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/nfs/dbraw/zinc/04/62/21/887046221.db2.gz AAUGDVHRXYHYEK-UHFFFAOYSA-N 1 2 281.316 -1.694 20 30 CAEDLO CNS(=O)(=O)N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC001365304333 887191909 /nfs/dbraw/zinc/19/19/09/887191909.db2.gz KUHIVZCGAHOAEX-JTQLQIEISA-N 1 2 276.362 -1.003 20 30 CAEDLO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001369970321 887596509 /nfs/dbraw/zinc/59/65/09/887596509.db2.gz UJOJTLGEZWORFU-VHSXEESVSA-N 1 2 288.373 -1.114 20 30 CAEDLO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001369970321 887596521 /nfs/dbraw/zinc/59/65/21/887596521.db2.gz UJOJTLGEZWORFU-VHSXEESVSA-N 1 2 288.373 -1.114 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1O ZINC001371541863 887669188 /nfs/dbraw/zinc/66/91/88/887669188.db2.gz IEYMFPKVWSUEAC-MXWKQRLJSA-N 1 2 291.311 -1.269 20 30 CAEDLO C[C@H](C#N)C(=O)NCC1C[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC001373505415 887747786 /nfs/dbraw/zinc/74/77/86/887747786.db2.gz XIIXKXAJHVLKKS-HTQZYQBOSA-N 1 2 281.316 -1.223 20 30 CAEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001376036952 887896793 /nfs/dbraw/zinc/89/67/93/887896793.db2.gz MUYHOOJQJMKKLA-DTWKUNHWSA-N 1 2 281.316 -1.078 20 30 CAEDLO C[C@@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001376036952 887896797 /nfs/dbraw/zinc/89/67/97/887896797.db2.gz MUYHOOJQJMKKLA-DTWKUNHWSA-N 1 2 281.316 -1.078 20 30 CAEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001376036954 887899193 /nfs/dbraw/zinc/89/91/93/887899193.db2.gz MUYHOOJQJMKKLA-IUCAKERBSA-N 1 2 281.316 -1.078 20 30 CAEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001376036954 887899198 /nfs/dbraw/zinc/89/91/98/887899198.db2.gz MUYHOOJQJMKKLA-IUCAKERBSA-N 1 2 281.316 -1.078 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC001376036957 887899380 /nfs/dbraw/zinc/89/93/80/887899380.db2.gz MUYHOOJQJMKKLA-RKDXNWHRSA-N 1 2 281.316 -1.078 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001376036957 887899391 /nfs/dbraw/zinc/89/93/91/887899391.db2.gz MUYHOOJQJMKKLA-RKDXNWHRSA-N 1 2 281.316 -1.078 20 30 CAEDLO C[C@H](C#N)C(=O)NCCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001376078865 887903252 /nfs/dbraw/zinc/90/32/52/887903252.db2.gz GLSNRYJXOOSVEA-NEPJUHHUSA-N 1 2 293.371 -1.232 20 30 CAEDLO C[C@H](C#N)C(=O)NCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377130499 887974969 /nfs/dbraw/zinc/97/49/69/887974969.db2.gz OHYJJTUVOMVHIQ-SNVBAGLBSA-N 1 2 295.343 -1.848 20 30 CAEDLO C[C@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377130499 887974973 /nfs/dbraw/zinc/97/49/73/887974973.db2.gz OHYJJTUVOMVHIQ-SNVBAGLBSA-N 1 2 295.343 -1.848 20 30 CAEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377130493 887976324 /nfs/dbraw/zinc/97/63/24/887976324.db2.gz OHYJJTUVOMVHIQ-JTQLQIEISA-N 1 2 295.343 -1.848 20 30 CAEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001377130493 887976328 /nfs/dbraw/zinc/97/63/28/887976328.db2.gz OHYJJTUVOMVHIQ-JTQLQIEISA-N 1 2 295.343 -1.848 20 30 CAEDLO C[C@H](C#N)C(=O)NCC1C[NH+](CCNS(C)(=O)=O)C1 ZINC001377959166 888025890 /nfs/dbraw/zinc/02/58/90/888025890.db2.gz GJTZJRMABVZCFG-SECBINFHSA-N 1 2 288.373 -1.257 20 30 CAEDLO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH2+]Cc1nc(N(C)C)no1 ZINC001379189291 888096539 /nfs/dbraw/zinc/09/65/39/888096539.db2.gz OATIGBYCCHKQBG-BDAKNGLRSA-N 1 2 296.331 -1.138 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001394222613 888823478 /nfs/dbraw/zinc/82/34/78/888823478.db2.gz VPWNHPVRCSSOBD-HTQZYQBOSA-N 1 2 281.316 -1.223 20 30 CAEDLO C[C@H](C#N)C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001395805499 888934661 /nfs/dbraw/zinc/93/46/61/888934661.db2.gz TZMZZEZNYWPVQV-PSASIEDQSA-N 1 2 279.300 -1.295 20 30 CAEDLO C[C@H](C#N)C(=O)NCCN1CC[NH+](CC(=O)N(C)C)CC1 ZINC001398276442 888990540 /nfs/dbraw/zinc/99/05/40/888990540.db2.gz UJBMSHGTAZEUQY-GFCCVEGCSA-N 1 2 295.387 -1.032 20 30 CAEDLO C[C@@H](C#N)C(=O)NCCN1CC[NH+](CC(=O)N(C)C)CC1 ZINC001398276445 888990849 /nfs/dbraw/zinc/99/08/49/888990849.db2.gz 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893698097 /nfs/dbraw/zinc/69/80/97/893698097.db2.gz LCELICBHEYIKMV-QWRGUYRKSA-N 1 2 294.355 -1.161 20 30 CAEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)CN(C)C(=O)COC ZINC001498992181 893701088 /nfs/dbraw/zinc/70/10/88/893701088.db2.gz OBTBTOWCKSDLAQ-LLVKDONJSA-N 1 2 267.329 -1.085 20 30 CAEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)CN(C)C(=O)COC ZINC001498992181 893701111 /nfs/dbraw/zinc/70/11/11/893701111.db2.gz OBTBTOWCKSDLAQ-LLVKDONJSA-N 1 2 267.329 -1.085 20 30 CAEDLO C[C@H](C#N)C(=O)NC[C@@]1(O)CC[N@H+](CC(=O)NCC#N)C1 ZINC001500650972 893741955 /nfs/dbraw/zinc/74/19/55/893741955.db2.gz ONPVSQFDFGCUME-MFKMUULPSA-N 1 2 293.327 -1.661 20 30 CAEDLO C[C@H](C#N)C(=O)NC[C@@]1(O)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001500650972 893741964 /nfs/dbraw/zinc/74/19/64/893741964.db2.gz ONPVSQFDFGCUME-MFKMUULPSA-N 1 2 293.327 -1.661 20 30 CAEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001500905511 893769581 /nfs/dbraw/zinc/76/95/81/893769581.db2.gz WJPNSGBASSRAEQ-NSHDSACASA-N 1 2 279.340 -1.349 20 30 CAEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001500993708 893777850 /nfs/dbraw/zinc/77/78/50/893777850.db2.gz GBSBJRWLGAGGEY-SNVBAGLBSA-N 1 2 295.339 -1.222 20 30 CAEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC(N)=O)CO2 ZINC001502453019 893848951 /nfs/dbraw/zinc/84/89/51/893848951.db2.gz JSFBRJYWSYJJLN-SNVBAGLBSA-N 1 2 265.313 -1.155 20 30 CAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001506746788 893939132 /nfs/dbraw/zinc/93/91/32/893939132.db2.gz BEWYETXWHCVCCK-VHSXEESVSA-N 1 2 296.371 -1.011 20 30 CAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001506746788 893939143 /nfs/dbraw/zinc/93/91/43/893939143.db2.gz BEWYETXWHCVCCK-VHSXEESVSA-N 1 2 296.371 -1.011 20 30 CAEDLO C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001506715920 893939463 /nfs/dbraw/zinc/93/94/63/893939463.db2.gz BVTMMYFUFQMOSF-FZMZJTMJSA-N 1 2 294.355 -1.020 20 30 CAEDLO C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001506715920 893939476 /nfs/dbraw/zinc/93/94/76/893939476.db2.gz BVTMMYFUFQMOSF-FZMZJTMJSA-N 1 2 294.355 -1.020 20 30 CAEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001506746787 893939543 /nfs/dbraw/zinc/93/95/43/893939543.db2.gz BEWYETXWHCVCCK-UWVGGRQHSA-N 1 2 296.371 -1.011 20 30 CAEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](NC(=O)C(N)=O)C(C)(C)C1 ZINC001506746787 893939558 /nfs/dbraw/zinc/93/95/58/893939558.db2.gz BEWYETXWHCVCCK-UWVGGRQHSA-N 1 2 296.371 -1.011 20 30 CAEDLO C=CCCC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001507176784 893968676 /nfs/dbraw/zinc/96/86/76/893968676.db2.gz BXMGDGINADHWCG-SECBINFHSA-N 1 2 268.321 -1.257 20 30 CAEDLO C=CCCC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001507176785 893971241 /nfs/dbraw/zinc/97/12/41/893971241.db2.gz BXMGDGINADHWCG-VIFPVBQESA-N 1 2 268.321 -1.257 20 30 CAEDLO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001507183702 893978493 /nfs/dbraw/zinc/97/84/93/893978493.db2.gz UUMBQBCRPPJFFA-YUMQZZPRSA-N 1 2 282.304 -2.165 20 30 CAEDLO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001507182769 893979826 /nfs/dbraw/zinc/97/98/26/893979826.db2.gz MRXJEYGUQANPQI-JGVFFNPUSA-N 1 2 267.293 -2.064 20 30 CAEDLO C#CCCCC(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001507191803 893988044 /nfs/dbraw/zinc/98/80/44/893988044.db2.gz CLGUQXWYUROWKK-JTQLQIEISA-N 1 2 280.332 -1.420 20 30 CAEDLO C#CCCCC(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001507191804 893988147 /nfs/dbraw/zinc/98/81/47/893988147.db2.gz CLGUQXWYUROWKK-SNVBAGLBSA-N 1 2 280.332 -1.420 20 30 CAEDLO N#CCNC(=O)C[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC001507348681 894037795 /nfs/dbraw/zinc/03/77/95/894037795.db2.gz QBFLITSFFRLHFH-NOZJJQNGSA-N 1 2 293.327 -1.775 20 30 CAEDLO N#CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC001507348681 894037810 /nfs/dbraw/zinc/03/78/10/894037810.db2.gz QBFLITSFFRLHFH-NOZJJQNGSA-N 1 2 293.327 -1.775 20 30 CAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC001507348684 894041777 /nfs/dbraw/zinc/04/17/77/894041777.db2.gz QBFLITSFFRLHFH-ZANVPECISA-N 1 2 293.327 -1.775 20 30 CAEDLO N#CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC001507348684 894041796 /nfs/dbraw/zinc/04/17/96/894041796.db2.gz QBFLITSFFRLHFH-ZANVPECISA-N 1 2 293.327 -1.775 20 30 CAEDLO C[C@@H](C#N)C(=O)N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001511080893 894146980 /nfs/dbraw/zinc/14/69/80/894146980.db2.gz QWPBQTSLRMRHQP-IUCAKERBSA-N 1 2 279.300 -1.295 20 30 CAEDLO C[C@H](C#N)C(=O)NC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001511099015 894150350 /nfs/dbraw/zinc/15/03/50/894150350.db2.gz WOWZYNMIVLVIDT-RKDXNWHRSA-N 1 2 279.300 -1.295 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001513046314 894174426 /nfs/dbraw/zinc/17/44/26/894174426.db2.gz BQUKLZYUAFPZFQ-OPRDCNLKSA-N 1 2 291.311 -1.200 20 30 CAEDLO C[C@H](CNC(=O)NCC#CCO)[NH+]1CCN(C)CC1 ZINC001527775229 894312619 /nfs/dbraw/zinc/31/26/19/894312619.db2.gz OHYIJNRRDMWJAC-GFCCVEGCSA-N 1 2 268.361 -1.083 20 30 CAEDLO C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001533290983 894410296 /nfs/dbraw/zinc/41/02/96/894410296.db2.gz LRGVJPWSQRBKMC-VHSXEESVSA-N 1 2 279.300 -1.364 20 30 CAEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001191777493 781919289 /nfs/dbraw/zinc/91/92/89/781919289.db2.gz NVIFMBJYPAMPPQ-IJLUTSLNSA-N 1 2 297.355 -1.419 20 30 CAEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC001191777493 781919298 /nfs/dbraw/zinc/91/92/98/781919298.db2.gz NVIFMBJYPAMPPQ-IJLUTSLNSA-N 1 2 297.355 -1.419 20 30 CAEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001191777458 781919375 /nfs/dbraw/zinc/91/93/75/781919375.db2.gz MHJZHXGPGJAMRH-HBNTYKKESA-N 1 2 285.344 -1.515 20 30 CAEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(=O)NC)C[C@H]1O ZINC001191777458 781919365 /nfs/dbraw/zinc/91/93/65/781919365.db2.gz MHJZHXGPGJAMRH-HBNTYKKESA-N 1 2 285.344 -1.515 20 30 CAEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191772341 781919964 /nfs/dbraw/zinc/91/99/64/781919964.db2.gz ZAGSZCMNYXBUMM-GHMZBOCLSA-N 1 2 285.344 -1.562 20 30 CAEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1O ZINC001191772341 781919977 /nfs/dbraw/zinc/91/99/77/781919977.db2.gz ZAGSZCMNYXBUMM-GHMZBOCLSA-N 1 2 285.344 -1.562 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001191853579 781920796 /nfs/dbraw/zinc/92/07/96/781920796.db2.gz GBTPTRAXIHDIHT-IJLUTSLNSA-N 1 2 294.355 -1.070 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1O ZINC001191853579 781920803 /nfs/dbraw/zinc/92/08/03/781920803.db2.gz GBTPTRAXIHDIHT-IJLUTSLNSA-N 1 2 294.355 -1.070 20 30 CAEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191807983 781921871 /nfs/dbraw/zinc/92/18/71/781921871.db2.gz ZLYRBERNFLWZLE-VXGBXAGGSA-N 1 2 297.355 -1.417 20 30 CAEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1O ZINC001191807983 781921877 /nfs/dbraw/zinc/92/18/77/781921877.db2.gz ZLYRBERNFLWZLE-VXGBXAGGSA-N 1 2 297.355 -1.417 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191882410 781923588 /nfs/dbraw/zinc/92/35/88/781923588.db2.gz RRZDGHPPFKATOO-YUSALJHKSA-N 1 2 294.355 -1.166 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191882410 781923584 /nfs/dbraw/zinc/92/35/84/781923584.db2.gz RRZDGHPPFKATOO-YUSALJHKSA-N 1 2 294.355 -1.166 20 30 CAEDLO CNS(=O)(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000351921542 530020337 /nfs/dbraw/zinc/02/03/37/530020337.db2.gz RBWANLMGQBMQKF-UHFFFAOYSA-N 1 2 276.362 -1.002 20 30 CAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995977 781927006 /nfs/dbraw/zinc/92/70/06/781927006.db2.gz XPDJUEPSKKUTAX-OPRDCNLKSA-N 1 2 296.327 -2.839 20 30 CAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995977 781927010 /nfs/dbraw/zinc/92/70/10/781927010.db2.gz XPDJUEPSKKUTAX-OPRDCNLKSA-N 1 2 296.327 -2.839 20 30 CAEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191966994 781927712 /nfs/dbraw/zinc/92/77/12/781927712.db2.gz CFQUVMHQDGDHES-RKDXNWHRSA-N 1 2 284.316 -2.675 20 30 CAEDLO C=CCNC(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191966994 781927718 /nfs/dbraw/zinc/92/77/18/781927718.db2.gz CFQUVMHQDGDHES-RKDXNWHRSA-N 1 2 284.316 -2.675 20 30 CAEDLO CNC(=O)NC(=O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000356078948 290478443 /nfs/dbraw/zinc/47/84/43/290478443.db2.gz DMWPYYGPIVQVGD-UHFFFAOYSA-N 1 2 297.359 -1.010 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001192096785 781936292 /nfs/dbraw/zinc/93/62/92/781936292.db2.gz JTNMHEZMGCAUCU-NXEZZACHSA-N 1 2 263.301 -1.468 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001192096785 781936304 /nfs/dbraw/zinc/93/63/04/781936304.db2.gz JTNMHEZMGCAUCU-NXEZZACHSA-N 1 2 263.301 -1.468 20 30 CAEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001192109835 781936643 /nfs/dbraw/zinc/93/66/43/781936643.db2.gz PZJSOQSWNVLPKR-GHMZBOCLSA-N 1 2 277.328 -1.078 20 30 CAEDLO 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CAEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001271348934 775604044 /nfs/dbraw/zinc/60/40/44/775604044.db2.gz ACZQENMYSWOZIH-LLVKDONJSA-N 1 2 270.329 -1.166 20 30 CAEDLO COCC#CCN1CC(O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001271360870 775604655 /nfs/dbraw/zinc/60/46/55/775604655.db2.gz CUCIZCLSZVNSQW-UHFFFAOYSA-N 1 2 292.339 -1.235 20 30 CAEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001271387759 775606236 /nfs/dbraw/zinc/60/62/36/775606236.db2.gz BZQKRBMBWBKWPV-UHFFFAOYSA-N 1 2 296.327 -1.723 20 30 CAEDLO C#CCNC(=O)C[N@H+]1CCC[C@](CO)(NC(C)=O)C1 ZINC001271931480 775629280 /nfs/dbraw/zinc/62/92/80/775629280.db2.gz AHKRDFFKAFFNNC-ZDUSSCGKSA-N 1 2 267.329 -1.301 20 30 CAEDLO C#CCNC(=O)C[N@@H+]1CCC[C@](CO)(NC(C)=O)C1 ZINC001271931480 775629281 /nfs/dbraw/zinc/62/92/81/775629281.db2.gz AHKRDFFKAFFNNC-ZDUSSCGKSA-N 1 2 267.329 -1.301 20 30 CAEDLO C#CCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(C)=O)C1 ZINC001271931479 775629309 /nfs/dbraw/zinc/62/93/09/775629309.db2.gz AHKRDFFKAFFNNC-CYBMUJFWSA-N 1 2 267.329 -1.301 20 30 CAEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(C)=O)C1 ZINC001271931479 775629311 /nfs/dbraw/zinc/62/93/11/775629311.db2.gz AHKRDFFKAFFNNC-CYBMUJFWSA-N 1 2 267.329 -1.301 20 30 CAEDLO C=CCNC(=O)C[N@H+]1CCC[C@@](CO)(NC(=O)COC)C1 ZINC001271932456 775629338 /nfs/dbraw/zinc/62/93/38/775629338.db2.gz RFKPTYAVRDXFMV-CQSZACIVSA-N 1 2 299.371 -1.122 20 30 CAEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)COC)C1 ZINC001271932456 775629343 /nfs/dbraw/zinc/62/93/43/775629343.db2.gz RFKPTYAVRDXFMV-CQSZACIVSA-N 1 2 299.371 -1.122 20 30 CAEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)COC ZINC001271951151 775632289 /nfs/dbraw/zinc/63/22/89/775632289.db2.gz NOWDUDAGJCVADG-UHFFFAOYSA-N 1 2 255.318 -1.228 20 30 CAEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)COC ZINC001271951151 775632292 /nfs/dbraw/zinc/63/22/92/775632292.db2.gz NOWDUDAGJCVADG-UHFFFAOYSA-N 1 2 255.318 -1.228 20 30 CAEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)Cn1ncnn1 ZINC001272019896 775639956 /nfs/dbraw/zinc/63/99/56/775639956.db2.gz 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C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](O)C1 ZINC001083445530 775669930 /nfs/dbraw/zinc/66/99/30/775669930.db2.gz FXJKXGSYJOTRON-MNOVXSKESA-N 1 2 263.301 -1.294 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](O)C1 ZINC001083445530 775669937 /nfs/dbraw/zinc/66/99/37/775669937.db2.gz FXJKXGSYJOTRON-MNOVXSKESA-N 1 2 263.301 -1.294 20 30 CAEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1(C(N)=O)CC1 ZINC001272098157 775673024 /nfs/dbraw/zinc/67/30/24/775673024.db2.gz NOBUPQICWUGTKI-UHFFFAOYSA-N 1 2 294.355 -1.609 20 30 CAEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1(C(N)=O)CC1 ZINC001272098157 775673028 /nfs/dbraw/zinc/67/30/28/775673028.db2.gz NOBUPQICWUGTKI-UHFFFAOYSA-N 1 2 294.355 -1.609 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001083450946 775674358 /nfs/dbraw/zinc/67/43/58/775674358.db2.gz RUODVYDTGFLEEN-ZJUUUORDSA-N 1 2 263.301 -1.550 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001083450946 775674363 /nfs/dbraw/zinc/67/43/63/775674363.db2.gz RUODVYDTGFLEEN-ZJUUUORDSA-N 1 2 263.301 -1.550 20 30 CAEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CCC(=O)N1 ZINC001272151940 775677897 /nfs/dbraw/zinc/67/78/97/775677897.db2.gz IVLQOOQIGDFYJY-JTQLQIEISA-N 1 2 295.343 -1.705 20 30 CAEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CCC(=O)N1 ZINC001272151940 775677900 /nfs/dbraw/zinc/67/79/00/775677900.db2.gz IVLQOOQIGDFYJY-JTQLQIEISA-N 1 2 295.343 -1.705 20 30 CAEDLO CC(C)C#CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001126828200 775694070 /nfs/dbraw/zinc/69/40/70/775694070.db2.gz NNSJESKJGORIBF-UHFFFAOYSA-N 1 2 265.317 -1.026 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)[C@@H](O)C1 ZINC001083504550 775704970 /nfs/dbraw/zinc/70/49/70/775704970.db2.gz FZXOZRQTEDZHFN-AXFHLTTASA-N 1 2 265.313 -1.741 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)[C@@H](O)C1 ZINC001083504550 775704975 /nfs/dbraw/zinc/70/49/75/775704975.db2.gz FZXOZRQTEDZHFN-AXFHLTTASA-N 1 2 265.313 -1.741 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@@H](O)C1 ZINC001083502233 775705158 /nfs/dbraw/zinc/70/51/58/775705158.db2.gz ZBXLTCIMHRNISW-MXWKQRLJSA-N 1 2 293.323 -1.682 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)N2C(=O)CCC2=O)[C@@H](O)C1 ZINC001083502233 775705165 /nfs/dbraw/zinc/70/51/65/775705165.db2.gz ZBXLTCIMHRNISW-MXWKQRLJSA-N 1 2 293.323 -1.682 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 ZINC001083522154 775708949 /nfs/dbraw/zinc/70/89/49/775708949.db2.gz VUIVLYMTLHTYDI-OLZOCXBDSA-N 1 2 289.339 -1.050 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2cc(C3CC3)nn2)[C@@H](O)C1 ZINC001083522154 775708959 /nfs/dbraw/zinc/70/89/59/775708959.db2.gz VUIVLYMTLHTYDI-OLZOCXBDSA-N 1 2 289.339 -1.050 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 ZINC001083541718 775718772 /nfs/dbraw/zinc/71/87/72/775718772.db2.gz VPSSTPGSLFWBOT-PWSUYJOCSA-N 1 2 290.323 -1.179 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@@H](O)C1 ZINC001083541718 775718778 /nfs/dbraw/zinc/71/87/78/775718778.db2.gz VPSSTPGSLFWBOT-PWSUYJOCSA-N 1 2 290.323 -1.179 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCNC2=O)[C@@H](O)C1 ZINC001083542305 775719627 /nfs/dbraw/zinc/71/96/27/775719627.db2.gz SOMXXHPAARSXFA-AXFHLTTASA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCNC2=O)[C@@H](O)C1 ZINC001083542305 775719633 /nfs/dbraw/zinc/71/96/33/775719633.db2.gz SOMXXHPAARSXFA-AXFHLTTASA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)[C@@H](O)C1 ZINC001083542306 775719722 /nfs/dbraw/zinc/71/97/22/775719722.db2.gz SOMXXHPAARSXFA-MXWKQRLJSA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)[C@@H](O)C1 ZINC001083542306 775719726 /nfs/dbraw/zinc/71/97/26/775719726.db2.gz SOMXXHPAARSXFA-MXWKQRLJSA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001076711120 775743309 /nfs/dbraw/zinc/74/33/09/775743309.db2.gz CNBFKUDCRXHZGV-NXEZZACHSA-N 1 2 262.269 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265.313 -1.598 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)[C@@H](O)C1 ZINC001083755814 775977208 /nfs/dbraw/zinc/97/72/08/775977208.db2.gz NQZTZIKHIPPJDR-NRUUGDAUSA-N 1 2 265.313 -1.550 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)[C@@H](O)C1 ZINC001083755814 775977216 /nfs/dbraw/zinc/97/72/16/775977216.db2.gz NQZTZIKHIPPJDR-NRUUGDAUSA-N 1 2 265.313 -1.550 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001077545924 775977971 /nfs/dbraw/zinc/97/79/71/775977971.db2.gz DRRVITFKFCWDJB-GYSYKLTISA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001077545924 775977978 /nfs/dbraw/zinc/97/79/78/775977978.db2.gz DRRVITFKFCWDJB-GYSYKLTISA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001083758145 775984533 /nfs/dbraw/zinc/98/45/33/775984533.db2.gz MGFOYCXZBXKOBZ-BDAKNGLRSA-N 1 2 252.249 -1.043 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2n[nH]cc2F)[C@@H](O)C1 ZINC001083758145 775984536 /nfs/dbraw/zinc/98/45/36/775984536.db2.gz MGFOYCXZBXKOBZ-BDAKNGLRSA-N 1 2 252.249 -1.043 20 30 CAEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001212257412 775990192 /nfs/dbraw/zinc/99/01/92/775990192.db2.gz BAXGSKXFMPQAPP-QJPTWQEYSA-N 1 2 297.355 -1.285 20 30 CAEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)C(N)=O)C[C@H]1OC ZINC001212257412 775990198 /nfs/dbraw/zinc/99/01/98/775990198.db2.gz BAXGSKXFMPQAPP-QJPTWQEYSA-N 1 2 297.355 -1.285 20 30 CAEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1OC ZINC001212260514 775993131 /nfs/dbraw/zinc/99/31/31/775993131.db2.gz CZFNTMQHXYCGLK-VXGBXAGGSA-N 1 2 297.355 -1.412 20 30 CAEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1OC ZINC001212260514 775993135 /nfs/dbraw/zinc/99/31/35/775993135.db2.gz CZFNTMQHXYCGLK-VXGBXAGGSA-N 1 2 297.355 -1.412 20 30 CAEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001038595468 776001927 /nfs/dbraw/zinc/00/19/27/776001927.db2.gz FHYMSUQPCMPZBH-ZJUUUORDSA-N 1 2 250.302 -1.166 20 30 CAEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001038595468 776001932 /nfs/dbraw/zinc/00/19/32/776001932.db2.gz FHYMSUQPCMPZBH-ZJUUUORDSA-N 1 2 250.302 -1.166 20 30 CAEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001038595462 776001955 /nfs/dbraw/zinc/00/19/55/776001955.db2.gz FHYMSUQPCMPZBH-VHSXEESVSA-N 1 2 250.302 -1.166 20 30 CAEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001038595462 776001961 /nfs/dbraw/zinc/00/19/61/776001961.db2.gz FHYMSUQPCMPZBH-VHSXEESVSA-N 1 2 250.302 -1.166 20 30 CAEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001038595458 776002906 /nfs/dbraw/zinc/00/29/06/776002906.db2.gz FHYMSUQPCMPZBH-UWVGGRQHSA-N 1 2 250.302 -1.166 20 30 CAEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001038595458 776002910 /nfs/dbraw/zinc/00/29/10/776002910.db2.gz FHYMSUQPCMPZBH-UWVGGRQHSA-N 1 2 250.302 -1.166 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC2=O)[C@@H](O)C1 ZINC001083774420 776006468 /nfs/dbraw/zinc/00/64/68/776006468.db2.gz GPVYZLOTHRLDLY-GBIKHYSHSA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCNC2=O)[C@@H](O)C1 ZINC001083774420 776006474 /nfs/dbraw/zinc/00/64/74/776006474.db2.gz GPVYZLOTHRLDLY-GBIKHYSHSA-N 1 2 265.313 -1.693 20 30 CAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083776122 776008295 /nfs/dbraw/zinc/00/82/95/776008295.db2.gz BJQOUONOJWWJGP-NOOOWODRSA-N 1 2 295.339 -1.796 20 30 CAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083776122 776008297 /nfs/dbraw/zinc/00/82/97/776008297.db2.gz BJQOUONOJWWJGP-NOOOWODRSA-N 1 2 295.339 -1.796 20 30 CAEDLO CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@H](C)C#N)n1 ZINC001124903480 776017229 /nfs/dbraw/zinc/01/72/29/776017229.db2.gz QSDSEWNKJYNVOQ-MRVPVSSYSA-N 1 2 294.315 -1.276 20 30 CAEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107146451 776035900 /nfs/dbraw/zinc/03/59/00/776035900.db2.gz KHWKXQLGYFWFFW-UHFFFAOYSA-N 1 2 295.343 -1.054 20 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/nfs/dbraw/zinc/05/06/26/776050626.db2.gz SHPKJDMYEYXQJL-PSASIEDQSA-N 1 2 264.285 -1.466 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001077624590 776050630 /nfs/dbraw/zinc/05/06/30/776050630.db2.gz SHPKJDMYEYXQJL-PSASIEDQSA-N 1 2 264.285 -1.466 20 30 CAEDLO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077625046 776051024 /nfs/dbraw/zinc/05/10/24/776051024.db2.gz OFJHYOHJJCVEPU-MWLCHTKSSA-N 1 2 278.312 -1.076 20 30 CAEDLO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001077625046 776051030 /nfs/dbraw/zinc/05/10/30/776051030.db2.gz OFJHYOHJJCVEPU-MWLCHTKSSA-N 1 2 278.312 -1.076 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001077651243 776052737 /nfs/dbraw/zinc/05/27/37/776052737.db2.gz ZXZUDGXFCDYJKY-ZYHUDNBSSA-N 1 2 275.308 -1.207 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1 ZINC001077651243 776052742 /nfs/dbraw/zinc/05/27/42/776052742.db2.gz ZXZUDGXFCDYJKY-ZYHUDNBSSA-N 1 2 275.308 -1.207 20 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776056883 /nfs/dbraw/zinc/05/68/83/776056883.db2.gz GPVYZLOTHRLDLY-GIPNMCIBSA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001077682884 776059160 /nfs/dbraw/zinc/05/91/60/776059160.db2.gz PPPYREFNIQLIJR-IRCOFANPSA-N 1 2 279.340 -1.495 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001077682884 776059164 /nfs/dbraw/zinc/05/91/64/776059164.db2.gz PPPYREFNIQLIJR-IRCOFANPSA-N 1 2 279.340 -1.495 20 30 CAEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001077689561 776061324 /nfs/dbraw/zinc/06/13/24/776061324.db2.gz SAGOKWNVHCHRNQ-VXGBXAGGSA-N 1 2 290.323 -1.088 20 30 CAEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001077689561 776061329 /nfs/dbraw/zinc/06/13/29/776061329.db2.gz SAGOKWNVHCHRNQ-VXGBXAGGSA-N 1 2 290.323 -1.088 20 30 CAEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107947588 776072476 /nfs/dbraw/zinc/07/24/76/776072476.db2.gz 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N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001099607083 776083139 /nfs/dbraw/zinc/08/31/39/776083139.db2.gz HUPCORYEZDROJJ-MNOVXSKESA-N 1 2 280.328 -1.412 20 30 CAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](O)C1 ZINC001099607083 776083146 /nfs/dbraw/zinc/08/31/46/776083146.db2.gz HUPCORYEZDROJJ-MNOVXSKESA-N 1 2 280.328 -1.412 20 30 CAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099607415 776083404 /nfs/dbraw/zinc/08/34/04/776083404.db2.gz MKFVPRAQACDHQB-BDAKNGLRSA-N 1 2 289.282 -1.448 20 30 CAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099607415 776083412 /nfs/dbraw/zinc/08/34/12/776083412.db2.gz MKFVPRAQACDHQB-BDAKNGLRSA-N 1 2 289.282 -1.448 20 30 CAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(C)=O)[C@@H](O)C1 ZINC001099607164 776083663 /nfs/dbraw/zinc/08/36/63/776083663.db2.gz JAARDJHUSMKCQR-QWRGUYRKSA-N 1 2 253.302 -1.693 20 30 CAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(C)=O)[C@@H](O)C1 ZINC001099607164 776083669 /nfs/dbraw/zinc/08/36/69/776083669.db2.gz JAARDJHUSMKCQR-QWRGUYRKSA-N 1 2 253.302 -1.693 20 30 CAEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099609639 776085439 /nfs/dbraw/zinc/08/54/39/776085439.db2.gz CVHYSUKPYFZVNV-WDEREUQCSA-N 1 2 298.343 -1.431 20 30 CAEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099609639 776085446 /nfs/dbraw/zinc/08/54/46/776085446.db2.gz CVHYSUKPYFZVNV-WDEREUQCSA-N 1 2 298.343 -1.431 20 30 CAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(C)=O)[C@H](O)C1 ZINC001099611413 776085921 /nfs/dbraw/zinc/08/59/21/776085921.db2.gz QOBFYRNZWZFLFU-GHMZBOCLSA-N 1 2 255.318 -1.140 20 30 CAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(C)=O)[C@H](O)C1 ZINC001099611413 776085924 /nfs/dbraw/zinc/08/59/24/776085924.db2.gz QOBFYRNZWZFLFU-GHMZBOCLSA-N 1 2 255.318 -1.140 20 30 CAEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001077833639 776088857 /nfs/dbraw/zinc/08/88/57/776088857.db2.gz TYZHZVTVOWDVNM-GHMZBOCLSA-N 1 2 263.301 -1.387 20 30 CAEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001077833639 776088860 /nfs/dbraw/zinc/08/88/60/776088860.db2.gz TYZHZVTVOWDVNM-GHMZBOCLSA-N 1 2 263.301 -1.387 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001077862814 776094229 /nfs/dbraw/zinc/09/42/29/776094229.db2.gz VIFREGPJCSSOGJ-VXGBXAGGSA-N 1 2 290.323 -1.329 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1 ZINC001077862814 776094233 /nfs/dbraw/zinc/09/42/33/776094233.db2.gz VIFREGPJCSSOGJ-VXGBXAGGSA-N 1 2 290.323 -1.329 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077851972 776096143 /nfs/dbraw/zinc/09/61/43/776096143.db2.gz NKBIBANKGFYMPK-RKDXNWHRSA-N 1 2 280.284 -2.667 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077851972 776096147 /nfs/dbraw/zinc/09/61/47/776096147.db2.gz NKBIBANKGFYMPK-RKDXNWHRSA-N 1 2 280.284 -2.667 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001077903226 776098979 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780476770 /nfs/dbraw/zinc/47/67/70/780476770.db2.gz TZCLDEKQDDKCLW-LLVKDONJSA-N 1 2 294.355 -1.595 20 30 CAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(=O)NC ZINC001233881807 780476776 /nfs/dbraw/zinc/47/67/76/780476776.db2.gz TZCLDEKQDDKCLW-LLVKDONJSA-N 1 2 294.355 -1.595 20 30 CAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(=O)NC ZINC001233897386 780478920 /nfs/dbraw/zinc/47/89/20/780478920.db2.gz GSNQPCJDAXIIJQ-LLVKDONJSA-N 1 2 296.371 -1.043 20 30 CAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(=O)NC ZINC001233897386 780478923 /nfs/dbraw/zinc/47/89/23/780478923.db2.gz GSNQPCJDAXIIJQ-LLVKDONJSA-N 1 2 296.371 -1.043 20 30 CAEDLO COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234378149 780484110 /nfs/dbraw/zinc/48/41/10/780484110.db2.gz MVILFTRDDBHXQO-GFCCVEGCSA-N 1 2 292.343 -1.144 20 30 CAEDLO COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1ncnn1 ZINC001234378149 780484114 /nfs/dbraw/zinc/48/41/14/780484114.db2.gz MVILFTRDDBHXQO-GFCCVEGCSA-N 1 2 292.343 -1.144 20 30 CAEDLO 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ZINC001330158708 885180550 /nfs/dbraw/zinc/18/05/50/885180550.db2.gz BPOPVSDHVXTBTG-AWEZNQCLSA-N 1 2 294.355 -1.019 20 30 CAEDLO N#CCNC(=O)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC001330562824 885205459 /nfs/dbraw/zinc/20/54/59/885205459.db2.gz HEAYTSDNJZBUAK-OWOJBTEDSA-N 1 2 266.301 -1.369 20 30 CAEDLO N#CC1(NC(=O)C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CCC1 ZINC001331143823 885251802 /nfs/dbraw/zinc/25/18/02/885251802.db2.gz HWGIMYUZLVWJJB-ZJUUUORDSA-N 1 2 253.302 -1.024 20 30 CAEDLO N#CC1(NC(=O)C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)CCC1 ZINC001331143823 885251813 /nfs/dbraw/zinc/25/18/13/885251813.db2.gz HWGIMYUZLVWJJB-ZJUUUORDSA-N 1 2 253.302 -1.024 20 30 CAEDLO CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001331502627 885283343 /nfs/dbraw/zinc/28/33/43/885283343.db2.gz CQSQIFRPYDRZPQ-SNVBAGLBSA-N 1 2 288.373 -1.113 20 30 CAEDLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001331502627 885283367 /nfs/dbraw/zinc/28/33/67/885283367.db2.gz CQSQIFRPYDRZPQ-SNVBAGLBSA-N 1 2 288.373 -1.113 20 30 CAEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cn(C)nn2)C1 ZINC001332521907 885418346 /nfs/dbraw/zinc/41/83/46/885418346.db2.gz WKAJMNHLXGLKPQ-JTQLQIEISA-N 1 2 290.327 -1.033 20 30 CAEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cn(C)nn2)C1 ZINC001332521907 885418352 /nfs/dbraw/zinc/41/83/52/885418352.db2.gz WKAJMNHLXGLKPQ-JTQLQIEISA-N 1 2 290.327 -1.033 20 30 CAEDLO C#CC[N@H+]1CCC[C@H](NC(=O)C(=O)N=c2nc[nH]n2C)C1 ZINC001334180748 885529669 /nfs/dbraw/zinc/52/96/69/885529669.db2.gz UCYJVNOZNXQDRM-JTQLQIEISA-N 1 2 290.327 -1.611 20 30 CAEDLO C#CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N=c2nc[nH]n2C)C1 ZINC001334180748 885529680 /nfs/dbraw/zinc/52/96/80/885529680.db2.gz UCYJVNOZNXQDRM-JTQLQIEISA-N 1 2 290.327 -1.611 20 30 CAEDLO CN(CC[NH+](C)C)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001337794681 885721590 /nfs/dbraw/zinc/72/15/90/885721590.db2.gz HMCKIICDSBXEKI-UHFFFAOYSA-N 1 2 251.290 -1.057 20 30 CAEDLO NC(=O)CNN=Cc1ccc(C=[NH+]NCC(N)=O)cc1 ZINC001337828213 885721132 /nfs/dbraw/zinc/72/11/32/885721132.db2.gz 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/nfs/dbraw/zinc/20/80/67/886208067.db2.gz DDKSYCVBJGLZSR-UHFFFAOYSA-N 1 2 274.346 -2.007 20 30 CAEDLO Cn1c(=O)[nH]c(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(C#N)c1=O ZINC001354081171 886296673 /nfs/dbraw/zinc/29/66/73/886296673.db2.gz ZPSRPERHVQTVGX-YUMQZZPRSA-N 1 2 261.285 -1.399 20 30 CAEDLO C#CCNC(=O)CC[NH+]1CC2(C1)NC(=O)NC2=O ZINC001355404820 886341879 /nfs/dbraw/zinc/34/18/79/886341879.db2.gz CSBFTQKABXTZTK-UHFFFAOYSA-N 1 2 250.258 -1.980 20 30 CAEDLO Cn1c(=O)[nH]c(N2CCC([NH2+]CCO)CC2)c(C#N)c1=O ZINC001364172452 887038923 /nfs/dbraw/zinc/03/89/23/887038923.db2.gz NIKZKOGRQNISMZ-UHFFFAOYSA-N 1 2 293.327 -1.504 20 30 CAEDLO Cn1c[nH+]cc1[C@H](CO)NC(=O)Cn1cnc(C#N)n1 ZINC001364201071 887045999 /nfs/dbraw/zinc/04/59/99/887045999.db2.gz SFKYPKNPRZTJQH-QMMMGPOBSA-N 1 2 275.272 -1.267 20 30 CAEDLO CNC(=O)NC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001365973735 887252753 /nfs/dbraw/zinc/25/27/53/887252753.db2.gz QEMOFPCTPZCABK-DTWKUNHWSA-N 1 2 281.316 -1.208 20 30 CAEDLO CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001365973735 887252738 /nfs/dbraw/zinc/25/27/38/887252738.db2.gz QEMOFPCTPZCABK-DTWKUNHWSA-N 1 2 281.316 -1.208 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001369970323 887595226 /nfs/dbraw/zinc/59/52/26/887595226.db2.gz UJOJTLGEZWORFU-ZJUUUORDSA-N 1 2 288.373 -1.114 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001369970323 887595240 /nfs/dbraw/zinc/59/52/40/887595240.db2.gz UJOJTLGEZWORFU-ZJUUUORDSA-N 1 2 288.373 -1.114 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC001369970318 887596784 /nfs/dbraw/zinc/59/67/84/887596784.db2.gz UJOJTLGEZWORFU-NXEZZACHSA-N 1 2 288.373 -1.114 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001369970318 887596793 /nfs/dbraw/zinc/59/67/93/887596793.db2.gz UJOJTLGEZWORFU-NXEZZACHSA-N 1 2 288.373 -1.114 20 30 CAEDLO C[C@H](C(=O)NC(N)=O)[NH+]1CC(CNC(=O)[C@@H](C)C#N)C1 ZINC001373505419 887748263 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COCC[N@H+](CCNC(=O)[C@H](C)C#N)CC(=O)NC(N)=O ZINC001380108182 888193981 /nfs/dbraw/zinc/19/39/81/888193981.db2.gz ZKIIETIPHZSASR-SECBINFHSA-N 1 2 299.331 -1.594 20 30 CAEDLO COCC[N@@H+](CCNC(=O)[C@H](C)C#N)CC(=O)NC(N)=O ZINC001380108182 888193986 /nfs/dbraw/zinc/19/39/86/888193986.db2.gz ZKIIETIPHZSASR-SECBINFHSA-N 1 2 299.331 -1.594 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@@H](C)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001394222624 888820388 /nfs/dbraw/zinc/82/03/88/888820388.db2.gz VPWNHPVRCSSOBD-SFYZADRCSA-N 1 2 281.316 -1.223 20 30 CAEDLO C[C@@H](NC(=O)[C@@H](C)C#N)C1C[NH+](CC(=O)NC(N)=O)C1 ZINC001394222622 888823560 /nfs/dbraw/zinc/82/35/60/888823560.db2.gz VPWNHPVRCSSOBD-JGVFFNPUSA-N 1 2 281.316 -1.223 20 30 CAEDLO C[C@@H](C#N)C(=O)NC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001395805503 888935423 /nfs/dbraw/zinc/93/54/23/888935423.db2.gz TZMZZEZNYWPVQV-WCBMZHEXSA-N 1 2 279.300 -1.295 20 30 CAEDLO COCc1noc(C[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C#N)n1 ZINC001406211520 889486584 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782482530 /nfs/dbraw/zinc/48/25/30/782482530.db2.gz ZDDDJINKXMLPRB-IUCAKERBSA-N 1 2 264.289 -2.040 20 30 CAEDLO CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047544103 782491401 /nfs/dbraw/zinc/49/14/01/782491401.db2.gz MWUGFLQGYYHWGF-QWRGUYRKSA-N 1 2 263.301 -1.021 20 30 CAEDLO CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CN(CC#N)C[C@@H]1O ZINC001047598175 782496191 /nfs/dbraw/zinc/49/61/91/782496191.db2.gz YRUSPMLKZZZFDY-RYUDHWBXSA-N 1 2 277.328 -1.010 20 30 CAEDLO CN(CC1C[NH+](C)C1)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001120947056 779644833 /nfs/dbraw/zinc/64/48/33/779644833.db2.gz WEJNWXBIHMYMRR-UHFFFAOYSA-N 1 2 263.301 -1.057 20 30 CAEDLO C[C@@]1(C#N)CN(C(=O)CN2CC[NH2+]CC2=O)CCO1 ZINC001122366338 779666279 /nfs/dbraw/zinc/66/62/79/779666279.db2.gz WWSHIAWCNBCRJM-GFCCVEGCSA-N 1 2 266.301 -1.441 20 30 CAEDLO C#CCOC[C@@H](O)C[NH+]1CCN(S(C)(=O)=O)CC1 ZINC001251848257 780578160 /nfs/dbraw/zinc/57/81/60/780578160.db2.gz XEWZQPNMFPNOIP-NSHDSACASA-N 1 2 276.358 -1.426 20 30 CAEDLO C#CCOC[C@@H](O)C[N@@H+]1CCN(C(C)=O)[C@@H](C(=O)OC)C1 ZINC001251858255 780578699 /nfs/dbraw/zinc/57/86/99/780578699.db2.gz USUZLNHOJHHHQQ-QWHCGFSZSA-N 1 2 298.339 -1.297 20 30 CAEDLO C#CCOC[C@@H](O)C[N@H+]1CCN(C(C)=O)[C@@H](C(=O)OC)C1 ZINC001251858255 780578701 /nfs/dbraw/zinc/57/87/01/780578701.db2.gz USUZLNHOJHHHQQ-QWHCGFSZSA-N 1 2 298.339 -1.297 20 30 CAEDLO C#CCC[NH+]1CC(O)(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001278878186 780617347 /nfs/dbraw/zinc/61/73/47/780617347.db2.gz VQQRTHRNVRKSNB-VIFPVBQESA-N 1 2 294.311 -2.229 20 30 CAEDLO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001255637145 780617576 /nfs/dbraw/zinc/61/75/76/780617576.db2.gz YGXHYAGHMNIZDV-OFPUPOEVSA-N 1 2 289.250 -1.441 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COC[C@@H]2CCCO2)[C@@H](O)C1 ZINC001221184159 780406270 /nfs/dbraw/zinc/40/62/70/780406270.db2.gz RSAQNBWGSLSDHI-XQQFMLRXSA-N 1 2 282.340 -1.024 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)COC[C@@H]2CCCO2)[C@@H](O)C1 ZINC001221184159 780406276 /nfs/dbraw/zinc/40/62/76/780406276.db2.gz RSAQNBWGSLSDHI-XQQFMLRXSA-N 1 2 282.340 -1.024 20 30 CAEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001276834603 780427841 /nfs/dbraw/zinc/42/78/41/780427841.db2.gz NKPIKUPFTJDVRF-QWRGUYRKSA-N 1 2 282.344 -1.117 20 30 CAEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)NC(N)=O ZINC001276834603 780427849 /nfs/dbraw/zinc/42/78/49/780427849.db2.gz NKPIKUPFTJDVRF-QWRGUYRKSA-N 1 2 282.344 -1.117 20 30 CAEDLO C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C(N)=O ZINC001282451757 780817937 /nfs/dbraw/zinc/81/79/37/780817937.db2.gz ZNQNYSQCWPYAQK-MRVPVSSYSA-N 1 2 256.306 -1.790 20 30 CAEDLO C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C(N)=O ZINC001282451757 780817951 /nfs/dbraw/zinc/81/79/51/780817951.db2.gz ZNQNYSQCWPYAQK-MRVPVSSYSA-N 1 2 256.306 -1.790 20 30 CAEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001282448719 780818519 /nfs/dbraw/zinc/81/85/19/780818519.db2.gz GSKNDOLQHOSRKJ-JTQLQIEISA-N 1 2 297.359 -1.330 20 30 CAEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C(N)=O ZINC001282448719 780818531 /nfs/dbraw/zinc/81/85/31/780818531.db2.gz GSKNDOLQHOSRKJ-JTQLQIEISA-N 1 2 297.359 -1.330 20 30 CAEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cnnn1)CO2 ZINC001053732641 782576146 /nfs/dbraw/zinc/57/61/46/782576146.db2.gz BHYBOEZIHWOPAT-NSHDSACASA-N 1 2 290.327 -1.344 20 30 CAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190581679 781876478 /nfs/dbraw/zinc/87/64/78/781876478.db2.gz YBLQTUDMOSPCOG-FBIMIBRVSA-N 1 2 255.318 -1.142 20 30 CAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190581679 781876485 /nfs/dbraw/zinc/87/64/85/781876485.db2.gz YBLQTUDMOSPCOG-FBIMIBRVSA-N 1 2 255.318 -1.142 20 30 CAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190581111 781876665 /nfs/dbraw/zinc/87/66/65/781876665.db2.gz SAZKDTAEKJMAKN-JMJZKYOTSA-N 1 2 253.302 -1.695 20 30 CAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190581111 781876671 /nfs/dbraw/zinc/87/66/71/781876671.db2.gz SAZKDTAEKJMAKN-JMJZKYOTSA-N 1 2 253.302 -1.695 20 30 CAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190581107 781877835 /nfs/dbraw/zinc/87/78/35/781877835.db2.gz SAZKDTAEKJMAKN-FBIMIBRVSA-N 1 2 253.302 -1.695 20 30 CAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001190581107 781877843 /nfs/dbraw/zinc/87/78/43/781877843.db2.gz SAZKDTAEKJMAKN-FBIMIBRVSA-N 1 2 253.302 -1.695 20 30 CAEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nnn(C)n1)CO2 ZINC001053897020 782585156 /nfs/dbraw/zinc/58/51/56/782585156.db2.gz JODWUKHYQQIQML-JTQLQIEISA-N 1 2 290.327 -1.194 20 30 CAEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)CO2 ZINC001053910674 782585345 /nfs/dbraw/zinc/58/53/45/782585345.db2.gz QMKQHRUDPKYJEM-MNOVXSKESA-N 1 2 292.339 -1.349 20 30 CAEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)C(N)=O)C2)CC1 ZINC001052072914 782709751 /nfs/dbraw/zinc/70/97/51/782709751.db2.gz CGQCBMRQWGRHMV-JTQLQIEISA-N 1 2 265.317 -1.786 20 30 CAEDLO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001051997664 782709872 /nfs/dbraw/zinc/70/98/72/782709872.db2.gz FNTPZTPJRBQKPY-NEPJUHHUSA-N 1 2 293.371 -1.150 20 30 CAEDLO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCN(CC(N)=O)CC2)C1 ZINC001051997667 782709934 /nfs/dbraw/zinc/70/99/34/782709934.db2.gz FNTPZTPJRBQKPY-VXGBXAGGSA-N 1 2 293.371 -1.150 20 30 CAEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C(N)=O)C2)CC1 ZINC001052073171 782710531 /nfs/dbraw/zinc/71/05/31/782710531.db2.gz GHLSFOKPONITOV-LLVKDONJSA-N 1 2 264.329 -1.677 20 30 CAEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C(N)=O)C2)CC1 ZINC001052073171 782710540 /nfs/dbraw/zinc/71/05/40/782710540.db2.gz GHLSFOKPONITOV-LLVKDONJSA-N 1 2 264.329 -1.677 20 30 CAEDLO C[C@H](C#N)C(=O)NCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001057994261 782721390 /nfs/dbraw/zinc/72/13/90/782721390.db2.gz PQSNCPSUCYIMNF-LLVKDONJSA-N 1 2 293.327 -1.020 20 30 CAEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993875 782757694 /nfs/dbraw/zinc/75/76/94/782757694.db2.gz RYTRFMQGPPSUPN-UHFFFAOYSA-N 1 2 280.328 -1.855 20 30 CAEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993875 782757697 /nfs/dbraw/zinc/75/76/97/782757697.db2.gz RYTRFMQGPPSUPN-UHFFFAOYSA-N 1 2 280.328 -1.855 20 30 CAEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993583 782758211 /nfs/dbraw/zinc/75/82/11/782758211.db2.gz HRHRIJUFFFBFCE-UHFFFAOYSA-N 1 2 282.344 -1.302 20 30 CAEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C(N)=O)CC1 ZINC001070993583 782758224 /nfs/dbraw/zinc/75/82/24/782758224.db2.gz HRHRIJUFFFBFCE-UHFFFAOYSA-N 1 2 282.344 -1.302 20 30 CAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099606730 782818922 /nfs/dbraw/zinc/81/89/22/782818922.db2.gz BQHZITAAZWGRPU-JGVFFNPUSA-N 1 2 290.270 -1.557 20 30 CAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@H](O)C1 ZINC001099606730 782818931 /nfs/dbraw/zinc/81/89/31/782818931.db2.gz BQHZITAAZWGRPU-JGVFFNPUSA-N 1 2 290.270 -1.557 20 30 CAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099606732 782819748 /nfs/dbraw/zinc/81/97/48/782819748.db2.gz BQHZITAAZWGRPU-YUMQZZPRSA-N 1 2 290.270 -1.557 20 30 CAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC001099606732 782819752 /nfs/dbraw/zinc/81/97/52/782819752.db2.gz BQHZITAAZWGRPU-YUMQZZPRSA-N 1 2 290.270 -1.557 20 30 CAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099606900 782819867 /nfs/dbraw/zinc/81/98/67/782819867.db2.gz FGTBOWOHUKGWFH-VXGBXAGGSA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099606900 782819874 /nfs/dbraw/zinc/81/98/74/782819874.db2.gz FGTBOWOHUKGWFH-VXGBXAGGSA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099606898 782819959 /nfs/dbraw/zinc/81/99/59/782819959.db2.gz FGTBOWOHUKGWFH-NWDGAFQWSA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099606898 782819966 /nfs/dbraw/zinc/81/99/66/782819966.db2.gz FGTBOWOHUKGWFH-NWDGAFQWSA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC)[C@@H](O)C1 ZINC001099605359 782820598 /nfs/dbraw/zinc/82/05/98/782820598.db2.gz UJTGIRXLVDGTNO-MNOVXSKESA-N 1 2 267.329 -1.303 20 30 CAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC)[C@@H](O)C1 ZINC001099605359 782820602 /nfs/dbraw/zinc/82/06/02/782820602.db2.gz UJTGIRXLVDGTNO-MNOVXSKESA-N 1 2 267.329 -1.303 20 30 CAEDLO COCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099618028 782821533 /nfs/dbraw/zinc/82/15/33/782821533.db2.gz NMIVFHMPIRUCKA-NXEZZACHSA-N 1 2 284.316 -2.176 20 30 CAEDLO COCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099618028 782821540 /nfs/dbraw/zinc/82/15/40/782821540.db2.gz NMIVFHMPIRUCKA-NXEZZACHSA-N 1 2 284.316 -2.176 20 30 CAEDLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099618030 782822103 /nfs/dbraw/zinc/82/21/03/782822103.db2.gz NMIVFHMPIRUCKA-VHSXEESVSA-N 1 2 284.316 -2.176 20 30 CAEDLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099618030 782822105 /nfs/dbraw/zinc/82/21/05/782822105.db2.gz NMIVFHMPIRUCKA-VHSXEESVSA-N 1 2 284.316 -2.176 20 30 CAEDLO COCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099618029 782822349 /nfs/dbraw/zinc/82/23/49/782822349.db2.gz NMIVFHMPIRUCKA-UWVGGRQHSA-N 1 2 284.316 -2.176 20 30 CAEDLO COCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099618029 782822359 /nfs/dbraw/zinc/82/23/59/782822359.db2.gz NMIVFHMPIRUCKA-UWVGGRQHSA-N 1 2 284.316 -2.176 20 30 CAEDLO COCCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099621628 782823051 /nfs/dbraw/zinc/82/30/51/782823051.db2.gz WCIFWKRRGVORCC-QWRGUYRKSA-N 1 2 298.343 -1.786 20 30 CAEDLO COCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099621628 782823053 /nfs/dbraw/zinc/82/30/53/782823053.db2.gz WCIFWKRRGVORCC-QWRGUYRKSA-N 1 2 298.343 -1.786 20 30 CAEDLO CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099627191 782824309 /nfs/dbraw/zinc/82/43/09/782824309.db2.gz KPEVJBHLWKYPGH-GHMZBOCLSA-N 1 2 282.344 -1.022 20 30 CAEDLO CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099627191 782824314 /nfs/dbraw/zinc/82/43/14/782824314.db2.gz KPEVJBHLWKYPGH-GHMZBOCLSA-N 1 2 282.344 -1.022 20 30 CAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CSC)[C@H](O)C1 ZINC001099648264 782825732 /nfs/dbraw/zinc/82/57/32/782825732.db2.gz PYTIKKPIDCDLOI-WDEREUQCSA-N 1 2 299.396 -1.350 20 30 CAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CSC)[C@H](O)C1 ZINC001099648264 782825742 /nfs/dbraw/zinc/82/57/42/782825742.db2.gz PYTIKKPIDCDLOI-WDEREUQCSA-N 1 2 299.396 -1.350 20 30 CAEDLO CC(C)C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099668687 782827127 /nfs/dbraw/zinc/82/71/27/782827127.db2.gz FYZPBFFFMVHQGC-QWRGUYRKSA-N 1 2 282.344 -1.166 20 30 CAEDLO CC(C)C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099668687 782827136 /nfs/dbraw/zinc/82/71/36/782827136.db2.gz FYZPBFFFMVHQGC-QWRGUYRKSA-N 1 2 282.344 -1.166 20 30 CAEDLO CC(C)C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099668685 782828108 /nfs/dbraw/zinc/82/81/08/782828108.db2.gz FYZPBFFFMVHQGC-GHMZBOCLSA-N 1 2 282.344 -1.166 20 30 CAEDLO CC(C)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1O ZINC001099668685 782828115 /nfs/dbraw/zinc/82/81/15/782828115.db2.gz FYZPBFFFMVHQGC-GHMZBOCLSA-N 1 2 282.344 -1.166 20 30 CAEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001099726381 782829465 /nfs/dbraw/zinc/82/94/65/782829465.db2.gz GJJLZJPLKBGKQD-NXEZZACHSA-N 1 2 255.318 -1.011 20 30 CAEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001099726381 782829472 /nfs/dbraw/zinc/82/94/72/782829472.db2.gz GJJLZJPLKBGKQD-NXEZZACHSA-N 1 2 255.318 -1.011 20 30 CAEDLO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099723584 782829821 /nfs/dbraw/zinc/82/98/21/782829821.db2.gz IKKOSJSFYSULRN-ZJUUUORDSA-N 1 2 298.343 -1.301 20 30 CAEDLO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(N)=O)C[C@@H]1O ZINC001099723584 782829830 /nfs/dbraw/zinc/82/98/30/782829830.db2.gz IKKOSJSFYSULRN-ZJUUUORDSA-N 1 2 298.343 -1.301 20 30 CAEDLO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C[C@H]1O 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775790177 /nfs/dbraw/zinc/79/01/77/775790177.db2.gz PMOCPZJGRRHABQ-WGBDABJCSA-N 1 2 250.298 -1.183 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001077030538 775790180 /nfs/dbraw/zinc/79/01/80/775790180.db2.gz PMOCPZJGRRHABQ-WGBDABJCSA-N 1 2 250.298 -1.183 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001077088171 775795101 /nfs/dbraw/zinc/79/51/01/775795101.db2.gz ZBXLTCIMHRNISW-HBNTYKKESA-N 1 2 293.323 -1.682 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)N2C(=O)CCC2=O)C1 ZINC001077088171 775795110 /nfs/dbraw/zinc/79/51/10/775795110.db2.gz ZBXLTCIMHRNISW-HBNTYKKESA-N 1 2 293.323 -1.682 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001077170279 775799137 /nfs/dbraw/zinc/79/91/37/775799137.db2.gz VPSSTPGSLFWBOT-ZYHUDNBSSA-N 1 2 290.323 -1.179 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 ZINC001077170279 775799143 /nfs/dbraw/zinc/79/91/43/775799143.db2.gz VPSSTPGSLFWBOT-ZYHUDNBSSA-N 1 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C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001077281112 775813289 /nfs/dbraw/zinc/81/32/89/775813289.db2.gz WNOUYFQZXLUFOP-GMTAPVOTSA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001077281112 775813296 /nfs/dbraw/zinc/81/32/96/775813296.db2.gz WNOUYFQZXLUFOP-GMTAPVOTSA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001077336891 775817174 /nfs/dbraw/zinc/81/71/74/775817174.db2.gz PWOGTHITKKNRSN-QJPTWQEYSA-N 1 2 294.355 -1.428 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001077336891 775817179 /nfs/dbraw/zinc/81/71/79/775817179.db2.gz PWOGTHITKKNRSN-QJPTWQEYSA-N 1 2 294.355 -1.428 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)n(C)n2)C1 ZINC001077356544 775820638 /nfs/dbraw/zinc/82/06/38/775820638.db2.gz AUUFPDKBSHOIGK-GHMZBOCLSA-N 1 2 278.312 -1.163 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(OC)n(C)n2)C1 ZINC001077356544 775820651 /nfs/dbraw/zinc/82/06/51/775820651.db2.gz AUUFPDKBSHOIGK-GHMZBOCLSA-N 1 2 278.312 -1.163 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 ZINC001077362096 775821268 /nfs/dbraw/zinc/82/12/68/775821268.db2.gz INKPFLLTCHGWMD-CHWSQXEVSA-N 1 2 292.339 -1.062 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 ZINC001077362096 775821274 /nfs/dbraw/zinc/82/12/74/775821274.db2.gz INKPFLLTCHGWMD-CHWSQXEVSA-N 1 2 292.339 -1.062 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001077415564 775824464 /nfs/dbraw/zinc/82/44/64/775824464.db2.gz ZXAGCWSLEXXWAJ-MWLCHTKSSA-N 1 2 276.296 -1.812 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001077415564 775824469 /nfs/dbraw/zinc/82/44/69/775824469.db2.gz ZXAGCWSLEXXWAJ-MWLCHTKSSA-N 1 2 276.296 -1.812 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CC)[C@@H](O)C1 ZINC001083589349 775826180 /nfs/dbraw/zinc/82/61/80/775826180.db2.gz CGUGCUHDFQGQFM-UPJWGTAASA-N 1 2 281.356 -1.498 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2COCCN2CC)[C@@H](O)C1 ZINC001083589349 775826191 /nfs/dbraw/zinc/82/61/91/775826191.db2.gz CGUGCUHDFQGQFM-UPJWGTAASA-N 1 2 281.356 -1.498 20 30 CAEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001127026960 775836974 /nfs/dbraw/zinc/83/69/74/775836974.db2.gz CCSGBQYKRLHDMT-UHFFFAOYSA-N 1 2 281.316 -1.646 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001077434145 775838992 /nfs/dbraw/zinc/83/89/92/775838992.db2.gz KXBHXYMQUAYUFJ-BREBYQMCSA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001077434145 775838999 /nfs/dbraw/zinc/83/89/99/775838999.db2.gz KXBHXYMQUAYUFJ-BREBYQMCSA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001077432868 775839041 /nfs/dbraw/zinc/83/90/41/775839041.db2.gz ABYHYCRHDAPWOI-ODXJTPSBSA-N 1 2 294.351 -1.168 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001077432868 775839050 /nfs/dbraw/zinc/83/90/50/775839050.db2.gz ABYHYCRHDAPWOI-ODXJTPSBSA-N 1 2 294.351 -1.168 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC001083662599 775848486 /nfs/dbraw/zinc/84/84/86/775848486.db2.gz ABYHYCRHDAPWOI-PDWCTOEPSA-N 1 2 294.351 -1.168 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](O)C1 ZINC001083662599 775848492 /nfs/dbraw/zinc/84/84/92/775848492.db2.gz ABYHYCRHDAPWOI-PDWCTOEPSA-N 1 2 294.351 -1.168 20 30 CAEDLO C[NH+](C)CC#CCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000913518306 775850612 /nfs/dbraw/zinc/85/06/12/775850612.db2.gz MCAAQUKIMCGDMO-UHFFFAOYSA-N 1 2 288.311 -1.248 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)[C@@H](O)C1 ZINC001083671317 775850846 /nfs/dbraw/zinc/85/08/46/775850846.db2.gz JHWYRGYWBZNZOH-UTUOFQBUSA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)[C@@H](O)C1 ZINC001083671317 775850853 /nfs/dbraw/zinc/85/08/53/775850853.db2.gz JHWYRGYWBZNZOH-UTUOFQBUSA-N 1 2 279.340 -1.303 20 30 CAEDLO CC#CC[NH2+]CCN(CCO)C(=O)Cc1ncn[nH]1 ZINC001272290583 775887761 /nfs/dbraw/zinc/88/77/61/775887761.db2.gz PLSWJVYOGHOSRP-UHFFFAOYSA-N 1 2 265.317 -1.219 20 30 CAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001083692681 775912199 /nfs/dbraw/zinc/91/21/99/775912199.db2.gz YLXMSIBRTRCFMT-ZJUUUORDSA-N 1 2 263.301 -1.089 20 30 CAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)[C@@H](O)C1 ZINC001083692681 775912208 /nfs/dbraw/zinc/91/22/08/775912208.db2.gz YLXMSIBRTRCFMT-ZJUUUORDSA-N 1 2 263.301 -1.089 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083699603 775917941 /nfs/dbraw/zinc/91/79/41/775917941.db2.gz FREPLLASCXGZAB-BBBLOLIVSA-N 1 2 266.301 -2.196 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083699603 775917952 /nfs/dbraw/zinc/91/79/52/775917952.db2.gz FREPLLASCXGZAB-BBBLOLIVSA-N 1 2 266.301 -2.196 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083699604 775918757 /nfs/dbraw/zinc/91/87/57/775918757.db2.gz FREPLLASCXGZAB-UTLUCORTSA-N 1 2 266.301 -2.196 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083699604 775918765 /nfs/dbraw/zinc/91/87/65/775918765.db2.gz FREPLLASCXGZAB-UTLUCORTSA-N 1 2 266.301 -2.196 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001077521610 775922003 /nfs/dbraw/zinc/92/20/03/775922003.db2.gz HLMTUNTTZJEANV-OUAUKWLOSA-N 1 2 265.313 -1.598 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001077521610 775922006 /nfs/dbraw/zinc/92/20/06/775922006.db2.gz HLMTUNTTZJEANV-OUAUKWLOSA-N 1 2 265.313 -1.598 20 30 CAEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001083708366 775925542 /nfs/dbraw/zinc/92/55/42/775925542.db2.gz VSGLRFWBVMFXCA-SFYZADRCSA-N 1 2 252.278 -1.829 20 30 CAEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001083708366 775925528 /nfs/dbraw/zinc/92/55/28/775925528.db2.gz VSGLRFWBVMFXCA-SFYZADRCSA-N 1 2 252.278 -1.829 20 30 CAEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526683 775937562 /nfs/dbraw/zinc/93/75/62/775937562.db2.gz VSGLRFWBVMFXCA-HTQZYQBOSA-N 1 2 252.278 -1.829 20 30 CAEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526683 775937572 /nfs/dbraw/zinc/93/75/72/775937572.db2.gz VSGLRFWBVMFXCA-HTQZYQBOSA-N 1 2 252.278 -1.829 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001083710915 775937926 /nfs/dbraw/zinc/93/79/26/775937926.db2.gz PTMLLDMZOAFSLY-AXFHLTTASA-N 1 2 265.313 -1.741 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001083710915 775937934 /nfs/dbraw/zinc/93/79/34/775937934.db2.gz PTMLLDMZOAFSLY-AXFHLTTASA-N 1 2 265.313 -1.741 20 30 CAEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526723 775939019 /nfs/dbraw/zinc/93/90/19/775939019.db2.gz XKGKQRTXQSRSHA-RKDXNWHRSA-N 1 2 264.289 -1.992 20 30 CAEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526723 775939027 /nfs/dbraw/zinc/93/90/27/775939027.db2.gz XKGKQRTXQSRSHA-RKDXNWHRSA-N 1 2 264.289 -1.992 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001083734790 775961117 /nfs/dbraw/zinc/96/11/17/775961117.db2.gz VQHYEWPBYYJSIH-ZJUUUORDSA-N 1 2 262.269 -1.822 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001083734790 775961129 /nfs/dbraw/zinc/96/11/29/775961129.db2.gz VQHYEWPBYYJSIH-ZJUUUORDSA-N 1 2 262.269 -1.822 20 30 CAEDLO N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001083744058 775971540 /nfs/dbraw/zinc/97/15/40/775971540.db2.gz VAZOCQYULJHDRG-NEPJUHHUSA-N 1 2 288.307 -1.295 20 30 CAEDLO N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001083744058 775971546 /nfs/dbraw/zinc/97/15/46/775971546.db2.gz VAZOCQYULJHDRG-NEPJUHHUSA-N 1 2 288.307 -1.295 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c(C)nc[nH]c2=O)C1 ZINC001077546074 775977276 /nfs/dbraw/zinc/97/72/76/775977276.db2.gz LXSXIYDLLQLNHT-NXEZZACHSA-N 1 2 276.296 -1.101 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001083753433 775977839 /nfs/dbraw/zinc/97/78/39/775977839.db2.gz SHPKJDMYEYXQJL-SCZZXKLOSA-N 1 2 264.285 -1.466 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001083753433 775977848 /nfs/dbraw/zinc/97/78/48/775977848.db2.gz SHPKJDMYEYXQJL-SCZZXKLOSA-N 1 2 264.285 -1.466 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)co2)[C@@H](O)C1 ZINC001083767557 775996308 /nfs/dbraw/zinc/99/63/08/775996308.db2.gz JPVFNXIRCZMIRM-ZJUUUORDSA-N 1 2 277.280 -1.213 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)co2)[C@@H](O)C1 ZINC001083767557 775996316 /nfs/dbraw/zinc/99/63/16/775996316.db2.gz JPVFNXIRCZMIRM-ZJUUUORDSA-N 1 2 277.280 -1.213 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 ZINC001083767364 775997247 /nfs/dbraw/zinc/99/72/47/775997247.db2.gz ZXZUDGXFCDYJKY-PWSUYJOCSA-N 1 2 275.308 -1.207 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@@H](O)C1 ZINC001083767364 775997252 /nfs/dbraw/zinc/99/72/52/775997252.db2.gz ZXZUDGXFCDYJKY-PWSUYJOCSA-N 1 2 275.308 -1.207 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC2=O)[C@@H](O)C1 ZINC001083774421 776005949 /nfs/dbraw/zinc/00/59/49/776005949.db2.gz GPVYZLOTHRLDLY-NRUUGDAUSA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CCNC2=O)[C@@H](O)C1 ZINC001083774421 776005959 /nfs/dbraw/zinc/00/59/59/776005959.db2.gz GPVYZLOTHRLDLY-NRUUGDAUSA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 ZINC001077578460 776014238 /nfs/dbraw/zinc/01/42/38/776014238.db2.gz DZDXGUSMQFOKPW-GHMZBOCLSA-N 1 2 291.307 -1.285 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 ZINC001077578460 776014242 /nfs/dbraw/zinc/01/42/42/776014242.db2.gz DZDXGUSMQFOKPW-GHMZBOCLSA-N 1 2 291.307 -1.285 20 30 CAEDLO CNC(=O)Cc1noc(C[NH2+]CCNC(=O)[C@@H](C)C#N)n1 ZINC001124903482 776017685 /nfs/dbraw/zinc/01/76/85/776017685.db2.gz QSDSEWNKJYNVOQ-QMMMGPOBSA-N 1 2 294.315 -1.276 20 30 CAEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC(N)=O)nn2)C1 ZINC001107150413 776036846 /nfs/dbraw/zinc/03/68/46/776036846.db2.gz MMTSOTQBNNFJMM-UHFFFAOYSA-N 1 2 278.316 -1.188 20 30 CAEDLO C[C@@H](C#N)C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107149994 776037140 /nfs/dbraw/zinc/03/71/40/776037140.db2.gz XNRRZOJMYJXNHD-VIFPVBQESA-N 1 2 278.316 -1.097 20 30 CAEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(N)=O)nn2)C1 ZINC001107202149 776038181 /nfs/dbraw/zinc/03/81/81/776038181.db2.gz SGAPZDOPWYXZIU-UHFFFAOYSA-N 1 2 278.316 -1.188 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077599302 776040540 /nfs/dbraw/zinc/04/05/40/776040540.db2.gz UNPKHQSCPOAWAV-IWSPIJDZSA-N 1 2 252.274 -2.538 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077599302 776040551 /nfs/dbraw/zinc/04/05/51/776040551.db2.gz UNPKHQSCPOAWAV-IWSPIJDZSA-N 1 2 252.274 -2.538 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001083784204 776040935 /nfs/dbraw/zinc/04/09/35/776040935.db2.gz IHPLREXONHHKAC-MNOVXSKESA-N 1 2 276.296 -1.478 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001083784204 776040942 /nfs/dbraw/zinc/04/09/42/776040942.db2.gz IHPLREXONHHKAC-MNOVXSKESA-N 1 2 276.296 -1.478 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H](O)C1 ZINC001083784815 776051217 /nfs/dbraw/zinc/05/12/17/776051217.db2.gz PPPYREFNIQLIJR-QCNOEVLYSA-N 1 2 279.340 -1.495 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H](O)C1 ZINC001083784815 776051223 /nfs/dbraw/zinc/05/12/23/776051223.db2.gz PPPYREFNIQLIJR-QCNOEVLYSA-N 1 2 279.340 -1.495 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1 ZINC001083785329 776054608 /nfs/dbraw/zinc/05/46/08/776054608.db2.gz SGRRKSFEVNWTRH-KXNHARMFSA-N 1 2 279.340 -1.318 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H](O)C1 ZINC001083785329 776054614 /nfs/dbraw/zinc/05/46/14/776054614.db2.gz SGRRKSFEVNWTRH-KXNHARMFSA-N 1 2 279.340 -1.318 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)co2)C1 ZINC001077657582 776054712 /nfs/dbraw/zinc/05/47/12/776054712.db2.gz JPVFNXIRCZMIRM-NXEZZACHSA-N 1 2 277.280 -1.213 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)co2)C1 ZINC001077657582 776054715 /nfs/dbraw/zinc/05/47/15/776054715.db2.gz JPVFNXIRCZMIRM-NXEZZACHSA-N 1 2 277.280 -1.213 20 30 CAEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727529 776055951 /nfs/dbraw/zinc/05/59/51/776055951.db2.gz AEIGDHFWZPNPHH-ZDUSSCGKSA-N 1 2 292.343 -1.097 20 30 CAEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cnnn2)C1 ZINC001107727529 776055956 /nfs/dbraw/zinc/05/59/56/776055956.db2.gz AEIGDHFWZPNPHH-ZDUSSCGKSA-N 1 2 292.343 -1.097 20 30 CAEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107723793 776057079 /nfs/dbraw/zinc/05/70/79/776057079.db2.gz BHFLYXVAGXMTEY-ZDUSSCGKSA-N 1 2 282.344 -1.115 20 30 CAEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CNC(N)=O)C1 ZINC001107723793 776057084 /nfs/dbraw/zinc/05/70/84/776057084.db2.gz BHFLYXVAGXMTEY-ZDUSSCGKSA-N 1 2 282.344 -1.115 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077689449 776060251 /nfs/dbraw/zinc/06/02/51/776060251.db2.gz MNJOJQIGOUDEAA-UTINFBMNSA-N 1 2 251.286 -2.098 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077689449 776060255 /nfs/dbraw/zinc/06/02/55/776060255.db2.gz MNJOJQIGOUDEAA-UTINFBMNSA-N 1 2 251.286 -2.098 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001077688534 776060370 /nfs/dbraw/zinc/06/03/70/776060370.db2.gz SGRRKSFEVNWTRH-WRWGMCAJSA-N 1 2 279.340 -1.318 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001077688534 776060374 /nfs/dbraw/zinc/06/03/74/776060374.db2.gz SGRRKSFEVNWTRH-WRWGMCAJSA-N 1 2 279.340 -1.318 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001077753428 776065858 /nfs/dbraw/zinc/06/58/58/776065858.db2.gz FQKQBOBCNWLZAZ-DJLDLDEBSA-N 1 2 280.284 -2.621 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001077753428 776065860 /nfs/dbraw/zinc/06/58/60/776065860.db2.gz FQKQBOBCNWLZAZ-DJLDLDEBSA-N 1 2 280.284 -2.621 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](O)C1 ZINC001083787508 776068482 /nfs/dbraw/zinc/06/84/82/776068482.db2.gz FBMITKFQHWOQOW-NEPJUHHUSA-N 1 2 262.313 -1.014 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2ccc(C)n2)[C@@H](O)C1 ZINC001083787508 776068488 /nfs/dbraw/zinc/06/84/88/776068488.db2.gz FBMITKFQHWOQOW-NEPJUHHUSA-N 1 2 262.313 -1.014 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(OC)n2)C1 ZINC001077783586 776070461 /nfs/dbraw/zinc/07/04/61/776070461.db2.gz NRYCCUMDRDCNDT-GHMZBOCLSA-N 1 2 276.296 -1.107 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cncc(OC)n2)C1 ZINC001077783586 776070462 /nfs/dbraw/zinc/07/04/62/776070462.db2.gz NRYCCUMDRDCNDT-GHMZBOCLSA-N 1 2 276.296 -1.107 20 30 CAEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107947587 776071986 /nfs/dbraw/zinc/07/19/86/776071986.db2.gz MZFQKAODVBQJNX-CYBMUJFWSA-N 1 2 292.343 -1.097 20 30 CAEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)Cn2ncnn2)C1 ZINC001107947587 776071991 /nfs/dbraw/zinc/07/19/91/776071991.db2.gz MZFQKAODVBQJNX-CYBMUJFWSA-N 1 2 292.343 -1.097 20 30 CAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099607085 776083196 /nfs/dbraw/zinc/08/31/96/776083196.db2.gz HUPCORYEZDROJJ-WDEREUQCSA-N 1 2 280.328 -1.412 20 30 CAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC2)[C@H](O)C1 ZINC001099607085 776083206 /nfs/dbraw/zinc/08/32/06/776083206.db2.gz HUPCORYEZDROJJ-WDEREUQCSA-N 1 2 280.328 -1.412 20 30 CAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(C)=O)[C@H](O)C1 ZINC001099607165 776083306 /nfs/dbraw/zinc/08/33/06/776083306.db2.gz JAARDJHUSMKCQR-WDEREUQCSA-N 1 2 253.302 -1.693 20 30 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20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2nnnc2C(C)C)[C@@H](O)C1 ZINC001083844420 776189986 /nfs/dbraw/zinc/18/99/86/776189986.db2.gz CXBOXNSTJBQROK-MNOVXSKESA-N 1 2 292.343 -1.409 20 30 CAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666464 776194622 /nfs/dbraw/zinc/19/46/22/776194622.db2.gz WRAWWSSJURWYIE-DTWKUNHWSA-N 1 2 290.751 -1.041 20 30 CAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666464 776194628 /nfs/dbraw/zinc/19/46/28/776194628.db2.gz WRAWWSSJURWYIE-DTWKUNHWSA-N 1 2 290.751 -1.041 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001128622428 776199031 /nfs/dbraw/zinc/19/90/31/776199031.db2.gz VWQBOCSXOHUHCW-MNOVXSKESA-N 1 2 263.301 -1.101 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COC)[C@@H](n2ccnn2)C1 ZINC001128622428 776199042 /nfs/dbraw/zinc/19/90/42/776199042.db2.gz VWQBOCSXOHUHCW-MNOVXSKESA-N 1 2 263.301 -1.101 20 30 CAEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090177211 776217044 /nfs/dbraw/zinc/21/70/44/776217044.db2.gz DHXREFXYIDOENV-GXSJLCMTSA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090177211 776217048 /nfs/dbraw/zinc/21/70/48/776217048.db2.gz DHXREFXYIDOENV-GXSJLCMTSA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090177216 776217119 /nfs/dbraw/zinc/21/71/19/776217119.db2.gz DHXREFXYIDOENV-MWLCHTKSSA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c1 ZINC001090177216 776217125 /nfs/dbraw/zinc/21/71/25/776217125.db2.gz DHXREFXYIDOENV-MWLCHTKSSA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c[nH]1 ZINC001090195587 776221285 /nfs/dbraw/zinc/22/12/85/776221285.db2.gz VZNMNENZYYRCOF-QWRGUYRKSA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c[nH]1 ZINC001090195587 776221289 /nfs/dbraw/zinc/22/12/89/776221289.db2.gz VZNMNENZYYRCOF-QWRGUYRKSA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c[nH]1 ZINC001090195582 776221896 /nfs/dbraw/zinc/22/18/96/776221896.db2.gz VZNMNENZYYRCOF-GHMZBOCLSA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c[nH]1 ZINC001090195582 776221898 /nfs/dbraw/zinc/22/18/98/776221898.db2.gz VZNMNENZYYRCOF-GHMZBOCLSA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090202540 776222405 /nfs/dbraw/zinc/22/24/05/776222405.db2.gz ZGZMDYZAKRXCQG-MWLCHTKSSA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090202540 776222415 /nfs/dbraw/zinc/22/24/15/776222415.db2.gz ZGZMDYZAKRXCQG-MWLCHTKSSA-N 1 2 291.311 -1.463 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 ZINC001083860517 776222708 /nfs/dbraw/zinc/22/27/08/776222708.db2.gz VFAMCTIWXBEKMB-OLZOCXBDSA-N 1 2 295.383 -1.108 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 ZINC001083860517 776222713 /nfs/dbraw/zinc/22/27/13/776222713.db2.gz VFAMCTIWXBEKMB-OLZOCXBDSA-N 1 2 295.383 -1.108 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 ZINC001083871164 776254309 /nfs/dbraw/zinc/25/43/09/776254309.db2.gz VIFREGPJCSSOGJ-NEPJUHHUSA-N 1 2 290.323 -1.329 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@@H](O)C1 ZINC001083871164 776254314 /nfs/dbraw/zinc/25/43/14/776254314.db2.gz VIFREGPJCSSOGJ-NEPJUHHUSA-N 1 2 290.323 -1.329 20 30 CAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001083876992 776261726 /nfs/dbraw/zinc/26/17/26/776261726.db2.gz AXYKPAWZYPWUHY-ZJUUUORDSA-N 1 2 250.258 -1.132 20 30 CAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnon2)[C@@H](O)C1 ZINC001083876992 776261730 /nfs/dbraw/zinc/26/17/30/776261730.db2.gz AXYKPAWZYPWUHY-ZJUUUORDSA-N 1 2 250.258 -1.132 20 30 CAEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C(N)=O)C1 ZINC001108175145 776263302 /nfs/dbraw/zinc/26/33/02/776263302.db2.gz RGPWEKPJIHVUTK-LBPRGKRZSA-N 1 2 253.302 -1.298 20 30 CAEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C(N)=O)C1 ZINC001108175145 776263306 /nfs/dbraw/zinc/26/33/06/776263306.db2.gz RGPWEKPJIHVUTK-LBPRGKRZSA-N 1 2 253.302 -1.298 20 30 CAEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC001090292321 776284229 /nfs/dbraw/zinc/28/42/29/776284229.db2.gz OCPSUCDLVKYKIB-GHMZBOCLSA-N 1 2 288.369 -1.232 20 30 CAEDLO C=CC[N@H+]1CC[C@@H](NC(=O)C2CS(=O)(=O)C2)[C@H](O)C1 ZINC001090292321 776284237 /nfs/dbraw/zinc/28/42/37/776284237.db2.gz OCPSUCDLVKYKIB-GHMZBOCLSA-N 1 2 288.369 -1.232 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(CC)nn2)[C@@H](O)C1 ZINC001083899534 776284481 /nfs/dbraw/zinc/28/44/81/776284481.db2.gz KEACAYCFXGHYHT-KOLCDFICSA-N 1 2 263.301 -1.294 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC)nn2)[C@@H](O)C1 ZINC001083899534 776284485 /nfs/dbraw/zinc/28/44/85/776284485.db2.gz KEACAYCFXGHYHT-KOLCDFICSA-N 1 2 263.301 -1.294 20 30 CAEDLO C=CC[N@@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001083931923 776300581 /nfs/dbraw/zinc/30/05/81/776300581.db2.gz IOVFLUOKNYRAGI-BDAKNGLRSA-N 1 2 251.290 -1.306 20 30 CAEDLO C=CC[N@H+]1C[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](O)C1 ZINC001083931923 776300585 /nfs/dbraw/zinc/30/05/85/776300585.db2.gz IOVFLUOKNYRAGI-BDAKNGLRSA-N 1 2 251.290 -1.306 20 30 CAEDLO C#CCC[N@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001099718586 776336845 /nfs/dbraw/zinc/33/68/45/776336845.db2.gz OAMTWAJPPLZMQG-WDEREUQCSA-N 1 2 288.369 -1.394 20 30 CAEDLO C#CCC[N@@H+]1CC[C@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001099718586 776336854 /nfs/dbraw/zinc/33/68/54/776336854.db2.gz OAMTWAJPPLZMQG-WDEREUQCSA-N 1 2 288.369 -1.394 20 30 CAEDLO C=CC[N@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001099719082 776338730 /nfs/dbraw/zinc/33/87/30/776338730.db2.gz WNAAVVOBHWTUAC-ZJUUUORDSA-N 1 2 276.358 -1.232 20 30 CAEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)C1 ZINC001099719082 776338739 /nfs/dbraw/zinc/33/87/39/776338739.db2.gz WNAAVVOBHWTUAC-ZJUUUORDSA-N 1 2 276.358 -1.232 20 30 CAEDLO C=CC[N@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001099719079 776340730 /nfs/dbraw/zinc/34/07/30/776340730.db2.gz WNAAVVOBHWTUAC-NXEZZACHSA-N 1 2 276.358 -1.232 20 30 CAEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@H](O)C1 ZINC001099719079 776340736 /nfs/dbraw/zinc/34/07/36/776340736.db2.gz WNAAVVOBHWTUAC-NXEZZACHSA-N 1 2 276.358 -1.232 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@H](OC)C1 ZINC001081614443 776379534 /nfs/dbraw/zinc/37/95/34/776379534.db2.gz PGTNCMYQTDQWRQ-MWLCHTKSSA-N 1 2 263.301 -1.123 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnnn2C)[C@H](OC)C1 ZINC001081614443 776379542 /nfs/dbraw/zinc/37/95/42/776379542.db2.gz PGTNCMYQTDQWRQ-MWLCHTKSSA-N 1 2 263.301 -1.123 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)[C@H](OC)C1 ZINC001081975266 776401504 /nfs/dbraw/zinc/40/15/04/776401504.db2.gz WZTXGHBUYSXREB-GYSYKLTISA-N 1 2 279.340 -1.039 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CNC(=O)C2)[C@H](OC)C1 ZINC001081975266 776401507 /nfs/dbraw/zinc/40/15/07/776401507.db2.gz WZTXGHBUYSXREB-GYSYKLTISA-N 1 2 279.340 -1.039 20 30 CAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](OC)C1 ZINC001082036185 776402285 /nfs/dbraw/zinc/40/22/85/776402285.db2.gz DNGVRCXGHXWPNO-NXEZZACHSA-N 1 2 278.316 -1.338 20 30 CAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](OC)C1 ZINC001082036185 776402290 /nfs/dbraw/zinc/40/22/90/776402290.db2.gz DNGVRCXGHXWPNO-NXEZZACHSA-N 1 2 278.316 -1.338 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](OC)C1 ZINC001082034697 776403429 /nfs/dbraw/zinc/40/34/29/776403429.db2.gz AWSABDQFQBGFIX-RKDXNWHRSA-N 1 2 264.289 -1.728 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](OC)C1 ZINC001082034697 776403431 /nfs/dbraw/zinc/40/34/31/776403431.db2.gz AWSABDQFQBGFIX-RKDXNWHRSA-N 1 2 264.289 -1.728 20 30 CAEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743809 776415769 /nfs/dbraw/zinc/41/57/69/776415769.db2.gz PFYLEFRACSXAKY-RKDXNWHRSA-N 1 2 297.315 -2.947 20 30 CAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743809 776415773 /nfs/dbraw/zinc/41/57/73/776415773.db2.gz PFYLEFRACSXAKY-RKDXNWHRSA-N 1 2 297.315 -2.947 20 30 CAEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743807 776416311 /nfs/dbraw/zinc/41/63/11/776416311.db2.gz PFYLEFRACSXAKY-DTWKUNHWSA-N 1 2 297.315 -2.947 20 30 CAEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099743807 776416315 /nfs/dbraw/zinc/41/63/15/776416315.db2.gz PFYLEFRACSXAKY-DTWKUNHWSA-N 1 2 297.315 -2.947 20 30 CAEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083030109 776429576 /nfs/dbraw/zinc/42/95/76/776429576.db2.gz WKCALIPGKIHZPX-VHSXEESVSA-N 1 2 251.286 -1.593 20 30 CAEDLO C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001083030109 776429581 /nfs/dbraw/zinc/42/95/81/776429581.db2.gz WKCALIPGKIHZPX-VHSXEESVSA-N 1 2 251.286 -1.593 20 30 CAEDLO C#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ncn(C)n3)[C@H]2C1 ZINC001083072551 776431398 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IQOVCQQVZUBOJN-MWLCHTKSSA-N 1 2 296.327 -1.017 20 30 CAEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)CN(C)C(=O)COC ZINC001498992182 893700108 /nfs/dbraw/zinc/70/01/08/893700108.db2.gz OBTBTOWCKSDLAQ-NSHDSACASA-N 1 2 267.329 -1.085 20 30 CAEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)CN(C)C(=O)COC ZINC001498992182 893700116 /nfs/dbraw/zinc/70/01/16/893700116.db2.gz OBTBTOWCKSDLAQ-NSHDSACASA-N 1 2 267.329 -1.085 20 30 CAEDLO C#CC[N@H+]1CC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001499006842 893702433 /nfs/dbraw/zinc/70/24/33/893702433.db2.gz FBZAKFUPQZXXLO-GFCCVEGCSA-N 1 2 278.356 -1.416 20 30 CAEDLO C#CC[N@@H+]1CC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001499006842 893702442 /nfs/dbraw/zinc/70/24/42/893702442.db2.gz FBZAKFUPQZXXLO-GFCCVEGCSA-N 1 2 278.356 -1.416 20 30 CAEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001499006843 893702557 /nfs/dbraw/zinc/70/25/57/893702557.db2.gz FBZAKFUPQZXXLO-LBPRGKRZSA-N 1 2 278.356 -1.416 20 30 CAEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC001499006843 893702564 /nfs/dbraw/zinc/70/25/64/893702564.db2.gz FBZAKFUPQZXXLO-LBPRGKRZSA-N 1 2 278.356 -1.416 20 30 CAEDLO C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001499061525 893704155 /nfs/dbraw/zinc/70/41/55/893704155.db2.gz DNPDCQXAZHGJIU-UWVGGRQHSA-N 1 2 273.358 -1.252 20 30 CAEDLO C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001499061525 893704168 /nfs/dbraw/zinc/70/41/68/893704168.db2.gz DNPDCQXAZHGJIU-UWVGGRQHSA-N 1 2 273.358 -1.252 20 30 CAEDLO C#CCC[NH+]1CC(O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001500823940 893763193 /nfs/dbraw/zinc/76/31/93/893763193.db2.gz VZHHTKAGRYXMGO-UHFFFAOYSA-N 1 2 279.340 -1.349 20 30 CAEDLO O=C(C#CC1CC1)NCC1(O)C[NH+](CCCO)C1 ZINC001500831788 893764265 /nfs/dbraw/zinc/76/42/65/893764265.db2.gz FAEQIFDFEZNSAI-UHFFFAOYSA-N 1 2 252.314 -1.055 20 30 CAEDLO C#CCO[C@@H](C)C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500834719 893767467 /nfs/dbraw/zinc/76/74/67/893767467.db2.gz VMOLYPFNYXBQNC-NSHDSACASA-N 1 2 270.329 -1.430 20 30 CAEDLO C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001500993707 893778243 /nfs/dbraw/zinc/77/82/43/893778243.db2.gz GBSBJRWLGAGGEY-JTQLQIEISA-N 1 2 295.339 -1.222 20 30 CAEDLO N#CCNCCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001501518604 893814632 /nfs/dbraw/zinc/81/46/32/893814632.db2.gz IAEZTCWHWCEZAT-UHFFFAOYSA-N 1 2 251.290 -1.183 20 30 CAEDLO C[C@@H](C#N)C(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001501605658 893816814 /nfs/dbraw/zinc/81/68/14/893816814.db2.gz QFPVOFBCXQHAAC-DTWKUNHWSA-N 1 2 279.300 -1.295 20 30 CAEDLO C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001501605660 893819571 /nfs/dbraw/zinc/81/95/71/893819571.db2.gz QFPVOFBCXQHAAC-RKDXNWHRSA-N 1 2 279.300 -1.295 20 30 CAEDLO C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001501605657 893819862 /nfs/dbraw/zinc/81/98/62/893819862.db2.gz QFPVOFBCXQHAAC-BDAKNGLRSA-N 1 2 279.300 -1.295 20 30 CAEDLO C#CCO[C@H](C)C(=O)NC1(CCO)C[NH+](C[C@@H](C)O)C1 ZINC001506096225 893920589 /nfs/dbraw/zinc/92/05/89/893920589.db2.gz GRYANXUCGSIECE-VXGBXAGGSA-N 1 2 284.356 -1.042 20 30 CAEDLO C#CCO[C@H](C)C(=O)NC1(CCO)C[NH+](C[C@H](C)O)C1 ZINC001506096223 893921589 /nfs/dbraw/zinc/92/15/89/893921589.db2.gz GRYANXUCGSIECE-NWDGAFQWSA-N 1 2 284.356 -1.042 20 30 CAEDLO C#CCOCCC(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1 ZINC001506620002 893936482 /nfs/dbraw/zinc/93/64/82/893936482.db2.gz IXDBAZIKNPDYKM-SNVBAGLBSA-N 1 2 267.329 -1.052 20 30 CAEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001506715921 893939358 /nfs/dbraw/zinc/93/93/58/893939358.db2.gz BVTMMYFUFQMOSF-SMDDNHRTSA-N 1 2 294.355 -1.020 20 30 CAEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C)NC(N)=O)C2)C1 ZINC001506715921 893939372 /nfs/dbraw/zinc/93/93/72/893939372.db2.gz BVTMMYFUFQMOSF-SMDDNHRTSA-N 1 2 294.355 -1.020 20 30 CAEDLO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]Cc1nnnn1C ZINC001507182771 893977957 /nfs/dbraw/zinc/97/79/57/893977957.db2.gz MRXJEYGUQANPQI-YUMQZZPRSA-N 1 2 267.293 -2.064 20 30 CAEDLO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001507182768 893979476 /nfs/dbraw/zinc/97/94/76/893979476.db2.gz MRXJEYGUQANPQI-HTQZYQBOSA-N 1 2 267.293 -2.064 20 30 CAEDLO C[C@@H](C#N)C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001507183699 893979507 /nfs/dbraw/zinc/97/95/07/893979507.db2.gz UUMBQBCRPPJFFA-JGVFFNPUSA-N 1 2 282.304 -2.165 20 30 CAEDLO CCCn1nnnc1C[NH2+][C@H](CO)CNC(=O)[C@@H](C)C#N ZINC001507180620 893980170 /nfs/dbraw/zinc/98/01/70/893980170.db2.gz WAANLTFEMMECGQ-UWVGGRQHSA-N 1 2 295.347 -1.191 20 30 CAEDLO C[C@H](C#N)C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001507183698 893980258 /nfs/dbraw/zinc/98/02/58/893980258.db2.gz UUMBQBCRPPJFFA-HTQZYQBOSA-N 1 2 282.304 -2.165 20 30 CAEDLO CCCn1nnnc1C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)C#N ZINC001507180621 893980347 /nfs/dbraw/zinc/98/03/47/893980347.db2.gz WAANLTFEMMECGQ-VHSXEESVSA-N 1 2 295.347 -1.191 20 30 CAEDLO N#Cc1ccccc1C[NH2+][C@H](CO)CNC(=O)C(N)=O ZINC001507231792 894012961 /nfs/dbraw/zinc/01/29/61/894012961.db2.gz JVTOZBJIVPAGEW-NSHDSACASA-N 1 2 276.296 -1.390 20 30 CAEDLO N#CCNC(=O)C[N@@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC001507348683 894038635 /nfs/dbraw/zinc/03/86/35/894038635.db2.gz QBFLITSFFRLHFH-TVQRCGJNSA-N 1 2 293.327 -1.775 20 30 CAEDLO N#CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC001507348683 894038653 /nfs/dbraw/zinc/03/86/53/894038653.db2.gz QBFLITSFFRLHFH-TVQRCGJNSA-N 1 2 293.327 -1.775 20 30 CAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC001507348682 894039578 /nfs/dbraw/zinc/03/95/78/894039578.db2.gz QBFLITSFFRLHFH-RNCFNFMXSA-N 1 2 293.327 -1.775 20 30 CAEDLO N#CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC001507348682 894039596 /nfs/dbraw/zinc/03/95/96/894039596.db2.gz QBFLITSFFRLHFH-RNCFNFMXSA-N 1 2 293.327 -1.775 20 30 CAEDLO C[C@H](C#N)C(=O)N[C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001511080894 894147616 /nfs/dbraw/zinc/14/76/16/894147616.db2.gz QWPBQTSLRMRHQP-RKDXNWHRSA-N 1 2 279.300 -1.295 20 30 CAEDLO C[C@H](C#N)C(=O)NC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001511099012 894148649 /nfs/dbraw/zinc/14/86/49/894148649.db2.gz WOWZYNMIVLVIDT-BDAKNGLRSA-N 1 2 279.300 -1.295 20 30 CAEDLO C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001513046312 894173002 /nfs/dbraw/zinc/17/30/02/894173002.db2.gz BQUKLZYUAFPZFQ-IVZWLZJFSA-N 1 2 291.311 -1.200 20 30 CAEDLO C#CC[NH+]1CCN(c2nnc(-c3nc(N)n[nH]3)n2C)CC1 ZINC001525505913 894289818 /nfs/dbraw/zinc/28/98/18/894289818.db2.gz WQNAZEBTWIMDHY-UHFFFAOYSA-N 1 2 287.331 -1.062 20 30 CAEDLO C[C@@H](CNC(=O)NCC#CCO)[NH+]1CCN(C)CC1 ZINC001527775232 894313712 /nfs/dbraw/zinc/31/37/12/894313712.db2.gz OHYIJNRRDMWJAC-LBPRGKRZSA-N 1 2 268.361 -1.083 20 30 CAEDLO C[C@H](C#N)C(=O)NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001533290984 894411561 /nfs/dbraw/zinc/41/15/61/894411561.db2.gz LRGVJPWSQRBKMC-ZJUUUORDSA-N 1 2 279.300 -1.364 20 30 CAEDLO C[C@H](C#N)C(=O)NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001533290981 894411706 /nfs/dbraw/zinc/41/17/06/894411706.db2.gz LRGVJPWSQRBKMC-NXEZZACHSA-N 1 2 279.300 -1.364 20 30 CAEDLO CNC(=O)C[N@H+]1CCCN(C(=O)C=NOC)CC1 ZINC001558460894 894618462 /nfs/dbraw/zinc/61/84/62/894618462.db2.gz ZTMGPMUYYDYLGA-UHFFFAOYSA-N 1 2 256.306 -1.101 20 30 CAEDLO CNC(=O)C[N@@H+]1CCCN(C(=O)C=NOC)CC1 ZINC001558460894 894618454 /nfs/dbraw/zinc/61/84/54/894618454.db2.gz ZTMGPMUYYDYLGA-UHFFFAOYSA-N 1 2 256.306 -1.101 20 30 CAEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001191777794 781919351 /nfs/dbraw/zinc/91/93/51/781919351.db2.gz PHCJMESJZIJOOC-GMTAPVOTSA-N 1 2 285.344 -1.386 20 30 CAEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@H]1O ZINC001191777794 781919343 /nfs/dbraw/zinc/91/93/43/781919343.db2.gz PHCJMESJZIJOOC-GMTAPVOTSA-N 1 2 285.344 -1.386 20 30 CAEDLO C=CCOCC(=O)N[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191771384 781920154 /nfs/dbraw/zinc/92/01/54/781920154.db2.gz MNNIHROUGMAUKV-GMTAPVOTSA-N 1 2 283.328 -1.761 20 30 CAEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1O ZINC001191771384 781920160 /nfs/dbraw/zinc/92/01/60/781920160.db2.gz MNNIHROUGMAUKV-GMTAPVOTSA-N 1 2 283.328 -1.761 20 30 CAEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191882409 781923047 /nfs/dbraw/zinc/92/30/47/781923047.db2.gz RRZDGHPPFKATOO-MVWJERBFSA-N 1 2 294.355 -1.166 20 30 CAEDLO C[C@@H](C#N)C(=O)N[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1O ZINC001191882409 781923058 /nfs/dbraw/zinc/92/30/58/781923058.db2.gz RRZDGHPPFKATOO-MVWJERBFSA-N 1 2 294.355 -1.166 20 30 CAEDLO COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001191944393 781925571 /nfs/dbraw/zinc/92/55/71/781925571.db2.gz BUSYGNJDUPOHSI-CHWSQXEVSA-N 1 2 292.339 -1.237 20 30 CAEDLO COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001191944393 781925579 /nfs/dbraw/zinc/92/55/79/781925579.db2.gz BUSYGNJDUPOHSI-CHWSQXEVSA-N 1 2 292.339 -1.237 20 30 CAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191995976 781927976 /nfs/dbraw/zinc/92/79/76/781927976.db2.gz XPDJUEPSKKUTAX-IVZWLZJFSA-N 1 2 296.327 -2.839 20 30 CAEDLO 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CAEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](C)OC)C1 ZINC001267674492 775282858 /nfs/dbraw/zinc/28/28/58/775282858.db2.gz PWOGJJBXDMEOHY-JTQLQIEISA-N 1 2 267.329 -1.181 20 30 CAEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)OC)C1 ZINC001267674494 775283988 /nfs/dbraw/zinc/28/39/88/775283988.db2.gz PWOGJJBXDMEOHY-SNVBAGLBSA-N 1 2 267.329 -1.181 20 30 CAEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001267687568 775285865 /nfs/dbraw/zinc/28/58/65/775285865.db2.gz HYFZVEYFVKFADO-JTQLQIEISA-N 1 2 294.355 -1.705 20 30 CAEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)CNC(C)=O ZINC001267709294 775288486 /nfs/dbraw/zinc/28/84/86/775288486.db2.gz QVKAHFSBQZTAGS-RYUDHWBXSA-N 1 2 292.339 -1.843 20 30 CAEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)CNC(C)=O ZINC001267709294 775288493 /nfs/dbraw/zinc/28/84/93/775288493.db2.gz QVKAHFSBQZTAGS-RYUDHWBXSA-N 1 2 292.339 -1.843 20 30 CAEDLO COCCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267723322 775290544 /nfs/dbraw/zinc/29/05/44/775290544.db2.gz 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ZINC001105217566 775316144 /nfs/dbraw/zinc/31/61/44/775316144.db2.gz DDMAPXCYJPCMSQ-UHFFFAOYSA-N 1 2 290.327 -1.480 20 30 CAEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn[nH]n3)C2)nn1 ZINC001105276805 775316921 /nfs/dbraw/zinc/31/69/21/775316921.db2.gz SITUUNDWQIDSBF-UHFFFAOYSA-N 1 2 286.299 -1.184 20 30 CAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001267962383 775320142 /nfs/dbraw/zinc/32/01/42/775320142.db2.gz KXGUJRRYRRZDSD-NXEZZACHSA-N 1 2 280.328 -1.810 20 30 CAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001267962383 775320153 /nfs/dbraw/zinc/32/01/53/775320153.db2.gz KXGUJRRYRRZDSD-NXEZZACHSA-N 1 2 280.328 -1.810 20 30 CAEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001125978666 775331930 /nfs/dbraw/zinc/33/19/30/775331930.db2.gz WKZSUBAJSGKTEB-UHFFFAOYSA-N 1 2 294.315 -2.546 20 30 CAEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001125978082 775332365 /nfs/dbraw/zinc/33/23/65/775332365.db2.gz LFPSCTCUDOEWLS-UHFFFAOYSA-N 1 2 275.312 -1.178 20 30 CAEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001125978804 775333417 /nfs/dbraw/zinc/33/34/17/775333417.db2.gz YSFBWCKSMDUBDA-UHFFFAOYSA-N 1 2 293.327 -1.023 20 30 CAEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001125998161 775336081 /nfs/dbraw/zinc/33/60/81/775336081.db2.gz LLEOJXTUCNYBRQ-UHFFFAOYSA-N 1 2 265.273 -1.585 20 30 CAEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001268234382 775385462 /nfs/dbraw/zinc/38/54/62/775385462.db2.gz XNWONVOXYNYOEC-LBPRGKRZSA-N 1 2 297.355 -1.459 20 30 CAEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001268234382 775385475 /nfs/dbraw/zinc/38/54/75/775385475.db2.gz XNWONVOXYNYOEC-LBPRGKRZSA-N 1 2 297.355 -1.459 20 30 CAEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C(N)=O ZINC001268247337 775389577 /nfs/dbraw/zinc/38/95/77/775389577.db2.gz PKPKEEXEUVELHP-SECBINFHSA-N 1 2 268.317 -2.000 20 30 CAEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C(N)=O ZINC001268247337 775389589 /nfs/dbraw/zinc/38/95/89/775389589.db2.gz PKPKEEXEUVELHP-SECBINFHSA-N 1 2 268.317 -2.000 20 30 CAEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(C)=O)[C@H](OC)C1 ZINC001211738965 775417463 /nfs/dbraw/zinc/41/74/63/775417463.db2.gz ZRNBZBKNELSRRN-MVWJERBFSA-N 1 2 267.329 -1.040 20 30 CAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(C)=O)[C@H](OC)C1 ZINC001211738965 775417466 /nfs/dbraw/zinc/41/74/66/775417466.db2.gz ZRNBZBKNELSRRN-MVWJERBFSA-N 1 2 267.329 -1.040 20 30 CAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1OC ZINC001212178061 775421588 /nfs/dbraw/zinc/42/15/88/775421588.db2.gz GZJXMOLFAQEPFG-JTNHKYCSSA-N 1 2 299.371 -1.125 20 30 CAEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1OC ZINC001212178061 775421595 /nfs/dbraw/zinc/42/15/95/775421595.db2.gz GZJXMOLFAQEPFG-JTNHKYCSSA-N 1 2 299.371 -1.125 20 30 CAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1OC ZINC001212178060 775422264 /nfs/dbraw/zinc/42/22/64/775422264.db2.gz GZJXMOLFAQEPFG-GYSYKLTISA-N 1 2 299.371 -1.125 20 30 CAEDLO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1OC ZINC001212178060 775422268 /nfs/dbraw/zinc/42/22/68/775422268.db2.gz GZJXMOLFAQEPFG-GYSYKLTISA-N 1 2 299.371 -1.125 20 30 CAEDLO N#CCNC(=O)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC001211778068 775424156 /nfs/dbraw/zinc/42/41/56/775424156.db2.gz BQDAAPRKHKFSQM-UHFFFAOYSA-N 1 2 271.302 -1.558 20 30 CAEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)CN(C)C(C)=O)C1 ZINC001268547842 775429757 /nfs/dbraw/zinc/42/97/57/775429757.db2.gz XCKCZIKWHITADK-UHFFFAOYSA-N 1 2 294.355 -1.738 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083330482 775434736 /nfs/dbraw/zinc/43/47/36/775434736.db2.gz XTCYLPJLSKKTRD-BDAKNGLRSA-N 1 2 250.262 -2.532 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083330482 775434739 /nfs/dbraw/zinc/43/47/39/775434739.db2.gz XTCYLPJLSKKTRD-BDAKNGLRSA-N 1 2 250.262 -2.532 20 30 CAEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)CNC(=O)CC)C1 ZINC001268813923 775476051 /nfs/dbraw/zinc/47/60/51/775476051.db2.gz 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262.269 -1.410 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001083555207 775767768 /nfs/dbraw/zinc/76/77/68/775767768.db2.gz RQEBRBJHTDBUST-ZJUUUORDSA-N 1 2 262.269 -1.410 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001076904185 775771800 /nfs/dbraw/zinc/77/18/00/775771800.db2.gz MPIMFGDDOSHXJZ-HBNTYKKESA-N 1 2 263.301 -1.366 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001076904185 775771811 /nfs/dbraw/zinc/77/18/11/775771811.db2.gz MPIMFGDDOSHXJZ-HBNTYKKESA-N 1 2 263.301 -1.366 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001076914429 775773119 /nfs/dbraw/zinc/77/31/19/775773119.db2.gz VVWLEABMJOCXCD-NXEZZACHSA-N 1 2 263.301 -1.590 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC001076914429 775773123 /nfs/dbraw/zinc/77/31/23/775773123.db2.gz VVWLEABMJOCXCD-NXEZZACHSA-N 1 2 263.301 -1.590 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001076931500 775776212 /nfs/dbraw/zinc/77/62/12/775776212.db2.gz KNFQJUGNEIPCMC-RKDXNWHRSA-N 1 2 265.269 -1.614 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 ZINC001076931500 775776218 /nfs/dbraw/zinc/77/62/18/775776218.db2.gz KNFQJUGNEIPCMC-RKDXNWHRSA-N 1 2 265.269 -1.614 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001076946633 775779834 /nfs/dbraw/zinc/77/98/34/775779834.db2.gz BZIXTKJTDIWHRP-HRDYMLBCSA-N 1 2 253.258 -2.111 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001076946633 775779840 /nfs/dbraw/zinc/77/98/40/775779840.db2.gz BZIXTKJTDIWHRP-HRDYMLBCSA-N 1 2 253.258 -2.111 20 30 CAEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001076960508 775780074 /nfs/dbraw/zinc/78/00/74/775780074.db2.gz HKGCRLFCRDXELM-MWLCHTKSSA-N 1 2 263.301 -1.387 20 30 CAEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001076960508 775780065 /nfs/dbraw/zinc/78/00/65/775780065.db2.gz HKGCRLFCRDXELM-MWLCHTKSSA-N 1 2 263.301 -1.387 20 30 CAEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001076950399 775780882 /nfs/dbraw/zinc/78/08/82/775780882.db2.gz SCBDSPJZAJPDJW-MWLCHTKSSA-N 1 2 263.301 -1.387 20 30 CAEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnnn2C)C1 ZINC001076950399 775780888 /nfs/dbraw/zinc/78/08/88/775780888.db2.gz SCBDSPJZAJPDJW-MWLCHTKSSA-N 1 2 263.301 -1.387 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001076960874 775783517 /nfs/dbraw/zinc/78/35/17/775783517.db2.gz YFJWUZPTMNNNKZ-NXEZZACHSA-N 1 2 264.285 -1.285 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001076960874 775783525 /nfs/dbraw/zinc/78/35/25/775783525.db2.gz YFJWUZPTMNNNKZ-NXEZZACHSA-N 1 2 264.285 -1.285 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001076995461 775788457 /nfs/dbraw/zinc/78/84/57/775788457.db2.gz BGHUBYMIPYQWQN-VXGBXAGGSA-N 1 2 289.339 -1.049 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 ZINC001076995461 775788462 /nfs/dbraw/zinc/78/84/62/775788462.db2.gz BGHUBYMIPYQWQN-VXGBXAGGSA-N 1 2 289.339 -1.049 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001077027053 775790315 /nfs/dbraw/zinc/79/03/15/775790315.db2.gz ZHQJQQULBRDQNK-RKDXNWHRSA-N 1 2 292.299 -2.829 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001077027053 775790324 /nfs/dbraw/zinc/79/03/24/775790324.db2.gz ZHQJQQULBRDQNK-RKDXNWHRSA-N 1 2 292.299 -2.829 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001077034108 775791302 /nfs/dbraw/zinc/79/13/02/775791302.db2.gz IQIPGIRJPPCVSY-NXEZZACHSA-N 1 2 292.343 -1.164 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001077034108 775791307 /nfs/dbraw/zinc/79/13/07/775791307.db2.gz IQIPGIRJPPCVSY-NXEZZACHSA-N 1 2 292.343 -1.164 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001077185024 775803128 /nfs/dbraw/zinc/80/31/28/775803128.db2.gz GOUQMMIFBKZCRH-RKDXNWHRSA-N 1 2 264.285 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775820678 /nfs/dbraw/zinc/82/06/78/775820678.db2.gz KZGQZFYQXLPPSG-GHMZBOCLSA-N 1 2 276.296 -1.107 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc(OC)n2)C1 ZINC001077365404 775820683 /nfs/dbraw/zinc/82/06/83/775820683.db2.gz KZGQZFYQXLPPSG-GHMZBOCLSA-N 1 2 276.296 -1.107 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001083578127 775825294 /nfs/dbraw/zinc/82/52/94/775825294.db2.gz WBOSGXDQAXZWAT-TUAOUCFPSA-N 1 2 279.340 -1.351 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001083578127 775825303 /nfs/dbraw/zinc/82/53/03/775825303.db2.gz WBOSGXDQAXZWAT-TUAOUCFPSA-N 1 2 279.340 -1.351 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001083607499 775833276 /nfs/dbraw/zinc/83/32/76/775833276.db2.gz AQTLNQQADNXZMJ-PWSUYJOCSA-N 1 2 290.323 -1.468 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)cn2C)[C@@H](O)C1 ZINC001083607499 775833286 /nfs/dbraw/zinc/83/32/86/775833286.db2.gz AQTLNQQADNXZMJ-PWSUYJOCSA-N 1 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ZINC001083627602 775839577 /nfs/dbraw/zinc/83/95/77/775839577.db2.gz GEPAHIRHNKPAFW-MNOVXSKESA-N 1 2 276.296 -1.107 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(OC)n2)[C@@H](O)C1 ZINC001083631760 775839599 /nfs/dbraw/zinc/83/95/99/775839599.db2.gz KZGQZFYQXLPPSG-MNOVXSKESA-N 1 2 276.296 -1.107 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(OC)n2)[C@@H](O)C1 ZINC001083631760 775839606 /nfs/dbraw/zinc/83/96/06/775839606.db2.gz KZGQZFYQXLPPSG-MNOVXSKESA-N 1 2 276.296 -1.107 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)[C@@H](O)C1 ZINC001083664306 775847604 /nfs/dbraw/zinc/84/76/04/775847604.db2.gz KXBHXYMQUAYUFJ-GBIKHYSHSA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CNC(=O)C2)[C@@H](O)C1 ZINC001083664306 775847614 /nfs/dbraw/zinc/84/76/14/775847614.db2.gz KXBHXYMQUAYUFJ-GBIKHYSHSA-N 1 2 265.313 -1.693 20 30 CAEDLO CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001077497890 775891300 /nfs/dbraw/zinc/89/13/00/775891300.db2.gz YLXMSIBRTRCFMT-NXEZZACHSA-N 1 2 263.301 -1.089 20 30 CAEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001077497890 775891311 /nfs/dbraw/zinc/89/13/11/775891311.db2.gz YLXMSIBRTRCFMT-NXEZZACHSA-N 1 2 263.301 -1.089 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2OC)C1 ZINC001077502741 775892891 /nfs/dbraw/zinc/89/28/91/775892891.db2.gz GXZILRBTUWVNJY-GHMZBOCLSA-N 1 2 278.312 -1.163 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2OC)C1 ZINC001077502741 775892898 /nfs/dbraw/zinc/89/28/98/775892898.db2.gz GXZILRBTUWVNJY-GHMZBOCLSA-N 1 2 278.312 -1.163 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2OC)[C@@H](O)C1 ZINC001083695061 775915285 /nfs/dbraw/zinc/91/52/85/775915285.db2.gz GXZILRBTUWVNJY-MNOVXSKESA-N 1 2 278.312 -1.163 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2OC)[C@@H](O)C1 ZINC001083695061 775915289 /nfs/dbraw/zinc/91/52/89/775915289.db2.gz GXZILRBTUWVNJY-MNOVXSKESA-N 1 2 278.312 -1.163 20 30 CAEDLO 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CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001077900566 776099611 /nfs/dbraw/zinc/09/96/11/776099611.db2.gz FJPLXPMRZSSFDR-VXGBXAGGSA-N 1 2 290.323 -1.088 20 30 CAEDLO CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001077900566 776099622 /nfs/dbraw/zinc/09/96/22/776099622.db2.gz FJPLXPMRZSSFDR-VXGBXAGGSA-N 1 2 290.323 -1.088 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](OC)C1 ZINC001212430187 776105928 /nfs/dbraw/zinc/10/59/28/776105928.db2.gz DLEVUDSPZKHWGR-NXEZZACHSA-N 1 2 267.329 -1.054 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](OC)C1 ZINC001212430187 776105934 /nfs/dbraw/zinc/10/59/34/776105934.db2.gz DLEVUDSPZKHWGR-NXEZZACHSA-N 1 2 267.329 -1.054 20 30 CAEDLO C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001077975287 776108069 /nfs/dbraw/zinc/10/80/69/776108069.db2.gz IOVFLUOKNYRAGI-RKDXNWHRSA-N 1 2 251.290 -1.306 20 30 CAEDLO C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001077975287 776108074 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288.307 -1.411 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001078267210 776138073 /nfs/dbraw/zinc/13/80/73/776138073.db2.gz YSRWIXAHTJDYGC-VXGBXAGGSA-N 1 2 288.307 -1.411 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001078298388 776139860 /nfs/dbraw/zinc/13/98/60/776139860.db2.gz FTXJPGCDTWQPPJ-VXGBXAGGSA-N 1 2 288.307 -1.411 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 ZINC001078298388 776139865 /nfs/dbraw/zinc/13/98/65/776139865.db2.gz FTXJPGCDTWQPPJ-VXGBXAGGSA-N 1 2 288.307 -1.411 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cncc(OC)n2)[C@@H](O)C1 ZINC001083836204 776186720 /nfs/dbraw/zinc/18/67/20/776186720.db2.gz NRYCCUMDRDCNDT-MNOVXSKESA-N 1 2 276.296 -1.107 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cncc(OC)n2)[C@@H](O)C1 ZINC001083836204 776186723 /nfs/dbraw/zinc/18/67/23/776186723.db2.gz NRYCCUMDRDCNDT-MNOVXSKESA-N 1 2 276.296 -1.107 20 30 CAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666466 776194966 /nfs/dbraw/zinc/19/49/66/776194966.db2.gz WRAWWSSJURWYIE-RKDXNWHRSA-N 1 2 290.751 -1.041 20 30 CAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099666466 776194971 /nfs/dbraw/zinc/19/49/71/776194971.db2.gz WRAWWSSJURWYIE-RKDXNWHRSA-N 1 2 290.751 -1.041 20 30 CAEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666465 776195388 /nfs/dbraw/zinc/19/53/88/776195388.db2.gz WRAWWSSJURWYIE-IUCAKERBSA-N 1 2 290.751 -1.041 20 30 CAEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666465 776195390 /nfs/dbraw/zinc/19/53/90/776195390.db2.gz WRAWWSSJURWYIE-IUCAKERBSA-N 1 2 290.751 -1.041 20 30 CAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)C)[C@H](O)C1 ZINC001099669738 776208728 /nfs/dbraw/zinc/20/87/28/776208728.db2.gz WYQOHEODPOTKNM-NWDGAFQWSA-N 1 2 281.356 -1.057 20 30 CAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)C)[C@H](O)C1 ZINC001099669738 776208736 /nfs/dbraw/zinc/20/87/36/776208736.db2.gz WYQOHEODPOTKNM-NWDGAFQWSA-N 1 2 281.356 -1.057 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128855089 776218521 /nfs/dbraw/zinc/21/85/21/776218521.db2.gz MJTXJMZLDYOSNH-ZJUUUORDSA-N 1 2 276.300 -1.872 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128855089 776218528 /nfs/dbraw/zinc/21/85/28/776218528.db2.gz MJTXJMZLDYOSNH-ZJUUUORDSA-N 1 2 276.300 -1.872 20 30 CAEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c[nH]1 ZINC001090195583 776221399 /nfs/dbraw/zinc/22/13/99/776221399.db2.gz VZNMNENZYYRCOF-MNOVXSKESA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c[nH]1 ZINC001090195583 776221405 /nfs/dbraw/zinc/22/14/05/776221405.db2.gz VZNMNENZYYRCOF-MNOVXSKESA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)c[nH]1 ZINC001090195588 776221775 /nfs/dbraw/zinc/22/17/75/776221775.db2.gz VZNMNENZYYRCOF-WDEREUQCSA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1cc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)c[nH]1 ZINC001090195588 776221780 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CAEDLO C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 ZINC001090233361 776234377 /nfs/dbraw/zinc/23/43/77/776234377.db2.gz GWVPBDRSTZUGGX-MNOVXSKESA-N 1 2 277.328 -1.160 20 30 CAEDLO C#CC[N@H+]1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 ZINC001090233362 776234642 /nfs/dbraw/zinc/23/46/42/776234642.db2.gz GWVPBDRSTZUGGX-QWRGUYRKSA-N 1 2 277.328 -1.160 20 30 CAEDLO C#CC[N@@H+]1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 ZINC001090233362 776234645 /nfs/dbraw/zinc/23/46/45/776234645.db2.gz GWVPBDRSTZUGGX-QWRGUYRKSA-N 1 2 277.328 -1.160 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869573 776249999 /nfs/dbraw/zinc/24/99/99/776249999.db2.gz NKBIBANKGFYMPK-BDAKNGLRSA-N 1 2 280.284 -2.667 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869573 776250007 /nfs/dbraw/zinc/25/00/07/776250007.db2.gz NKBIBANKGFYMPK-BDAKNGLRSA-N 1 2 280.284 -2.667 20 30 CAEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108168917 776257200 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C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001221456076 780421888 /nfs/dbraw/zinc/42/18/88/780421888.db2.gz GANXAVPDGNBQDO-GHMZBOCLSA-N 1 2 292.339 -1.856 20 30 CAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786382 780423183 /nfs/dbraw/zinc/42/31/83/780423183.db2.gz UCKXTPNJNHCCGN-NXEZZACHSA-N 1 2 280.328 -1.693 20 30 CAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221786382 780423186 /nfs/dbraw/zinc/42/31/86/780423186.db2.gz UCKXTPNJNHCCGN-NXEZZACHSA-N 1 2 280.328 -1.693 20 30 CAEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221781369 780423543 /nfs/dbraw/zinc/42/35/43/780423543.db2.gz UDLDALBKLOCEIR-GMTAPVOTSA-N 1 2 294.355 -1.305 20 30 CAEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221781369 780423545 /nfs/dbraw/zinc/42/35/45/780423545.db2.gz UDLDALBKLOCEIR-GMTAPVOTSA-N 1 2 294.355 -1.305 20 30 CAEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221780938 780423731 /nfs/dbraw/zinc/42/37/31/780423731.db2.gz BFYVMVVSKHUCRR-GMTAPVOTSA-N 1 2 292.339 -1.858 20 30 CAEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001221780938 780423733 /nfs/dbraw/zinc/42/37/33/780423733.db2.gz BFYVMVVSKHUCRR-GMTAPVOTSA-N 1 2 292.339 -1.858 20 30 CAEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230620751 780458059 /nfs/dbraw/zinc/45/80/59/780458059.db2.gz AMOHNISCBQHFPN-LBPRGKRZSA-N 1 2 296.371 -1.043 20 30 CAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CNC(C)=O ZINC001230620751 780458062 /nfs/dbraw/zinc/45/80/62/780458062.db2.gz AMOHNISCBQHFPN-LBPRGKRZSA-N 1 2 296.371 -1.043 20 30 CAEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231358719 780465883 /nfs/dbraw/zinc/46/58/83/780465883.db2.gz HTOSSXWFWKYGOH-WDEREUQCSA-N 1 2 294.355 -1.468 20 30 CAEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231358719 780465887 /nfs/dbraw/zinc/46/58/87/780465887.db2.gz HTOSSXWFWKYGOH-WDEREUQCSA-N 1 2 294.355 -1.468 20 30 CAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231399032 780467720 /nfs/dbraw/zinc/46/77/20/780467720.db2.gz VUHRKZJVSIYLRB-SNVBAGLBSA-N 1 2 282.344 -1.303 20 30 CAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(N)=O ZINC001231399032 780467722 /nfs/dbraw/zinc/46/77/22/780467722.db2.gz VUHRKZJVSIYLRB-SNVBAGLBSA-N 1 2 282.344 -1.303 20 30 CAEDLO C#CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](C)C(N)=O ZINC001233810329 780474845 /nfs/dbraw/zinc/47/48/45/780474845.db2.gz PBKYGTGIRYNYQC-MNOVXSKESA-N 1 2 294.355 -1.468 20 30 CAEDLO C#CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)C(N)=O ZINC001233810329 780474849 /nfs/dbraw/zinc/47/48/49/780474849.db2.gz PBKYGTGIRYNYQC-MNOVXSKESA-N 1 2 294.355 -1.468 20 30 CAEDLO C#CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001233810331 780475237 /nfs/dbraw/zinc/47/52/37/780475237.db2.gz PBKYGTGIRYNYQC-QWRGUYRKSA-N 1 2 294.355 -1.468 20 30 CAEDLO C#CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001233810331 780475240 /nfs/dbraw/zinc/47/52/40/780475240.db2.gz PBKYGTGIRYNYQC-QWRGUYRKSA-N 1 2 294.355 -1.468 20 30 CAEDLO C#CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC(=O)NC ZINC001233809989 780475342 /nfs/dbraw/zinc/47/53/42/780475342.db2.gz NJMPDBDCIUNRAN-NSHDSACASA-N 1 2 294.355 -1.595 20 30 CAEDLO C#CCNC(=O)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=O)NC ZINC001233809989 780475344 /nfs/dbraw/zinc/47/53/44/780475344.db2.gz NJMPDBDCIUNRAN-NSHDSACASA-N 1 2 294.355 -1.595 20 30 CAEDLO C#CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](C)C(N)=O ZINC001233810334 780475640 /nfs/dbraw/zinc/47/56/40/780475640.db2.gz PBKYGTGIRYNYQC-WDEREUQCSA-N 1 2 294.355 -1.468 20 30 CAEDLO C#CCNC(=O)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)C(N)=O ZINC001233810334 780475644 /nfs/dbraw/zinc/47/56/44/780475644.db2.gz PBKYGTGIRYNYQC-WDEREUQCSA-N 1 2 294.355 -1.468 20 30 CAEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(=O)NC ZINC001233881808 780477458 /nfs/dbraw/zinc/47/74/58/780477458.db2.gz TZCLDEKQDDKCLW-NSHDSACASA-N 1 2 294.355 -1.595 20 30 CAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC(=O)NC ZINC001233881808 780477461 /nfs/dbraw/zinc/47/74/61/780477461.db2.gz TZCLDEKQDDKCLW-NSHDSACASA-N 1 2 294.355 -1.595 20 30 CAEDLO C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(=O)NC ZINC001233897392 780478092 /nfs/dbraw/zinc/47/80/92/780478092.db2.gz GSNQPCJDAXIIJQ-NSHDSACASA-N 1 2 296.371 -1.043 20 30 CAEDLO C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC(=O)NC ZINC001233897392 780478096 /nfs/dbraw/zinc/47/80/96/780478096.db2.gz GSNQPCJDAXIIJQ-NSHDSACASA-N 1 2 296.371 -1.043 20 30 CAEDLO C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001278071517 780503756 /nfs/dbraw/zinc/50/37/56/780503756.db2.gz ODTKYZMEUVIZKH-WCQYABFASA-N 1 2 297.359 -1.291 20 30 CAEDLO C=C[C@](C)(O)CC(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC001278071518 780503824 /nfs/dbraw/zinc/50/38/24/780503824.db2.gz ODTKYZMEUVIZKH-YPMHNXCESA-N 1 2 297.359 -1.291 20 30 CAEDLO Cn1nnnc1C[NH2+][C@H](CO)CNC(=O)C#CC(C)(C)C ZINC001278077267 780504919 /nfs/dbraw/zinc/50/49/19/780504919.db2.gz HLVQOWQPZDFQHC-JTQLQIEISA-N 1 2 294.359 -1.174 20 30 CAEDLO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1nnnn1C ZINC001278130580 780508754 /nfs/dbraw/zinc/50/87/54/780508754.db2.gz WKASVTGLQAHDOZ-SECBINFHSA-N 1 2 282.348 -1.011 20 30 CAEDLO C=CC(C)(C)C(=O)NC[C@H](CO)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001278129545 780508852 /nfs/dbraw/zinc/50/88/52/780508852.db2.gz NWJKJGDEPXYYTR-SECBINFHSA-N 1 2 297.359 -1.113 20 30 CAEDLO COCC#CC[NH2+][C@@H](CO)CNC(=O)CCc1cnn[nH]1 ZINC001278155280 780511501 /nfs/dbraw/zinc/51/15/01/780511501.db2.gz OPVCIUVFNOLUOJ-GFCCVEGCSA-N 1 2 295.343 -1.546 20 30 CAEDLO CCOC(=O)C1=C(NS(=O)(=O)CC#N)C[NH2+]C1 ZINC001238779981 780522957 /nfs/dbraw/zinc/52/29/57/780522957.db2.gz FPAMWLFNBSBPSL-UHFFFAOYSA-N 1 2 259.287 -1.150 20 30 CAEDLO CCOC(=O)[C@@H](C#N)N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246285834 780550953 /nfs/dbraw/zinc/55/09/53/780550953.db2.gz BPJOTXINWWIRJS-XHNCKOQMSA-N 1 2 255.274 -1.065 20 30 CAEDLO CCOC(=O)[C@H](C#N)N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246285831 780551294 /nfs/dbraw/zinc/55/12/94/780551294.db2.gz BPJOTXINWWIRJS-CIUDSAMLSA-N 1 2 255.274 -1.065 20 30 CAEDLO COc1ccnc(C(=N)NC[C@@H](O)C[NH+]2CCOCC2)n1 ZINC001251038491 780572000 /nfs/dbraw/zinc/57/20/00/780572000.db2.gz XFKOMDPCCWGXKQ-SNVBAGLBSA-N 1 2 295.343 -1.116 20 30 CAEDLO CCOC(=O)[C@H](C#N)NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251044357 780572583 /nfs/dbraw/zinc/57/25/83/780572583.db2.gz XIDFNHPJQLHKSA-MNOVXSKESA-N 1 2 271.317 -1.276 20 30 CAEDLO N#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1 ZINC001278752334 780597553 /nfs/dbraw/zinc/59/75/53/780597553.db2.gz CYXLCNCYRJCURU-CYBMUJFWSA-N 1 2 280.328 -1.411 20 30 CAEDLO N#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C2CC2)C1 ZINC001278752334 780597561 /nfs/dbraw/zinc/59/75/61/780597561.db2.gz CYXLCNCYRJCURU-CYBMUJFWSA-N 1 2 280.328 -1.411 20 30 CAEDLO CCOC(=O)C[NH+]1CCC(N[C@H](C#N)C(N)=O)CC1 ZINC001254396642 780604513 /nfs/dbraw/zinc/60/45/13/780604513.db2.gz WXVFNJVJQHFJKU-SNVBAGLBSA-N 1 2 268.317 -1.019 20 30 CAEDLO C#CCO[C@@H](C)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001278863657 780613663 /nfs/dbraw/zinc/61/36/63/780613663.db2.gz NVBGCKCYIVCKAC-QWRGUYRKSA-N 1 2 270.329 -1.432 20 30 CAEDLO C#CCO[C@H](C)C(=O)NCC1(O)C[NH+](C[C@H](C)O)C1 ZINC001278863659 780613891 /nfs/dbraw/zinc/61/38/91/780613891.db2.gz NVBGCKCYIVCKAC-WDEREUQCSA-N 1 2 270.329 -1.432 20 30 CAEDLO C#CCO[C@@H](C)C(=O)NCC1(O)C[NH+](C[C@@H](C)O)C1 ZINC001278863655 780614164 /nfs/dbraw/zinc/61/41/64/780614164.db2.gz NVBGCKCYIVCKAC-MNOVXSKESA-N 1 2 270.329 -1.432 20 30 CAEDLO C=CCC[NH+]1CC(O)(CNC(=O)c2nnn(C)n2)C1 ZINC001278900041 780619861 /nfs/dbraw/zinc/61/98/61/780619861.db2.gz MNXWTJWYVJIDPQ-UHFFFAOYSA-N 1 2 266.305 -1.437 20 30 CAEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001278907693 780620181 /nfs/dbraw/zinc/62/01/81/780620181.db2.gz RLHMLSPBWORTJQ-UHFFFAOYSA-N 1 2 290.323 -1.087 20 30 CAEDLO C#CCC[NH+]1CC(O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001278932723 780623726 /nfs/dbraw/zinc/62/37/26/780623726.db2.gz YZOAPGOCEWURRQ-UHFFFAOYSA-N 1 2 290.323 -1.087 20 30 CAEDLO CN(CC[NH+]1CCOCC1)C(=O)NCC(=O)NCC#N ZINC001261100699 780657728 /nfs/dbraw/zinc/65/77/28/780657728.db2.gz YFPJYQOXYLOOFO-UHFFFAOYSA-N 1 2 283.332 -1.400 20 30 CAEDLO C#CC[NH+]1CCN(c2nnc(-c3nn[nH]n3)n2C)CC1 ZINC001262852126 780718129 /nfs/dbraw/zinc/71/81/29/780718129.db2.gz GVNFNNDFMBUIOO-UHFFFAOYSA-N 1 2 273.304 -1.250 20 30 CAEDLO C#CCC[N@H+]1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 ZINC001264312182 780736395 /nfs/dbraw/zinc/73/63/95/780736395.db2.gz ZWQFNQKUGKBZRX-MNOVXSKESA-N 1 2 288.369 -1.394 20 30 CAEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](O)C1 ZINC001264312182 780736400 /nfs/dbraw/zinc/73/64/00/780736400.db2.gz ZWQFNQKUGKBZRX-MNOVXSKESA-N 1 2 288.369 -1.394 20 30 CAEDLO C#CCN1CC[NH+](CCNC(=O)Cn2cncn2)CC1 ZINC001265266460 780744908 /nfs/dbraw/zinc/74/49/08/780744908.db2.gz NWMLDQITDFJCOS-UHFFFAOYSA-N 1 2 276.344 -1.355 20 30 CAEDLO C#CCNC(=O)CN1CC[NH+](CCNC(C)=O)CC1 ZINC001265254421 780745275 /nfs/dbraw/zinc/74/52/75/780745275.db2.gz LECFCSHINMTXEA-UHFFFAOYSA-N 1 2 266.345 -1.511 20 30 CAEDLO CC#CCN1CC[NH+](CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001265262752 780745704 /nfs/dbraw/zinc/74/57/04/780745704.db2.gz IEZVNKILCLPDIQ-GFCCVEGCSA-N 1 2 293.371 -1.575 20 30 CAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001265303587 780746119 /nfs/dbraw/zinc/74/61/19/780746119.db2.gz LAYGLNHKQAGKPP-MXWKQRLJSA-N 1 2 294.355 -1.400 20 30 CAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001265303587 780746127 /nfs/dbraw/zinc/74/61/27/780746127.db2.gz LAYGLNHKQAGKPP-MXWKQRLJSA-N 1 2 294.355 -1.400 20 30 CAEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001265284532 780746441 /nfs/dbraw/zinc/74/64/41/780746441.db2.gz RPSFNKDSCHCILL-SNVBAGLBSA-N 1 2 293.331 -1.834 20 30 CAEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001265284532 780746447 /nfs/dbraw/zinc/74/64/47/780746447.db2.gz RPSFNKDSCHCILL-SNVBAGLBSA-N 1 2 293.331 -1.834 20 30 CAEDLO 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265.313 -1.693 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001077174746 775799039 /nfs/dbraw/zinc/79/90/39/775799039.db2.gz SOMXXHPAARSXFA-GMTAPVOTSA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1 ZINC001077197005 775803960 /nfs/dbraw/zinc/80/39/60/775803960.db2.gz UYDZYSYDNJJMPB-DGCLKSJQSA-N 1 2 292.339 -1.062 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1 ZINC001077197005 775803965 /nfs/dbraw/zinc/80/39/65/775803965.db2.gz UYDZYSYDNJJMPB-DGCLKSJQSA-N 1 2 292.339 -1.062 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001077222650 775804554 /nfs/dbraw/zinc/80/45/54/775804554.db2.gz VVEKISLMBUHAKF-GYSYKLTISA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001077222650 775804565 /nfs/dbraw/zinc/80/45/65/775804565.db2.gz VVEKISLMBUHAKF-GYSYKLTISA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 ZINC001083569747 775807969 /nfs/dbraw/zinc/80/79/69/775807969.db2.gz KSNMAXHYUGNKDW-PWSUYJOCSA-N 1 2 290.323 -1.179 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@@H](O)C1 ZINC001083569747 775807975 /nfs/dbraw/zinc/80/79/75/775807975.db2.gz KSNMAXHYUGNKDW-PWSUYJOCSA-N 1 2 290.323 -1.179 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001077336890 775818761 /nfs/dbraw/zinc/81/87/61/775818761.db2.gz PWOGTHITKKNRSN-IJLUTSLNSA-N 1 2 294.355 -1.428 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001077336890 775818770 /nfs/dbraw/zinc/81/87/70/775818770.db2.gz PWOGTHITKKNRSN-IJLUTSLNSA-N 1 2 294.355 -1.428 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001077359061 775821145 /nfs/dbraw/zinc/82/11/45/775821145.db2.gz TUFJHDZFUYSBLR-NXEZZACHSA-N 1 2 286.295 -1.239 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccnc3n[nH]nc32)C1 ZINC001077359061 775821150 /nfs/dbraw/zinc/82/11/50/775821150.db2.gz 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C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001083578128 775827214 /nfs/dbraw/zinc/82/72/14/775827214.db2.gz WBOSGXDQAXZWAT-UTUOFQBUSA-N 1 2 279.340 -1.351 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)NC2)[C@@H](O)C1 ZINC001083593710 775827856 /nfs/dbraw/zinc/82/78/56/775827856.db2.gz WNOUYFQZXLUFOP-AXFHLTTASA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(=O)NC2)[C@@H](O)C1 ZINC001083593710 775827867 /nfs/dbraw/zinc/82/78/67/775827867.db2.gz WNOUYFQZXLUFOP-AXFHLTTASA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)[C@@H](O)C1 ZINC001083618773 775834905 /nfs/dbraw/zinc/83/49/05/775834905.db2.gz PWOGTHITKKNRSN-UTUOFQBUSA-N 1 2 294.355 -1.428 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)[C@@H](O)C1 ZINC001083618773 775834914 /nfs/dbraw/zinc/83/49/14/775834914.db2.gz PWOGTHITKKNRSN-UTUOFQBUSA-N 1 2 294.355 -1.428 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 ZINC001083626328 775837600 /nfs/dbraw/zinc/83/76/00/775837600.db2.gz RCHXCJTYLREVLL-BDAKNGLRSA-N 1 2 277.280 -1.213 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C(N)=O)o2)[C@@H](O)C1 ZINC001083626328 775837608 /nfs/dbraw/zinc/83/76/08/775837608.db2.gz RCHXCJTYLREVLL-BDAKNGLRSA-N 1 2 277.280 -1.213 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 ZINC001083630214 775838659 /nfs/dbraw/zinc/83/86/59/775838659.db2.gz INKPFLLTCHGWMD-OLZOCXBDSA-N 1 2 292.339 -1.062 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CCOC)n2)[C@@H](O)C1 ZINC001083630214 775838668 /nfs/dbraw/zinc/83/86/68/775838668.db2.gz INKPFLLTCHGWMD-OLZOCXBDSA-N 1 2 292.339 -1.062 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001077434146 775839365 /nfs/dbraw/zinc/83/93/65/775839365.db2.gz KXBHXYMQUAYUFJ-GIPNMCIBSA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001077434146 775839373 /nfs/dbraw/zinc/83/93/73/775839373.db2.gz KXBHXYMQUAYUFJ-GIPNMCIBSA-N 1 2 265.313 -1.693 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001083639663 775841436 /nfs/dbraw/zinc/84/14/36/775841436.db2.gz BANYRVBRXGKFIL-MNOVXSKESA-N 1 2 286.295 -1.468 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@@H](O)C1 ZINC001083639663 775841442 /nfs/dbraw/zinc/84/14/42/775841442.db2.gz BANYRVBRXGKFIL-MNOVXSKESA-N 1 2 286.295 -1.468 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001077448835 775853373 /nfs/dbraw/zinc/85/33/73/775853373.db2.gz JHWYRGYWBZNZOH-IJLUTSLNSA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001077448835 775853375 /nfs/dbraw/zinc/85/33/75/775853375.db2.gz JHWYRGYWBZNZOH-IJLUTSLNSA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001077448836 775853482 /nfs/dbraw/zinc/85/34/82/775853482.db2.gz JHWYRGYWBZNZOH-QJPTWQEYSA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001077448836 775853491 /nfs/dbraw/zinc/85/34/91/775853491.db2.gz JHWYRGYWBZNZOH-QJPTWQEYSA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077506689 775894421 /nfs/dbraw/zinc/89/44/21/775894421.db2.gz HQOXXLJONPLMQA-OPRDCNLKSA-N 1 2 251.286 -2.083 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077506689 775894426 /nfs/dbraw/zinc/89/44/26/775894426.db2.gz HQOXXLJONPLMQA-OPRDCNLKSA-N 1 2 251.286 -2.083 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001077503994 775895745 /nfs/dbraw/zinc/89/57/45/775895745.db2.gz QBGHREVOBSRGJN-GHMZBOCLSA-N 1 2 286.295 -1.468 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 ZINC001077503994 775895751 /nfs/dbraw/zinc/89/57/51/775895751.db2.gz QBGHREVOBSRGJN-GHMZBOCLSA-N 1 2 286.295 -1.468 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001077511244 775902685 /nfs/dbraw/zinc/90/26/85/775902685.db2.gz FREPLLASCXGZAB-OPRDCNLKSA-N 1 2 266.301 -2.196 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001077511244 775902687 /nfs/dbraw/zinc/90/26/87/775902687.db2.gz FREPLLASCXGZAB-OPRDCNLKSA-N 1 2 266.301 -2.196 20 30 CAEDLO C#CCN1C(=O)COCC12C[NH+](C[C@@H]1CCC(=O)N1)C2 ZINC001272525448 775928602 /nfs/dbraw/zinc/92/86/02/775928602.db2.gz SYFYGIAJCTXRCQ-NSHDSACASA-N 1 2 277.324 -1.189 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526633 775939063 /nfs/dbraw/zinc/93/90/63/775939063.db2.gz SUKQWXXGVLDPQZ-HTQZYQBOSA-N 1 2 250.262 -2.382 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526633 775939069 /nfs/dbraw/zinc/93/90/69/775939069.db2.gz SUKQWXXGVLDPQZ-HTQZYQBOSA-N 1 2 250.262 -2.382 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@@H](O)C1 ZINC001083715862 775940563 /nfs/dbraw/zinc/94/05/63/775940563.db2.gz DRRVITFKFCWDJB-UHIISALHSA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCC(=O)NC2)[C@@H](O)C1 ZINC001083715862 775940568 /nfs/dbraw/zinc/94/05/68/775940568.db2.gz DRRVITFKFCWDJB-UHIISALHSA-N 1 2 279.340 -1.303 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001083716680 775940819 /nfs/dbraw/zinc/94/08/19/775940819.db2.gz LXSXIYDLLQLNHT-ZJUUUORDSA-N 1 2 276.296 -1.101 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)nc[nH]c2=O)[C@@H](O)C1 ZINC001083716680 775940829 /nfs/dbraw/zinc/94/08/29/775940829.db2.gz LXSXIYDLLQLNHT-ZJUUUORDSA-N 1 2 276.296 -1.101 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740947 775967223 /nfs/dbraw/zinc/96/72/23/775967223.db2.gz UNPKHQSCPOAWAV-HLTSFMKQSA-N 1 2 252.274 -2.538 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740947 775967230 /nfs/dbraw/zinc/96/72/30/775967230.db2.gz UNPKHQSCPOAWAV-HLTSFMKQSA-N 1 2 252.274 -2.538 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740948 775968298 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289.339 -1.296 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001078027631 776114841 /nfs/dbraw/zinc/11/48/41/776114841.db2.gz ABAFICMWBVJOJO-IVZWLZJFSA-N 1 2 251.286 -1.941 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001078027631 776114845 /nfs/dbraw/zinc/11/48/45/776114845.db2.gz ABAFICMWBVJOJO-IVZWLZJFSA-N 1 2 251.286 -1.941 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001078088414 776118009 /nfs/dbraw/zinc/11/80/09/776118009.db2.gz QXACEDNJPNAFGH-YNEHKIRRSA-N 1 2 279.340 -1.351 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001078088414 776118014 /nfs/dbraw/zinc/11/80/14/776118014.db2.gz QXACEDNJPNAFGH-YNEHKIRRSA-N 1 2 279.340 -1.351 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001078098989 776118331 /nfs/dbraw/zinc/11/83/31/776118331.db2.gz OWFQRZNKCJKENP-GRYCIOLGSA-N 1 2 279.340 -1.208 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001078098989 776118336 /nfs/dbraw/zinc/11/83/36/776118336.db2.gz OWFQRZNKCJKENP-GRYCIOLGSA-N 1 2 279.340 -1.208 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001078105584 776118366 /nfs/dbraw/zinc/11/83/66/776118366.db2.gz GSCFTAJCPOTRTG-UPJWGTAASA-N 1 2 295.339 -1.972 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)=O)CCO2)C1 ZINC001078105584 776118372 /nfs/dbraw/zinc/11/83/72/776118372.db2.gz GSCFTAJCPOTRTG-UPJWGTAASA-N 1 2 295.339 -1.972 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001078153847 776128197 /nfs/dbraw/zinc/12/81/97/776128197.db2.gz GTDVPOBEQPGDRA-VXGBXAGGSA-N 1 2 294.355 -1.428 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 ZINC001078153847 776128204 /nfs/dbraw/zinc/12/82/04/776128204.db2.gz GTDVPOBEQPGDRA-VXGBXAGGSA-N 1 2 294.355 -1.428 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001078185631 776129634 /nfs/dbraw/zinc/12/96/34/776129634.db2.gz FZOYLOUCKWNDEV-GHMZBOCLSA-N 1 2 276.296 -1.478 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001078185631 776129642 /nfs/dbraw/zinc/12/96/42/776129642.db2.gz FZOYLOUCKWNDEV-GHMZBOCLSA-N 1 2 276.296 -1.478 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001078199411 776131872 /nfs/dbraw/zinc/13/18/72/776131872.db2.gz GRCVMWJAZLCOIV-JHJVBQTASA-N 1 2 295.339 -1.972 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001078199411 776131878 /nfs/dbraw/zinc/13/18/78/776131878.db2.gz GRCVMWJAZLCOIV-JHJVBQTASA-N 1 2 295.339 -1.972 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001078246307 776135315 /nfs/dbraw/zinc/13/53/15/776135315.db2.gz VOJPTVIUBWUNAO-VXGBXAGGSA-N 1 2 288.307 -1.411 20 30 CAEDLO C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 ZINC001078246307 776135321 /nfs/dbraw/zinc/13/53/21/776135321.db2.gz VOJPTVIUBWUNAO-VXGBXAGGSA-N 1 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ZINC001212497427 776165642 /nfs/dbraw/zinc/16/56/42/776165642.db2.gz MVNGMZQKNPKGIT-RKDXNWHRSA-N 1 2 289.282 -1.184 20 30 CAEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COCC)[C@H](O)C1 ZINC001099648929 776172375 /nfs/dbraw/zinc/17/23/75/776172375.db2.gz ZXOMYMRFLTXFMM-NWDGAFQWSA-N 1 2 297.355 -1.676 20 30 CAEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COCC)[C@H](O)C1 ZINC001099648929 776172380 /nfs/dbraw/zinc/17/23/80/776172380.db2.gz ZXOMYMRFLTXFMM-NWDGAFQWSA-N 1 2 297.355 -1.676 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC=C)nn2)[C@@H](O)C1 ZINC001083844280 776190382 /nfs/dbraw/zinc/19/03/82/776190382.db2.gz YKWOZTVNLRZMLM-PWSUYJOCSA-N 1 2 275.312 -1.128 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(CC=C)nn2)[C@@H](O)C1 ZINC001083844280 776190386 /nfs/dbraw/zinc/19/03/86/776190386.db2.gz YKWOZTVNLRZMLM-PWSUYJOCSA-N 1 2 275.312 -1.128 20 30 CAEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666463 776195392 /nfs/dbraw/zinc/19/53/92/776195392.db2.gz WRAWWSSJURWYIE-BDAKNGLRSA-N 1 2 290.751 -1.041 20 30 CAEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099666463 776195393 /nfs/dbraw/zinc/19/53/93/776195393.db2.gz WRAWWSSJURWYIE-BDAKNGLRSA-N 1 2 290.751 -1.041 20 30 CAEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001099669737 776209287 /nfs/dbraw/zinc/20/92/87/776209287.db2.gz WYQOHEODPOTKNM-NEPJUHHUSA-N 1 2 281.356 -1.057 20 30 CAEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)C)[C@@H](O)C1 ZINC001099669737 776209293 /nfs/dbraw/zinc/20/92/93/776209293.db2.gz WYQOHEODPOTKNM-NEPJUHHUSA-N 1 2 281.356 -1.057 20 30 CAEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090177218 776217632 /nfs/dbraw/zinc/21/76/32/776217632.db2.gz DHXREFXYIDOENV-ONGXEEELSA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)c1 ZINC001090177218 776217637 /nfs/dbraw/zinc/21/76/37/776217637.db2.gz DHXREFXYIDOENV-ONGXEEELSA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090202538 776223194 /nfs/dbraw/zinc/22/31/94/776223194.db2.gz ZGZMDYZAKRXCQG-GXSJLCMTSA-N 1 2 291.311 -1.463 20 30 CAEDLO N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2O)[nH]1 ZINC001090202538 776223197 /nfs/dbraw/zinc/22/31/97/776223197.db2.gz ZGZMDYZAKRXCQG-GXSJLCMTSA-N 1 2 291.311 -1.463 20 30 CAEDLO C#CC[N@H+]1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@H](O)C1 ZINC001090233363 776234016 /nfs/dbraw/zinc/23/40/16/776234016.db2.gz GWVPBDRSTZUGGX-WDEREUQCSA-N 1 2 277.328 -1.160 20 30 CAEDLO C#CC[N@@H+]1CC[C@H](NC(=O)Cc2n[nH]c(C)n2)[C@H](O)C1 ZINC001090233363 776234020 /nfs/dbraw/zinc/23/40/20/776234020.db2.gz GWVPBDRSTZUGGX-WDEREUQCSA-N 1 2 277.328 -1.160 20 30 CAEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001108168916 776257472 /nfs/dbraw/zinc/25/74/72/776257472.db2.gz HXDDWSCTHINUSI-BXUZGUMPSA-N 1 2 294.355 -1.102 20 30 CAEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001108168916 776257479 /nfs/dbraw/zinc/25/74/79/776257479.db2.gz HXDDWSCTHINUSI-BXUZGUMPSA-N 1 2 294.355 -1.102 20 30 CAEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108168919 776257892 /nfs/dbraw/zinc/25/78/92/776257892.db2.gz HXDDWSCTHINUSI-SMDDNHRTSA-N 1 2 294.355 -1.102 20 30 CAEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001108168919 776257896 /nfs/dbraw/zinc/25/78/96/776257896.db2.gz HXDDWSCTHINUSI-SMDDNHRTSA-N 1 2 294.355 -1.102 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001083877426 776261525 /nfs/dbraw/zinc/26/15/25/776261525.db2.gz XCQXCUWROHHBNI-ZJUUUORDSA-N 1 2 286.295 -1.468 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@@H](O)C1 ZINC001083877426 776261526 /nfs/dbraw/zinc/26/15/26/776261526.db2.gz XCQXCUWROHHBNI-ZJUUUORDSA-N 1 2 286.295 -1.468 20 30 CAEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(N)=O)C1 ZINC001108175144 776263292 /nfs/dbraw/zinc/26/32/92/776263292.db2.gz RGPWEKPJIHVUTK-GFCCVEGCSA-N 1 2 253.302 -1.298 20 30 CAEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(N)=O)C1 ZINC001108175144 776263293 /nfs/dbraw/zinc/26/32/93/776263293.db2.gz RGPWEKPJIHVUTK-GFCCVEGCSA-N 1 2 253.302 -1.298 20 30 CAEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001083895032 776282214 /nfs/dbraw/zinc/28/22/14/776282214.db2.gz FJPLXPMRZSSFDR-NEPJUHHUSA-N 1 2 290.323 -1.088 20 30 CAEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001083895032 776282221 /nfs/dbraw/zinc/28/22/21/776282221.db2.gz FJPLXPMRZSSFDR-NEPJUHHUSA-N 1 2 290.323 -1.088 20 30 CAEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001083896051 776282442 /nfs/dbraw/zinc/28/24/42/776282442.db2.gz SQYHVPQYSMLZCA-MNOVXSKESA-N 1 2 276.296 -1.478 20 30 CAEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@@H](O)C1 ZINC001083896051 776282454 /nfs/dbraw/zinc/28/24/54/776282454.db2.gz SQYHVPQYSMLZCA-MNOVXSKESA-N 1 2 276.296 -1.478 20 30 CAEDLO C=CC[N@@H+]1CC[C@H](NC(=O)C2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001090292325 776283424 /nfs/dbraw/zinc/28/34/24/776283424.db2.gz OCPSUCDLVKYKIB-QWRGUYRKSA-N 1 2 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