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N#CCN1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](O)C1 ZINC000958499012 656972317 /nfs/dbraw/zinc/97/23/17/656972317.db2.gz KAOJZTMUVZNJRD-HTQZYQBOSA-N 0 1 250.262 -1.649 20 30 CAEDMN N#CCN1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](O)C1 ZINC000958499012 656972321 /nfs/dbraw/zinc/97/23/21/656972321.db2.gz KAOJZTMUVZNJRD-HTQZYQBOSA-N 0 1 250.262 -1.649 20 30 CAEDMN C[C@H](C#N)C(=O)N1CCOC[C@H]1CNC(=O)c1cnn[nH]1 ZINC000964248040 657029024 /nfs/dbraw/zinc/02/90/24/657029024.db2.gz OHLKSYUQFPWKBJ-RKDXNWHRSA-N 0 1 292.299 -1.078 20 30 CAEDMN O=C(C#CC1CC1)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](O)C1 ZINC000968694207 657057976 /nfs/dbraw/zinc/05/79/76/657057976.db2.gz BONQVTDZDFOQCK-MNOVXSKESA-N 0 1 289.295 -1.480 20 30 CAEDMN CC#CCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014509744 657148472 /nfs/dbraw/zinc/14/84/72/657148472.db2.gz UGUZZHHGNYEUSU-JTQLQIEISA-N 0 1 290.327 -1.409 20 30 CAEDMN C=CCN1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014638843 657151247 /nfs/dbraw/zinc/15/12/47/657151247.db2.gz MKSOKUNPLVNDMH-LLVKDONJSA-N 0 1 292.339 -1.077 20 30 CAEDMN CC#CCN1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001014774984 657154166 /nfs/dbraw/zinc/15/41/66/657154166.db2.gz KYCNTLIPCCZTBC-ZJUUUORDSA-N 0 1 278.312 -1.202 20 30 CAEDMN C#CC[N@H+]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015110991 657160443 /nfs/dbraw/zinc/16/04/43/657160443.db2.gz ZWCUTNKWEYOTFL-SSDOTTSWSA-N 0 1 263.257 -1.280 20 30 CAEDMN C#CC[N@@H+]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001015110991 657160444 /nfs/dbraw/zinc/16/04/44/657160444.db2.gz ZWCUTNKWEYOTFL-SSDOTTSWSA-N 0 1 263.257 -1.280 20 30 CAEDMN CC#CCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015508671 657170054 /nfs/dbraw/zinc/17/00/54/657170054.db2.gz JUAGSMSXAKARGD-LBPRGKRZSA-N 0 1 278.356 -1.368 20 30 CAEDMN CC#CCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865311 657191501 /nfs/dbraw/zinc/19/15/01/657191501.db2.gz VUYPCLVMHHXAOX-SNVBAGLBSA-N 0 1 278.312 -1.248 20 30 CAEDMN CC#CC[N@H+]1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016109972 657197794 /nfs/dbraw/zinc/19/77/94/657197794.db2.gz HCPAGXVGSZCTPT-VIFPVBQESA-N 0 1 279.300 -1.097 20 30 CAEDMN C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016109704 657198221 /nfs/dbraw/zinc/19/82/21/657198221.db2.gz FQDIYWFISWJYMF-SECBINFHSA-N 0 1 279.300 -1.097 20 30 CAEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016109706 657199000 /nfs/dbraw/zinc/19/90/00/657199000.db2.gz FQDIYWFISWJYMF-VIFPVBQESA-N 0 1 279.300 -1.097 20 30 CAEDMN C#CC[N@H+]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016110185 657199032 /nfs/dbraw/zinc/19/90/32/657199032.db2.gz IUQJIKGPENDMGZ-MRVPVSSYSA-N 0 1 265.273 -1.487 20 30 CAEDMN C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001016110185 657199034 /nfs/dbraw/zinc/19/90/34/657199034.db2.gz IUQJIKGPENDMGZ-MRVPVSSYSA-N 0 1 265.273 -1.487 20 30 CAEDMN CC#CCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016199345 657201951 /nfs/dbraw/zinc/20/19/51/657201951.db2.gz JLMRHZHULNSWDM-JTQLQIEISA-N 0 1 278.312 -1.248 20 30 CAEDMN C=CCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016203799 657203251 /nfs/dbraw/zinc/20/32/51/657203251.db2.gz VQWSDKDZMNVXDC-VIFPVBQESA-N 0 1 266.301 -1.085 20 30 CAEDMN C#CCCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341606 657209607 /nfs/dbraw/zinc/20/96/07/657209607.db2.gz RCMDAHQESSIQJH-SNVBAGLBSA-N 0 1 290.327 -1.409 20 30 CAEDMN C=CCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016337980 657209627 /nfs/dbraw/zinc/20/96/27/657209627.db2.gz CIGWZYJHPUCERG-SECBINFHSA-N 0 1 278.316 -1.247 20 30 CAEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016429057 657210492 /nfs/dbraw/zinc/21/04/92/657210492.db2.gz BZRJDRBUAXNDNC-UWVGGRQHSA-N 0 1 263.297 -1.137 20 30 CAEDMN C#CC[NH2+][C@H]1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001019650901 657276653 /nfs/dbraw/zinc/27/66/53/657276653.db2.gz UAJOXOSBXRWYJV-VIFPVBQESA-N 0 1 286.295 -1.145 20 30 CAEDMN CCC[C@H](CC)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001257246105 782190948 /nfs/dbraw/zinc/19/09/48/782190948.db2.gz 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COCC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC1=O ZINC001114679379 782209875 /nfs/dbraw/zinc/20/98/75/782209875.db2.gz XIOXEYOBZDAFKG-NDBYEHHHSA-N 0 1 291.351 -1.181 20 30 CAEDMN C#CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752817 782211172 /nfs/dbraw/zinc/21/11/72/782211172.db2.gz LNBVMQKFJBTQBB-AXTSPUMRSA-N 0 1 278.312 -2.344 20 30 CAEDMN C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114754617 782212644 /nfs/dbraw/zinc/21/26/44/782212644.db2.gz FDHVGNSYUWQTSB-IMSYWVGJSA-N 0 1 280.328 -1.791 20 30 CAEDMN C=CCC[C@@H](C)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001258718146 782217060 /nfs/dbraw/zinc/21/70/60/782217060.db2.gz HZCXMTLPNQIXOT-IYKVGLELSA-N 0 1 261.318 -1.427 20 30 CAEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001114888618 782223486 /nfs/dbraw/zinc/22/34/86/782223486.db2.gz KVWCOIBRMBBZPG-WYUUTHIRSA-N 0 1 299.396 -1.006 20 30 CAEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001114933122 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