCNUQNLAZDD-UHFFFAOYSA-N 1 2 375.416 1.575 20 30 GDEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2C[N@H+](C)CCO2)nc1C ZINC000266136014 531315382 /nfs/dbraw/zinc/31/53/82/531315382.db2.gz PNKPMCOGBMFOGQ-SNVBAGLBSA-N 1 2 380.499 1.454 20 30 GDEDLO C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2C[N@@H+](C)CCO2)nc1C ZINC000266136014 531315386 /nfs/dbraw/zinc/31/53/86/531315386.db2.gz PNKPMCOGBMFOGQ-SNVBAGLBSA-N 1 2 380.499 1.454 20 30 GDEDLO N#Cc1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)ccc1Br ZINC000293168636 531406155 /nfs/dbraw/zinc/40/61/55/531406155.db2.gz UFZPKQTYLUAEOH-UHFFFAOYSA-N 1 2 377.242 1.566 20 30 GDEDLO CCN(C(=O)CO[NH+]=C(N)Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000267850334 531457184 /nfs/dbraw/zinc/45/71/84/531457184.db2.gz BRSAYGOHTHABNS-ZDUSSCGKSA-N 1 2 387.889 1.207 20 30 GDEDLO N#Cc1ccc(CS(=O)(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cc1 ZINC000363181314 531474952 /nfs/dbraw/zinc/47/49/52/531474952.db2.gz WJAURBPKNXKCSN-QGZVFWFLSA-N 1 2 381.523 1.186 20 30 GDEDLO C=C(C)CN(CC)S(=O)(=O)CCCCS(=O)(=O)Nc1cc[nH+]cc1 ZINC000294491511 531482133 /nfs/dbraw/zinc/48/21/33/531482133.db2.gz AOAVFXAGTQQILS-UHFFFAOYSA-N 1 2 375.516 1.831 20 30 GDEDLO C[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000451303205 531585878 /nfs/dbraw/zinc/58/58/78/531585878.db2.gz QKUIQFCXJRJDJI-CZUORRHYSA-N 1 2 383.901 1.747 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000451439497 531616045 /nfs/dbraw/zinc/61/60/45/531616045.db2.gz UGJSDUMNFMWTAV-ZDUSSCGKSA-N 1 2 385.917 1.872 20 30 GDEDLO C[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@H+]1CC(C)(C)O ZINC000451439497 531616049 /nfs/dbraw/zinc/61/60/49/531616049.db2.gz UGJSDUMNFMWTAV-ZDUSSCGKSA-N 1 2 385.917 1.872 20 30 GDEDLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593559877 531845016 /nfs/dbraw/zinc/84/50/16/531845016.db2.gz ZVRDWKCCJJFYQW-AWEZNQCLSA-N 1 2 391.225 1.487 20 30 GDEDLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(Br)cc1C#N ZINC000593559877 531845025 /nfs/dbraw/zinc/84/50/25/531845025.db2.gz ZVRDWKCCJJFYQW-AWEZNQCLSA-N 1 2 391.225 1.487 20 30 GDEDLO N#Cc1nc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)sc1Cl ZINC000596097712 531908242 /nfs/dbraw/zinc/90/82/42/531908242.db2.gz JNTIGPLCPOQMHZ-UHFFFAOYSA-N 1 2 376.873 2.214 20 30 GDEDLO CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000298707159 531912457 /nfs/dbraw/zinc/91/24/57/531912457.db2.gz AABFAJOLVXJYJB-LBPRGKRZSA-N 1 2 384.889 1.411 20 30 GDEDLO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000298707159 531912465 /nfs/dbraw/zinc/91/24/65/531912465.db2.gz AABFAJOLVXJYJB-LBPRGKRZSA-N 1 2 384.889 1.411 20 30 GDEDLO C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1 ZINC000678049908 531918297 /nfs/dbraw/zinc/91/82/97/531918297.db2.gz QJQQRKVJKZOLGT-MRXNPFEDSA-N 1 2 383.286 1.909 20 30 GDEDLO CNC(=O)c1cccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1Br ZINC000329803216 532109172 /nfs/dbraw/zinc/10/91/72/532109172.db2.gz ZODQJZFWYCYYIK-QWHCGFSZSA-N 1 2 397.273 1.944 20 30 GDEDLO CNC(=O)c1cccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1Br ZINC000329803216 532109176 /nfs/dbraw/zinc/10/91/76/532109176.db2.gz ZODQJZFWYCYYIK-QWHCGFSZSA-N 1 2 397.273 1.944 20 30 GDEDLO C[N@@H+]1CCO[C@@H]2CN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)C[C@@H]21 ZINC000330353237 532120171 /nfs/dbraw/zinc/12/01/71/532120171.db2.gz OFLXEKJLPFGESR-LSDHHAIUSA-N 1 2 387.889 1.346 20 30 GDEDLO C[N@H+]1CCO[C@@H]2CN(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)C[C@@H]21 ZINC000330353237 532120175 /nfs/dbraw/zinc/12/01/75/532120175.db2.gz OFLXEKJLPFGESR-LSDHHAIUSA-N 1 2 387.889 1.346 20 30 GDEDLO C#CCC[NH+]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000286812595 532178115 /nfs/dbraw/zinc/17/81/15/532178115.db2.gz ZRAMDMXJRVVTFO-UHFFFAOYSA-N 1 2 382.283 1.650 20 30 GDEDLO C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)C1CCS(=O)(=O)CC1)C(C)C ZINC000275596020 532301745 /nfs/dbraw/zinc/30/17/45/532301745.db2.gz FHBYSNGDJOHQEO-MRXNPFEDSA-N 1 2 378.560 1.182 20 30 GDEDLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000275682409 532305752 /nfs/dbraw/zinc/30/57/52/532305752.db2.gz PMORXRFXWJEYIH-LLVKDONJSA-N 1 2 377.388 1.264 20 30 GDEDLO C=CCCS(=O)(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000819740154 607003191 /nfs/dbraw/zinc/00/31/91/607003191.db2.gz RJTQGOLGPJIFJF-UHFFFAOYSA-N 1 2 399.480 1.443 20 30 GDEDLO Cc1cc(C)n(N=Cc2ccc(N3CC[NH+](C)CC3)cc2)c(=O)c1-c1nn[nH]n1 ZINC000826265599 608218778 /nfs/dbraw/zinc/21/87/78/608218778.db2.gz GPPJKUKUBBTENW-UHFFFAOYSA-N 1 2 392.467 1.279 20 30 GDEDLO N#Cc1c(Br)cccc1OCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000590677675 652139395 /nfs/dbraw/zinc/13/93/95/652139395.db2.gz ZBBUPXQCDXDUHK-ZDUSSCGKSA-N 1 2 394.269 1.633 20 30 GDEDLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc(C#N)c(Br)cn1 ZINC000603414359 652713260 /nfs/dbraw/zinc/71/32/60/652713260.db2.gz YNIAFZSOXFRHRF-MRXNPFEDSA-N 1 2 381.274 1.743 20 30 GDEDLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc(C#N)c(Br)cn1 ZINC000603414359 652713264 /nfs/dbraw/zinc/71/32/64/652713264.db2.gz YNIAFZSOXFRHRF-MRXNPFEDSA-N 1 2 381.274 1.743 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](CC[S@](C)=O)CC1 ZINC000755960383 655006252 /nfs/dbraw/zinc/00/62/52/655006252.db2.gz YIBSAADGOXWUKW-LMKMVOKYSA-N 1 2 383.583 1.647 20 30 GDEDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)COc1cccc(Br)c1C#N ZINC000928644957 656919593 /nfs/dbraw/zinc/91/95/93/656919593.db2.gz BXDZWISZNVVCJM-CYBMUJFWSA-N 1 2 396.285 1.927 20 30 GDEDLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000929631565 656976771 /nfs/dbraw/zinc/97/67/71/656976771.db2.gz IENNTSUQCQOVPE-UHFFFAOYSA-N 1 2 376.404 1.742 20 30 GDEDLO C[C@@H](NC(=O)Nc1ccc(Br)c(C#N)n1)[C@@H](C)[NH+]1CCOCC1 ZINC000883087461 657269161 /nfs/dbraw/zinc/26/91/61/657269161.db2.gz XUFTYYLWLORRFZ-GHMZBOCLSA-N 1 2 382.262 1.946 20 30 GDEDLO N#Cc1nc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000883099115 657270786 /nfs/dbraw/zinc/27/07/86/657270786.db2.gz JZHVDSCRKDOJBB-NSHDSACASA-N 1 2 380.246 1.654 20 30 GDEDLO Cn1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c(Br)n1 ZINC000905519802 659461035 /nfs/dbraw/zinc/46/10/35/659461035.db2.gz GTRAPOQJDSHCTA-UHFFFAOYSA-N 1 2 383.271 1.618 20 30 GDEDLO Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(Cl)c1C#N ZINC001055364314 677680011 /nfs/dbraw/zinc/68/00/11/677680011.db2.gz YFTSFAMHOMVISU-WQAKAFBOSA-N 1 2 376.873 1.870 20 30 GDEDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(Cl)cc1C#N ZINC001164707095 719846276 /nfs/dbraw/zinc/84/62/76/719846276.db2.gz ZHEZJUGMUXTZLJ-DYVFJYSZSA-N 1 2 379.848 1.234 20 30 GDEDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(C#N)n4)CC3)C2=O)cs1 ZINC001164825513 720363719 /nfs/dbraw/zinc/36/37/19/720363719.db2.gz QBILHSIUEVUVAX-UHFFFAOYSA-N 1 2 397.508 1.426 20 30 GDEDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(C#N)n4)CC3)C2=O)cs1 ZINC001164825513 720363726 /nfs/dbraw/zinc/36/37/26/720363726.db2.gz QBILHSIUEVUVAX-UHFFFAOYSA-N 1 2 397.508 1.426 20 30 GDEDLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncccc1C#N)C2 ZINC001164826238 720432371 /nfs/dbraw/zinc/43/23/71/720432371.db2.gz OXCAQDBTACVESL-KRWDZBQOSA-N 1 2 382.468 1.139 20 30 GDEDLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(CC#N)ccn1)C2 ZINC001164829905 720463835 /nfs/dbraw/zinc/46/38/35/720463835.db2.gz HOYCUMHUBAYSPJ-GOSISDBHSA-N 1 2 396.495 1.334 20 30 GDEDLO N#CCc1cncc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164916061 721791632 /nfs/dbraw/zinc/79/16/32/721791632.db2.gz OOVPUHFKFIPXMC-HXUWFJFHSA-N 1 2 380.452 1.045 20 30 GDEDLO N#CCc1cncc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164916061 721791638 /nfs/dbraw/zinc/79/16/38/721791638.db2.gz OOVPUHFKFIPXMC-HXUWFJFHSA-N 1 2 380.452 1.045 20 30 GDEDLO N#CCCN(CC[NH+]1CCOCC1)Cc1cn2ccccc2c1-c1nn[nH]n1 ZINC000822811036 946194990 /nfs/dbraw/zinc/19/49/90/946194990.db2.gz RHWIAFZWFWRQRF-UHFFFAOYSA-N 1 2 380.456 1.167 20 30 GDEDLO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2ncc(-c3nn[nH]n3)c2[nH]1 ZINC001573282690 946695134 /nfs/dbraw/zinc/69/51/34/946695134.db2.gz LOIIXIVDNYCEHH-UHFFFAOYSA-N 1 2 378.371 1.390 20 30 GDEDLO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2ncc(-c3nn[nH]n3)c2[nH]1 ZINC001573282690 946695143 /nfs/dbraw/zinc/69/51/43/946695143.db2.gz LOIIXIVDNYCEHH-UHFFFAOYSA-N 1 2 378.371 1.390 20 30 GDEDLO C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573292424 946933437 /nfs/dbraw/zinc/93/34/37/946933437.db2.gz WBQDZMQZNAEODQ-CQSZACIVSA-N 1 2 380.250 1.298 20 30 GDEDLO C[C@@H](c1cccc(Nc2cnc(-c3nn[nH]n3)c(C#N)n2)c1)[NH+]1CCOCC1 ZINC001575511999 949136803 /nfs/dbraw/zinc/13/68/03/949136803.db2.gz MDKRQFPYXJWAJB-LBPRGKRZSA-N 1 2 377.412 1.665 20 30 GDEDLO CN(CCC#N)S(=O)(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000027954938 530590138 /nfs/dbraw/zinc/59/01/38/530590138.db2.gz PXQJLEJRJJHHFI-UHFFFAOYSA-N 1 2 386.905 1.427 20 30 GDEDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000187966870 530881388 /nfs/dbraw/zinc/88/13/88/530881388.db2.gz KIXPISVXRGTTHN-NSHDSACASA-N 1 2 377.388 1.264 20 30 GDEDLO CN(CCC#N)S(=O)(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000123418099 530983671 /nfs/dbraw/zinc/98/36/71/530983671.db2.gz ZIFRSRZAAKXTEK-UHFFFAOYSA-N 1 2 385.921 1.142 20 30 GDEDLO CN(CC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)S(=O)(=O)c1cccs1 ZINC000152449452 531151580 /nfs/dbraw/zinc/15/15/80/531151580.db2.gz HHYSZSZHPNWMKN-OAHLLOKOSA-N 1 2 378.479 1.056 20 30 GDEDLO CN(C1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1)S(C)(=O)=O ZINC000408402397 531238420 /nfs/dbraw/zinc/23/84/20/531238420.db2.gz MMSOYFREQVISHY-AWEZNQCLSA-N 1 2 382.511 1.081 20 30 GDEDLO C[C@H](O[NH+]=C(N)Cc1ccc(Cl)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000267486499 531428255 /nfs/dbraw/zinc/42/82/55/531428255.db2.gz YTHVCQZBKKPFLH-FZMZJTMJSA-N 1 2 387.889 1.205 20 30 GDEDLO C[NH+](C)C[C@@](C)(C#N)NC(=O)COc1cccc(I)c1 ZINC000563220963 531818008 /nfs/dbraw/zinc/81/80/08/531818008.db2.gz XVOUSQXZSFWOPP-CQSZACIVSA-N 1 2 387.221 1.630 20 30 GDEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000595406460 531881609 /nfs/dbraw/zinc/88/16/09/531881609.db2.gz JMLFNOONPKKCIV-MRXNPFEDSA-N 1 2 375.274 1.992 20 30 GDEDLO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000595406460 531881613 /nfs/dbraw/zinc/88/16/13/531881613.db2.gz JMLFNOONPKKCIV-MRXNPFEDSA-N 1 2 375.274 1.992 20 30 GDEDLO C=CCCn1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)nn1 ZINC000657414225 532005874 /nfs/dbraw/zinc/00/58/74/532005874.db2.gz LAIXIXFKYNWPLT-UHFFFAOYSA-N 1 2 375.907 1.637 20 30 GDEDLO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000578442969 532050571 /nfs/dbraw/zinc/05/05/71/532050571.db2.gz QDVWJXKYQVRITN-JTQLQIEISA-N 1 2 380.214 1.548 20 30 GDEDLO CC(C)(CC#N)CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000422494069 532064151 /nfs/dbraw/zinc/06/41/51/532064151.db2.gz ZNOSMOFJSWNUOJ-UHFFFAOYSA-N 1 2 392.257 1.769 20 30 GDEDLO O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCCS(=O)(=O)CC1 ZINC000329456451 532103855 /nfs/dbraw/zinc/10/38/55/532103855.db2.gz QBRKGGVCIAFLHE-UHFFFAOYSA-N 1 2 383.539 1.901 20 30 GDEDLO COC(=O)c1cnc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)s1 ZINC000424732060 532106481 /nfs/dbraw/zinc/10/64/81/532106481.db2.gz PSVVBGRJFQVRBG-SNVBAGLBSA-N 1 2 380.451 1.321 20 30 GDEDLO CCCNC(=O)NC(=O)C[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000330504917 532126850 /nfs/dbraw/zinc/12/68/50/532126850.db2.gz JFRNMHCCJTVGMG-UHFFFAOYSA-N 1 2 384.278 1.406 20 30 GDEDLO COCC[N@H+](CCC#N)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821689256 599640310 /nfs/dbraw/zinc/64/03/10/599640310.db2.gz SHEPRURENHZWRI-UHFFFAOYSA-N 1 2 377.836 1.711 20 30 GDEDLO COCC[N@@H+](CCC#N)CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821689256 599640311 /nfs/dbraw/zinc/64/03/11/599640311.db2.gz SHEPRURENHZWRI-UHFFFAOYSA-N 1 2 377.836 1.711 20 30 GDEDLO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000826183112 607641006 /nfs/dbraw/zinc/64/10/06/607641006.db2.gz DVWPGYAJYQLZJB-CYBMUJFWSA-N 1 2 391.439 1.248 20 30 GDEDLO COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000826183112 607641008 /nfs/dbraw/zinc/64/10/08/607641008.db2.gz DVWPGYAJYQLZJB-CYBMUJFWSA-N 1 2 391.439 1.248 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000820788775 606779123 /nfs/dbraw/zinc/77/91/23/606779123.db2.gz NVCOKGCSOJPGPC-AWEZNQCLSA-N 1 2 394.870 1.872 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000820788775 606779124 /nfs/dbraw/zinc/77/91/24/606779124.db2.gz NVCOKGCSOJPGPC-AWEZNQCLSA-N 1 2 394.870 1.872 20 30 GDEDLO N#Cc1ccc(C[NH+]2CCN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])CC2)cc1 ZINC000822826463 607163385 /nfs/dbraw/zinc/16/33/85/607163385.db2.gz ZSFXXDPRIIIGOL-UHFFFAOYSA-N 1 2 391.395 1.364 20 30 GDEDLO C=C(C)[C@H](CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)OCC ZINC000823873920 607879495 /nfs/dbraw/zinc/87/94/95/607879495.db2.gz QGWRQJYMKDVVGU-SFHVURJKSA-N 1 2 384.484 1.882 20 30 GDEDLO N#Cc1cccc([C@@H]2C[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386471 608069713 /nfs/dbraw/zinc/06/97/13/608069713.db2.gz GPLOEAYGIZHRCM-OALUTQOASA-N 1 2 376.420 1.845 20 30 GDEDLO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)c1 ZINC000826386471 608069714 /nfs/dbraw/zinc/06/97/14/608069714.db2.gz GPLOEAYGIZHRCM-OALUTQOASA-N 1 2 376.420 1.845 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000824998939 608400855 /nfs/dbraw/zinc/40/08/55/608400855.db2.gz ALCSZKKUHCRJRQ-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000824998939 608400857 /nfs/dbraw/zinc/40/08/57/608400857.db2.gz ALCSZKKUHCRJRQ-LBPRGKRZSA-N 1 2 379.403 1.378 20 30 GDEDLO C=C(Br)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000161718180 644855084 /nfs/dbraw/zinc/85/50/84/644855084.db2.gz VHCTYKPZMKYBDH-UHFFFAOYSA-N 1 2 383.246 1.190 20 30 GDEDLO C#CC[NH+]1CCC(NS(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000921438000 660300517 /nfs/dbraw/zinc/30/05/17/660300517.db2.gz NRWIYRBDVFACFB-UHFFFAOYSA-N 1 2 375.263 1.964 20 30 GDEDLO CCS(=O)(=O)NCCC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471017154 647737222 /nfs/dbraw/zinc/73/72/22/647737222.db2.gz GPAIKOPWYSINOZ-QGZVFWFLSA-N 1 2 384.933 1.852 20 30 GDEDLO C[C@]1(F)C[NH2+]CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000515176246 648483555 /nfs/dbraw/zinc/48/35/55/648483555.db2.gz FNCOSLBTACRKMV-ZDUSSCGKSA-N 1 2 376.251 1.643 20 30 GDEDLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000577650035 651745176 /nfs/dbraw/zinc/74/51/76/651745176.db2.gz AREPKTMZTNHDBD-UHFFFAOYSA-N 1 2 384.527 1.231 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)nc1 ZINC000579249224 651845337 /nfs/dbraw/zinc/84/53/37/651845337.db2.gz URLCVYFKRYVZBK-HOTGVXAUSA-N 1 2 381.523 1.713 20 30 GDEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)nc1 ZINC000579249224 651845343 /nfs/dbraw/zinc/84/53/43/651845343.db2.gz URLCVYFKRYVZBK-HOTGVXAUSA-N 1 2 381.523 1.713 20 30 GDEDLO N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000597624535 652455204 /nfs/dbraw/zinc/45/52/04/652455204.db2.gz CMXVFZMKHHJLBM-INIZCTEOSA-N 1 2 377.286 1.369 20 30 GDEDLO N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000597624535 652455207 /nfs/dbraw/zinc/45/52/07/652455207.db2.gz CMXVFZMKHHJLBM-INIZCTEOSA-N 1 2 377.286 1.369 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613633571 652958718 /nfs/dbraw/zinc/95/87/18/652958718.db2.gz GULWNCHVPLXZHI-HUUCEWRRSA-N 1 2 385.555 1.665 20 30 GDEDLO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613633571 652958719 /nfs/dbraw/zinc/95/87/19/652958719.db2.gz GULWNCHVPLXZHI-HUUCEWRRSA-N 1 2 385.555 1.665 20 30 GDEDLO C#CC[NH+]1CCN(CN2CC[C@H](c3cccc(Br)c3)C2=O)CC1 ZINC000839958158 655272762 /nfs/dbraw/zinc/27/27/62/655272762.db2.gz IXBZJMYDQRDLLC-QGZVFWFLSA-N 1 2 376.298 1.973 20 30 GDEDLO C=CCS(=O)(=O)CCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000868490818 656157790 /nfs/dbraw/zinc/15/77/90/656157790.db2.gz ITHKOIXQFHRJRE-UHFFFAOYSA-N 1 2 384.527 1.035 20 30 GDEDLO C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)c2cc(Br)no2)n1 ZINC000878525947 656730399 /nfs/dbraw/zinc/73/03/99/656730399.db2.gz GVBPHFSWTKXIOI-ZDUSSCGKSA-N 1 2 383.246 1.449 20 30 GDEDLO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)c2cc(Br)no2)n1 ZINC000878525947 656730402 /nfs/dbraw/zinc/73/04/02/656730402.db2.gz GVBPHFSWTKXIOI-ZDUSSCGKSA-N 1 2 383.246 1.449 20 30 GDEDLO N#Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C(F)F)ccc1Br ZINC000903500442 659319612 /nfs/dbraw/zinc/31/96/12/659319612.db2.gz SKWFNLYUQORPCK-LLVKDONJSA-N 1 2 380.214 1.548 20 30 GDEDLO