smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001077129047 805687820 /nfs/dbraw/zinc/68/78/20/805687820.db2.gz QYYBSYGNLFXOBD-RRFJBIMHSA-N 2 2 293.411 -0.241 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077129047 805687825 /nfs/dbraw/zinc/68/78/25/805687825.db2.gz QYYBSYGNLFXOBD-RRFJBIMHSA-N 2 2 293.411 -0.241 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077129047 805687830 /nfs/dbraw/zinc/68/78/30/805687830.db2.gz QYYBSYGNLFXOBD-RRFJBIMHSA-N 2 2 293.411 -0.241 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077129047 805687835 /nfs/dbraw/zinc/68/78/35/805687835.db2.gz QYYBSYGNLFXOBD-RRFJBIMHSA-N 2 2 293.411 -0.241 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077394913 805725545 /nfs/dbraw/zinc/72/55/45/805725545.db2.gz KCCFIQFOOSNDEX-VXGBXAGGSA-N 2 2 264.329 -0.461 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077394913 805725551 /nfs/dbraw/zinc/72/55/51/805725551.db2.gz KCCFIQFOOSNDEX-VXGBXAGGSA-N 2 2 264.329 -0.461 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077613089 805757011 /nfs/dbraw/zinc/75/70/11/805757011.db2.gz XYBJUGGMYHRJJN-CHWSQXEVSA-N 2 2 265.357 -0.877 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077613089 805757014 /nfs/dbraw/zinc/75/70/14/805757014.db2.gz XYBJUGGMYHRJJN-CHWSQXEVSA-N 2 2 265.357 -0.877 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001077675290 805763334 /nfs/dbraw/zinc/76/33/34/805763334.db2.gz IANQYCPSNYFLAZ-YNEHKIRRSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077675290 805763338 /nfs/dbraw/zinc/76/33/38/805763338.db2.gz IANQYCPSNYFLAZ-YNEHKIRRSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675290 805763346 /nfs/dbraw/zinc/76/33/46/805763346.db2.gz IANQYCPSNYFLAZ-YNEHKIRRSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675290 805763349 /nfs/dbraw/zinc/76/33/49/805763349.db2.gz IANQYCPSNYFLAZ-YNEHKIRRSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077678062 805768986 /nfs/dbraw/zinc/76/89/86/805768986.db2.gz OZBMRHXQEUPSSF-YNEHKIRRSA-N 2 2 267.373 -0.325 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077678062 805768991 /nfs/dbraw/zinc/76/89/91/805768991.db2.gz OZBMRHXQEUPSSF-YNEHKIRRSA-N 2 2 267.373 -0.325 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077678062 805768997 /nfs/dbraw/zinc/76/89/97/805768997.db2.gz OZBMRHXQEUPSSF-YNEHKIRRSA-N 2 2 267.373 -0.325 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077678062 805769004 /nfs/dbraw/zinc/76/90/04/805769004.db2.gz OZBMRHXQEUPSSF-YNEHKIRRSA-N 2 2 267.373 -0.325 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009933 805824175 /nfs/dbraw/zinc/82/41/75/805824175.db2.gz ZLJRCSVOHAIPMU-CHWSQXEVSA-N 2 2 276.340 -0.853 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078009933 805824184 /nfs/dbraw/zinc/82/41/84/805824184.db2.gz ZLJRCSVOHAIPMU-CHWSQXEVSA-N 2 2 276.340 -0.853 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001078205769 805855756 /nfs/dbraw/zinc/85/57/56/805855756.db2.gz BZGBFNWMYVYGLP-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001078205769 805855764 /nfs/dbraw/zinc/85/57/64/805855764.db2.gz BZGBFNWMYVYGLP-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078205769 805855771 /nfs/dbraw/zinc/85/57/71/805855771.db2.gz BZGBFNWMYVYGLP-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078205769 805855781 /nfs/dbraw/zinc/85/57/81/805855781.db2.gz BZGBFNWMYVYGLP-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079527842 805923369 /nfs/dbraw/zinc/92/33/69/805923369.db2.gz HFRKEJJPTZOAFN-MCIONIFRSA-N 2 2 279.384 -0.223 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079527842 805923376 /nfs/dbraw/zinc/92/33/76/805923376.db2.gz HFRKEJJPTZOAFN-MCIONIFRSA-N 2 2 279.384 -0.223 20 30 CBEDLP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079527842 805923383 /nfs/dbraw/zinc/92/33/83/805923383.db2.gz HFRKEJJPTZOAFN-MCIONIFRSA-N 2 2 279.384 -0.223 20 30 CBEDLP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079527842 805923390 /nfs/dbraw/zinc/92/33/90/805923390.db2.gz HFRKEJJPTZOAFN-MCIONIFRSA-N 2 2 279.384 -0.223 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081849276 806128275 /nfs/dbraw/zinc/12/82/75/806128275.db2.gz NUHKRTQQYQNYRR-AAVRWANBSA-N 2 2 297.399 -0.293 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081849276 806128279 /nfs/dbraw/zinc/12/82/79/806128279.db2.gz NUHKRTQQYQNYRR-AAVRWANBSA-N 2 2 297.399 -0.293 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081849276 806128285 /nfs/dbraw/zinc/12/82/85/806128285.db2.gz NUHKRTQQYQNYRR-AAVRWANBSA-N 2 2 297.399 -0.293 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081849276 806128292 /nfs/dbraw/zinc/12/82/92/806128292.db2.gz NUHKRTQQYQNYRR-AAVRWANBSA-N 2 2 297.399 -0.293 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274162 806245448 /nfs/dbraw/zinc/24/54/48/806245448.db2.gz ZNODZTKJEHUBSV-MELADBBJSA-N 2 2 277.368 -0.517 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083274162 806245453 /nfs/dbraw/zinc/24/54/53/806245453.db2.gz ZNODZTKJEHUBSV-MELADBBJSA-N 2 2 277.368 -0.517 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274162 806245454 /nfs/dbraw/zinc/24/54/54/806245454.db2.gz ZNODZTKJEHUBSV-MELADBBJSA-N 2 2 277.368 -0.517 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274162 806245460 /nfs/dbraw/zinc/24/54/60/806245460.db2.gz ZNODZTKJEHUBSV-MELADBBJSA-N 2 2 277.368 -0.517 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1O ZINC001083537188 806359250 /nfs/dbraw/zinc/35/92/50/806359250.db2.gz HIUIZFQTGNZROR-RDBSUJKOSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1O ZINC001083537188 806359260 /nfs/dbraw/zinc/35/92/60/806359260.db2.gz HIUIZFQTGNZROR-RDBSUJKOSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1O ZINC001083537188 806359270 /nfs/dbraw/zinc/35/92/70/806359270.db2.gz HIUIZFQTGNZROR-RDBSUJKOSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1O ZINC001083537188 806359281 /nfs/dbraw/zinc/35/92/81/806359281.db2.gz HIUIZFQTGNZROR-RDBSUJKOSA-N 2 2 279.384 -0.346 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573373 806370221 /nfs/dbraw/zinc/37/02/21/806370221.db2.gz HCZNRLXUVNIFAN-UPJWGTAASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573373 806370230 /nfs/dbraw/zinc/37/02/30/806370230.db2.gz HCZNRLXUVNIFAN-UPJWGTAASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573373 806370239 /nfs/dbraw/zinc/37/02/39/806370239.db2.gz HCZNRLXUVNIFAN-UPJWGTAASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573373 806370248 /nfs/dbraw/zinc/37/02/48/806370248.db2.gz HCZNRLXUVNIFAN-UPJWGTAASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601627 806382784 /nfs/dbraw/zinc/38/27/84/806382784.db2.gz FAHKJRJIELNGNE-OLZOCXBDSA-N 2 2 279.384 -0.038 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601627 806382794 /nfs/dbraw/zinc/38/27/94/806382794.db2.gz FAHKJRJIELNGNE-OLZOCXBDSA-N 2 2 279.384 -0.038 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1 ZINC001083719086 806413931 /nfs/dbraw/zinc/41/39/31/806413931.db2.gz OTFABXCCMPBJGV-ZNMIVQPWSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001083719086 806413934 /nfs/dbraw/zinc/41/39/34/806413934.db2.gz OTFABXCCMPBJGV-ZNMIVQPWSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719086 806413940 /nfs/dbraw/zinc/41/39/40/806413940.db2.gz OTFABXCCMPBJGV-ZNMIVQPWSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719086 806413947 /nfs/dbraw/zinc/41/39/47/806413947.db2.gz OTFABXCCMPBJGV-ZNMIVQPWSA-N 2 2 293.411 -0.097 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778304 806431937 /nfs/dbraw/zinc/43/19/37/806431937.db2.gz IANQYCPSNYFLAZ-UPJWGTAASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778304 806431942 /nfs/dbraw/zinc/43/19/42/806431942.db2.gz IANQYCPSNYFLAZ-UPJWGTAASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778304 806431946 /nfs/dbraw/zinc/43/19/46/806431946.db2.gz IANQYCPSNYFLAZ-UPJWGTAASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778304 806431951 /nfs/dbraw/zinc/43/19/51/806431951.db2.gz IANQYCPSNYFLAZ-UPJWGTAASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057258 806482339 /nfs/dbraw/zinc/48/23/39/806482339.db2.gz CFLFUOQKVFJJFY-OLZOCXBDSA-N 2 2 267.373 -0.180 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057258 806482341 /nfs/dbraw/zinc/48/23/41/806482341.db2.gz CFLFUOQKVFJJFY-OLZOCXBDSA-N 2 2 267.373 -0.180 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115005 806489735 /nfs/dbraw/zinc/48/97/35/806489735.db2.gz UTBRPNNWLYEAQY-NEPJUHHUSA-N 2 2 262.313 -0.932 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115005 806489736 /nfs/dbraw/zinc/48/97/36/806489736.db2.gz UTBRPNNWLYEAQY-NEPJUHHUSA-N 2 2 262.313 -0.932 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001084091065 806489203 /nfs/dbraw/zinc/48/92/03/806489203.db2.gz XCPFUQJKDAJDFL-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001084091065 806489208 /nfs/dbraw/zinc/48/92/08/806489208.db2.gz XCPFUQJKDAJDFL-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091065 806489214 /nfs/dbraw/zinc/48/92/14/806489214.db2.gz XCPFUQJKDAJDFL-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091065 806489220 /nfs/dbraw/zinc/48/92/20/806489220.db2.gz XCPFUQJKDAJDFL-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001084844834 806537902 /nfs/dbraw/zinc/53/79/02/806537902.db2.gz LCOGUMGUPIUZRY-RBSFLKMASA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001084844834 806537910 /nfs/dbraw/zinc/53/79/10/806537910.db2.gz LCOGUMGUPIUZRY-RBSFLKMASA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844834 806537914 /nfs/dbraw/zinc/53/79/14/806537914.db2.gz LCOGUMGUPIUZRY-RBSFLKMASA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084844834 806537923 /nfs/dbraw/zinc/53/79/23/806537923.db2.gz LCOGUMGUPIUZRY-RBSFLKMASA-N 2 2 291.395 -0.127 20 30 CBEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027806113 799081722 /nfs/dbraw/zinc/08/17/22/799081722.db2.gz DLGQDNBYHXCARH-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027806113 799081725 /nfs/dbraw/zinc/08/17/25/799081725.db2.gz DLGQDNBYHXCARH-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027806113 799081727 /nfs/dbraw/zinc/08/17/27/799081727.db2.gz DLGQDNBYHXCARH-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027806113 799081730 /nfs/dbraw/zinc/08/17/30/799081730.db2.gz DLGQDNBYHXCARH-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001027940544 799097018 /nfs/dbraw/zinc/09/70/18/799097018.db2.gz NQWULBRDUXIDCY-KBPBESRZSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001027940544 799097025 /nfs/dbraw/zinc/09/70/25/799097025.db2.gz NQWULBRDUXIDCY-KBPBESRZSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCO ZINC001027940544 799097033 /nfs/dbraw/zinc/09/70/33/799097033.db2.gz NQWULBRDUXIDCY-KBPBESRZSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCO ZINC001027940544 799097041 /nfs/dbraw/zinc/09/70/41/799097041.db2.gz NQWULBRDUXIDCY-KBPBESRZSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028600674 799152815 /nfs/dbraw/zinc/15/28/15/799152815.db2.gz BMOKVWQHZBXQBD-OLZOCXBDSA-N 2 2 292.383 -0.993 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001028600674 799152817 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CBEDLP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218474 801740100 /nfs/dbraw/zinc/74/01/00/801740100.db2.gz JONUMTRLPCFNJD-GXTWGEPZSA-N 2 2 265.357 -0.469 20 30 CBEDLP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046221006 801741444 /nfs/dbraw/zinc/74/14/44/801741444.db2.gz WQROSKSASWEVGH-HIFRSBDPSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046221006 801741447 /nfs/dbraw/zinc/74/14/47/801741447.db2.gz WQROSKSASWEVGH-HIFRSBDPSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046221006 801741452 /nfs/dbraw/zinc/74/14/52/801741452.db2.gz WQROSKSASWEVGH-HIFRSBDPSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046221006 801741456 /nfs/dbraw/zinc/74/14/56/801741456.db2.gz WQROSKSASWEVGH-HIFRSBDPSA-N 2 2 279.384 -0.079 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047333967 801839032 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SGJHSXUWMSXEHJ-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001047429298 801869864 /nfs/dbraw/zinc/86/98/64/801869864.db2.gz SGJHSXUWMSXEHJ-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001047429298 801869868 /nfs/dbraw/zinc/86/98/68/801869868.db2.gz SGJHSXUWMSXEHJ-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001047528825 801893443 /nfs/dbraw/zinc/89/34/43/801893443.db2.gz DFBMDNDPEFFDFC-RDBSUJKOSA-N 2 2 279.384 -0.535 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001047528825 801893450 /nfs/dbraw/zinc/89/34/50/801893450.db2.gz DFBMDNDPEFFDFC-RDBSUJKOSA-N 2 2 279.384 -0.535 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001047528825 801893461 /nfs/dbraw/zinc/89/34/61/801893461.db2.gz DFBMDNDPEFFDFC-RDBSUJKOSA-N 2 2 279.384 -0.535 20 30 CBEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627706 801914513 /nfs/dbraw/zinc/91/45/13/801914513.db2.gz VAXIGYFGCFSGOS-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627706 801914517 /nfs/dbraw/zinc/91/45/17/801914517.db2.gz VAXIGYFGCFSGOS-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052274964 802191067 /nfs/dbraw/zinc/19/10/67/802191067.db2.gz DQXXOHUZTKJVJX-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052274964 802191071 /nfs/dbraw/zinc/19/10/71/802191071.db2.gz DQXXOHUZTKJVJX-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052274964 802191073 /nfs/dbraw/zinc/19/10/73/802191073.db2.gz DQXXOHUZTKJVJX-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052274964 802191074 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C#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728115 810557515 /nfs/dbraw/zinc/55/75/15/810557515.db2.gz OTTNICHKODHBAE-QWHCGFSZSA-N 2 2 276.340 -0.853 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808714 810569992 /nfs/dbraw/zinc/56/99/92/810569992.db2.gz OCKUDGCEXUMKAG-ZIAGYGMSSA-N 2 2 290.367 -0.234 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808714 810569995 /nfs/dbraw/zinc/56/99/95/810569995.db2.gz OCKUDGCEXUMKAG-ZIAGYGMSSA-N 2 2 290.367 -0.234 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847129 810573949 /nfs/dbraw/zinc/57/39/49/810573949.db2.gz NUVCFMSJPDPHRP-RYUDHWBXSA-N 2 2 262.313 -0.932 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847129 810573958 /nfs/dbraw/zinc/57/39/58/810573958.db2.gz NUVCFMSJPDPHRP-RYUDHWBXSA-N 2 2 262.313 -0.932 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847128 810574017 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-0.202 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCO ZINC001095556562 810754184 /nfs/dbraw/zinc/75/41/84/810754184.db2.gz ZFQDTEMEOOMZGM-QPSCCSFWSA-N 2 2 291.395 -0.202 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCO ZINC001095556562 810754189 /nfs/dbraw/zinc/75/41/89/810754189.db2.gz ZFQDTEMEOOMZGM-QPSCCSFWSA-N 2 2 291.395 -0.202 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099805229 810943658 /nfs/dbraw/zinc/94/36/58/810943658.db2.gz YVQOSMZTYIFGTR-OLZOCXBDSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099805229 810943663 /nfs/dbraw/zinc/94/36/63/810943663.db2.gz YVQOSMZTYIFGTR-OLZOCXBDSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804399 810944453 /nfs/dbraw/zinc/94/44/53/810944453.db2.gz MSVOPFJBZOQMOW-VXGBXAGGSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804399 810944461 /nfs/dbraw/zinc/94/44/61/810944461.db2.gz MSVOPFJBZOQMOW-VXGBXAGGSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100093812 811017081 /nfs/dbraw/zinc/01/70/81/811017081.db2.gz BZMSOUBIMHSGSZ-UONOGXRCSA-N 2 2 290.367 -0.463 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100093812 811017085 /nfs/dbraw/zinc/01/70/85/811017085.db2.gz BZMSOUBIMHSGSZ-UONOGXRCSA-N 2 2 290.367 -0.463 20 30 CBEDLP CC(C)C[C@H](NC(=O)C[NH2+]C1CC[NH2+]CC1)C(=O)NO ZINC001157304243 815420958 /nfs/dbraw/zinc/42/09/58/815420958.db2.gz WWHRFZGGYSNNOZ-NSHDSACASA-N 2 2 286.376 -0.636 20 30 CBEDLP N#Cc1ccccc1N1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001157473969 815437399 /nfs/dbraw/zinc/43/73/99/815437399.db2.gz HINNPTRNTMVVIK-KBPBESRZSA-N 2 2 299.378 -0.246 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC001119319738 812754231 /nfs/dbraw/zinc/75/42/31/812754231.db2.gz FQWGYCLFEULANL-MNOVXSKESA-N 2 2 269.345 -0.357 20 30 CBEDLP C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@H]1C[N@H+](C)CCN1C ZINC001120589929 812997037 /nfs/dbraw/zinc/99/70/37/812997037.db2.gz HJOMRFPCTDPGPR-RRFJBIMHSA-N 2 2 297.447 -0.583 20 30 CBEDLP C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@H]1C[N@@H+](C)CCN1C ZINC001120589929 812997041 /nfs/dbraw/zinc/99/70/41/812997041.db2.gz HJOMRFPCTDPGPR-RRFJBIMHSA-N 2 2 297.447 -0.583 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126432156 813647622 /nfs/dbraw/zinc/64/76/22/813647622.db2.gz OYHVDULPKLATIW-UHFFFAOYSA-N 2 2 279.344 -0.650 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126447246 813648291 /nfs/dbraw/zinc/64/82/91/813648291.db2.gz BJNDPZJIEZCBBK-NSHDSACASA-N 2 2 291.355 -0.814 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001129761831 813861834 /nfs/dbraw/zinc/86/18/34/813861834.db2.gz CXNIXQFTKWUIMZ-AWEZNQCLSA-N 2 2 289.383 -0.277 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccn(C)n1 ZINC001129761831 813861842 /nfs/dbraw/zinc/86/18/42/813861842.db2.gz CXNIXQFTKWUIMZ-AWEZNQCLSA-N 2 2 289.383 -0.277 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001129762983 813862190 /nfs/dbraw/zinc/86/21/90/813862190.db2.gz UVCPNSLLQLMWDN-ZDUSSCGKSA-N 2 2 290.371 -0.882 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnn(C)n1 ZINC001129762983 813862196 /nfs/dbraw/zinc/86/21/96/813862196.db2.gz UVCPNSLLQLMWDN-ZDUSSCGKSA-N 2 2 290.371 -0.882 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001129771345 813865117 /nfs/dbraw/zinc/86/51/17/813865117.db2.gz WHIYXFQEBQKQHO-LBPRGKRZSA-N 2 2 290.371 -0.882 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C ZINC001129771345 813865123 /nfs/dbraw/zinc/86/51/23/813865123.db2.gz WHIYXFQEBQKQHO-LBPRGKRZSA-N 2 2 290.371 -0.882 20 30 CBEDLP C#CCNC(=O)C[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270655 814015023 /nfs/dbraw/zinc/01/50/23/814015023.db2.gz OELHSIZKKSVWTK-UHFFFAOYSA-N 2 2 299.334 -0.597 20 30 CBEDLP C#CC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131822488 814072173 /nfs/dbraw/zinc/07/21/73/814072173.db2.gz PLIFLXOOOZLFNL-AWEZNQCLSA-N 2 2 279.384 -0.174 20 30 CBEDLP C#CC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131822488 814072177 /nfs/dbraw/zinc/07/21/77/814072177.db2.gz PLIFLXOOOZLFNL-AWEZNQCLSA-N 2 2 279.384 -0.174 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132085141 814102272 /nfs/dbraw/zinc/10/22/72/814102272.db2.gz OEWSTYDDXUHUNJ-LBPRGKRZSA-N 2 2 293.371 -0.330 20 30 CBEDLP C=CCOCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757577 814519836 /nfs/dbraw/zinc/51/98/36/814519836.db2.gz GFWXJCQQUCEKEL-UHFFFAOYSA-N 2 2 252.318 -0.139 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)CC1 ZINC001160431900 815621301 /nfs/dbraw/zinc/62/13/01/815621301.db2.gz ICFUPRHJRKDANJ-RWMBFGLXSA-N 2 2 264.373 -0.734 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160432446 815620892 /nfs/dbraw/zinc/62/08/92/815620892.db2.gz WHUAXHARIXTVHA-CYBMUJFWSA-N 3 2 266.389 -0.357 20 30 CBEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCO[C@H](C#N)C1 ZINC001160879464 815683714 /nfs/dbraw/zinc/68/37/14/815683714.db2.gz QQDAWGZYGBGMGP-MNOVXSKESA-N 2 2 263.301 -0.959 20 30 CBEDLP C#C[C@](C)([NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379397 815748952 /nfs/dbraw/zinc/74/89/52/815748952.db2.gz OOMWHCQDUHDFIP-JSGCOSHPSA-N 3 2 264.373 -0.639 20 30 CBEDLP C[NH+](CC(=O)NCC[N@@H+](C)CC(=O)NCC#N)C1CCC1 ZINC001317450043 816984087 /nfs/dbraw/zinc/98/40/87/816984087.db2.gz OJIGKEJPACOQLU-UHFFFAOYSA-N 2 2 295.387 -0.842 20 30 CBEDLP C[NH+](CC(=O)NCC[N@H+](C)CC(=O)NCC#N)C1CCC1 ZINC001317450043 816984090 /nfs/dbraw/zinc/98/40/90/816984090.db2.gz OJIGKEJPACOQLU-UHFFFAOYSA-N 2 2 295.387 -0.842 20 30 CBEDLP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)CC(=O)NCC#N ZINC001317450043 816984093 /nfs/dbraw/zinc/98/40/93/816984093.db2.gz OJIGKEJPACOQLU-UHFFFAOYSA-N 2 2 295.387 -0.842 20 30 CBEDLP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)CC(=O)NCC#N ZINC001317450043 816984097 /nfs/dbraw/zinc/98/40/97/816984097.db2.gz OJIGKEJPACOQLU-UHFFFAOYSA-N 2 2 295.387 -0.842 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317466786 816988873 /nfs/dbraw/zinc/98/88/73/816988873.db2.gz HCNUPOMWUVMAHR-ZDUSSCGKSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317466786 816988879 /nfs/dbraw/zinc/98/88/79/816988879.db2.gz HCNUPOMWUVMAHR-ZDUSSCGKSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317466786 816988883 /nfs/dbraw/zinc/98/88/83/816988883.db2.gz HCNUPOMWUVMAHR-ZDUSSCGKSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317466786 816988888 /nfs/dbraw/zinc/98/88/88/816988888.db2.gz HCNUPOMWUVMAHR-ZDUSSCGKSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCOCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318087087 817072645 /nfs/dbraw/zinc/07/26/45/817072645.db2.gz LJTLLCPDMMALIU-GFCCVEGCSA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CCOCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001318087087 817072649 /nfs/dbraw/zinc/07/26/49/817072649.db2.gz LJTLLCPDMMALIU-GFCCVEGCSA-N 2 2 267.373 -0.059 20 30 CBEDLP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320233939 817299892 /nfs/dbraw/zinc/29/98/92/817299892.db2.gz JFSQMTSIKGPAMO-QJPTWQEYSA-N 2 2 276.340 -0.397 20 30 CBEDLP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320233939 817299897 /nfs/dbraw/zinc/29/98/97/817299897.db2.gz JFSQMTSIKGPAMO-QJPTWQEYSA-N 2 2 276.340 -0.397 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575816 821188770 /nfs/dbraw/zinc/18/87/70/821188770.db2.gz DRKZJMGXODGZET-LLVKDONJSA-N 2 2 291.355 -0.555 20 30 CBEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001280609318 828365379 /nfs/dbraw/zinc/36/53/79/828365379.db2.gz KIZGADIUXPEZEC-CYBMUJFWSA-N 2 2 290.367 -0.197 20 30 CBEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001280652801 828369611 /nfs/dbraw/zinc/36/96/11/828369611.db2.gz UCECAQCXUSMMFW-LBPRGKRZSA-N 2 2 276.340 -0.208 20 30 CBEDLP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001281169015 828405781 /nfs/dbraw/zinc/40/57/81/828405781.db2.gz WLCLZAZWPIQMSI-OAHLLOKOSA-N 2 2 290.367 -0.081 20 30 CBEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001283765652 828545199 /nfs/dbraw/zinc/54/51/99/828545199.db2.gz UYNDJMCOXDXISS-GFCCVEGCSA-N 2 2 266.345 -0.015 20 30 CBEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001283765652 828545204 /nfs/dbraw/zinc/54/52/04/828545204.db2.gz UYNDJMCOXDXISS-GFCCVEGCSA-N 2 2 266.345 -0.015 20 30 CBEDLP C#CCC[NH2+][C@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001283764221 828545286 /nfs/dbraw/zinc/54/52/86/828545286.db2.gz KONLQSZLWFMNEC-LBPRGKRZSA-N 2 2 264.329 -0.568 20 30 CBEDLP C#CCC[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001283764221 828545292 /nfs/dbraw/zinc/54/52/92/828545292.db2.gz KONLQSZLWFMNEC-LBPRGKRZSA-N 2 2 264.329 -0.568 20 30 CBEDLP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001283769505 828546329 /nfs/dbraw/zinc/54/63/29/828546329.db2.gz DQVMNUNBZBSJCU-NEPJUHHUSA-N 2 2 276.340 -0.855 20 30 CBEDLP CC#CC[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001283814188 828552490 /nfs/dbraw/zinc/55/24/90/828552490.db2.gz VGBOZCKTFPKWAP-NSHDSACASA-N 2 2 250.302 -0.958 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198687926 824235984 /nfs/dbraw/zinc/23/59/84/824235984.db2.gz BBJWWTVEKVBZNU-MGPQQGTHSA-N 2 2 297.399 -0.698 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198687926 824235991 /nfs/dbraw/zinc/23/59/91/824235991.db2.gz BBJWWTVEKVBZNU-MGPQQGTHSA-N 2 2 297.399 -0.698 20 30 CBEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405648 824266509 /nfs/dbraw/zinc/26/65/09/824266509.db2.gz HVSZYDCWZITODR-CHWSQXEVSA-N 2 2 294.355 -0.753 20 30 CBEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405648 824266515 /nfs/dbraw/zinc/26/65/15/824266515.db2.gz HVSZYDCWZITODR-CHWSQXEVSA-N 2 2 294.355 -0.753 20 30 CBEDLP C#C[C@](C)([NH3+])C(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001218579421 824598916 /nfs/dbraw/zinc/59/89/16/824598916.db2.gz FICYWAGFWLUFCQ-AWEZNQCLSA-N 2 2 288.355 -0.483 20 30 CBEDLP N#Cc1cccc2[nH]nc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])c21 ZINC001218656736 824617240 /nfs/dbraw/zinc/61/72/40/824617240.db2.gz LNKLCIUJZACOOV-IUCAKERBSA-N 2 2 270.296 -0.080 20 30 CBEDLP N#Cc1c(N)nn(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c1N ZINC001218660704 824618240 /nfs/dbraw/zinc/61/82/40/824618240.db2.gz QQDGLQPGTFQWNW-SNVBAGLBSA-N 2 2 285.311 -0.434 20 30 CBEDLP Cn1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c(C#N)n1 ZINC001218669211 824619807 /nfs/dbraw/zinc/61/98/07/824619807.db2.gz XPWHRWJXYOFYQB-VIFPVBQESA-N 2 2 273.300 -0.466 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804350 824896103 /nfs/dbraw/zinc/89/61/03/824896103.db2.gz SXVVKYXGNOMFJJ-FRRDWIJNSA-N 2 2 265.357 -0.879 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804350 824896107 /nfs/dbraw/zinc/89/61/07/824896107.db2.gz SXVVKYXGNOMFJJ-FRRDWIJNSA-N 2 2 265.357 -0.879 20 30 CBEDLP CC(=O)/C=C(/C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219910329 824913521 /nfs/dbraw/zinc/91/35/21/824913521.db2.gz XYYNBTKODDJWFH-OHYQPGSNSA-N 2 2 250.302 -0.101 20 30 CBEDLP C=C(C)C(=O)NCCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220043170 824942788 /nfs/dbraw/zinc/94/27/88/824942788.db2.gz HUTFNPWHLVZACS-BXUZGUMPSA-N 2 2 280.372 -0.864 20 30 CBEDLP N#CCCCCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220191425 824984982 /nfs/dbraw/zinc/98/49/82/824984982.db2.gz IHYFWLJVORBPGL-GFCCVEGCSA-N 2 2 267.377 -0.453 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220342970 825018527 /nfs/dbraw/zinc/01/85/27/825018527.db2.gz SHPHBKMRCIRPLV-MCIONIFRSA-N 2 2 281.400 -0.099 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220342970 825018530 /nfs/dbraw/zinc/01/85/30/825018530.db2.gz SHPHBKMRCIRPLV-MCIONIFRSA-N 2 2 281.400 -0.099 20 30 CBEDLP C=C[C@H]1C[C@]1(NC(=O)C1([NH3+])CC[NH2+]CC1)C(=O)OCC ZINC001220571308 825067237 /nfs/dbraw/zinc/06/72/37/825067237.db2.gz OGIPQFZWVPJBCR-IINYFYTJSA-N 2 2 281.356 -0.309 20 30 CBEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ncc(C#N)s1 ZINC001220872265 825116370 /nfs/dbraw/zinc/11/63/70/825116370.db2.gz RBUOQVAGROTCAB-JTQLQIEISA-N 2 2 290.352 -0.066 20 30 CBEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220868668 825117684 /nfs/dbraw/zinc/11/76/84/825117684.db2.gz OEIVNKHMTDGTSJ-JLNYLFASSA-N 3 2 278.400 -0.025 20 30 CBEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220868668 825117687 /nfs/dbraw/zinc/11/76/87/825117687.db2.gz OEIVNKHMTDGTSJ-JLNYLFASSA-N 3 2 278.400 -0.025 20 30 CBEDLP N#CC1(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCOCC1 ZINC001220966712 825130646 /nfs/dbraw/zinc/13/06/46/825130646.db2.gz CTMUVAPRZOFPGD-JTQLQIEISA-N 2 2 263.301 -0.532 20 30 CBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977763 825132442 /nfs/dbraw/zinc/13/24/42/825132442.db2.gz BLTHBQAIUUDMSH-KGLIPLIRSA-N 2 2 297.399 -0.554 20 30 CBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220977763 825132444 /nfs/dbraw/zinc/13/24/44/825132444.db2.gz BLTHBQAIUUDMSH-KGLIPLIRSA-N 2 2 297.399 -0.554 20 30 CBEDLP C#C[C@](C)([NH3+])C(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC001221006260 825134617 /nfs/dbraw/zinc/13/46/17/825134617.db2.gz DFKPXSXJRNFNKQ-HUBLWGQQSA-N 2 2 294.399 -0.558 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161438 825148269 /nfs/dbraw/zinc/14/82/69/825148269.db2.gz MEHPBYUYILQRBW-KGLIPLIRSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161438 825148270 /nfs/dbraw/zinc/14/82/70/825148270.db2.gz MEHPBYUYILQRBW-KGLIPLIRSA-N 2 2 290.367 -0.152 20 30 CBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164484 825149005 /nfs/dbraw/zinc/14/90/05/825149005.db2.gz HVSZYDCWZITODR-OLZOCXBDSA-N 2 2 294.355 -0.753 20 30 CBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164484 825149011 /nfs/dbraw/zinc/14/90/11/825149011.db2.gz HVSZYDCWZITODR-OLZOCXBDSA-N 2 2 294.355 -0.753 20 30 CBEDLP N#CC1(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)Cc2ccccc2C1 ZINC001221367255 825175934 /nfs/dbraw/zinc/17/59/34/825175934.db2.gz NOBTWPLHWKFDOW-OLZOCXBDSA-N 2 2 270.336 -0.147 20 30 CBEDLP C[N@H+]1[C@@H]2C[C@@H](OCC(=O)N3CC[NH+](C)CC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001222543052 825217244 /nfs/dbraw/zinc/21/72/44/825217244.db2.gz LMAZLULPPSXJDW-KYFMZXIUSA-N 2 2 295.383 -0.611 20 30 CBEDLP C[N@@H+]1[C@@H]2C[C@@H](OCC(=O)N3CC[NH+](C)CC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001222543052 825217252 /nfs/dbraw/zinc/21/72/52/825217252.db2.gz LMAZLULPPSXJDW-KYFMZXIUSA-N 2 2 295.383 -0.611 20 30 CBEDLP C[NH+](C)CCC(=O)NC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001228991080 825325987 /nfs/dbraw/zinc/32/59/87/825325987.db2.gz CITZKABRENDFMK-UHFFFAOYSA-N 2 2 295.387 -0.842 20 30 CBEDLP C=CCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239439197 825603698 /nfs/dbraw/zinc/60/36/98/825603698.db2.gz NJOVDIOWAHWLFH-UHFFFAOYSA-N 2 2 271.434 -0.869 20 30 CBEDLP C=C[C@@H](O)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001253581148 825918089 /nfs/dbraw/zinc/91/80/89/825918089.db2.gz HBFZAUSGWMYPQV-CQSZACIVSA-N 2 2 269.389 -0.517 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265289954 826873286 /nfs/dbraw/zinc/87/32/86/826873286.db2.gz GEZXXOFPJRZNLV-QWHCGFSZSA-N 2 2 296.415 -0.181 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265289954 826873302 /nfs/dbraw/zinc/87/33/02/826873302.db2.gz GEZXXOFPJRZNLV-QWHCGFSZSA-N 2 2 296.415 -0.181 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266358955 826988166 /nfs/dbraw/zinc/98/81/66/826988166.db2.gz KHOSTFDRDXTEOL-CYBMUJFWSA-N 2 2 294.399 -0.425 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266358955 826988174 /nfs/dbraw/zinc/98/81/74/826988174.db2.gz KHOSTFDRDXTEOL-CYBMUJFWSA-N 2 2 294.399 -0.425 20 30 CBEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267576123 827180796 /nfs/dbraw/zinc/18/07/96/827180796.db2.gz RJXAKBKIWZOSNK-CQSZACIVSA-N 2 2 293.415 -0.462 20 30 CBEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267576123 827180801 /nfs/dbraw/zinc/18/08/01/827180801.db2.gz RJXAKBKIWZOSNK-CQSZACIVSA-N 2 2 293.415 -0.462 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267698675 827200402 /nfs/dbraw/zinc/20/04/02/827200402.db2.gz FLUOOJWZZDSKJB-CYBMUJFWSA-N 2 2 294.399 -0.712 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267698675 827200404 /nfs/dbraw/zinc/20/04/04/827200404.db2.gz FLUOOJWZZDSKJB-CYBMUJFWSA-N 2 2 294.399 -0.712 20 30 CBEDLP C=CCC[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268322238 827300250 /nfs/dbraw/zinc/30/02/50/827300250.db2.gz CWSMDXDGTDPUBE-NSHDSACASA-N 2 2 252.318 -0.405 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001269052212 827457386 /nfs/dbraw/zinc/45/73/86/827457386.db2.gz XWNAOEMTYUDFQK-QWHCGFSZSA-N 2 2 294.399 -0.427 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001269052212 827457390 /nfs/dbraw/zinc/45/73/90/827457390.db2.gz XWNAOEMTYUDFQK-QWHCGFSZSA-N 2 2 294.399 -0.427 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001269052212 827457392 /nfs/dbraw/zinc/45/73/92/827457392.db2.gz XWNAOEMTYUDFQK-QWHCGFSZSA-N 2 2 294.399 -0.427 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001269052212 827457393 /nfs/dbraw/zinc/45/73/93/827457393.db2.gz XWNAOEMTYUDFQK-QWHCGFSZSA-N 2 2 294.399 -0.427 20 30 CBEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270190667 827553508 /nfs/dbraw/zinc/55/35/08/827553508.db2.gz ZXXTWTSSRAPHKW-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270190667 827553513 /nfs/dbraw/zinc/55/35/13/827553513.db2.gz ZXXTWTSSRAPHKW-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001271208012 827676040 /nfs/dbraw/zinc/67/60/40/827676040.db2.gz GTZPIYXJLXWMBJ-AWEZNQCLSA-N 2 2 276.340 -0.472 20 30 CBEDLP CC#CC[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001271208012 827676046 /nfs/dbraw/zinc/67/60/46/827676046.db2.gz GTZPIYXJLXWMBJ-AWEZNQCLSA-N 2 2 276.340 -0.472 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271210788 827677830 /nfs/dbraw/zinc/67/78/30/827677830.db2.gz UEADJFRIVNQEMZ-OAHLLOKOSA-N 2 2 290.367 -0.461 20 30 CBEDLP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271210788 827677831 /nfs/dbraw/zinc/67/78/31/827677831.db2.gz UEADJFRIVNQEMZ-OAHLLOKOSA-N 2 2 290.367 -0.461 20 30 CBEDLP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001273929888 827942686 /nfs/dbraw/zinc/94/26/86/827942686.db2.gz OMBMCUVMCSRPPR-OAHLLOKOSA-N 2 2 290.367 -0.081 20 30 CBEDLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NCC#N ZINC001274792719 828030959 /nfs/dbraw/zinc/03/09/59/828030959.db2.gz PRRSGGQDXCDGJN-JTQLQIEISA-N 2 2 292.343 -0.924 20 30 CBEDLP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001274985671 828048157 /nfs/dbraw/zinc/04/81/57/828048157.db2.gz DGCMJSWHKAGEDL-LLVKDONJSA-N 2 2 293.371 -0.641 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001275467987 828088021 /nfs/dbraw/zinc/08/80/21/828088021.db2.gz SLHJFVJVNFPTDA-NWDGAFQWSA-N 2 2 291.355 -0.885 20 30 CBEDLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001275580244 828102448 /nfs/dbraw/zinc/10/24/48/828102448.db2.gz KYTZOHIDQAMUNV-GHMZBOCLSA-N 2 2 292.343 -0.994 20 30 CBEDLP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001276816292 828161746 /nfs/dbraw/zinc/16/17/46/828161746.db2.gz ZJEYNVMOWKIDLB-TZMCWYRMSA-N 2 2 290.367 -0.199 20 30 CBEDLP CC#CC[N@H+](C)CCOCCNC(=O)Cn1cc[nH+]c1 ZINC001277541042 828194156 /nfs/dbraw/zinc/19/41/56/828194156.db2.gz BKHKZPGVUKAYCD-UHFFFAOYSA-N 2 2 278.356 -0.029 20 30 CBEDLP CC#CC[N@@H+](C)CCOCCNC(=O)Cn1cc[nH+]c1 ZINC001277541042 828194158 /nfs/dbraw/zinc/19/41/58/828194158.db2.gz BKHKZPGVUKAYCD-UHFFFAOYSA-N 2 2 278.356 -0.029 20 30 CBEDLP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001277832405 828213211 /nfs/dbraw/zinc/21/32/11/828213211.db2.gz SBXRUVWBLMMWGH-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001277832405 828213218 /nfs/dbraw/zinc/21/32/18/828213218.db2.gz SBXRUVWBLMMWGH-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001278882978 828303279 /nfs/dbraw/zinc/30/32/79/828303279.db2.gz PQZYBJSKAGEVIL-AWEZNQCLSA-N 2 2 292.383 -0.263 20 30 CBEDLP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001278882978 828303287 /nfs/dbraw/zinc/30/32/87/828303287.db2.gz PQZYBJSKAGEVIL-AWEZNQCLSA-N 2 2 292.383 -0.263 20 30 CBEDLP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001278931586 828310814 /nfs/dbraw/zinc/31/08/14/828310814.db2.gz DRQPGIJJLBUCED-ZDUSSCGKSA-N 2 2 297.399 -0.554 20 30 CBEDLP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001278931586 828310822 /nfs/dbraw/zinc/31/08/22/828310822.db2.gz DRQPGIJJLBUCED-ZDUSSCGKSA-N 2 2 297.399 -0.554 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001330882070 886612474 /nfs/dbraw/zinc/61/24/74/886612474.db2.gz BPSMWHGZMITBPL-COPLHBTASA-N 2 2 281.356 -0.166 20 30 CBEDLP C#CCOCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336875276 888904418 /nfs/dbraw/zinc/90/44/18/888904418.db2.gz WVMMGWRXEWRRSB-UHFFFAOYSA-N 2 2 268.361 -0.642 20 30 CBEDLP C=CCCC[C@@H]([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001342199474 889728134 /nfs/dbraw/zinc/72/81/34/889728134.db2.gz LTMOKESQAVGCFQ-UONOGXRCSA-N 2 2 299.415 -0.179 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001343421853 889907413 /nfs/dbraw/zinc/90/74/13/889907413.db2.gz SCDKUYXODRJTCW-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278816320 884822782 /nfs/dbraw/zinc/82/27/82/884822782.db2.gz PNNDTYVKOFMNIH-CQSZACIVSA-N 2 2 276.340 -0.472 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278816320 884822795 /nfs/dbraw/zinc/82/27/95/884822795.db2.gz PNNDTYVKOFMNIH-CQSZACIVSA-N 2 2 276.340 -0.472 20 30 CBEDLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC001326308915 884980269 /nfs/dbraw/zinc/98/02/69/884980269.db2.gz HFECGROCDKPPHC-QWRGUYRKSA-N 2 2 282.344 -0.629 20 30 CBEDLP C#CC[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001328128889 885579092 /nfs/dbraw/zinc/57/90/92/885579092.db2.gz QDZKTJLPBYZIHS-UHFFFAOYSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001328128889 885579100 /nfs/dbraw/zinc/57/91/00/885579100.db2.gz QDZKTJLPBYZIHS-UHFFFAOYSA-N 2 2 292.427 -0.212 20 30 CBEDLP C=CC[C@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001328454845 885692485 /nfs/dbraw/zinc/69/24/85/885692485.db2.gz KZSDJECBMYJSRR-IUODEOHRSA-N 2 2 294.399 -0.249 20 30 CBEDLP C=CC[C@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001328454845 885692503 /nfs/dbraw/zinc/69/25/03/885692503.db2.gz KZSDJECBMYJSRR-IUODEOHRSA-N 2 2 294.399 -0.249 20 30 CBEDLP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001332586109 887367193 /nfs/dbraw/zinc/36/71/93/887367193.db2.gz GFIRTEPYDYCNPE-LLVKDONJSA-N 2 2 264.329 -0.616 20 30 CBEDLP C=CC[C@H](CO)CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335623820 888584965 /nfs/dbraw/zinc/58/49/65/888584965.db2.gz VEOGAKLKMOWJNO-LBPRGKRZSA-N 2 2 284.404 -0.107 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001338503512 889171098 /nfs/dbraw/zinc/17/10/98/889171098.db2.gz BEGXCSPVUMSVED-LSDHHAIUSA-N 2 2 282.384 -0.424 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001340865114 889500846 /nfs/dbraw/zinc/50/08/46/889500846.db2.gz NKYDFHKWOFDWLI-KGLIPLIRSA-N 2 2 279.384 -0.031 20 30 CBEDLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001349822366 890901660 /nfs/dbraw/zinc/90/16/60/890901660.db2.gz HOMCZQZEOYNDTF-VXGBXAGGSA-N 2 2 296.371 -0.239 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001439045221 911072399 /nfs/dbraw/zinc/07/23/99/911072399.db2.gz HNPOWPFREWJHSD-LLVKDONJSA-N 2 2 286.763 -0.218 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=C)Cl ZINC001507204064 921739247 /nfs/dbraw/zinc/73/92/47/921739247.db2.gz PCIGGPFNUIOXCQ-OLZOCXBDSA-N 2 2 299.802 -0.097 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=C)Cl ZINC001507204064 921739259 /nfs/dbraw/zinc/73/92/59/921739259.db2.gz PCIGGPFNUIOXCQ-OLZOCXBDSA-N 2 2 299.802 -0.097 20 30 CBEDLP C[C@@H](NC(=O)NCC#CC[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC001477824026 916022744 /nfs/dbraw/zinc/02/27/44/916022744.db2.gz CASNAEDUFRGMFU-ZIAGYGMSSA-N 2 2 296.415 -0.040 20 30 CBEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480228815 916337655 /nfs/dbraw/zinc/33/76/55/916337655.db2.gz KETYAJAPZHNOKA-TXEJJXNPSA-N 2 2 276.340 -0.161 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001480473418 916431294 /nfs/dbraw/zinc/43/12/94/916431294.db2.gz FKXJRYXNRQFVGT-LLVKDONJSA-N 2 2 291.355 -0.814 20 30 CBEDLP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482350353 917135219 /nfs/dbraw/zinc/13/52/19/917135219.db2.gz ZFNSEFSLYRVQHE-SNVBAGLBSA-N 2 2 292.343 -0.972 20 30 CBEDLP CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CCC[NH+]1C ZINC001482584731 917170870 /nfs/dbraw/zinc/17/08/70/917170870.db2.gz GARKHJPAQWXSLA-LBPRGKRZSA-N 2 2 295.387 -0.889 20 30 CBEDLP CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CCC[NH+]1C ZINC001482584731 917170881 /nfs/dbraw/zinc/17/08/81/917170881.db2.gz GARKHJPAQWXSLA-LBPRGKRZSA-N 2 2 295.387 -0.889 20 30 CBEDLP CN(CC[NH+](C)CC(=O)NCC#N)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482584731 917170891 /nfs/dbraw/zinc/17/08/91/917170891.db2.gz GARKHJPAQWXSLA-LBPRGKRZSA-N 2 2 295.387 -0.889 20 30 CBEDLP CN(CC[NH+](C)CC(=O)NCC#N)C(=O)[C@@H]1CCC[N@H+]1C ZINC001482584731 917170916 /nfs/dbraw/zinc/17/09/16/917170916.db2.gz GARKHJPAQWXSLA-LBPRGKRZSA-N 2 2 295.387 -0.889 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482743954 917247989 /nfs/dbraw/zinc/24/79/89/917247989.db2.gz MRRVWNJTRPMXDW-QWHCGFSZSA-N 2 2 290.367 -0.465 20 30 CBEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001484242390 917783237 /nfs/dbraw/zinc/78/32/37/917783237.db2.gz YVVSEGNTEQYVAM-CQSZACIVSA-N 2 2 276.340 -0.472 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001484242390 917783252 /nfs/dbraw/zinc/78/32/52/917783252.db2.gz YVVSEGNTEQYVAM-CQSZACIVSA-N 2 2 276.340 -0.472 20 30 CBEDLP C#CC[NH2+]CCN(CCO)C(=O)CCc1[nH+]ccn1C ZINC001484489550 917871990 /nfs/dbraw/zinc/87/19/90/917871990.db2.gz WCYSRVDLMLPEOF-UHFFFAOYSA-N 2 2 278.356 -0.604 20 30 CBEDLP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484849978 917946545 /nfs/dbraw/zinc/94/65/45/917946545.db2.gz BWXHVVVTWQDPLO-AWEZNQCLSA-N 2 2 276.340 -0.472 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485234707 918038097 /nfs/dbraw/zinc/03/80/97/918038097.db2.gz NJEIMPUTQCCQQK-NEPJUHHUSA-N 2 2 293.371 -0.332 20 30 CBEDLP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485983912 918277708 /nfs/dbraw/zinc/27/77/08/918277708.db2.gz DNRNPOWGJBBAPV-GHMZBOCLSA-N 2 2 291.779 -0.864 20 30 CBEDLP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485983912 918277725 /nfs/dbraw/zinc/27/77/25/918277725.db2.gz DNRNPOWGJBBAPV-GHMZBOCLSA-N 2 2 291.779 -0.864 20 30 CBEDLP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001486012084 918305114 /nfs/dbraw/zinc/30/51/14/918305114.db2.gz ZUKPIERSLAJIAE-NWDGAFQWSA-N 2 2 278.356 -0.302 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001486313696 918423835 /nfs/dbraw/zinc/42/38/35/918423835.db2.gz FLEIPPFUFXAUPS-LLVKDONJSA-N 2 2 266.345 -0.144 20 30 CBEDLP CCC[N@H+](C)CCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001490513149 918924760 /nfs/dbraw/zinc/92/47/60/918924760.db2.gz FGSUOINPGCJFMF-UHFFFAOYSA-N 2 2 295.431 -0.024 20 30 CBEDLP CCC[N@@H+](C)CCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001490513149 918924768 /nfs/dbraw/zinc/92/47/68/918924768.db2.gz FGSUOINPGCJFMF-UHFFFAOYSA-N 2 2 295.431 -0.024 20 30 CBEDLP COCC#CC[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001492816223 919430611 /nfs/dbraw/zinc/43/06/11/919430611.db2.gz DCFIXJFNOZOSNM-UHFFFAOYSA-N 2 2 278.356 -0.340 20 30 CBEDLP COCC#CC[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001492816223 919430621 /nfs/dbraw/zinc/43/06/21/919430621.db2.gz DCFIXJFNOZOSNM-UHFFFAOYSA-N 2 2 278.356 -0.340 20 30 CBEDLP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001496195085 920043740 /nfs/dbraw/zinc/04/37/40/920043740.db2.gz WYMZRYFJRIMTNP-NSHDSACASA-N 2 2 291.355 -0.862 20 30 CBEDLP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001498661772 920622680 /nfs/dbraw/zinc/62/26/80/920622680.db2.gz YQFRIRYGOZMCAX-UHFFFAOYSA-N 2 2 291.355 -0.929 20 30 CBEDLP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001507505888 921860587 /nfs/dbraw/zinc/86/05/87/921860587.db2.gz ACEFTKHQIJHART-CYBMUJFWSA-N 2 2 294.355 -0.989 20 30 CBEDLP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001507513734 921865150 /nfs/dbraw/zinc/86/51/50/921865150.db2.gz CKRAMZQQMXYYFZ-GFCCVEGCSA-N 2 2 294.355 -0.989 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC001521533424 922365846 /nfs/dbraw/zinc/36/58/46/922365846.db2.gz HJKGUMYPDRKTIX-LLVKDONJSA-N 2 2 261.329 -0.884 20 30 CBEDLP C#CC[NH2+]CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001521579609 922369564 /nfs/dbraw/zinc/36/95/64/922369564.db2.gz 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C=CCNC(=O)C[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261703698 220244027 /nfs/dbraw/zinc/24/40/27/220244027.db2.gz CUSOYBNOFFDPJE-OAHLLOKOSA-N 2 2 280.416 -0.094 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261587837 220244583 /nfs/dbraw/zinc/24/45/83/220244583.db2.gz JSXTWWPEROWBHO-QWRGUYRKSA-N 2 2 266.345 -0.461 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261587837 220244588 /nfs/dbraw/zinc/24/45/88/220244588.db2.gz JSXTWWPEROWBHO-QWRGUYRKSA-N 2 2 266.345 -0.461 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261636987 220244623 /nfs/dbraw/zinc/24/46/23/220244623.db2.gz WOJHIRNBDUHQNR-GHMZBOCLSA-N 2 2 266.345 -0.318 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261636987 220244626 /nfs/dbraw/zinc/24/46/26/220244626.db2.gz WOJHIRNBDUHQNR-GHMZBOCLSA-N 2 2 266.345 -0.318 20 30 CBEDLP C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC2)C1 ZINC000328735355 220327683 /nfs/dbraw/zinc/32/76/83/220327683.db2.gz YZCXZZRPKZIYMS-LLVKDONJSA-N 2 2 256.350 -0.474 20 30 CBEDLP C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC2)C1 ZINC000328735355 220327685 /nfs/dbraw/zinc/32/76/85/220327685.db2.gz YZCXZZRPKZIYMS-LLVKDONJSA-N 2 2 256.350 -0.474 20 30 CBEDLP COCC#CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000679423337 545028780 /nfs/dbraw/zinc/02/87/80/545028780.db2.gz RVPLOABYOSBYIZ-UHFFFAOYSA-N 2 2 282.384 -0.205 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000374186748 275383738 /nfs/dbraw/zinc/38/37/38/275383738.db2.gz GGSHSKPMVCRAHN-KGLIPLIRSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000374186748 275383739 /nfs/dbraw/zinc/38/37/39/275383739.db2.gz GGSHSKPMVCRAHN-KGLIPLIRSA-N 2 2 279.384 -0.222 20 30 CBEDLP CO/N=C/C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367690455 277047160 /nfs/dbraw/zinc/04/71/60/277047160.db2.gz YSKQVHHJMWVLHY-LUHPIMIVSA-N 2 2 268.361 -0.097 20 30 CBEDLP CO/N=C/C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367690455 277047161 /nfs/dbraw/zinc/04/71/61/277047161.db2.gz YSKQVHHJMWVLHY-LUHPIMIVSA-N 2 2 268.361 -0.097 20 30 CBEDLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000564978188 327308911 /nfs/dbraw/zinc/30/89/11/327308911.db2.gz KOIQPJLNJSBATN-ZIAGYGMSSA-N 2 2 293.367 -0.190 20 30 CBEDLP C=CCN1CC[C@@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000570683598 327610933 /nfs/dbraw/zinc/61/09/33/327610933.db2.gz XNEQYDKYWHQJRR-ZIAGYGMSSA-N 2 2 278.400 -0.247 20 30 CBEDLP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)C[NH+](C)C1CC1 ZINC000327952062 330259950 /nfs/dbraw/zinc/25/99/50/330259950.db2.gz AGGXVYPHCZWTSO-AWEZNQCLSA-N 3 2 253.390 -0.014 20 30 CBEDLP C#CC[NH+](C)CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000327952062 330259951 /nfs/dbraw/zinc/25/99/51/330259951.db2.gz AGGXVYPHCZWTSO-AWEZNQCLSA-N 3 2 253.390 -0.014 20 30 CBEDLP C#CC[NH+](C)CCC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000327952062 330259953 /nfs/dbraw/zinc/25/99/53/330259953.db2.gz AGGXVYPHCZWTSO-AWEZNQCLSA-N 3 2 253.390 -0.014 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)C2CCC2)CC1 ZINC000490712010 332107022 /nfs/dbraw/zinc/10/70/22/332107022.db2.gz CFKIHRODXQCZES-UHFFFAOYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)C2CCC2)CC1 ZINC000490712010 332107023 /nfs/dbraw/zinc/10/70/23/332107023.db2.gz CFKIHRODXQCZES-UHFFFAOYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2(CO)CCC2)CC1 ZINC000491241605 332172557 /nfs/dbraw/zinc/17/25/57/332172557.db2.gz KFUGRBUGBVOXOI-UHFFFAOYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2(CO)CCC2)CC1 ZINC000491241605 332172558 /nfs/dbraw/zinc/17/25/58/332172558.db2.gz KFUGRBUGBVOXOI-UHFFFAOYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@]2(C)CO)CC1 ZINC000491669006 332276633 /nfs/dbraw/zinc/27/66/33/332276633.db2.gz WXEFLPHKPKDQTQ-ZBFHGGJFSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000491672168 332278920 /nfs/dbraw/zinc/27/89/20/332278920.db2.gz OUDWNEZHJBDBJM-ZDUSSCGKSA-N 3 2 281.404 -0.774 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000491672168 332278921 /nfs/dbraw/zinc/27/89/21/332278921.db2.gz OUDWNEZHJBDBJM-ZDUSSCGKSA-N 3 2 281.404 -0.774 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000491672168 332278923 /nfs/dbraw/zinc/27/89/23/332278923.db2.gz OUDWNEZHJBDBJM-ZDUSSCGKSA-N 3 2 281.404 -0.774 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000491672168 332278925 /nfs/dbraw/zinc/27/89/25/332278925.db2.gz OUDWNEZHJBDBJM-ZDUSSCGKSA-N 3 2 281.404 -0.774 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)C(=O)NCC)CC1 ZINC000491672226 332278946 /nfs/dbraw/zinc/27/89/46/332278946.db2.gz GWTLEIJYUNWBIA-UHFFFAOYSA-N 2 2 294.399 -0.732 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000491682183 332285075 /nfs/dbraw/zinc/28/50/75/332285075.db2.gz QFZBNIZBNKCQMG-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000491682183 332285076 /nfs/dbraw/zinc/28/50/76/332285076.db2.gz QFZBNIZBNKCQMG-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@@H]2CC)CC1 ZINC000491717985 332307084 /nfs/dbraw/zinc/30/70/84/332307084.db2.gz SJORRLBULYLPTD-GJZGRUSLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)[C@@H]2CC)CC1 ZINC000491717985 332307085 /nfs/dbraw/zinc/30/70/85/332307085.db2.gz SJORRLBULYLPTD-GJZGRUSLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC000491723399 332308135 /nfs/dbraw/zinc/30/81/35/332308135.db2.gz BGJLZHHABLCEKY-CABCVRRESA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC000491723399 332308137 /nfs/dbraw/zinc/30/81/37/332308137.db2.gz BGJLZHHABLCEKY-CABCVRRESA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000491734152 332315095 /nfs/dbraw/zinc/31/50/95/332315095.db2.gz SJMOZYDRZXSUIY-ZDUSSCGKSA-N 2 2 267.373 -0.438 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000491734152 332315096 /nfs/dbraw/zinc/31/50/96/332315096.db2.gz SJMOZYDRZXSUIY-ZDUSSCGKSA-N 2 2 267.373 -0.438 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000491745222 332323004 /nfs/dbraw/zinc/32/30/04/332323004.db2.gz OOVHAGKGPNZJQF-AWEZNQCLSA-N 2 2 278.400 -0.600 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000491745222 332323006 /nfs/dbraw/zinc/32/30/06/332323006.db2.gz OOVHAGKGPNZJQF-AWEZNQCLSA-N 2 2 278.400 -0.600 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@H](C)CO)CC1 ZINC000491745617 332323515 /nfs/dbraw/zinc/32/35/15/332323515.db2.gz UBIIGYWARSENHI-OLZOCXBDSA-N 2 2 267.373 -0.630 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000491783884 332347339 /nfs/dbraw/zinc/34/73/39/332347339.db2.gz PTPVHDJXLTVMLB-CQSZACIVSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000491783884 332347341 /nfs/dbraw/zinc/34/73/41/332347341.db2.gz PTPVHDJXLTVMLB-CQSZACIVSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000491804468 332358202 /nfs/dbraw/zinc/35/82/02/332358202.db2.gz MHIPCWSEDIDECQ-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000491804468 332358203 /nfs/dbraw/zinc/35/82/03/332358203.db2.gz MHIPCWSEDIDECQ-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP CN(CCC#N)C[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000576149311 335160692 /nfs/dbraw/zinc/16/06/92/335160692.db2.gz SQFOSGJVQBWIPB-LBPRGKRZSA-N 2 2 251.334 -0.321 20 30 CBEDLP C[C@@H]1C[N@H+](C)CC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000752161397 582294585 /nfs/dbraw/zinc/29/45/85/582294585.db2.gz WUVSSYWLIKEUJY-LLVKDONJSA-N 2 2 299.444 -0.280 20 30 CBEDLP C[C@@H]1C[N@@H+](C)CC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000752161397 582294586 /nfs/dbraw/zinc/29/45/86/582294586.db2.gz WUVSSYWLIKEUJY-LLVKDONJSA-N 2 2 299.444 -0.280 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](OC)C2)CC1 ZINC000752322850 582294881 /nfs/dbraw/zinc/29/48/81/582294881.db2.gz RMKNLDWQWLLWML-CYBMUJFWSA-N 2 2 265.357 -0.516 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](OC)C2)CC1 ZINC000752322850 582294882 /nfs/dbraw/zinc/29/48/82/582294882.db2.gz RMKNLDWQWLLWML-CYBMUJFWSA-N 2 2 265.357 -0.516 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000761075543 582314349 /nfs/dbraw/zinc/31/43/49/582314349.db2.gz GABLRIZFPCNDQE-CQSZACIVSA-N 2 2 278.400 -0.600 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000761075543 582314350 /nfs/dbraw/zinc/31/43/50/582314350.db2.gz GABLRIZFPCNDQE-CQSZACIVSA-N 2 2 278.400 -0.600 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC000768769129 582334563 /nfs/dbraw/zinc/33/45/63/582334563.db2.gz NCMGJMHPJHVHDG-QWHCGFSZSA-N 2 2 265.357 -0.924 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC000768769129 582334564 /nfs/dbraw/zinc/33/45/64/582334564.db2.gz NCMGJMHPJHVHDG-QWHCGFSZSA-N 2 2 265.357 -0.924 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCOCC[C@H]2C)CC1 ZINC000775570852 582352922 /nfs/dbraw/zinc/35/29/22/582352922.db2.gz WZEICBRCPFDEAG-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCOCC[C@H]2C)CC1 ZINC000775570852 582352923 /nfs/dbraw/zinc/35/29/23/582352923.db2.gz WZEICBRCPFDEAG-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C[NH+](C)CCCNC(=S)N[NH+]=Cc1cnc(N)nc1 ZINC000781594260 582366296 /nfs/dbraw/zinc/36/62/96/582366296.db2.gz FIPMMZWYJFEADR-UHFFFAOYSA-N 2 2 281.389 -0.192 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000796574888 582412020 /nfs/dbraw/zinc/41/20/20/582412020.db2.gz HYULFBARDMSTOL-UHFFFAOYSA-N 2 2 288.351 -0.038 20 30 CBEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818986164 582524180 /nfs/dbraw/zinc/52/41/80/582524180.db2.gz HGKILTPDUXNJSL-ZNMIVQPWSA-N 2 2 296.415 -0.354 20 30 CBEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818986164 582524183 /nfs/dbraw/zinc/52/41/83/582524183.db2.gz HGKILTPDUXNJSL-ZNMIVQPWSA-N 2 2 296.415 -0.354 20 30 CBEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818986161 582524211 /nfs/dbraw/zinc/52/42/11/582524211.db2.gz HGKILTPDUXNJSL-KFWWJZLASA-N 2 2 296.415 -0.354 20 30 CBEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818986161 582524213 /nfs/dbraw/zinc/52/42/13/582524213.db2.gz HGKILTPDUXNJSL-KFWWJZLASA-N 2 2 296.415 -0.354 20 30 CBEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000818986162 582524330 /nfs/dbraw/zinc/52/43/30/582524330.db2.gz HGKILTPDUXNJSL-RBSFLKMASA-N 2 2 296.415 -0.354 20 30 CBEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000818986162 582524331 /nfs/dbraw/zinc/52/43/31/582524331.db2.gz HGKILTPDUXNJSL-RBSFLKMASA-N 2 2 296.415 -0.354 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000822952614 582654231 /nfs/dbraw/zinc/65/42/31/582654231.db2.gz VJWQTJIGMQSYFZ-LBPRGKRZSA-N 2 2 255.362 -0.059 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000822952614 582654233 /nfs/dbraw/zinc/65/42/33/582654233.db2.gz VJWQTJIGMQSYFZ-LBPRGKRZSA-N 2 2 255.362 -0.059 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)[C@H]2C)CC1 ZINC000832220411 583018418 /nfs/dbraw/zinc/01/84/18/583018418.db2.gz URXUCPHGBAZSIE-CHWSQXEVSA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@H]2C)CC1 ZINC000832220411 583018421 /nfs/dbraw/zinc/01/84/21/583018421.db2.gz URXUCPHGBAZSIE-CHWSQXEVSA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)CCO)CC1 ZINC000844445809 583270787 /nfs/dbraw/zinc/27/07/87/583270787.db2.gz DRRCALRSJSTOKX-CYBMUJFWSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)CCO)CC1 ZINC000844445809 583270788 /nfs/dbraw/zinc/27/07/88/583270788.db2.gz DRRCALRSJSTOKX-CYBMUJFWSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)[C@H]1CCCO1 ZINC000846860241 583389887 /nfs/dbraw/zinc/38/98/87/583389887.db2.gz JFQHHPRHBCNRKE-HZSPNIEDSA-N 2 2 270.373 -0.304 20 30 CBEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)[C@H]1CCCO1 ZINC000846860241 583389889 /nfs/dbraw/zinc/38/98/89/583389889.db2.gz JFQHHPRHBCNRKE-HZSPNIEDSA-N 2 2 270.373 -0.304 20 30 CBEDLP C#CCCS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849429667 583482481 /nfs/dbraw/zinc/48/24/81/583482481.db2.gz TVKZBKDYJMFYKN-UHFFFAOYSA-N 2 2 275.418 -0.187 20 30 CBEDLP C#CCCS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000849429667 583482483 /nfs/dbraw/zinc/48/24/83/583482483.db2.gz TVKZBKDYJMFYKN-UHFFFAOYSA-N 2 2 275.418 -0.187 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852010909 583533263 /nfs/dbraw/zinc/53/32/63/583533263.db2.gz VROJPAMCDBNQGB-AWEZNQCLSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852010909 583533265 /nfs/dbraw/zinc/53/32/65/583533265.db2.gz VROJPAMCDBNQGB-AWEZNQCLSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852010910 583533425 /nfs/dbraw/zinc/53/34/25/583533425.db2.gz VROJPAMCDBNQGB-CQSZACIVSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852010910 583533428 /nfs/dbraw/zinc/53/34/28/583533428.db2.gz VROJPAMCDBNQGB-CQSZACIVSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2COCCO2)CC1 ZINC000852497033 583547711 /nfs/dbraw/zinc/54/77/11/583547711.db2.gz UWNGAYXRDUHEJN-CQSZACIVSA-N 2 2 295.383 -0.889 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2COCCO2)CC1 ZINC000852497033 583547712 /nfs/dbraw/zinc/54/77/12/583547712.db2.gz UWNGAYXRDUHEJN-CQSZACIVSA-N 2 2 295.383 -0.889 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3COC[C@@]3(C)C2)CC1 ZINC000852535392 583548209 /nfs/dbraw/zinc/54/82/09/583548209.db2.gz ZSFKOPVCYQOVIS-GOEBONIOSA-N 2 2 291.395 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)CC1 ZINC000852535392 583548211 /nfs/dbraw/zinc/54/82/11/583548211.db2.gz ZSFKOPVCYQOVIS-GOEBONIOSA-N 2 2 291.395 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)[C@](C)(CO)C2)CC1 ZINC000852701121 583550903 /nfs/dbraw/zinc/55/09/03/583550903.db2.gz MMVBCOPJSQQRTF-HOCLYGCPSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)CC1 ZINC000852701121 583550905 /nfs/dbraw/zinc/55/09/05/583550905.db2.gz MMVBCOPJSQQRTF-HOCLYGCPSA-N 2 2 293.411 -0.286 20 30 CBEDLP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852906817 583573416 /nfs/dbraw/zinc/57/34/16/583573416.db2.gz UCXJWKHCWVMCBR-HNNXBMFYSA-N 2 2 291.395 -0.078 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854355310 583600370 /nfs/dbraw/zinc/60/03/70/583600370.db2.gz YXEWRHJLJQPGFY-CABCVRRESA-N 2 2 290.411 -0.410 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000854355310 583600371 /nfs/dbraw/zinc/60/03/71/583600371.db2.gz YXEWRHJLJQPGFY-CABCVRRESA-N 2 2 290.411 -0.410 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000854355310 583600373 /nfs/dbraw/zinc/60/03/73/583600373.db2.gz YXEWRHJLJQPGFY-CABCVRRESA-N 2 2 290.411 -0.410 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+]2CCN1CCC2 ZINC000854355310 583600375 /nfs/dbraw/zinc/60/03/75/583600375.db2.gz YXEWRHJLJQPGFY-CABCVRRESA-N 2 2 290.411 -0.410 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000854467582 583604731 /nfs/dbraw/zinc/60/47/31/583604731.db2.gz VLFWUNFXVWLTGK-NEPJUHHUSA-N 2 2 253.346 -0.877 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000854467582 583604732 /nfs/dbraw/zinc/60/47/32/583604732.db2.gz VLFWUNFXVWLTGK-NEPJUHHUSA-N 2 2 253.346 -0.877 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000858493210 583696369 /nfs/dbraw/zinc/69/63/69/583696369.db2.gz MFYRTMJHJIJJDP-CYBMUJFWSA-N 2 2 282.388 -0.429 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000858493210 583696370 /nfs/dbraw/zinc/69/63/70/583696370.db2.gz MFYRTMJHJIJJDP-CYBMUJFWSA-N 2 2 282.388 -0.429 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000858493210 583696371 /nfs/dbraw/zinc/69/63/71/583696371.db2.gz MFYRTMJHJIJJDP-CYBMUJFWSA-N 2 2 282.388 -0.429 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000858493210 583696372 /nfs/dbraw/zinc/69/63/72/583696372.db2.gz MFYRTMJHJIJJDP-CYBMUJFWSA-N 2 2 282.388 -0.429 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863323630 583838310 /nfs/dbraw/zinc/83/83/10/583838310.db2.gz QMHGMSGIBZLGTL-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863323630 583838312 /nfs/dbraw/zinc/83/83/12/583838312.db2.gz QMHGMSGIBZLGTL-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000863323630 583838313 /nfs/dbraw/zinc/83/83/13/583838313.db2.gz QMHGMSGIBZLGTL-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000863323630 583838315 /nfs/dbraw/zinc/83/83/15/583838315.db2.gz QMHGMSGIBZLGTL-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865085762 583895946 /nfs/dbraw/zinc/89/59/46/583895946.db2.gz QFRCARHNQQFZPB-LBPRGKRZSA-N 2 2 262.313 -0.389 20 30 CBEDLP C[NH+]1CCC(C#N)(NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000865199860 583900692 /nfs/dbraw/zinc/90/06/92/583900692.db2.gz WEXZFMCIDKZEPC-NSCUHMNNSA-N 2 2 292.383 -0.021 20 30 CBEDLP C[N@@H+]1CCn2nc(NC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cc2C1 ZINC000868206413 583972876 /nfs/dbraw/zinc/97/28/76/583972876.db2.gz XHBHBWCTPGWZOB-ONGXEEELSA-N 2 2 289.343 -0.438 20 30 CBEDLP C[N@H+]1CCn2nc(NC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cc2C1 ZINC000868206413 583972878 /nfs/dbraw/zinc/97/28/78/583972878.db2.gz XHBHBWCTPGWZOB-ONGXEEELSA-N 2 2 289.343 -0.438 20 30 CBEDLP C[C@@H]1C(=NNC(=S)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000872329528 584055841 /nfs/dbraw/zinc/05/58/41/584055841.db2.gz RYDSBOFSIWRUSO-LLVKDONJSA-N 2 2 299.444 -0.137 20 30 CBEDLP C[C@@H]1C(=NNC(=S)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000872329528 584055843 /nfs/dbraw/zinc/05/58/43/584055843.db2.gz RYDSBOFSIWRUSO-LLVKDONJSA-N 2 2 299.444 -0.137 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876802812 584146732 /nfs/dbraw/zinc/14/67/32/584146732.db2.gz SKLQVLSARXZSDL-JZIZGNRHSA-N 2 2 264.329 -0.897 20 30 CBEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000877034395 584162712 /nfs/dbraw/zinc/16/27/12/584162712.db2.gz GXJGROWYTIABRA-VHSXEESVSA-N 2 2 261.753 -0.097 20 30 CBEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000877034395 584162713 /nfs/dbraw/zinc/16/27/13/584162713.db2.gz GXJGROWYTIABRA-VHSXEESVSA-N 2 2 261.753 -0.097 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000884018294 584355927 /nfs/dbraw/zinc/35/59/27/584355927.db2.gz RTEKHADOADBCSO-MNOVXSKESA-N 2 2 269.345 -0.309 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[NH2+]C1CC1 ZINC000884024366 584356373 /nfs/dbraw/zinc/35/63/73/584356373.db2.gz PQDKAAGUTOQDPP-JTQLQIEISA-N 2 2 255.318 -0.699 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000884023924 584356440 /nfs/dbraw/zinc/35/64/40/584356440.db2.gz BYZFVLZIDUDSDZ-ZJUUUORDSA-N 2 2 255.318 -0.699 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[NH+]1CCOCC1 ZINC000884175920 584364158 /nfs/dbraw/zinc/36/41/58/584364158.db2.gz NDSYCBRMBHSBAY-LBPRGKRZSA-N 2 2 299.371 -0.729 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000884247497 584369947 /nfs/dbraw/zinc/36/99/47/584369947.db2.gz WYPDUSOWVYODHF-NSHDSACASA-N 2 2 283.372 -0.061 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000884292679 584372547 /nfs/dbraw/zinc/37/25/47/584372547.db2.gz ILSRJVAEGCYSOQ-GUBZILKMSA-N 2 2 273.308 -0.751 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000884471476 584383453 /nfs/dbraw/zinc/38/34/53/584383453.db2.gz XTXAIXWSURLJNQ-AGIUHOORSA-N 2 2 295.383 -0.014 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884471476 584383454 /nfs/dbraw/zinc/38/34/54/584383454.db2.gz XTXAIXWSURLJNQ-AGIUHOORSA-N 2 2 295.383 -0.014 20 30 CBEDLP C#CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000886581027 584443795 /nfs/dbraw/zinc/44/37/95/584443795.db2.gz HBIXHUDEJMYLOQ-CQSZACIVSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000886581027 584443797 /nfs/dbraw/zinc/44/37/97/584443797.db2.gz HBIXHUDEJMYLOQ-CQSZACIVSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000895898569 584689379 /nfs/dbraw/zinc/68/93/79/584689379.db2.gz XTGZISLYRZTCOR-UHFFFAOYSA-N 2 2 291.395 -0.125 20 30 CBEDLP C=C(CC[NH+](C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000899928117 584785506 /nfs/dbraw/zinc/78/55/06/584785506.db2.gz DGSOHDJGUFMKHA-UHFFFAOYSA-N 2 2 255.362 -0.057 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900474664 584806498 /nfs/dbraw/zinc/80/64/98/584806498.db2.gz UIVVUAOHWLHVLB-UKRRQHHQSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900474664 584806500 /nfs/dbraw/zinc/80/65/00/584806500.db2.gz UIVVUAOHWLHVLB-UKRRQHHQSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969440438 612996562 /nfs/dbraw/zinc/99/65/62/612996562.db2.gz GUCQVLCQHXZACT-JSGCOSHPSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969440438 612996564 /nfs/dbraw/zinc/99/65/64/612996564.db2.gz GUCQVLCQHXZACT-JSGCOSHPSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969442557 613123996 /nfs/dbraw/zinc/12/39/96/613123996.db2.gz RSENNBTWJKRBOD-WCQYABFASA-N 2 2 265.357 -0.613 20 30 CBEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969442557 613123998 /nfs/dbraw/zinc/12/39/98/613123998.db2.gz RSENNBTWJKRBOD-WCQYABFASA-N 2 2 265.357 -0.613 20 30 CBEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969958664 613124513 /nfs/dbraw/zinc/12/45/13/613124513.db2.gz MQQATVRXVVFCKU-MBNYWOFBSA-N 2 2 279.384 -0.225 20 30 CBEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969958664 613124515 /nfs/dbraw/zinc/12/45/15/613124515.db2.gz MQQATVRXVVFCKU-MBNYWOFBSA-N 2 2 279.384 -0.225 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000971703570 613196284 /nfs/dbraw/zinc/19/62/84/613196284.db2.gz IEGQBAKOUDANPC-OLZOCXBDSA-N 2 2 292.383 -0.898 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(N)=O)C1 ZINC000971703570 613196285 /nfs/dbraw/zinc/19/62/85/613196285.db2.gz IEGQBAKOUDANPC-OLZOCXBDSA-N 2 2 292.383 -0.898 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000971703570 613196286 /nfs/dbraw/zinc/19/62/86/613196286.db2.gz IEGQBAKOUDANPC-OLZOCXBDSA-N 2 2 292.383 -0.898 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC(N)=O)C1 ZINC000971703570 613196287 /nfs/dbraw/zinc/19/62/87/613196287.db2.gz IEGQBAKOUDANPC-OLZOCXBDSA-N 2 2 292.383 -0.898 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC000974686488 613202826 /nfs/dbraw/zinc/20/28/26/613202826.db2.gz PCSJQYRSJJHNQF-KBPBESRZSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCO)CC1(C)C ZINC000974686488 613202827 /nfs/dbraw/zinc/20/28/27/613202827.db2.gz PCSJQYRSJJHNQF-KBPBESRZSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCO)CC1(C)C ZINC000974686488 613202828 /nfs/dbraw/zinc/20/28/28/613202828.db2.gz PCSJQYRSJJHNQF-KBPBESRZSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCO)CC1(C)C ZINC000974686488 613202830 /nfs/dbraw/zinc/20/28/30/613202830.db2.gz PCSJQYRSJJHNQF-KBPBESRZSA-N 2 2 293.411 -0.097 20 30 CBEDLP COCC[N@H+](C)CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000171412946 656083159 /nfs/dbraw/zinc/08/31/59/656083159.db2.gz DAEGVDJVSSCCNK-LLVKDONJSA-N 2 2 258.366 -0.352 20 30 CBEDLP COCC[N@@H+](C)CCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000171412946 656083160 /nfs/dbraw/zinc/08/31/60/656083160.db2.gz DAEGVDJVSSCCNK-LLVKDONJSA-N 2 2 258.366 -0.352 20 30 CBEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(C)(=O)=O ZINC000303901702 656140445 /nfs/dbraw/zinc/14/04/45/656140445.db2.gz SVHHHICEFVXXAP-SNVBAGLBSA-N 2 2 276.406 -0.580 20 30 CBEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(C)(=O)=O ZINC000303901702 656140448 /nfs/dbraw/zinc/14/04/48/656140448.db2.gz SVHHHICEFVXXAP-SNVBAGLBSA-N 2 2 276.406 -0.580 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000905621091 656363531 /nfs/dbraw/zinc/36/35/31/656363531.db2.gz ZLLBGZCPRPSFOZ-CQSZACIVSA-N 2 2 279.384 -0.031 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000905621091 656363533 /nfs/dbraw/zinc/36/35/33/656363533.db2.gz ZLLBGZCPRPSFOZ-CQSZACIVSA-N 2 2 279.384 -0.031 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906483341 656388995 /nfs/dbraw/zinc/38/89/95/656388995.db2.gz FCFAXVHIUFOELU-UHFFFAOYSA-N 2 2 292.427 -0.353 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906483341 656388997 /nfs/dbraw/zinc/38/89/97/656388997.db2.gz FCFAXVHIUFOELU-UHFFFAOYSA-N 2 2 292.427 -0.353 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010434724 657185436 /nfs/dbraw/zinc/18/54/36/657185436.db2.gz FJKLQUWAQBCDDV-RYUDHWBXSA-N 2 2 251.330 -0.859 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010434724 657185448 /nfs/dbraw/zinc/18/54/48/657185448.db2.gz FJKLQUWAQBCDDV-RYUDHWBXSA-N 2 2 251.330 -0.859 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010434724 657185454 /nfs/dbraw/zinc/18/54/54/657185454.db2.gz FJKLQUWAQBCDDV-RYUDHWBXSA-N 2 2 251.330 -0.859 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010434724 657185464 /nfs/dbraw/zinc/18/54/64/657185464.db2.gz FJKLQUWAQBCDDV-RYUDHWBXSA-N 2 2 251.330 -0.859 20 30 CBEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015608741 657475665 /nfs/dbraw/zinc/47/56/65/657475665.db2.gz SUEHYQGJFVWDTK-ZIAGYGMSSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015608741 657475679 /nfs/dbraw/zinc/47/56/79/657475679.db2.gz SUEHYQGJFVWDTK-ZIAGYGMSSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015608741 657475689 /nfs/dbraw/zinc/47/56/89/657475689.db2.gz SUEHYQGJFVWDTK-ZIAGYGMSSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015608741 657475718 /nfs/dbraw/zinc/47/57/18/657475718.db2.gz SUEHYQGJFVWDTK-ZIAGYGMSSA-N 2 2 279.384 -0.081 20 30 CBEDLP C[NH+](C)CC#CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000913522327 657488524 /nfs/dbraw/zinc/48/85/24/657488524.db2.gz DRJUFOVJHWEEJT-WAYWQWQTSA-N 2 2 265.357 -0.444 20 30 CBEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001016552173 657718523 /nfs/dbraw/zinc/71/85/23/657718523.db2.gz IYXOHEJMUQFNCY-UONOGXRCSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001016552173 657718534 /nfs/dbraw/zinc/71/85/34/657718534.db2.gz IYXOHEJMUQFNCY-UONOGXRCSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001019799160 657944272 /nfs/dbraw/zinc/94/42/72/657944272.db2.gz CPNPKUGYYPYCNR-LSDHHAIUSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000923551653 658318487 /nfs/dbraw/zinc/31/84/87/658318487.db2.gz CANMKBWJVIXLNA-GJZGRUSLSA-N 2 2 291.395 -0.079 20 30 CBEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC#CCO ZINC000923762317 658470849 /nfs/dbraw/zinc/47/08/49/658470849.db2.gz BRMKEHXBQYPWAS-UHFFFAOYSA-N 2 2 270.377 -0.835 20 30 CBEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC#CCO ZINC000923762317 658470811 /nfs/dbraw/zinc/47/08/11/658470811.db2.gz BRMKEHXBQYPWAS-UHFFFAOYSA-N 2 2 270.377 -0.835 20 30 CBEDLP C#CC1(O)CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000931141704 659386164 /nfs/dbraw/zinc/38/61/64/659386164.db2.gz GDKHSZSMJXZKEW-CQSZACIVSA-N 2 2 293.411 -0.001 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076811937 805630106 /nfs/dbraw/zinc/63/01/06/805630106.db2.gz XERZQBDEXRPAIK-GRYCIOLGSA-N 2 2 253.346 -0.572 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076811937 805630112 /nfs/dbraw/zinc/63/01/12/805630112.db2.gz XERZQBDEXRPAIK-GRYCIOLGSA-N 2 2 253.346 -0.572 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076811937 805630116 /nfs/dbraw/zinc/63/01/16/805630116.db2.gz XERZQBDEXRPAIK-GRYCIOLGSA-N 2 2 253.346 -0.572 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076811937 805630119 /nfs/dbraw/zinc/63/01/19/805630119.db2.gz XERZQBDEXRPAIK-GRYCIOLGSA-N 2 2 253.346 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C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083998261 806473979 /nfs/dbraw/zinc/47/39/79/806473979.db2.gz YIHJZIWGMMICFD-OLZOCXBDSA-N 2 2 278.356 -0.002 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959111 806470770 /nfs/dbraw/zinc/47/07/70/806470770.db2.gz GUXQVCHTXWFHSO-OLZOCXBDSA-N 2 2 277.368 -0.733 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959111 806470773 /nfs/dbraw/zinc/47/07/73/806470773.db2.gz GUXQVCHTXWFHSO-OLZOCXBDSA-N 2 2 277.368 -0.733 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057716 806483161 /nfs/dbraw/zinc/48/31/61/806483161.db2.gz YVBAUKMYCLYUCF-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057716 806483164 /nfs/dbraw/zinc/48/31/64/806483164.db2.gz YVBAUKMYCLYUCF-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084077805 806487118 /nfs/dbraw/zinc/48/71/18/806487118.db2.gz BZGBFNWMYVYGLP-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084077805 806487122 /nfs/dbraw/zinc/48/71/22/806487122.db2.gz BZGBFNWMYVYGLP-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084077805 806487125 /nfs/dbraw/zinc/48/71/25/806487125.db2.gz BZGBFNWMYVYGLP-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084077805 806487129 /nfs/dbraw/zinc/48/71/29/806487129.db2.gz BZGBFNWMYVYGLP-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027351104 799042513 /nfs/dbraw/zinc/04/25/13/799042513.db2.gz QIDYGKKAXRFPNV-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027351104 799042515 /nfs/dbraw/zinc/04/25/15/799042515.db2.gz QIDYGKKAXRFPNV-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001027351104 799042518 /nfs/dbraw/zinc/04/25/18/799042518.db2.gz QIDYGKKAXRFPNV-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001027351104 799042520 /nfs/dbraw/zinc/04/25/20/799042520.db2.gz QIDYGKKAXRFPNV-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027804757 799080759 /nfs/dbraw/zinc/08/07/59/799080759.db2.gz HKPNEGNKIJIGJF-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027804757 799080762 /nfs/dbraw/zinc/08/07/62/799080762.db2.gz HKPNEGNKIJIGJF-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027804757 799080767 /nfs/dbraw/zinc/08/07/67/799080767.db2.gz HKPNEGNKIJIGJF-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027804757 799080772 /nfs/dbraw/zinc/08/07/72/799080772.db2.gz HKPNEGNKIJIGJF-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCO)C2)CC1 ZINC001031434868 799488835 /nfs/dbraw/zinc/48/88/35/799488835.db2.gz IJDONFYFZRDXSM-UHFFFAOYSA-N 2 2 279.384 -0.486 20 30 CBEDLP C#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031919962 799563127 /nfs/dbraw/zinc/56/31/27/799563127.db2.gz NJAXECZESSQSKQ-CQSZACIVSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031919962 799563136 /nfs/dbraw/zinc/56/31/36/799563136.db2.gz NJAXECZESSQSKQ-CQSZACIVSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032331984 799614568 /nfs/dbraw/zinc/61/45/68/799614568.db2.gz OKHKWZLEAWTTKN-IHRRRGAJSA-N 2 2 277.368 -0.375 20 30 CBEDLP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032331984 799614572 /nfs/dbraw/zinc/61/45/72/799614572.db2.gz OKHKWZLEAWTTKN-IHRRRGAJSA-N 2 2 277.368 -0.375 20 30 CBEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331984 799614575 /nfs/dbraw/zinc/61/45/75/799614575.db2.gz OKHKWZLEAWTTKN-IHRRRGAJSA-N 2 2 277.368 -0.375 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331984 799614578 /nfs/dbraw/zinc/61/45/78/799614578.db2.gz OKHKWZLEAWTTKN-IHRRRGAJSA-N 2 2 277.368 -0.375 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032453564 799628933 /nfs/dbraw/zinc/62/89/33/799628933.db2.gz FVTROBMRESAKKM-KKUMJFAQSA-N 2 2 291.395 -0.249 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032453564 799628935 /nfs/dbraw/zinc/62/89/35/799628935.db2.gz FVTROBMRESAKKM-KKUMJFAQSA-N 2 2 291.395 -0.249 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCO ZINC001032453564 799628937 /nfs/dbraw/zinc/62/89/37/799628937.db2.gz FVTROBMRESAKKM-KKUMJFAQSA-N 2 2 291.395 -0.249 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCO ZINC001032453564 799628938 /nfs/dbraw/zinc/62/89/38/799628938.db2.gz FVTROBMRESAKKM-KKUMJFAQSA-N 2 2 291.395 -0.249 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032981424 799698986 /nfs/dbraw/zinc/69/89/86/799698986.db2.gz SBKGWOZQIFKUCO-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032981424 799698990 /nfs/dbraw/zinc/69/89/90/799698990.db2.gz SBKGWOZQIFKUCO-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032981424 799698993 /nfs/dbraw/zinc/69/89/93/799698993.db2.gz SBKGWOZQIFKUCO-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032981424 799698997 /nfs/dbraw/zinc/69/89/97/799698997.db2.gz SBKGWOZQIFKUCO-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032976759 799700232 /nfs/dbraw/zinc/70/02/32/799700232.db2.gz QMVJLLIEPOMEBO-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032976759 799700234 /nfs/dbraw/zinc/70/02/34/799700234.db2.gz QMVJLLIEPOMEBO-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032976759 799700237 /nfs/dbraw/zinc/70/02/37/799700237.db2.gz QMVJLLIEPOMEBO-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032976759 799700239 /nfs/dbraw/zinc/70/02/39/799700239.db2.gz QMVJLLIEPOMEBO-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001033782087 799790070 /nfs/dbraw/zinc/79/00/70/799790070.db2.gz ZCFZAZNBPDXSIN-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001033782087 799790075 /nfs/dbraw/zinc/79/00/75/799790075.db2.gz ZCFZAZNBPDXSIN-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001033782087 799790080 /nfs/dbraw/zinc/79/00/80/799790080.db2.gz ZCFZAZNBPDXSIN-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001033782087 799790084 /nfs/dbraw/zinc/79/00/84/799790084.db2.gz ZCFZAZNBPDXSIN-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034149535 799815243 /nfs/dbraw/zinc/81/52/43/799815243.db2.gz XWCBGAILGNHPRV-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034149535 799815250 /nfs/dbraw/zinc/81/52/50/799815250.db2.gz XWCBGAILGNHPRV-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149535 799815255 /nfs/dbraw/zinc/81/52/55/799815255.db2.gz XWCBGAILGNHPRV-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149535 799815258 /nfs/dbraw/zinc/81/52/58/799815258.db2.gz XWCBGAILGNHPRV-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038398634 800107777 /nfs/dbraw/zinc/10/77/77/800107777.db2.gz HOCYUNXSRLYSEZ-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038398634 800107757 /nfs/dbraw/zinc/10/77/57/800107757.db2.gz HOCYUNXSRLYSEZ-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038398634 800107766 /nfs/dbraw/zinc/10/77/66/800107766.db2.gz HOCYUNXSRLYSEZ-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038398634 800107772 /nfs/dbraw/zinc/10/77/72/800107772.db2.gz HOCYUNXSRLYSEZ-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038625987 801227387 /nfs/dbraw/zinc/22/73/87/801227387.db2.gz YGAHJRJVPJQYSH-KBPBESRZSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001038625987 801227382 /nfs/dbraw/zinc/22/73/82/801227382.db2.gz YGAHJRJVPJQYSH-KBPBESRZSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001038625987 801227385 /nfs/dbraw/zinc/22/73/85/801227385.db2.gz YGAHJRJVPJQYSH-KBPBESRZSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038625987 801227392 /nfs/dbraw/zinc/22/73/92/801227392.db2.gz YGAHJRJVPJQYSH-KBPBESRZSA-N 2 2 279.384 -0.081 20 30 CBEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047322562 801834826 /nfs/dbraw/zinc/83/48/26/801834826.db2.gz QPLBBWWROBDZNX-AVGNSLFASA-N 2 2 267.373 -0.230 20 30 CBEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047322562 801834835 /nfs/dbraw/zinc/83/48/35/801834835.db2.gz QPLBBWWROBDZNX-AVGNSLFASA-N 2 2 267.373 -0.230 20 30 CBEDLP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001047322562 801834842 /nfs/dbraw/zinc/83/48/42/801834842.db2.gz QPLBBWWROBDZNX-AVGNSLFASA-N 2 2 267.373 -0.230 20 30 CBEDLP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001047322562 801834849 /nfs/dbraw/zinc/83/48/49/801834849.db2.gz QPLBBWWROBDZNX-AVGNSLFASA-N 2 2 267.373 -0.230 20 30 CBEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545644 801897367 /nfs/dbraw/zinc/89/73/67/801897367.db2.gz UGPVCWMDFJVTAK-STQMWFEESA-N 2 2 276.340 -0.521 20 30 CBEDLP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001047635492 801914279 /nfs/dbraw/zinc/91/42/79/801914279.db2.gz XPRXKGKQIAZFKD-IHRRRGAJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001047635492 801914283 /nfs/dbraw/zinc/91/42/83/801914283.db2.gz XPRXKGKQIAZFKD-IHRRRGAJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001047635492 801914287 /nfs/dbraw/zinc/91/42/87/801914287.db2.gz XPRXKGKQIAZFKD-IHRRRGAJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001047635492 801914291 /nfs/dbraw/zinc/91/42/91/801914291.db2.gz XPRXKGKQIAZFKD-IHRRRGAJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052274965 802191099 /nfs/dbraw/zinc/19/10/99/802191099.db2.gz DQXXOHUZTKJVJX-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052274965 802191103 /nfs/dbraw/zinc/19/11/03/802191103.db2.gz DQXXOHUZTKJVJX-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052274965 802191106 /nfs/dbraw/zinc/19/11/06/802191106.db2.gz DQXXOHUZTKJVJX-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052274965 802191111 /nfs/dbraw/zinc/19/11/11/802191111.db2.gz DQXXOHUZTKJVJX-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001054008341 802323300 /nfs/dbraw/zinc/32/33/00/802323300.db2.gz WSVINCVZEOANQE-KBPBESRZSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001054008341 802323308 /nfs/dbraw/zinc/32/33/08/802323308.db2.gz WSVINCVZEOANQE-KBPBESRZSA-N 2 2 291.395 -0.079 20 30 CBEDLP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001322136266 803865251 /nfs/dbraw/zinc/86/52/51/803865251.db2.gz RUQUOOXWUQMTFD-QWHCGFSZSA-N 2 2 267.373 -0.223 20 30 CBEDLP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001322136266 803865259 /nfs/dbraw/zinc/86/52/59/803865259.db2.gz RUQUOOXWUQMTFD-QWHCGFSZSA-N 2 2 267.373 -0.223 20 30 CBEDLP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001322136266 803865268 /nfs/dbraw/zinc/86/52/68/803865268.db2.gz RUQUOOXWUQMTFD-QWHCGFSZSA-N 2 2 267.373 -0.223 20 30 CBEDLP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001322136266 803865278 /nfs/dbraw/zinc/86/52/78/803865278.db2.gz RUQUOOXWUQMTFD-QWHCGFSZSA-N 2 2 267.373 -0.223 20 30 CBEDLP COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001323349542 804014180 /nfs/dbraw/zinc/01/41/80/804014180.db2.gz AGKSBXANBOMFAQ-UONOGXRCSA-N 2 2 279.384 -0.222 20 30 CBEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001323349542 804014188 /nfs/dbraw/zinc/01/41/88/804014188.db2.gz AGKSBXANBOMFAQ-UONOGXRCSA-N 2 2 279.384 -0.222 20 30 CBEDLP COCC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001323349542 804014196 /nfs/dbraw/zinc/01/41/96/804014196.db2.gz AGKSBXANBOMFAQ-UONOGXRCSA-N 2 2 279.384 -0.222 20 30 CBEDLP COCC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001323349542 804014206 /nfs/dbraw/zinc/01/42/06/804014206.db2.gz AGKSBXANBOMFAQ-UONOGXRCSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001325224862 804262502 /nfs/dbraw/zinc/26/25/02/804262502.db2.gz MRLUWXCNYDRIMK-UHFFFAOYSA-N 2 2 279.384 -0.343 20 30 CBEDLP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(C#N)CCC2)CC1 ZINC001325879071 804330837 /nfs/dbraw/zinc/33/08/37/804330837.db2.gz NIKRWUFXHBCYHF-ZDUSSCGKSA-N 2 2 266.389 -0.122 20 30 CBEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001070303250 805179635 /nfs/dbraw/zinc/17/96/35/805179635.db2.gz SNDVHPFVTYBUOO-NEPJUHHUSA-N 2 2 299.338 -0.781 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075644941 805520695 /nfs/dbraw/zinc/52/06/95/805520695.db2.gz IMMZUBIAPJOZMR-BFHYXJOUSA-N 2 2 277.368 -0.517 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075644941 805520697 /nfs/dbraw/zinc/52/06/97/805520697.db2.gz IMMZUBIAPJOZMR-BFHYXJOUSA-N 2 2 277.368 -0.517 20 30 CBEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644941 805520701 /nfs/dbraw/zinc/52/07/01/805520701.db2.gz IMMZUBIAPJOZMR-BFHYXJOUSA-N 2 2 277.368 -0.517 20 30 CBEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644941 805520708 /nfs/dbraw/zinc/52/07/08/805520708.db2.gz IMMZUBIAPJOZMR-BFHYXJOUSA-N 2 2 277.368 -0.517 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495183 815164240 /nfs/dbraw/zinc/16/42/40/815164240.db2.gz FCDAYRVHRLRJBQ-UHFFFAOYSA-N 2 2 250.302 -0.761 20 30 CBEDLP N#C[C@H]1C[NH2+]CCN1c1ccc(N2CC[NH2+]CC2)nn1 ZINC001156320640 815353701 /nfs/dbraw/zinc/35/37/01/815353701.db2.gz BNOOCSDRDDBUHK-NSHDSACASA-N 2 2 273.344 -0.812 20 30 CBEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920214 810312586 /nfs/dbraw/zinc/31/25/86/810312586.db2.gz IBCHSBILPDPZGY-QLFBSQMISA-N 2 2 291.395 -0.270 20 30 CBEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920214 810312593 /nfs/dbraw/zinc/31/25/93/810312593.db2.gz IBCHSBILPDPZGY-QLFBSQMISA-N 2 2 291.395 -0.270 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920214 810312598 /nfs/dbraw/zinc/31/25/98/810312598.db2.gz IBCHSBILPDPZGY-QLFBSQMISA-N 2 2 291.395 -0.270 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920214 810312607 /nfs/dbraw/zinc/31/26/07/810312607.db2.gz IBCHSBILPDPZGY-QLFBSQMISA-N 2 2 291.395 -0.270 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090677992 810548806 /nfs/dbraw/zinc/54/88/06/810548806.db2.gz CSCZUPSQKXXTQH-VXGBXAGGSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090677992 810548811 /nfs/dbraw/zinc/54/88/11/810548811.db2.gz CSCZUPSQKXXTQH-VXGBXAGGSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728113 810555566 /nfs/dbraw/zinc/55/55/66/810555566.db2.gz OTTNICHKODHBAE-CHWSQXEVSA-N 2 2 276.340 -0.853 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728113 810555574 /nfs/dbraw/zinc/55/55/74/810555574.db2.gz OTTNICHKODHBAE-CHWSQXEVSA-N 2 2 276.340 -0.853 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808711 810569821 /nfs/dbraw/zinc/56/98/21/810569821.db2.gz OCKUDGCEXUMKAG-KBPBESRZSA-N 2 2 290.367 -0.234 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808711 810569824 /nfs/dbraw/zinc/56/98/24/810569824.db2.gz OCKUDGCEXUMKAG-KBPBESRZSA-N 2 2 290.367 -0.234 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090848393 810575583 /nfs/dbraw/zinc/57/55/83/810575583.db2.gz FYTCUVLABLMWNT-STQMWFEESA-N 2 2 276.340 -0.542 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090848393 810575588 /nfs/dbraw/zinc/57/55/88/810575588.db2.gz FYTCUVLABLMWNT-STQMWFEESA-N 2 2 276.340 -0.542 20 30 CBEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001096912033 810788432 /nfs/dbraw/zinc/78/84/32/810788432.db2.gz VUPKFWIQDLTOAK-MQYQWHSLSA-N 2 2 277.368 -0.328 20 30 CBEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001096912033 810788437 /nfs/dbraw/zinc/78/84/37/810788437.db2.gz VUPKFWIQDLTOAK-MQYQWHSLSA-N 2 2 277.368 -0.328 20 30 CBEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001096912033 810788441 /nfs/dbraw/zinc/78/84/41/810788441.db2.gz VUPKFWIQDLTOAK-MQYQWHSLSA-N 2 2 277.368 -0.328 20 30 CBEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001096912033 810788446 /nfs/dbraw/zinc/78/84/46/810788446.db2.gz VUPKFWIQDLTOAK-MQYQWHSLSA-N 2 2 277.368 -0.328 20 30 CBEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001096912034 810788754 /nfs/dbraw/zinc/78/87/54/810788754.db2.gz VUPKFWIQDLTOAK-YIYPIFLZSA-N 2 2 277.368 -0.328 20 30 CBEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001096912034 810788762 /nfs/dbraw/zinc/78/87/62/810788762.db2.gz VUPKFWIQDLTOAK-YIYPIFLZSA-N 2 2 277.368 -0.328 20 30 CBEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001096912034 810788770 /nfs/dbraw/zinc/78/87/70/810788770.db2.gz VUPKFWIQDLTOAK-YIYPIFLZSA-N 2 2 277.368 -0.328 20 30 CBEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001096912034 810788777 /nfs/dbraw/zinc/78/87/77/810788777.db2.gz VUPKFWIQDLTOAK-YIYPIFLZSA-N 2 2 277.368 -0.328 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099805228 810944234 /nfs/dbraw/zinc/94/42/34/810944234.db2.gz YVQOSMZTYIFGTR-CHWSQXEVSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099805228 810944241 /nfs/dbraw/zinc/94/42/41/810944241.db2.gz YVQOSMZTYIFGTR-CHWSQXEVSA-N 2 2 290.367 -0.083 20 30 CBEDLP CC(C)C[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(=O)NO ZINC001157303416 815421099 /nfs/dbraw/zinc/42/10/99/815421099.db2.gz HFFOAWIRMZKPOC-DNJQJEMRSA-N 2 2 284.360 -0.756 20 30 CBEDLP C=C1C[NH2+][C@](C)(C(=O)N2CC[NH2+]C[C@@H]2C(=O)OCC)C1 ZINC001157999515 815497377 /nfs/dbraw/zinc/49/73/77/815497377.db2.gz SFRPJZLLNANBIH-RISCZKNCSA-N 2 2 281.356 -0.342 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC001122003318 813103565 /nfs/dbraw/zinc/10/35/65/813103565.db2.gz QVLGOOPVKZRVMQ-UHFFFAOYSA-N 2 2 267.373 -0.222 20 30 CBEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381397 814027652 /nfs/dbraw/zinc/02/76/52/814027652.db2.gz MKCQCUWHHVLWEI-UHFFFAOYSA-N 2 2 296.415 -0.225 20 30 CBEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131381397 814027661 /nfs/dbraw/zinc/02/76/61/814027661.db2.gz MKCQCUWHHVLWEI-UHFFFAOYSA-N 2 2 296.415 -0.225 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134399543 814381806 /nfs/dbraw/zinc/38/18/06/814381806.db2.gz CIZVCXVDIVDWQQ-SNVBAGLBSA-N 2 2 279.344 -0.651 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134495396 814387900 /nfs/dbraw/zinc/38/79/00/814387900.db2.gz YFZCTSBHANGKQH-LBPRGKRZSA-N 2 2 293.371 -0.158 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080498 814436093 /nfs/dbraw/zinc/43/60/93/814436093.db2.gz VIQWCSMKWWAOGC-GFCCVEGCSA-N 2 2 278.356 -0.056 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135080498 814436098 /nfs/dbraw/zinc/43/60/98/814436098.db2.gz VIQWCSMKWWAOGC-GFCCVEGCSA-N 2 2 278.356 -0.056 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)CC[C@H]([NH3+])C(=O)OC)CC1 ZINC001160431828 815621193 /nfs/dbraw/zinc/62/11/93/815621193.db2.gz FVANTRKSGRIXDI-NSHDSACASA-N 2 2 269.345 -0.403 20 30 CBEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCOC[C@H]1C#N ZINC001160932254 815687965 /nfs/dbraw/zinc/68/79/65/815687965.db2.gz AFWXYPONWIFIDV-MNOVXSKESA-N 2 2 263.301 -0.959 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163588703 815891423 /nfs/dbraw/zinc/89/14/23/815891423.db2.gz NPMIHSSVYGSQHY-UHFFFAOYSA-N 2 2 293.371 -0.329 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001317640649 817037042 /nfs/dbraw/zinc/03/70/42/817037042.db2.gz AZVCWGXZCKQPEL-NSHDSACASA-N 2 2 291.355 -0.862 20 30 CBEDLP CC[C@@H](C(=O)N(C)CC[NH+]1CCN(CC#N)CC1)[NH+](C)C ZINC001317824052 817050991 /nfs/dbraw/zinc/05/09/91/817050991.db2.gz JXPLTDUMFFNSDT-AWEZNQCLSA-N 2 2 295.431 -0.074 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001317981872 817059796 /nfs/dbraw/zinc/05/97/96/817059796.db2.gz UXTPFQNNABACCC-ZDUSSCGKSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001317981872 817059806 /nfs/dbraw/zinc/05/98/06/817059806.db2.gz UXTPFQNNABACCC-ZDUSSCGKSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318302680 817095273 /nfs/dbraw/zinc/09/52/73/817095273.db2.gz RFIAQJRVLJCAOR-OLZOCXBDSA-N 2 2 294.399 -0.569 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001318302680 817095278 /nfs/dbraw/zinc/09/52/78/817095278.db2.gz RFIAQJRVLJCAOR-OLZOCXBDSA-N 2 2 294.399 -0.569 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001318302680 817095286 /nfs/dbraw/zinc/09/52/86/817095286.db2.gz RFIAQJRVLJCAOR-OLZOCXBDSA-N 2 2 294.399 -0.569 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001318302680 817095290 /nfs/dbraw/zinc/09/52/90/817095290.db2.gz RFIAQJRVLJCAOR-OLZOCXBDSA-N 2 2 294.399 -0.569 20 30 CBEDLP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001320283325 817312255 /nfs/dbraw/zinc/31/22/55/817312255.db2.gz XXXZPSMKARZVSO-LLVKDONJSA-N 2 2 252.318 -0.405 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001320283290 817313350 /nfs/dbraw/zinc/31/33/50/817313350.db2.gz XHQOORIDNFRYSV-NSHDSACASA-N 2 2 250.302 -0.958 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167350051 820083121 /nfs/dbraw/zinc/08/31/21/820083121.db2.gz PJZDPPLSPJEZPN-LLVKDONJSA-N 2 2 291.355 -0.814 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169229330 820213734 /nfs/dbraw/zinc/21/37/34/820213734.db2.gz XRKBOBUSTYXNMO-NSHDSACASA-N 2 2 293.371 -0.261 20 30 CBEDLP CC#CC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001283814186 828552683 /nfs/dbraw/zinc/55/26/83/828552683.db2.gz VGBOZCKTFPKWAP-LLVKDONJSA-N 2 2 250.302 -0.958 20 30 CBEDLP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191785369 823923303 /nfs/dbraw/zinc/92/33/03/823923303.db2.gz QKARJGXVXPUTLX-HZSPNIEDSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191785369 823923311 /nfs/dbraw/zinc/92/33/11/823923311.db2.gz QKARJGXVXPUTLX-HZSPNIEDSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191785369 823923324 /nfs/dbraw/zinc/92/33/24/823923324.db2.gz QKARJGXVXPUTLX-HZSPNIEDSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191785369 823923332 /nfs/dbraw/zinc/92/33/32/823923332.db2.gz QKARJGXVXPUTLX-HZSPNIEDSA-N 2 2 297.399 -0.556 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001284447414 828596357 /nfs/dbraw/zinc/59/63/57/828596357.db2.gz UMRIFWRMULGPJP-WCQYABFASA-N 2 2 278.356 -0.370 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001284447414 828596358 /nfs/dbraw/zinc/59/63/58/828596358.db2.gz UMRIFWRMULGPJP-WCQYABFASA-N 2 2 278.356 -0.370 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193447924 824028392 /nfs/dbraw/zinc/02/83/92/824028392.db2.gz ZQXPQVRIFDBMBC-YNEHKIRRSA-N 2 2 285.363 -0.539 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193447924 824028396 /nfs/dbraw/zinc/02/83/96/824028396.db2.gz ZQXPQVRIFDBMBC-YNEHKIRRSA-N 2 2 285.363 -0.539 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001193792172 824046643 /nfs/dbraw/zinc/04/66/43/824046643.db2.gz ZWKKAVTVZXMEIP-CHWSQXEVSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193792172 824046647 /nfs/dbraw/zinc/04/66/47/824046647.db2.gz ZWKKAVTVZXMEIP-CHWSQXEVSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193792172 824046651 /nfs/dbraw/zinc/04/66/51/824046651.db2.gz ZWKKAVTVZXMEIP-CHWSQXEVSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193792172 824046655 /nfs/dbraw/zinc/04/66/55/824046655.db2.gz ZWKKAVTVZXMEIP-CHWSQXEVSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193953264 824053219 /nfs/dbraw/zinc/05/32/19/824053219.db2.gz IIZUMGKTMPDXBC-UPJWGTAASA-N 2 2 267.373 -0.633 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193953264 824053221 /nfs/dbraw/zinc/05/32/21/824053221.db2.gz IIZUMGKTMPDXBC-UPJWGTAASA-N 2 2 267.373 -0.633 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194085629 824059306 /nfs/dbraw/zinc/05/93/06/824059306.db2.gz GMHAMLGZMDWTHJ-IJLUTSLNSA-N 2 2 253.346 -0.879 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194085629 824059310 /nfs/dbraw/zinc/05/93/10/824059310.db2.gz GMHAMLGZMDWTHJ-IJLUTSLNSA-N 2 2 253.346 -0.879 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196940979 824173956 /nfs/dbraw/zinc/17/39/56/824173956.db2.gz YRKQJFYWXHRSCI-CHWSQXEVSA-N 2 2 283.372 -0.944 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196940979 824173962 /nfs/dbraw/zinc/17/39/62/824173962.db2.gz YRKQJFYWXHRSCI-CHWSQXEVSA-N 2 2 283.372 -0.944 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198019876 824214029 /nfs/dbraw/zinc/21/40/29/824214029.db2.gz BKJGRMJVFOUUDO-VXGBXAGGSA-N 2 2 253.346 -0.877 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198019876 824214037 /nfs/dbraw/zinc/21/40/37/824214037.db2.gz BKJGRMJVFOUUDO-VXGBXAGGSA-N 2 2 253.346 -0.877 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198019876 824214042 /nfs/dbraw/zinc/21/40/42/824214042.db2.gz BKJGRMJVFOUUDO-VXGBXAGGSA-N 2 2 253.346 -0.877 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198019876 824214050 /nfs/dbraw/zinc/21/40/50/824214050.db2.gz BKJGRMJVFOUUDO-VXGBXAGGSA-N 2 2 253.346 -0.877 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218543121 824589268 /nfs/dbraw/zinc/58/92/68/824589268.db2.gz LYYPGBDYWJIYOV-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218543121 824589271 /nfs/dbraw/zinc/58/92/71/824589271.db2.gz LYYPGBDYWJIYOV-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218575539 824597043 /nfs/dbraw/zinc/59/70/43/824597043.db2.gz MNCGPEGMHYUBHY-QWHCGFSZSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218575539 824597037 /nfs/dbraw/zinc/59/70/37/824597037.db2.gz MNCGPEGMHYUBHY-QWHCGFSZSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#C[C@](C)([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218668686 824619687 /nfs/dbraw/zinc/61/96/87/824619687.db2.gz GOKBEGOLGTVYOR-AWEZNQCLSA-N 2 2 291.355 -0.496 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218803120 824640068 /nfs/dbraw/zinc/64/00/68/824640068.db2.gz GHCLKRAYVDXRCD-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724191 824886993 /nfs/dbraw/zinc/88/69/93/824886993.db2.gz AYUNMGXFROKVPA-MCIONIFRSA-N 2 2 299.390 -0.149 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724191 824886999 /nfs/dbraw/zinc/88/69/99/824886999.db2.gz AYUNMGXFROKVPA-MCIONIFRSA-N 2 2 299.390 -0.149 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219869671 824905967 /nfs/dbraw/zinc/90/59/67/824905967.db2.gz QRRMXPKKHZBFBN-UPJWGTAASA-N 2 2 267.373 -0.489 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219869671 824905971 /nfs/dbraw/zinc/90/59/71/824905971.db2.gz QRRMXPKKHZBFBN-UPJWGTAASA-N 2 2 267.373 -0.489 20 30 CBEDLP C=C(C)C(=O)NCCCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220043171 824942808 /nfs/dbraw/zinc/94/28/08/824942808.db2.gz HUTFNPWHLVZACS-FZMZJTMJSA-N 2 2 280.372 -0.864 20 30 CBEDLP C=CCCCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220484883 825047947 /nfs/dbraw/zinc/04/79/47/825047947.db2.gz YWFAHFOGGZVGNH-LBPRGKRZSA-N 2 2 254.378 -0.181 20 30 CBEDLP C=C[C@H]1C[C@@]1(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)OCC ZINC001220573511 825067557 /nfs/dbraw/zinc/06/75/57/825067557.db2.gz NPBTUPMOOOEXBB-YVNDNENWSA-N 2 2 267.329 -0.843 20 30 CBEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220868145 825114692 /nfs/dbraw/zinc/11/46/92/825114692.db2.gz CJKUCYCWPVGQQS-WOPDTQHZSA-N 3 2 252.362 -0.558 20 30 CBEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220868145 825114696 /nfs/dbraw/zinc/11/46/96/825114696.db2.gz CJKUCYCWPVGQQS-WOPDTQHZSA-N 3 2 252.362 -0.558 20 30 CBEDLP N#CC1(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCOCC1 ZINC001220967092 825129496 /nfs/dbraw/zinc/12/94/96/825129496.db2.gz REUXCEHIQWCJAJ-ZWNOBZJWSA-N 2 2 264.329 -0.873 20 30 CBEDLP N#CC1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCOCC1 ZINC001220966660 825129909 /nfs/dbraw/zinc/12/99/09/825129909.db2.gz AHISNJNFLVCIMX-GARJFASQSA-N 2 2 264.329 -0.875 20 30 CBEDLP N#CC1(NC(=O)C2([NH3+])CC[NH2+]CC2)CCOCC1 ZINC001220967160 825130226 /nfs/dbraw/zinc/13/02/26/825130226.db2.gz UNCDANIGYYXRAS-UHFFFAOYSA-N 2 2 252.318 -0.744 20 30 CBEDLP C=CC[C@@](C)(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)OC ZINC001221381664 825179736 /nfs/dbraw/zinc/17/97/36/825179736.db2.gz HHGGCVLTALDPEI-GXFFZTMASA-N 2 2 280.328 -0.097 20 30 CBEDLP C=CC[C@@](C)(NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)C(=O)OC ZINC001221382513 825180544 /nfs/dbraw/zinc/18/05/44/825180544.db2.gz UMUCYQZIMLKQEE-LERXQTSPSA-N 2 2 281.356 -0.438 20 30 CBEDLP C=CCOC[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019875 825623298 /nfs/dbraw/zinc/62/32/98/825623298.db2.gz AUYZLJFOLJXEFR-RDBSUJKOSA-N 2 2 269.389 -0.424 20 30 CBEDLP COC(=O)[C@@H]1C[C@H](NC2(C#N)CC[NH+](C)CC2)C[NH2+]1 ZINC001246442263 825672793 /nfs/dbraw/zinc/67/27/93/825672793.db2.gz ITALMCCFECVDRP-QWRGUYRKSA-N 2 2 266.345 -0.533 20 30 CBEDLP C=C[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001253609541 825919399 /nfs/dbraw/zinc/91/93/99/825919399.db2.gz VGLYXPXUFAMCPZ-NSHDSACASA-N 2 2 252.318 -0.405 20 30 CBEDLP C=C[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001253609541 825919410 /nfs/dbraw/zinc/91/94/10/825919410.db2.gz VGLYXPXUFAMCPZ-NSHDSACASA-N 2 2 252.318 -0.405 20 30 CBEDLP NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC001261643918 826554563 /nfs/dbraw/zinc/55/45/63/826554563.db2.gz KJAZFUVPAJUXQQ-CYBMUJFWSA-N 2 2 292.383 -0.945 20 30 CBEDLP NC(=O)C[N@H+]1CCC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC001261643918 826554565 /nfs/dbraw/zinc/55/45/65/826554565.db2.gz KJAZFUVPAJUXQQ-CYBMUJFWSA-N 2 2 292.383 -0.945 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001263896411 826790363 /nfs/dbraw/zinc/79/03/63/826790363.db2.gz YHKBUORMUBNHOS-NSHDSACASA-N 2 2 279.344 -0.699 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001263896411 826790370 /nfs/dbraw/zinc/79/03/70/826790370.db2.gz YHKBUORMUBNHOS-NSHDSACASA-N 2 2 279.344 -0.699 20 30 CBEDLP C#CC[N@@H+](C)CCOCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001264111625 826801166 /nfs/dbraw/zinc/80/11/66/826801166.db2.gz RMFOTKPBABYINT-UHFFFAOYSA-N 2 2 278.356 -0.077 20 30 CBEDLP C#CC[N@H+](C)CCOCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001264111625 826801177 /nfs/dbraw/zinc/80/11/77/826801177.db2.gz RMFOTKPBABYINT-UHFFFAOYSA-N 2 2 278.356 -0.077 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001265807240 826921965 /nfs/dbraw/zinc/92/19/65/826921965.db2.gz WWAXNDYRPWWXHC-LBPRGKRZSA-N 2 2 291.355 -0.883 20 30 CBEDLP COCC#CC[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266995417 827104801 /nfs/dbraw/zinc/10/48/01/827104801.db2.gz HNKLYXAVMWXGGV-GFCCVEGCSA-N 2 2 264.329 -0.373 20 30 CBEDLP COCC#CC[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001267143938 827117994 /nfs/dbraw/zinc/11/79/94/827117994.db2.gz UYYUORIXMWJGJU-UHFFFAOYSA-N 2 2 264.329 -0.419 20 30 CBEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267738348 827211152 /nfs/dbraw/zinc/21/11/52/827211152.db2.gz WMBRFLFBHHZHNH-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267738348 827211157 /nfs/dbraw/zinc/21/11/57/827211157.db2.gz WMBRFLFBHHZHNH-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267738348 827211166 /nfs/dbraw/zinc/21/11/66/827211166.db2.gz WMBRFLFBHHZHNH-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267738348 827211173 /nfs/dbraw/zinc/21/11/73/827211173.db2.gz WMBRFLFBHHZHNH-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001268029717 827245848 /nfs/dbraw/zinc/24/58/48/827245848.db2.gz YPNABCYDNRJYHQ-AWEZNQCLSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001268029717 827245852 /nfs/dbraw/zinc/24/58/52/827245852.db2.gz YPNABCYDNRJYHQ-AWEZNQCLSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268315576 827295802 /nfs/dbraw/zinc/29/58/02/827295802.db2.gz NYZKEWMWLKQLFD-GXTWGEPZSA-N 2 2 290.367 -0.465 20 30 CBEDLP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CCn1cc[nH+]c1 ZINC001268656025 827394866 /nfs/dbraw/zinc/39/48/66/827394866.db2.gz CSYFLIOTPDOZPD-LLVKDONJSA-N 2 2 292.343 -0.993 20 30 CBEDLP C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001268844720 827430526 /nfs/dbraw/zinc/43/05/26/827430526.db2.gz XTNCDAXBCTXXFH-CYBMUJFWSA-N 2 2 294.399 -0.876 20 30 CBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001269285365 827489501 /nfs/dbraw/zinc/48/95/01/827489501.db2.gz JBTRQCYMPISEGD-QWHCGFSZSA-N 2 2 296.415 -0.181 20 30 CBEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001269285365 827489506 /nfs/dbraw/zinc/48/95/06/827489506.db2.gz JBTRQCYMPISEGD-QWHCGFSZSA-N 2 2 296.415 -0.181 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271387842 827698107 /nfs/dbraw/zinc/69/81/07/827698107.db2.gz GRNWODNKHZDZAC-GFCCVEGCSA-N 2 2 265.357 -0.876 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001271387842 827698112 /nfs/dbraw/zinc/69/81/12/827698112.db2.gz GRNWODNKHZDZAC-GFCCVEGCSA-N 2 2 265.357 -0.876 20 30 CBEDLP C#CCCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273541944 827910379 /nfs/dbraw/zinc/91/03/79/827910379.db2.gz MMCLJHRWGMWOQW-UHFFFAOYSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)Cc1[nH]cc[nH+]1 ZINC001273681131 827918216 /nfs/dbraw/zinc/91/82/16/827918216.db2.gz LSXMPHUTYBHKDT-UHFFFAOYSA-N 2 2 291.355 -0.860 20 30 CBEDLP C#CCN1C[C@]2(CC[N@@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001273711486 827921030 /nfs/dbraw/zinc/92/10/30/827921030.db2.gz DXLCUNGFTKSWRC-OAHLLOKOSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CCN1C[C@]2(CC[N@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001273711486 827921033 /nfs/dbraw/zinc/92/10/33/827921033.db2.gz DXLCUNGFTKSWRC-OAHLLOKOSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001275467988 828088977 /nfs/dbraw/zinc/08/89/77/828088977.db2.gz SLHJFVJVNFPTDA-RYUDHWBXSA-N 2 2 291.355 -0.885 20 30 CBEDLP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001275800803 828116228 /nfs/dbraw/zinc/11/62/28/828116228.db2.gz LFSAETMGXWHXBF-ZIAGYGMSSA-N 2 2 297.399 -0.597 20 30 CBEDLP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001275800803 828116229 /nfs/dbraw/zinc/11/62/29/828116229.db2.gz LFSAETMGXWHXBF-ZIAGYGMSSA-N 2 2 297.399 -0.597 20 30 CBEDLP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275800803 828116231 /nfs/dbraw/zinc/11/62/31/828116231.db2.gz LFSAETMGXWHXBF-ZIAGYGMSSA-N 2 2 297.399 -0.597 20 30 CBEDLP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275800803 828116232 /nfs/dbraw/zinc/11/62/32/828116232.db2.gz LFSAETMGXWHXBF-ZIAGYGMSSA-N 2 2 297.399 -0.597 20 30 CBEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001276719233 828156847 /nfs/dbraw/zinc/15/68/47/828156847.db2.gz XJYGXHJLBZGWBK-XYYAHUGASA-N 2 2 258.325 -0.121 20 30 CBEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001276719233 828156850 /nfs/dbraw/zinc/15/68/50/828156850.db2.gz XJYGXHJLBZGWBK-XYYAHUGASA-N 2 2 258.325 -0.121 20 30 CBEDLP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001278104934 828247273 /nfs/dbraw/zinc/24/72/73/828247273.db2.gz BYFBXIGRWJOKQR-CHWSQXEVSA-N 2 2 290.367 -0.465 20 30 CBEDLP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001278099552 828247771 /nfs/dbraw/zinc/24/77/71/828247771.db2.gz MKOOOSXNEMLZBO-GMTAPVOTSA-N 2 2 264.329 -0.234 20 30 CBEDLP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001278099552 828247774 /nfs/dbraw/zinc/24/77/74/828247774.db2.gz MKOOOSXNEMLZBO-GMTAPVOTSA-N 2 2 264.329 -0.234 20 30 CBEDLP CC#CC[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001278178831 828255484 /nfs/dbraw/zinc/25/54/84/828255484.db2.gz LHRWGYXKDKOEOI-NSHDSACASA-N 2 2 264.329 -0.947 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001278778726 828287566 /nfs/dbraw/zinc/28/75/66/828287566.db2.gz CNBBZGWHOSMXDO-LBPRGKRZSA-N 2 2 286.335 -0.010 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001278809834 828292293 /nfs/dbraw/zinc/29/22/93/828292293.db2.gz IMOZJMJPQXECSW-QWHCGFSZSA-N 2 2 278.356 -0.124 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001278923141 828311763 /nfs/dbraw/zinc/31/17/63/828311763.db2.gz WPMREBLTTVBVEM-CYBMUJFWSA-N 2 2 281.400 -0.241 20 30 CBEDLP C#CC[NH2+]CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC001340891652 889506088 /nfs/dbraw/zinc/50/60/88/889506088.db2.gz BMDYFEVZNFWCFG-CYBMUJFWSA-N 2 2 266.389 -0.791 20 30 CBEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001342036653 889702200 /nfs/dbraw/zinc/70/22/00/889702200.db2.gz RETATLWJKZCWKP-NXEZZACHSA-N 2 2 261.753 -0.409 20 30 CBEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001342036653 889702210 /nfs/dbraw/zinc/70/22/10/889702210.db2.gz RETATLWJKZCWKP-NXEZZACHSA-N 2 2 261.753 -0.409 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601913 884644932 /nfs/dbraw/zinc/64/49/32/884644932.db2.gz WCRXYGNLQGTNAT-STQMWFEESA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601913 884644942 /nfs/dbraw/zinc/64/49/42/884644942.db2.gz WCRXYGNLQGTNAT-STQMWFEESA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001327033313 885230231 /nfs/dbraw/zinc/23/02/31/885230231.db2.gz FELYSGKMYIUKOO-LBPRGKRZSA-N 2 2 262.313 -0.598 20 30 CBEDLP C=CCn1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)nn1 ZINC001327992080 885549939 /nfs/dbraw/zinc/54/99/39/885549939.db2.gz MDPCQXGGXBJXPT-AWEZNQCLSA-N 2 2 294.403 -0.838 20 30 CBEDLP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001329099768 885926016 /nfs/dbraw/zinc/92/60/16/885926016.db2.gz NIRSINNPUCXMEZ-NWDGAFQWSA-N 2 2 295.387 -0.536 20 30 CBEDLP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001329099768 885926027 /nfs/dbraw/zinc/92/60/27/885926027.db2.gz NIRSINNPUCXMEZ-NWDGAFQWSA-N 2 2 295.387 -0.536 20 30 CBEDLP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001329099770 885927018 /nfs/dbraw/zinc/92/70/18/885927018.db2.gz NIRSINNPUCXMEZ-VXGBXAGGSA-N 2 2 295.387 -0.536 20 30 CBEDLP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001329099770 885927034 /nfs/dbraw/zinc/92/70/34/885927034.db2.gz NIRSINNPUCXMEZ-VXGBXAGGSA-N 2 2 295.387 -0.536 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001330882072 886613373 /nfs/dbraw/zinc/61/33/73/886613373.db2.gz BPSMWHGZMITBPL-MJVIPROJSA-N 2 2 281.356 -0.166 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001335076007 888403611 /nfs/dbraw/zinc/40/36/11/888403611.db2.gz FCPKBXXABAYNCQ-JTQLQIEISA-N 2 2 252.318 -0.313 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC001335411913 888525579 /nfs/dbraw/zinc/52/55/79/888525579.db2.gz KKBOANZJDMFXFH-OAHLLOKOSA-N 2 2 296.411 -0.034 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]CCC(=O)NC(N)=O)CC1 ZINC001336794784 888881899 /nfs/dbraw/zinc/88/18/99/888881899.db2.gz NDLWYFSNJPTDOO-UHFFFAOYSA-N 2 2 252.318 -0.741 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC001338505728 889170680 /nfs/dbraw/zinc/17/06/80/889170680.db2.gz SWLXKMQMINTHGT-ZDUSSCGKSA-N 2 2 252.358 -0.051 20 30 CBEDLP C=CCCC[C@@H]([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001342199476 889728433 /nfs/dbraw/zinc/72/84/33/889728433.db2.gz LTMOKESQAVGCFQ-ZIAGYGMSSA-N 2 2 299.415 -0.179 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)COCCOC)CC1 ZINC001353322181 891404014 /nfs/dbraw/zinc/40/40/14/891404014.db2.gz DNRWZVNQSUAYFH-AWEZNQCLSA-N 2 2 270.373 -0.303 20 30 CBEDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)CC#N)CC2)C1 ZINC001354448319 891581994 /nfs/dbraw/zinc/58/19/94/891581994.db2.gz PGKHMMJOHQYHMF-ZIAGYGMSSA-N 2 2 266.389 -0.027 20 30 CBEDLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)CC#N)CC2)C1 ZINC001354448319 891581998 /nfs/dbraw/zinc/58/19/98/891581998.db2.gz PGKHMMJOHQYHMF-ZIAGYGMSSA-N 2 2 266.389 -0.027 20 30 CBEDLP C[N@@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H](CO)C1 ZINC001356252671 891744436 /nfs/dbraw/zinc/74/44/36/891744436.db2.gz IZEWCOKWWXAJMD-CYBMUJFWSA-N 2 2 265.357 -0.876 20 30 CBEDLP C[N@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H](CO)C1 ZINC001356252671 891744441 /nfs/dbraw/zinc/74/44/41/891744441.db2.gz IZEWCOKWWXAJMD-CYBMUJFWSA-N 2 2 265.357 -0.876 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001357404909 891886943 /nfs/dbraw/zinc/88/69/43/891886943.db2.gz PUXWKFBTBHWWOF-ZDUSSCGKSA-N 2 2 278.400 -0.506 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001374586294 897284337 /nfs/dbraw/zinc/28/43/37/897284337.db2.gz GUNIVTCXIIFGSL-MNOVXSKESA-N 2 2 291.779 -0.864 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001374586294 897284349 /nfs/dbraw/zinc/28/43/49/897284349.db2.gz GUNIVTCXIIFGSL-MNOVXSKESA-N 2 2 291.779 -0.864 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505721213 921472675 /nfs/dbraw/zinc/47/26/75/921472675.db2.gz SCRNYSVFKYJXRZ-WDEREUQCSA-N 2 2 291.355 -0.816 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001505767739 921477877 /nfs/dbraw/zinc/47/78/77/921477877.db2.gz GBMVSCJXECLVAI-RYUDHWBXSA-N 2 2 291.355 -0.885 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)CC[NH+](C)C)C1 ZINC001506117208 921551427 /nfs/dbraw/zinc/55/14/27/921551427.db2.gz ZITQHZPMWXPHNG-UHFFFAOYSA-N 2 2 267.373 -0.486 20 30 CBEDLP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001506845854 921626600 /nfs/dbraw/zinc/62/66/00/921626600.db2.gz WIXXZITUAHRGQI-YPMHNXCESA-N 2 2 276.340 -0.209 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=C)Cl ZINC001507204066 921741473 /nfs/dbraw/zinc/74/14/73/921741473.db2.gz PCIGGPFNUIOXCQ-STQMWFEESA-N 2 2 299.802 -0.097 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=C)Cl ZINC001507204066 921741485 /nfs/dbraw/zinc/74/14/85/921741485.db2.gz PCIGGPFNUIOXCQ-STQMWFEESA-N 2 2 299.802 -0.097 20 30 CBEDLP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001507211231 921744027 /nfs/dbraw/zinc/74/40/27/921744027.db2.gz JYYBILDXYVSDDH-NEPJUHHUSA-N 2 2 276.340 -0.855 20 30 CBEDLP C[C@H](NC(=O)NCC#CC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC001469310944 915397817 /nfs/dbraw/zinc/39/78/17/915397817.db2.gz AKRBNBXQPHAYMZ-QWHCGFSZSA-N 2 2 282.388 -0.430 20 30 CBEDLP C[C@H](NC(=O)NCC#CC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC001469310944 915397834 /nfs/dbraw/zinc/39/78/34/915397834.db2.gz AKRBNBXQPHAYMZ-QWHCGFSZSA-N 2 2 282.388 -0.430 20 30 CBEDLP C[C@@H](NC(=O)NCC#CC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC001469310919 915398411 /nfs/dbraw/zinc/39/84/11/915398411.db2.gz AKRBNBXQPHAYMZ-CHWSQXEVSA-N 2 2 282.388 -0.430 20 30 CBEDLP C[C@@H](NC(=O)NCC#CC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC001469310919 915398428 /nfs/dbraw/zinc/39/84/28/915398428.db2.gz AKRBNBXQPHAYMZ-CHWSQXEVSA-N 2 2 282.388 -0.430 20 30 CBEDLP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001481923147 917020154 /nfs/dbraw/zinc/02/01/54/917020154.db2.gz RLAJPFBFVIKTAP-DZGCQCFKSA-N 2 2 279.384 -0.175 20 30 CBEDLP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001481923147 917020164 /nfs/dbraw/zinc/02/01/64/917020164.db2.gz RLAJPFBFVIKTAP-DZGCQCFKSA-N 2 2 279.384 -0.175 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001482752896 917250759 /nfs/dbraw/zinc/25/07/59/917250759.db2.gz OBRVQHNQJBIZSC-LLVKDONJSA-N 2 2 264.329 -0.947 20 30 CBEDLP C=CCC[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001482799168 917292278 /nfs/dbraw/zinc/29/22/78/917292278.db2.gz LXQDWLQCARFRLC-NSHDSACASA-N 2 2 252.318 -0.474 20 30 CBEDLP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482872198 917317148 /nfs/dbraw/zinc/31/71/48/917317148.db2.gz FLTFVPUFFRVESM-SNVBAGLBSA-N 2 2 292.343 -0.924 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)CCC[NH+](C)C)C1 ZINC001485416116 918117591 /nfs/dbraw/zinc/11/75/91/918117591.db2.gz WIRQZIGZOAFATL-UHFFFAOYSA-N 2 2 281.400 -0.096 20 30 CBEDLP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001486042179 918338881 /nfs/dbraw/zinc/33/88/81/918338881.db2.gz FWKGCEURIGFMIS-ZYHUDNBSSA-N 2 2 266.345 -0.159 20 30 CBEDLP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001486042179 918338899 /nfs/dbraw/zinc/33/88/99/918338899.db2.gz FWKGCEURIGFMIS-ZYHUDNBSSA-N 2 2 266.345 -0.159 20 30 CBEDLP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001486314050 918422350 /nfs/dbraw/zinc/42/23/50/918422350.db2.gz SOTXFNBQBNHFAG-AWEZNQCLSA-N 2 2 292.383 -0.215 20 30 CBEDLP C#CC[NH+](CCNC(=O)[C@H]1C[N@H+](CC)CCO1)CCOC ZINC001486433529 918465190 /nfs/dbraw/zinc/46/51/90/918465190.db2.gz GUQHEOGGSFYLDV-CQSZACIVSA-N 2 2 297.399 -0.595 20 30 CBEDLP C#CC[NH+](CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)CCOC ZINC001486433529 918465206 /nfs/dbraw/zinc/46/52/06/918465206.db2.gz GUQHEOGGSFYLDV-CQSZACIVSA-N 2 2 297.399 -0.595 20 30 CBEDLP C#CC[N@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)CCOC ZINC001486433529 918465224 /nfs/dbraw/zinc/46/52/24/918465224.db2.gz GUQHEOGGSFYLDV-CQSZACIVSA-N 2 2 297.399 -0.595 20 30 CBEDLP C#CC[N@@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)CCOC ZINC001486433529 918465236 /nfs/dbraw/zinc/46/52/36/918465236.db2.gz GUQHEOGGSFYLDV-CQSZACIVSA-N 2 2 297.399 -0.595 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001491647768 919244503 /nfs/dbraw/zinc/24/45/03/919244503.db2.gz BINXGBVNWJOHGT-SNVBAGLBSA-N 2 2 293.371 -0.343 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001494861690 919801141 /nfs/dbraw/zinc/80/11/41/919801141.db2.gz JQOIYLIDPSBETB-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001494861690 919801151 /nfs/dbraw/zinc/80/11/51/919801151.db2.gz JQOIYLIDPSBETB-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001497127075 920257823 /nfs/dbraw/zinc/25/78/23/920257823.db2.gz RHIZJWVYWCPHAU-GFCCVEGCSA-N 2 2 266.345 -0.084 20 30 CBEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001500269223 920824018 /nfs/dbraw/zinc/82/40/18/920824018.db2.gz QQMARPASFCJJCQ-HNNXBMFYSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001500269223 920824032 /nfs/dbraw/zinc/82/40/32/920824032.db2.gz QQMARPASFCJJCQ-HNNXBMFYSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001514580771 922206930 /nfs/dbraw/zinc/20/69/30/922206930.db2.gz LTEQQZMUFPYIIS-OAHLLOKOSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001514580771 922206940 /nfs/dbraw/zinc/20/69/40/922206940.db2.gz LTEQQZMUFPYIIS-OAHLLOKOSA-N 2 2 293.411 -0.096 20 30 CBEDLP COCC#CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001558930271 924205604 /nfs/dbraw/zinc/20/56/04/924205604.db2.gz IDPMIWAEMWXVSC-CYBMUJFWSA-N 2 2 279.384 -0.079 20 30 CBEDLP COCC#CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001558930271 924205619 /nfs/dbraw/zinc/20/56/19/924205619.db2.gz IDPMIWAEMWXVSC-CYBMUJFWSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H](C)O)CC1 ZINC000304713532 352747524 /nfs/dbraw/zinc/74/75/24/352747524.db2.gz MRCDTBGILDXEGW-HUUCEWRRSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)CC1 ZINC000304713532 352747529 /nfs/dbraw/zinc/74/75/29/352747529.db2.gz MRCDTBGILDXEGW-HUUCEWRRSA-N 2 2 293.411 -0.001 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342126747 353219028 /nfs/dbraw/zinc/21/90/28/353219028.db2.gz JOQKKJCFJFRHMX-SECBINFHSA-N 2 2 254.334 -0.142 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCN(CCC[NH2+]C)CC1 ZINC000435877581 354255321 /nfs/dbraw/zinc/25/53/21/354255321.db2.gz SFSQOLUNEKAEKE-UHFFFAOYSA-N 2 2 254.378 -0.484 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424338206 354222089 /nfs/dbraw/zinc/22/20/89/354222089.db2.gz UDTPJXIHLVXWPQ-NXEZZACHSA-N 2 2 254.334 -0.142 20 30 CBEDLP C#C[C@H](C)[N@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000491289328 354453239 /nfs/dbraw/zinc/45/32/39/354453239.db2.gz YIEADBKKJIDMLF-NSHDSACASA-N 2 2 278.356 -0.086 20 30 CBEDLP C#C[C@H](C)[N@@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000491289328 354453241 /nfs/dbraw/zinc/45/32/41/354453241.db2.gz YIEADBKKJIDMLF-NSHDSACASA-N 2 2 278.356 -0.086 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CCO)CC1 ZINC000491628626 354460173 /nfs/dbraw/zinc/46/01/73/354460173.db2.gz NNSBWKBGNHADLK-CQSZACIVSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CCO)CC1 ZINC000491628626 354460175 /nfs/dbraw/zinc/46/01/75/354460175.db2.gz NNSBWKBGNHADLK-CQSZACIVSA-N 2 2 279.384 -0.389 20 30 CBEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000582052568 355006083 /nfs/dbraw/zinc/00/60/83/355006083.db2.gz KIUSELZVAFGLKA-TUAOUCFPSA-N 2 2 268.361 -0.386 20 30 CBEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000582052568 355006087 /nfs/dbraw/zinc/00/60/87/355006087.db2.gz KIUSELZVAFGLKA-TUAOUCFPSA-N 2 2 268.361 -0.386 20 30 CBEDLP N#CCC[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000591740093 355111942 /nfs/dbraw/zinc/11/19/42/355111942.db2.gz HMDARQJCHKJADT-CYBMUJFWSA-N 2 2 252.362 -0.104 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H](C)O)CC1 ZINC000491620474 332246301 /nfs/dbraw/zinc/24/63/01/332246301.db2.gz GEHOBSYGHHXREH-GFCCVEGCSA-N 2 2 253.346 -0.924 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H](C)O)CC1 ZINC000491620474 332246302 /nfs/dbraw/zinc/24/63/02/332246302.db2.gz GEHOBSYGHHXREH-GFCCVEGCSA-N 2 2 253.346 -0.924 20 30 CBEDLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592147939 355133271 /nfs/dbraw/zinc/13/32/71/355133271.db2.gz UGJYYJBQAYGGRO-CYBMUJFWSA-N 2 2 266.345 -0.889 20 30 CBEDLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592147939 355133275 /nfs/dbraw/zinc/13/32/75/355133275.db2.gz UGJYYJBQAYGGRO-CYBMUJFWSA-N 2 2 266.345 -0.889 20 30 CBEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(CC#N)C1 ZINC000594015809 355235567 /nfs/dbraw/zinc/23/55/67/355235567.db2.gz QLEBIBZDULGPRP-STQMWFEESA-N 2 2 271.361 -0.724 20 30 CBEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(CC#N)C1 ZINC000594015809 355235568 /nfs/dbraw/zinc/23/55/68/355235568.db2.gz QLEBIBZDULGPRP-STQMWFEESA-N 2 2 271.361 -0.724 20 30 CBEDLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000594015809 355235571 /nfs/dbraw/zinc/23/55/71/355235571.db2.gz QLEBIBZDULGPRP-STQMWFEESA-N 2 2 271.361 -0.724 20 30 CBEDLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000594015809 355235572 /nfs/dbraw/zinc/23/55/72/355235572.db2.gz QLEBIBZDULGPRP-STQMWFEESA-N 2 2 271.361 -0.724 20 30 CBEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000594443254 355247687 /nfs/dbraw/zinc/24/76/87/355247687.db2.gz BPKZRDDANULLDY-LBPRGKRZSA-N 2 2 268.361 -0.466 20 30 CBEDLP C[N@@H+]1CCN(C(=O)CC2(C#N)CCOCC2)[C@@H](C[NH3+])C1 ZINC000595925345 355319239 /nfs/dbraw/zinc/31/92/39/355319239.db2.gz ZHBOGAYGBDAABN-LBPRGKRZSA-N 2 2 280.372 -0.202 20 30 CBEDLP C[N@H+]1CCN(C(=O)CC2(C#N)CCOCC2)[C@@H](C[NH3+])C1 ZINC000595925345 355319242 /nfs/dbraw/zinc/31/92/42/355319242.db2.gz ZHBOGAYGBDAABN-LBPRGKRZSA-N 2 2 280.372 -0.202 20 30 CBEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910662 355721237 /nfs/dbraw/zinc/72/12/37/355721237.db2.gz XATICADHYKYBLN-TXEJJXNPSA-N 2 2 250.346 -0.100 20 30 CBEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910662 355721239 /nfs/dbraw/zinc/72/12/39/355721239.db2.gz XATICADHYKYBLN-TXEJJXNPSA-N 2 2 250.346 -0.100 20 30 CBEDLP Cc1cc(NC[C@]2(CO)COCC[NH2+]2)c(C#N)c[nH+]1 ZINC000603419420 355714360 /nfs/dbraw/zinc/71/43/60/355714360.db2.gz OKQKKCUOLIKKJR-ZDUSSCGKSA-N 2 2 262.313 -0.554 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865023 356913711 /nfs/dbraw/zinc/91/37/11/356913711.db2.gz XJLLRVSUKOHUKO-NSHDSACASA-N 2 2 255.362 -0.277 20 30 CBEDLP C=CC[NH+]1CCC(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638101923 357417058 /nfs/dbraw/zinc/41/70/58/357417058.db2.gz SNUYWAILTLTUGO-GFCCVEGCSA-N 2 2 294.399 -0.427 20 30 CBEDLP CC#CC[NH2+]Cc1cn(CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000640837550 357665847 /nfs/dbraw/zinc/66/58/47/357665847.db2.gz UNYDDGXEDWQJRO-UHFFFAOYSA-N 2 2 290.371 -0.835 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)CCO)CC1 ZINC000304694532 372967474 /nfs/dbraw/zinc/96/74/74/372967474.db2.gz HZGTXIYPBMVPMI-UHFFFAOYSA-N 2 2 267.373 -0.532 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)CCO)CC1 ZINC000304694532 372967482 /nfs/dbraw/zinc/96/74/82/372967482.db2.gz HZGTXIYPBMVPMI-UHFFFAOYSA-N 2 2 267.373 -0.532 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341924 220199784 /nfs/dbraw/zinc/19/97/84/220199784.db2.gz FBUCFOAMZRFMRW-ZJUUUORDSA-N 2 2 254.334 -0.333 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341924 220199788 /nfs/dbraw/zinc/19/97/88/220199788.db2.gz FBUCFOAMZRFMRW-ZJUUUORDSA-N 2 2 254.334 -0.333 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163825006 220218547 /nfs/dbraw/zinc/21/85/47/220218547.db2.gz AMFYCKIPZTUTBE-QWRGUYRKSA-N 2 2 268.361 -0.085 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000163825006 220218550 /nfs/dbraw/zinc/21/85/50/220218550.db2.gz AMFYCKIPZTUTBE-QWRGUYRKSA-N 2 2 268.361 -0.085 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@](C)(CO)C(C)C)CC1 ZINC000491706432 373705917 /nfs/dbraw/zinc/70/59/17/373705917.db2.gz DXLJCHSINVAHGF-OAHLLOKOSA-N 2 2 281.400 -0.240 20 30 CBEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCO[C@@H](COC)C1 ZINC000261914560 220245346 /nfs/dbraw/zinc/24/53/46/220245346.db2.gz JPSFKOLRMZFJFE-GFCCVEGCSA-N 2 2 281.360 -0.194 20 30 CBEDLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCn1cc[nH+]c1 ZINC000264148347 220263186 /nfs/dbraw/zinc/26/31/86/220263186.db2.gz YOCCFARPWHXDCL-UHFFFAOYSA-N 3 2 280.376 -0.490 20 30 CBEDLP C=C[C@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000289444179 220303562 /nfs/dbraw/zinc/30/35/62/220303562.db2.gz AYAPYDMMWPHVFT-CYBMUJFWSA-N 2 2 277.372 -0.135 20 30 CBEDLP NC(=[NH2+])NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000303268710 220325415 /nfs/dbraw/zinc/32/54/15/220325415.db2.gz ZFPDWVJCMDRIFT-UHFFFAOYSA-N 2 2 276.344 -0.606 20 30 CBEDLP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000329100199 220331224 /nfs/dbraw/zinc/33/12/24/220331224.db2.gz DNKPMFWZTYDOLS-VXGBXAGGSA-N 2 2 270.377 -0.085 20 30 CBEDLP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000329100199 220331228 /nfs/dbraw/zinc/33/12/28/220331228.db2.gz DNKPMFWZTYDOLS-VXGBXAGGSA-N 2 2 270.377 -0.085 20 30 CBEDLP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329100199 220331232 /nfs/dbraw/zinc/33/12/32/220331232.db2.gz DNKPMFWZTYDOLS-VXGBXAGGSA-N 2 2 270.377 -0.085 20 30 CBEDLP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329100199 220331234 /nfs/dbraw/zinc/33/12/34/220331234.db2.gz DNKPMFWZTYDOLS-VXGBXAGGSA-N 2 2 270.377 -0.085 20 30 CBEDLP C=CC[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000647881588 419683933 /nfs/dbraw/zinc/68/39/33/419683933.db2.gz OVLPYCYNVGXDFV-CYBMUJFWSA-N 2 2 287.429 -0.433 20 30 CBEDLP C=CC[N@@H+](CCN1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000647881588 419683941 /nfs/dbraw/zinc/68/39/41/419683941.db2.gz OVLPYCYNVGXDFV-CYBMUJFWSA-N 2 2 287.429 -0.433 20 30 CBEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000518759526 261232765 /nfs/dbraw/zinc/23/27/65/261232765.db2.gz ZIZQEUPTUHQASM-STQMWFEESA-N 2 2 254.378 -0.123 20 30 CBEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000518759526 261232768 /nfs/dbraw/zinc/23/27/68/261232768.db2.gz ZIZQEUPTUHQASM-STQMWFEESA-N 2 2 254.378 -0.123 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)CC1 ZINC000490922626 261248653 /nfs/dbraw/zinc/24/86/53/261248653.db2.gz FJRYNVXSMMCYLL-LSDHHAIUSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@@H](C)[C@H]2C)CC1 ZINC000490922626 261248655 /nfs/dbraw/zinc/24/86/55/261248655.db2.gz FJRYNVXSMMCYLL-LSDHHAIUSA-N 2 2 292.427 -0.212 20 30 CBEDLP C[NH2+]C[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000563713002 328490415 /nfs/dbraw/zinc/49/04/15/328490415.db2.gz FLOPXVKXDKHXER-LBPRGKRZSA-N 2 2 297.380 -0.498 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2C)CC1 ZINC000490740988 332111556 /nfs/dbraw/zinc/11/15/56/332111556.db2.gz SCXNUCISBOOOFZ-STQMWFEESA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)CC1 ZINC000490740988 332111558 /nfs/dbraw/zinc/11/15/58/332111558.db2.gz SCXNUCISBOOOFZ-STQMWFEESA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCOCC2)CC1 ZINC000490781183 332115537 /nfs/dbraw/zinc/11/55/37/332115537.db2.gz YAQJVWKWMPHIPI-UHFFFAOYSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CCOCC2)CC1 ZINC000490781183 332115538 /nfs/dbraw/zinc/11/55/38/332115538.db2.gz YAQJVWKWMPHIPI-UHFFFAOYSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)[C@H](CC)C2)CC1 ZINC000490892452 332125624 /nfs/dbraw/zinc/12/56/24/332125624.db2.gz LDOZJSYVCKXAMB-KGLIPLIRSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)[C@H](CC)C2)CC1 ZINC000490892452 332125625 /nfs/dbraw/zinc/12/56/25/332125625.db2.gz LDOZJSYVCKXAMB-KGLIPLIRSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000491070603 332146059 /nfs/dbraw/zinc/14/60/59/332146059.db2.gz DHYVKIMZUNVVIU-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000491070603 332146061 /nfs/dbraw/zinc/14/60/61/332146061.db2.gz DHYVKIMZUNVVIU-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCOC2)CC1 ZINC000491209509 332166294 /nfs/dbraw/zinc/16/62/94/332166294.db2.gz IFOKNSSRODOIMW-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCCOC2)CC1 ZINC000491209509 332166296 /nfs/dbraw/zinc/16/62/96/332166296.db2.gz IFOKNSSRODOIMW-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCCOC2)CC1 ZINC000491209508 332166411 /nfs/dbraw/zinc/16/64/11/332166411.db2.gz IFOKNSSRODOIMW-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCCOC2)CC1 ZINC000491209508 332166413 /nfs/dbraw/zinc/16/64/13/332166413.db2.gz IFOKNSSRODOIMW-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCO)CC1 ZINC000491326812 332190864 /nfs/dbraw/zinc/19/08/64/332190864.db2.gz QLPHALHFZDXHDC-UHFFFAOYSA-N 2 2 253.346 -0.922 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCO)CC1 ZINC000491326812 332190865 /nfs/dbraw/zinc/19/08/65/332190865.db2.gz QLPHALHFZDXHDC-UHFFFAOYSA-N 2 2 253.346 -0.922 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)C[C@@H]2C)CC1 ZINC000491415835 332207776 /nfs/dbraw/zinc/20/77/76/332207776.db2.gz IPDFGIATTRBXCV-GJZGRUSLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)C[C@@H]2C)CC1 ZINC000491415835 332207777 /nfs/dbraw/zinc/20/77/77/332207777.db2.gz IPDFGIATTRBXCV-GJZGRUSLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@@H]2CC)CC1 ZINC000491451756 332213687 /nfs/dbraw/zinc/21/36/87/332213687.db2.gz HWIKFOJPTGGVGG-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@@H]2CC)CC1 ZINC000491451756 332213689 /nfs/dbraw/zinc/21/36/89/332213689.db2.gz HWIKFOJPTGGVGG-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000491462551 332215968 /nfs/dbraw/zinc/21/59/68/332215968.db2.gz JHPHEEZNUWHGCI-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H]1COCC[NH+]1CC ZINC000491462551 332215969 /nfs/dbraw/zinc/21/59/69/332215969.db2.gz JHPHEEZNUWHGCI-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)[C@H]1COCC[NH+]1CC ZINC000491462551 332215970 /nfs/dbraw/zinc/21/59/70/332215970.db2.gz JHPHEEZNUWHGCI-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@]2(C)CO)CC1 ZINC000491669002 332276502 /nfs/dbraw/zinc/27/65/02/332276502.db2.gz WXEFLPHKPKDQTQ-GOEBONIOSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)CC1 ZINC000491703604 332297444 /nfs/dbraw/zinc/29/74/44/332297444.db2.gz HXHPHCFZXJGANR-QDMKHBRRSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)CC1 ZINC000491703604 332297446 /nfs/dbraw/zinc/29/74/46/332297446.db2.gz HXHPHCFZXJGANR-QDMKHBRRSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@](C)(O)C2)CC1 ZINC000491794193 332354077 /nfs/dbraw/zinc/35/40/77/332354077.db2.gz OWDYXDJSCXCFFV-AWEZNQCLSA-N 2 2 265.357 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C)(O)C2)CC1 ZINC000491794193 332354078 /nfs/dbraw/zinc/35/40/78/332354078.db2.gz OWDYXDJSCXCFFV-AWEZNQCLSA-N 2 2 265.357 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](C)(O)C2)CC1 ZINC000491794194 332354123 /nfs/dbraw/zinc/35/41/23/332354123.db2.gz OWDYXDJSCXCFFV-CQSZACIVSA-N 2 2 265.357 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC000491794194 332354124 /nfs/dbraw/zinc/35/41/24/332354124.db2.gz OWDYXDJSCXCFFV-CQSZACIVSA-N 2 2 265.357 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)CC1 ZINC000491801565 332355849 /nfs/dbraw/zinc/35/58/49/332355849.db2.gz CXOQUWGRRGBIKT-GJZGRUSLSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)C[C@H](CO)C2)CC1 ZINC000491801565 332355850 /nfs/dbraw/zinc/35/58/50/332355850.db2.gz CXOQUWGRRGBIKT-GJZGRUSLSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CCNC(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000491809476 332362284 /nfs/dbraw/zinc/36/22/84/332362284.db2.gz YHTXLVYRFOBASM-UHFFFAOYSA-N 2 2 261.329 -0.329 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000491815345 332366618 /nfs/dbraw/zinc/36/66/18/332366618.db2.gz LJDZOPWKRHMJKY-GFCCVEGCSA-N 2 2 253.346 -0.564 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000491815345 332366619 /nfs/dbraw/zinc/36/66/19/332366619.db2.gz LJDZOPWKRHMJKY-GFCCVEGCSA-N 2 2 253.346 -0.564 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC([C@@H](C)O)CC2)CC1 ZINC000304705936 332974192 /nfs/dbraw/zinc/97/41/92/332974192.db2.gz KQTGQBQOITVJBF-CQSZACIVSA-N 2 2 293.411 -0.143 20 30 CBEDLP CN(CCC#N)C[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000576149310 335160732 /nfs/dbraw/zinc/16/07/32/335160732.db2.gz SQFOSGJVQBWIPB-GFCCVEGCSA-N 2 2 251.334 -0.321 20 30 CBEDLP C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000581192267 336022301 /nfs/dbraw/zinc/02/23/01/336022301.db2.gz MANOSTMATMRYHT-LBPRGKRZSA-N 2 2 280.372 -0.863 20 30 CBEDLP C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000581192267 336022302 /nfs/dbraw/zinc/02/23/02/336022302.db2.gz MANOSTMATMRYHT-LBPRGKRZSA-N 2 2 280.372 -0.863 20 30 CBEDLP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000581776890 336145662 /nfs/dbraw/zinc/14/56/62/336145662.db2.gz CEGOOLDLZDHAPY-AWEZNQCLSA-N 3 2 295.431 -0.079 20 30 CBEDLP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000581776890 336145664 /nfs/dbraw/zinc/14/56/64/336145664.db2.gz CEGOOLDLZDHAPY-AWEZNQCLSA-N 3 2 295.431 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000730284959 582150060 /nfs/dbraw/zinc/15/00/60/582150060.db2.gz VWGCVOVIMRBNRY-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000730284959 582150061 /nfs/dbraw/zinc/15/00/61/582150061.db2.gz VWGCVOVIMRBNRY-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000730284959 582150062 /nfs/dbraw/zinc/15/00/62/582150062.db2.gz VWGCVOVIMRBNRY-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000730284959 582150064 /nfs/dbraw/zinc/15/00/64/582150064.db2.gz VWGCVOVIMRBNRY-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000732052650 582156020 /nfs/dbraw/zinc/15/60/20/582156020.db2.gz QNZYSKYSBBGGRX-HNNXBMFYSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000732052650 582156021 /nfs/dbraw/zinc/15/60/21/582156021.db2.gz QNZYSKYSBBGGRX-HNNXBMFYSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000732052650 582156022 /nfs/dbraw/zinc/15/60/22/582156022.db2.gz QNZYSKYSBBGGRX-HNNXBMFYSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000732052650 582156023 /nfs/dbraw/zinc/15/60/23/582156023.db2.gz QNZYSKYSBBGGRX-HNNXBMFYSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000734487865 582170527 /nfs/dbraw/zinc/17/05/27/582170527.db2.gz XRTCFERUZZUVPJ-CABCVRRESA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000734487865 582170528 /nfs/dbraw/zinc/17/05/28/582170528.db2.gz XRTCFERUZZUVPJ-CABCVRRESA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000746450066 582284729 /nfs/dbraw/zinc/28/47/29/582284729.db2.gz JHAVRKJJUIIUDR-UHFFFAOYSA-N 2 2 261.329 -0.709 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(C(N)=O)CCCC2)CC1 ZINC000750050362 582290709 /nfs/dbraw/zinc/29/07/09/582290709.db2.gz OQNIFFVAFOSDES-UHFFFAOYSA-N 2 2 292.383 -0.849 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000752479404 582295098 /nfs/dbraw/zinc/29/50/98/582295098.db2.gz OXJQYGKGCQBIFC-JSGCOSHPSA-N 2 2 267.373 -0.487 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000752479404 582295099 /nfs/dbraw/zinc/29/50/99/582295099.db2.gz OXJQYGKGCQBIFC-JSGCOSHPSA-N 2 2 267.373 -0.487 20 30 CBEDLP C[C@H](CO)N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755758401 582302376 /nfs/dbraw/zinc/30/23/76/582302376.db2.gz PSMILSJPNPPFOH-LLVKDONJSA-N 2 2 278.360 -0.467 20 30 CBEDLP C[C@@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)C[N@@H+]1C ZINC000761801832 582316225 /nfs/dbraw/zinc/31/62/25/582316225.db2.gz QTBXPQYHCVPENH-LLVKDONJSA-N 2 2 299.444 -0.137 20 30 CBEDLP C[C@@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)C[N@H+]1C ZINC000761801832 582316226 /nfs/dbraw/zinc/31/62/26/582316226.db2.gz QTBXPQYHCVPENH-LLVKDONJSA-N 2 2 299.444 -0.137 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC000768769131 582334520 /nfs/dbraw/zinc/33/45/20/582334520.db2.gz NCMGJMHPJHVHDG-STQMWFEESA-N 2 2 265.357 -0.924 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC000768769131 582334521 /nfs/dbraw/zinc/33/45/21/582334521.db2.gz NCMGJMHPJHVHDG-STQMWFEESA-N 2 2 265.357 -0.924 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000774728113 582351141 /nfs/dbraw/zinc/35/11/41/582351141.db2.gz FCYXMBKGXMTVDN-UHFFFAOYSA-N 2 2 280.416 -0.306 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000774728113 582351142 /nfs/dbraw/zinc/35/11/42/582351142.db2.gz FCYXMBKGXMTVDN-UHFFFAOYSA-N 2 2 280.416 -0.306 20 30 CBEDLP C#CCNC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000774728113 582351143 /nfs/dbraw/zinc/35/11/43/582351143.db2.gz FCYXMBKGXMTVDN-UHFFFAOYSA-N 2 2 280.416 -0.306 20 30 CBEDLP C#CCNC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000774728113 582351144 /nfs/dbraw/zinc/35/11/44/582351144.db2.gz FCYXMBKGXMTVDN-UHFFFAOYSA-N 2 2 280.416 -0.306 20 30 CBEDLP C#C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000775806652 582353332 /nfs/dbraw/zinc/35/33/32/582353332.db2.gz MJNOFCURYCQFTN-STQMWFEESA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000781677757 582366355 /nfs/dbraw/zinc/36/63/55/582366355.db2.gz ZSUNHSWXOLVXDD-AWEZNQCLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000781677757 582366356 /nfs/dbraw/zinc/36/63/56/582366356.db2.gz ZSUNHSWXOLVXDD-AWEZNQCLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000781677757 582366357 /nfs/dbraw/zinc/36/63/57/582366357.db2.gz ZSUNHSWXOLVXDD-AWEZNQCLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000781677757 582366358 /nfs/dbraw/zinc/36/63/58/582366358.db2.gz ZSUNHSWXOLVXDD-AWEZNQCLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CCC[NH+]1CCN(CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000801525028 582424588 /nfs/dbraw/zinc/42/45/88/582424588.db2.gz DLXIOWZTNAXFPZ-UHFFFAOYSA-N 2 2 292.427 -0.209 20 30 CBEDLP C#CCCN1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000801525028 582424589 /nfs/dbraw/zinc/42/45/89/582424589.db2.gz DLXIOWZTNAXFPZ-UHFFFAOYSA-N 2 2 292.427 -0.209 20 30 CBEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCCO)cn2)CC1 ZINC000814943637 582459530 /nfs/dbraw/zinc/45/95/30/582459530.db2.gz HZUUXZGFOCHXDA-UHFFFAOYSA-N 2 2 264.333 -0.856 20 30 CBEDLP C[C@@H](O)CN[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000814962582 582459676 /nfs/dbraw/zinc/45/96/76/582459676.db2.gz OERMEKJYCCJTRL-LLVKDONJSA-N 2 2 278.360 -0.467 20 30 CBEDLP C=C[C@H](O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000827413477 582815487 /nfs/dbraw/zinc/81/54/87/582815487.db2.gz HAQJEQCKOXWWNH-AAEUAGOBSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C[C@H](O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000827413477 582815489 /nfs/dbraw/zinc/81/54/89/582815489.db2.gz HAQJEQCKOXWWNH-AAEUAGOBSA-N 2 2 267.373 -0.182 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000834504699 583128197 /nfs/dbraw/zinc/12/81/97/583128197.db2.gz DNDMPBCUUPKGBF-BNOWGMLFSA-N 2 2 292.383 -0.142 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000834504699 583128198 /nfs/dbraw/zinc/12/81/98/583128198.db2.gz DNDMPBCUUPKGBF-BNOWGMLFSA-N 2 2 292.383 -0.142 20 30 CBEDLP C#C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@@H]1CCCO1 ZINC000841881429 583176084 /nfs/dbraw/zinc/17/60/84/583176084.db2.gz QYSTVPMZYSWOHF-AGIUHOORSA-N 2 2 280.372 -0.549 20 30 CBEDLP C#C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@@H]1CCCO1 ZINC000841881429 583176086 /nfs/dbraw/zinc/17/60/86/583176086.db2.gz QYSTVPMZYSWOHF-AGIUHOORSA-N 2 2 280.372 -0.549 20 30 CBEDLP CCN(CCO)[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000842538120 583185484 /nfs/dbraw/zinc/18/54/84/583185484.db2.gz HGUVZMIYQMUECS-UHFFFAOYSA-N 2 2 292.387 -0.124 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843997856 583243118 /nfs/dbraw/zinc/24/31/18/583243118.db2.gz WWKUHQBRJVSCAO-KGLIPLIRSA-N 2 2 277.368 -0.639 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843997856 583243121 /nfs/dbraw/zinc/24/31/21/583243121.db2.gz WWKUHQBRJVSCAO-KGLIPLIRSA-N 2 2 277.368 -0.639 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000843997856 583243123 /nfs/dbraw/zinc/24/31/23/583243123.db2.gz WWKUHQBRJVSCAO-KGLIPLIRSA-N 2 2 277.368 -0.639 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000843997856 583243125 /nfs/dbraw/zinc/24/31/25/583243125.db2.gz WWKUHQBRJVSCAO-KGLIPLIRSA-N 2 2 277.368 -0.639 20 30 CBEDLP C[C@H](C#N)OCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844379467 583269439 /nfs/dbraw/zinc/26/94/39/583269439.db2.gz FADWAWPBNWHDDF-GFCCVEGCSA-N 2 2 268.361 -0.379 20 30 CBEDLP C[C@H](C#N)OCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844379467 583269443 /nfs/dbraw/zinc/26/94/43/583269443.db2.gz FADWAWPBNWHDDF-GFCCVEGCSA-N 2 2 268.361 -0.379 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848307945 583440695 /nfs/dbraw/zinc/44/06/95/583440695.db2.gz SZCYPIZLLBYLHL-MJBXVCDLSA-N 2 2 277.368 -0.639 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848307945 583440698 /nfs/dbraw/zinc/44/06/98/583440698.db2.gz SZCYPIZLLBYLHL-MJBXVCDLSA-N 2 2 277.368 -0.639 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000848307945 583440701 /nfs/dbraw/zinc/44/07/01/583440701.db2.gz SZCYPIZLLBYLHL-MJBXVCDLSA-N 2 2 277.368 -0.639 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000848307945 583440705 /nfs/dbraw/zinc/44/07/05/583440705.db2.gz SZCYPIZLLBYLHL-MJBXVCDLSA-N 2 2 277.368 -0.639 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)CC1 ZINC000852500788 583547694 /nfs/dbraw/zinc/54/76/94/583547694.db2.gz DXVYAGDAGQKIKJ-FOLVSLTJSA-N 2 2 293.411 -0.288 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)CC1 ZINC000852500788 583547695 /nfs/dbraw/zinc/54/76/95/583547695.db2.gz DXVYAGDAGQKIKJ-FOLVSLTJSA-N 2 2 293.411 -0.288 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC3(COC3)C2)CC1 ZINC000852683576 583550466 /nfs/dbraw/zinc/55/04/66/583550466.db2.gz KVBPVMDAIZBZTA-UHFFFAOYSA-N 2 2 277.368 -0.514 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC3(COC3)C2)CC1 ZINC000852683576 583550467 /nfs/dbraw/zinc/55/04/67/583550467.db2.gz KVBPVMDAIZBZTA-UHFFFAOYSA-N 2 2 277.368 -0.514 20 30 CBEDLP C#CCC[N@@H+](CCOC)CC(=O)N1CC[NH+](CC#C)CC1 ZINC000852752249 583551712 /nfs/dbraw/zinc/55/17/12/583551712.db2.gz RQVZNFNQXJRVDU-UHFFFAOYSA-N 2 2 291.395 -0.265 20 30 CBEDLP C#CCC[N@H+](CCOC)CC(=O)N1CC[NH+](CC#C)CC1 ZINC000852752249 583551713 /nfs/dbraw/zinc/55/17/13/583551713.db2.gz RQVZNFNQXJRVDU-UHFFFAOYSA-N 2 2 291.395 -0.265 20 30 CBEDLP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](CCO)CC1 ZINC000852879410 583566362 /nfs/dbraw/zinc/56/63/62/583566362.db2.gz DXHYFVMBGIUKFG-UHFFFAOYSA-N 2 2 265.357 -0.874 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000862973535 583829473 /nfs/dbraw/zinc/82/94/73/583829473.db2.gz PNKFURLSVCHBNW-CQSZACIVSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000862973535 583829475 /nfs/dbraw/zinc/82/94/75/583829475.db2.gz PNKFURLSVCHBNW-CQSZACIVSA-N 2 2 279.384 -0.222 20 30 CBEDLP CNC(NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C)=[NH+]C ZINC000864356499 583880927 /nfs/dbraw/zinc/88/09/27/583880927.db2.gz QBIIQHPYTKKJJW-CYBMUJFWSA-N 2 2 270.377 -0.603 20 30 CBEDLP CNC(NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C)=[NH+]C ZINC000864356499 583880930 /nfs/dbraw/zinc/88/09/30/583880930.db2.gz QBIIQHPYTKKJJW-CYBMUJFWSA-N 2 2 270.377 -0.603 20 30 CBEDLP C[C@H]1C(=NNC(=S)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000872329531 584055788 /nfs/dbraw/zinc/05/57/88/584055788.db2.gz RYDSBOFSIWRUSO-NSHDSACASA-N 2 2 299.444 -0.137 20 30 CBEDLP C[C@H]1C(=NNC(=S)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000872329531 584055790 /nfs/dbraw/zinc/05/57/90/584055790.db2.gz RYDSBOFSIWRUSO-NSHDSACASA-N 2 2 299.444 -0.137 20 30 CBEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000876707446 584140416 /nfs/dbraw/zinc/14/04/16/584140416.db2.gz GPYAKLUAHBRZSU-SNVBAGLBSA-N 2 2 261.753 -0.095 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876802813 584146705 /nfs/dbraw/zinc/14/67/05/584146705.db2.gz SKLQVLSARXZSDL-NUYITTKVSA-N 2 2 264.329 -0.897 20 30 CBEDLP C[N@@H+]1CCOC[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000877034738 584162750 /nfs/dbraw/zinc/16/27/50/584162750.db2.gz ORNSMEDOXKWPPV-CYBMUJFWSA-N 2 2 265.357 -0.564 20 30 CBEDLP C[N@H+]1CCOC[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000877034738 584162751 /nfs/dbraw/zinc/16/27/51/584162751.db2.gz ORNSMEDOXKWPPV-CYBMUJFWSA-N 2 2 265.357 -0.564 20 30 CBEDLP C[C@H](C#N)OCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879356022 584233380 /nfs/dbraw/zinc/23/33/80/584233380.db2.gz VYUZIYBRGVEPBI-GFCCVEGCSA-N 2 2 268.361 -0.379 20 30 CBEDLP C[C@H](C#N)OCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879356022 584233381 /nfs/dbraw/zinc/23/33/81/584233381.db2.gz VYUZIYBRGVEPBI-GFCCVEGCSA-N 2 2 268.361 -0.379 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)CC(C)(C)C2)CC1 ZINC000879621397 584244110 /nfs/dbraw/zinc/24/41/10/584244110.db2.gz WSSGINNXOABXES-CQSZACIVSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)CC(C)(C)C2)CC1 ZINC000879621397 584244111 /nfs/dbraw/zinc/24/41/11/584244111.db2.gz WSSGINNXOABXES-CQSZACIVSA-N 2 2 293.411 -0.143 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000884019626 584355892 /nfs/dbraw/zinc/35/58/92/584355892.db2.gz YGSUAJYUYIRVHP-TUAOUCFPSA-N 2 2 283.372 -0.063 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC[NH+](C)CC1 ZINC000884177875 584364497 /nfs/dbraw/zinc/36/44/97/584364497.db2.gz VNFALAIVJDYACN-NSHDSACASA-N 2 2 269.345 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000884193615 584365131 /nfs/dbraw/zinc/36/51/31/584365131.db2.gz KMFWYIHDSQONLT-ZDUSSCGKSA-N 2 2 295.383 -0.013 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)CC[NH+](C)C ZINC000884201714 584366206 /nfs/dbraw/zinc/36/62/06/584366206.db2.gz FYTLCGZFXBMTAO-MNOVXSKESA-N 2 2 271.361 -0.111 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000884213546 584367745 /nfs/dbraw/zinc/36/77/45/584367745.db2.gz FGHAWYSYFYAFOT-NEPJUHHUSA-N 2 2 299.371 -0.730 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000884213546 584367747 /nfs/dbraw/zinc/36/77/47/584367747.db2.gz FGHAWYSYFYAFOT-NEPJUHHUSA-N 2 2 299.371 -0.730 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000884251124 584370236 /nfs/dbraw/zinc/37/02/36/584370236.db2.gz WBSOTNUWGQESHT-FZMZJTMJSA-N 2 2 281.356 -0.355 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000884254841 584370502 /nfs/dbraw/zinc/37/05/02/584370502.db2.gz SUWYHGDNRVFCGF-VWYCJHECSA-N 2 2 269.345 -0.453 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000884254840 584370540 /nfs/dbraw/zinc/37/05/40/584370540.db2.gz SUWYHGDNRVFCGF-OUAUKWLOSA-N 2 2 269.345 -0.453 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000884267776 584371322 /nfs/dbraw/zinc/37/13/22/584371322.db2.gz NDURTGTWFDNFRB-TUAOUCFPSA-N 2 2 281.356 -0.214 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000884303403 584373074 /nfs/dbraw/zinc/37/30/74/584373074.db2.gz NWQYGGAFVCKBFF-SDDRHHMPSA-N 2 2 281.356 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000884320855 584374107 /nfs/dbraw/zinc/37/41/07/584374107.db2.gz YXWXIOQTMCOYLE-LBPRGKRZSA-N 2 2 299.371 -0.729 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCCOCC1 ZINC000884320855 584374108 /nfs/dbraw/zinc/37/41/08/584374108.db2.gz YXWXIOQTMCOYLE-LBPRGKRZSA-N 2 2 299.371 -0.729 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884457420 584382738 /nfs/dbraw/zinc/38/27/38/584382738.db2.gz BNMPGXGTLQCBDY-GUBZILKMSA-N 2 2 253.302 -0.994 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1 ZINC000886579511 584443804 /nfs/dbraw/zinc/44/38/04/584443804.db2.gz WBJRGSMYJIWQPV-QLFBSQMISA-N 2 2 291.395 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1 ZINC000886579511 584443806 /nfs/dbraw/zinc/44/38/06/584443806.db2.gz WBJRGSMYJIWQPV-QLFBSQMISA-N 2 2 291.395 -0.534 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900474663 584806445 /nfs/dbraw/zinc/80/64/45/584806445.db2.gz UIVVUAOHWLHVLB-HIFRSBDPSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900474663 584806446 /nfs/dbraw/zinc/80/64/46/584806446.db2.gz UIVVUAOHWLHVLB-HIFRSBDPSA-N 2 2 279.384 -0.391 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903441031 584890482 /nfs/dbraw/zinc/89/04/82/584890482.db2.gz HFBVNKTXPVYMDQ-CYBMUJFWSA-N 2 2 266.389 -0.342 20 30 CBEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969442558 613116904 /nfs/dbraw/zinc/11/69/04/613116904.db2.gz RSENNBTWJKRBOD-YPMHNXCESA-N 2 2 265.357 -0.613 20 30 CBEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969442558 613116906 /nfs/dbraw/zinc/11/69/06/613116906.db2.gz RSENNBTWJKRBOD-YPMHNXCESA-N 2 2 265.357 -0.613 20 30 CBEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970911845 613124550 /nfs/dbraw/zinc/12/45/50/613124550.db2.gz WPOSDLOBDBMZQP-GXTWGEPZSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970911845 613124552 /nfs/dbraw/zinc/12/45/52/613124552.db2.gz WPOSDLOBDBMZQP-GXTWGEPZSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972677701 613213071 /nfs/dbraw/zinc/21/30/71/613213071.db2.gz QNAHVMICVIXKMI-GOEBONIOSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972677701 613213073 /nfs/dbraw/zinc/21/30/73/613213073.db2.gz QNAHVMICVIXKMI-GOEBONIOSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972677701 613213074 /nfs/dbraw/zinc/21/30/74/613213074.db2.gz QNAHVMICVIXKMI-GOEBONIOSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972677701 613213077 /nfs/dbraw/zinc/21/30/77/613213077.db2.gz QNAHVMICVIXKMI-GOEBONIOSA-N 2 2 291.395 -0.125 20 30 CBEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963012469 613635268 /nfs/dbraw/zinc/63/52/68/613635268.db2.gz BEYKLVVGUPMQGW-IMRBUKKESA-N 2 2 258.325 -0.047 20 30 CBEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963012469 613635271 /nfs/dbraw/zinc/63/52/71/613635271.db2.gz BEYKLVVGUPMQGW-IMRBUKKESA-N 2 2 258.325 -0.047 20 30 CBEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958475492 613636233 /nfs/dbraw/zinc/63/62/33/613636233.db2.gz WSSBGXZPUHMQGQ-RFQIPJPRSA-N 2 2 277.368 -0.613 20 30 CBEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958475492 613636234 /nfs/dbraw/zinc/63/62/34/613636234.db2.gz WSSBGXZPUHMQGQ-RFQIPJPRSA-N 2 2 277.368 -0.613 20 30 CBEDLP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958475492 613636235 /nfs/dbraw/zinc/63/62/35/613636235.db2.gz WSSBGXZPUHMQGQ-RFQIPJPRSA-N 2 2 277.368 -0.613 20 30 CBEDLP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958475492 613636236 /nfs/dbraw/zinc/63/62/36/613636236.db2.gz WSSBGXZPUHMQGQ-RFQIPJPRSA-N 2 2 277.368 -0.613 20 30 CBEDLP C[NH+](C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CC1 ZINC000303879138 656139408 /nfs/dbraw/zinc/13/94/08/656139408.db2.gz JOGGBPRMXHCJIW-CQSZACIVSA-N 3 2 297.447 -0.047 20 30 CBEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCS(C)(=O)=O ZINC000303894707 656140007 /nfs/dbraw/zinc/14/00/07/656140007.db2.gz SSFDFGJBRSQEQK-LLVKDONJSA-N 2 2 290.433 -0.190 20 30 CBEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCS(C)(=O)=O ZINC000303894707 656140011 /nfs/dbraw/zinc/14/00/11/656140011.db2.gz SSFDFGJBRSQEQK-LLVKDONJSA-N 2 2 290.433 -0.190 20 30 CBEDLP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001002532033 656836091 /nfs/dbraw/zinc/83/60/91/656836091.db2.gz GAQOBDTZBMUKRA-AWEZNQCLSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001002532033 656836095 /nfs/dbraw/zinc/83/60/95/656836095.db2.gz GAQOBDTZBMUKRA-AWEZNQCLSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007008681 656986853 /nfs/dbraw/zinc/98/68/53/656986853.db2.gz IUWMSOGWNPYGRU-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007008681 656986863 /nfs/dbraw/zinc/98/68/63/656986863.db2.gz IUWMSOGWNPYGRU-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007008681 656986871 /nfs/dbraw/zinc/98/68/71/656986871.db2.gz IUWMSOGWNPYGRU-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007008681 656986888 /nfs/dbraw/zinc/98/68/88/656986888.db2.gz IUWMSOGWNPYGRU-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001014779426 657381828 /nfs/dbraw/zinc/38/18/28/657381828.db2.gz KTRBSSILKRTPNL-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001014779426 657381834 /nfs/dbraw/zinc/38/18/34/657381834.db2.gz KTRBSSILKRTPNL-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO)C1 ZINC001014779426 657381839 /nfs/dbraw/zinc/38/18/39/657381839.db2.gz KTRBSSILKRTPNL-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO)C1 ZINC001014779426 657381842 /nfs/dbraw/zinc/38/18/42/657381842.db2.gz KTRBSSILKRTPNL-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015608739 657473342 /nfs/dbraw/zinc/47/33/42/657473342.db2.gz SUEHYQGJFVWDTK-KGLIPLIRSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015608739 657473347 /nfs/dbraw/zinc/47/33/47/657473347.db2.gz SUEHYQGJFVWDTK-KGLIPLIRSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015608739 657473362 /nfs/dbraw/zinc/47/33/62/657473362.db2.gz SUEHYQGJFVWDTK-KGLIPLIRSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015608739 657473365 /nfs/dbraw/zinc/47/33/65/657473365.db2.gz SUEHYQGJFVWDTK-KGLIPLIRSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015608740 657473450 /nfs/dbraw/zinc/47/34/50/657473450.db2.gz SUEHYQGJFVWDTK-UONOGXRCSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015608740 657473455 /nfs/dbraw/zinc/47/34/55/657473455.db2.gz SUEHYQGJFVWDTK-UONOGXRCSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015608740 657473463 /nfs/dbraw/zinc/47/34/63/657473463.db2.gz SUEHYQGJFVWDTK-UONOGXRCSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015608740 657473467 /nfs/dbraw/zinc/47/34/67/657473467.db2.gz SUEHYQGJFVWDTK-UONOGXRCSA-N 2 2 279.384 -0.081 20 30 CBEDLP C/C(=C\C(=O)NCC#CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000913524032 657492761 /nfs/dbraw/zinc/49/27/61/657492761.db2.gz WWBLMYJLWJRRCE-WYMLVPIESA-N 2 2 279.384 -0.054 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000923552351 658318260 /nfs/dbraw/zinc/31/82/60/658318260.db2.gz WRGOHQHFXBXAMU-GUTXKFCHSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C1 ZINC000923552351 658318270 /nfs/dbraw/zinc/31/82/70/658318270.db2.gz WRGOHQHFXBXAMU-GUTXKFCHSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000923552351 658318284 /nfs/dbraw/zinc/31/82/84/658318284.db2.gz WRGOHQHFXBXAMU-GUTXKFCHSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000923552351 658318292 /nfs/dbraw/zinc/31/82/92/658318292.db2.gz WRGOHQHFXBXAMU-GUTXKFCHSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC1(O)CC[NH+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000931141703 659386104 /nfs/dbraw/zinc/38/61/04/659386104.db2.gz GDKHSZSMJXZKEW-AWEZNQCLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076811938 805630246 /nfs/dbraw/zinc/63/02/46/805630246.db2.gz XERZQBDEXRPAIK-IJLUTSLNSA-N 2 2 253.346 -0.572 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076811938 805630251 /nfs/dbraw/zinc/63/02/51/805630251.db2.gz XERZQBDEXRPAIK-IJLUTSLNSA-N 2 2 253.346 -0.572 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076811938 805630255 /nfs/dbraw/zinc/63/02/55/805630255.db2.gz XERZQBDEXRPAIK-IJLUTSLNSA-N 2 2 253.346 -0.572 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076811938 805630258 /nfs/dbraw/zinc/63/02/58/805630258.db2.gz XERZQBDEXRPAIK-IJLUTSLNSA-N 2 2 253.346 -0.572 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC)C[C@H]1O ZINC001077158820 805690159 /nfs/dbraw/zinc/69/01/59/805690159.db2.gz ACPKWTVSPXSBSB-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC)C[C@H]1O ZINC001077158820 805690164 /nfs/dbraw/zinc/69/01/64/805690164.db2.gz ACPKWTVSPXSBSB-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC)C[C@H]1O ZINC001077158820 805690166 /nfs/dbraw/zinc/69/01/66/805690166.db2.gz ACPKWTVSPXSBSB-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC)C[C@H]1O ZINC001077158820 805690173 /nfs/dbraw/zinc/69/01/73/805690173.db2.gz ACPKWTVSPXSBSB-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1O ZINC001077158925 805692001 /nfs/dbraw/zinc/69/20/01/805692001.db2.gz FIFXBERQXSSGLZ-FRRDWIJNSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC)C[C@H]1O ZINC001077158925 805692007 /nfs/dbraw/zinc/69/20/07/805692007.db2.gz FIFXBERQXSSGLZ-FRRDWIJNSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC)C[C@H]1O ZINC001077158925 805692011 /nfs/dbraw/zinc/69/20/11/805692011.db2.gz FIFXBERQXSSGLZ-FRRDWIJNSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC)C[C@H]1O ZINC001077158925 805692016 /nfs/dbraw/zinc/69/20/16/805692016.db2.gz FIFXBERQXSSGLZ-FRRDWIJNSA-N 2 2 265.357 -0.735 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077237352 805705002 /nfs/dbraw/zinc/70/50/02/805705002.db2.gz HCZNRLXUVNIFAN-JHJVBQTASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001077237352 805705010 /nfs/dbraw/zinc/70/50/10/805705010.db2.gz HCZNRLXUVNIFAN-JHJVBQTASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077237352 805705015 /nfs/dbraw/zinc/70/50/15/805705015.db2.gz HCZNRLXUVNIFAN-JHJVBQTASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077237352 805705018 /nfs/dbraw/zinc/70/50/18/805705018.db2.gz HCZNRLXUVNIFAN-JHJVBQTASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077565373 805748924 /nfs/dbraw/zinc/74/89/24/805748924.db2.gz FUMYQURNDOYNHN-MCIONIFRSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077565373 805748929 /nfs/dbraw/zinc/74/89/29/805748929.db2.gz FUMYQURNDOYNHN-MCIONIFRSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077565373 805748931 /nfs/dbraw/zinc/74/89/31/805748931.db2.gz FUMYQURNDOYNHN-MCIONIFRSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077565373 805748938 /nfs/dbraw/zinc/74/89/38/805748938.db2.gz FUMYQURNDOYNHN-MCIONIFRSA-N 2 2 297.399 -0.557 20 30 CBEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077685151 805768160 /nfs/dbraw/zinc/76/81/60/805768160.db2.gz BAYSHLDBPWIGFW-ZIAGYGMSSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077685151 805768175 /nfs/dbraw/zinc/76/81/75/805768175.db2.gz BAYSHLDBPWIGFW-ZIAGYGMSSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685151 805768183 /nfs/dbraw/zinc/76/81/83/805768183.db2.gz BAYSHLDBPWIGFW-ZIAGYGMSSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077685151 805768188 /nfs/dbraw/zinc/76/81/88/805768188.db2.gz BAYSHLDBPWIGFW-ZIAGYGMSSA-N 2 2 293.411 -0.097 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679243 805769049 /nfs/dbraw/zinc/76/90/49/805769049.db2.gz LDPOUZYXYSHAKV-MGPQQGTHSA-N 2 2 279.384 -0.487 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077679243 805769051 /nfs/dbraw/zinc/76/90/51/805769051.db2.gz LDPOUZYXYSHAKV-MGPQQGTHSA-N 2 2 279.384 -0.487 20 30 CBEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077679243 805769056 /nfs/dbraw/zinc/76/90/56/805769056.db2.gz LDPOUZYXYSHAKV-MGPQQGTHSA-N 2 2 279.384 -0.487 20 30 CBEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077679243 805769062 /nfs/dbraw/zinc/76/90/62/805769062.db2.gz LDPOUZYXYSHAKV-MGPQQGTHSA-N 2 2 279.384 -0.487 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179200 805853441 /nfs/dbraw/zinc/85/34/41/805853441.db2.gz YVBAUKMYCLYUCF-CHWSQXEVSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179200 805853450 /nfs/dbraw/zinc/85/34/50/805853450.db2.gz YVBAUKMYCLYUCF-CHWSQXEVSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081435547 806079886 /nfs/dbraw/zinc/07/98/86/806079886.db2.gz XEWMIIWGJJVLNP-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081435547 806079899 /nfs/dbraw/zinc/07/98/99/806079899.db2.gz XEWMIIWGJJVLNP-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081435547 806079908 /nfs/dbraw/zinc/07/99/08/806079908.db2.gz XEWMIIWGJJVLNP-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081435547 806079909 /nfs/dbraw/zinc/07/99/09/806079909.db2.gz XEWMIIWGJJVLNP-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001082327536 806164797 /nfs/dbraw/zinc/16/47/97/806164797.db2.gz ZLTJIXYIRAHWIU-CHWSQXEVSA-N 2 2 278.356 -0.036 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001082327536 806164803 /nfs/dbraw/zinc/16/48/03/806164803.db2.gz ZLTJIXYIRAHWIU-CHWSQXEVSA-N 2 2 278.356 -0.036 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192621 806237097 /nfs/dbraw/zinc/23/70/97/806237097.db2.gz JDGWLEGMYRECNS-SOUVJXGZSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192621 806237107 /nfs/dbraw/zinc/23/71/07/806237107.db2.gz JDGWLEGMYRECNS-SOUVJXGZSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192621 806237111 /nfs/dbraw/zinc/23/71/11/806237111.db2.gz JDGWLEGMYRECNS-SOUVJXGZSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192621 806237116 /nfs/dbraw/zinc/23/71/16/806237116.db2.gz JDGWLEGMYRECNS-SOUVJXGZSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274161 806244673 /nfs/dbraw/zinc/24/46/73/806244673.db2.gz ZNODZTKJEHUBSV-HZSPNIEDSA-N 2 2 277.368 -0.517 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083274161 806244678 /nfs/dbraw/zinc/24/46/78/806244678.db2.gz ZNODZTKJEHUBSV-HZSPNIEDSA-N 2 2 277.368 -0.517 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274161 806244684 /nfs/dbraw/zinc/24/46/84/806244684.db2.gz ZNODZTKJEHUBSV-HZSPNIEDSA-N 2 2 277.368 -0.517 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083274161 806244691 /nfs/dbraw/zinc/24/46/91/806244691.db2.gz ZNODZTKJEHUBSV-HZSPNIEDSA-N 2 2 277.368 -0.517 20 30 CBEDLP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385539 806298290 /nfs/dbraw/zinc/29/82/90/806298290.db2.gz RANGSUOMGGSOAR-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385539 806298295 /nfs/dbraw/zinc/29/82/95/806298295.db2.gz RANGSUOMGGSOAR-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385539 806298303 /nfs/dbraw/zinc/29/83/03/806298303.db2.gz RANGSUOMGGSOAR-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385539 806298307 /nfs/dbraw/zinc/29/83/07/806298307.db2.gz RANGSUOMGGSOAR-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083473565 806336329 /nfs/dbraw/zinc/33/63/29/806336329.db2.gz IZWCYNUCAHPIQA-DGAVXFQQSA-N 2 2 279.384 -0.489 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083473565 806336339 /nfs/dbraw/zinc/33/63/39/806336339.db2.gz IZWCYNUCAHPIQA-DGAVXFQQSA-N 2 2 279.384 -0.489 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083473565 806336349 /nfs/dbraw/zinc/33/63/49/806336349.db2.gz IZWCYNUCAHPIQA-DGAVXFQQSA-N 2 2 279.384 -0.489 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083473565 806336358 /nfs/dbraw/zinc/33/63/58/806336358.db2.gz IZWCYNUCAHPIQA-DGAVXFQQSA-N 2 2 279.384 -0.489 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565204 806368566 /nfs/dbraw/zinc/36/85/66/806368566.db2.gz GWEHYKRTVLECPC-YIYPIFLZSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565204 806368575 /nfs/dbraw/zinc/36/85/75/806368575.db2.gz GWEHYKRTVLECPC-YIYPIFLZSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565204 806368584 /nfs/dbraw/zinc/36/85/84/806368584.db2.gz GWEHYKRTVLECPC-YIYPIFLZSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565204 806368594 /nfs/dbraw/zinc/36/85/94/806368594.db2.gz GWEHYKRTVLECPC-YIYPIFLZSA-N 2 2 297.399 -0.557 20 30 CBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573565 806370473 /nfs/dbraw/zinc/37/04/73/806370473.db2.gz NAVLGVBAVJMOSO-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573565 806370484 /nfs/dbraw/zinc/37/04/84/806370484.db2.gz NAVLGVBAVJMOSO-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573565 806370493 /nfs/dbraw/zinc/37/04/93/806370493.db2.gz NAVLGVBAVJMOSO-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573565 806370502 /nfs/dbraw/zinc/37/05/02/806370502.db2.gz NAVLGVBAVJMOSO-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083695562 806403889 /nfs/dbraw/zinc/40/38/89/806403889.db2.gz HOBKUGUULYTMEQ-OLZOCXBDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083695562 806403895 /nfs/dbraw/zinc/40/38/95/806403895.db2.gz HOBKUGUULYTMEQ-OLZOCXBDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058277 806483185 /nfs/dbraw/zinc/48/31/85/806483185.db2.gz SJVCUBDMMGLZSQ-NEPJUHHUSA-N 2 2 253.346 -0.571 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058277 806483187 /nfs/dbraw/zinc/48/31/87/806483187.db2.gz SJVCUBDMMGLZSQ-NEPJUHHUSA-N 2 2 253.346 -0.571 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029342456 799195833 /nfs/dbraw/zinc/19/58/33/799195833.db2.gz PQGBJMAXPFCEGV-ZNMIVQPWSA-N 2 2 291.395 -0.249 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029342456 799195834 /nfs/dbraw/zinc/19/58/34/799195834.db2.gz PQGBJMAXPFCEGV-ZNMIVQPWSA-N 2 2 291.395 -0.249 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029342456 799195836 /nfs/dbraw/zinc/19/58/36/799195836.db2.gz PQGBJMAXPFCEGV-ZNMIVQPWSA-N 2 2 291.395 -0.249 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029342456 799195837 /nfs/dbraw/zinc/19/58/37/799195837.db2.gz PQGBJMAXPFCEGV-ZNMIVQPWSA-N 2 2 291.395 -0.249 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001030463491 799319939 /nfs/dbraw/zinc/31/99/39/799319939.db2.gz OMXQZPMJMMKFSZ-ZFWWWQNUSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001030463491 799319948 /nfs/dbraw/zinc/31/99/48/799319948.db2.gz OMXQZPMJMMKFSZ-ZFWWWQNUSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCO)C2)CC1 ZINC001031435292 799488988 /nfs/dbraw/zinc/48/89/88/799488988.db2.gz WTHWAHDKVCMRDT-UHFFFAOYSA-N 2 2 265.357 -0.876 20 30 CBEDLP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001032197840 799593886 /nfs/dbraw/zinc/59/38/86/799593886.db2.gz XRGFCRQIKDBFFO-CQSZACIVSA-N 2 2 279.384 -0.222 20 30 CBEDLP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001032197840 799593889 /nfs/dbraw/zinc/59/38/89/799593889.db2.gz XRGFCRQIKDBFFO-CQSZACIVSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)O ZINC001032453912 799629730 /nfs/dbraw/zinc/62/97/30/799629730.db2.gz UXHOZAIZKQGYCB-AJNGGQMLSA-N 2 2 291.395 -0.250 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)O ZINC001032453912 799629731 /nfs/dbraw/zinc/62/97/31/799629731.db2.gz UXHOZAIZKQGYCB-AJNGGQMLSA-N 2 2 291.395 -0.250 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](C)O ZINC001032453912 799629732 /nfs/dbraw/zinc/62/97/32/799629732.db2.gz UXHOZAIZKQGYCB-AJNGGQMLSA-N 2 2 291.395 -0.250 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](C)O ZINC001032453912 799629733 /nfs/dbraw/zinc/62/97/33/799629733.db2.gz UXHOZAIZKQGYCB-AJNGGQMLSA-N 2 2 291.395 -0.250 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032976370 799698721 /nfs/dbraw/zinc/69/87/21/799698721.db2.gz OQMZNHARVXRPAF-OLZOCXBDSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032976370 799698724 /nfs/dbraw/zinc/69/87/24/799698724.db2.gz OQMZNHARVXRPAF-OLZOCXBDSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032976370 799698726 /nfs/dbraw/zinc/69/87/26/799698726.db2.gz OQMZNHARVXRPAF-OLZOCXBDSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032976370 799698730 /nfs/dbraw/zinc/69/87/30/799698730.db2.gz OQMZNHARVXRPAF-OLZOCXBDSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032976369 799700274 /nfs/dbraw/zinc/70/02/74/799700274.db2.gz OQMZNHARVXRPAF-CHWSQXEVSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032976369 799700275 /nfs/dbraw/zinc/70/02/75/799700275.db2.gz OQMZNHARVXRPAF-CHWSQXEVSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032976369 799700277 /nfs/dbraw/zinc/70/02/77/799700277.db2.gz OQMZNHARVXRPAF-CHWSQXEVSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032976369 799700278 /nfs/dbraw/zinc/70/02/78/799700278.db2.gz OQMZNHARVXRPAF-CHWSQXEVSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001039039909 801284871 /nfs/dbraw/zinc/28/48/71/801284871.db2.gz QHUFULCYAPHIAS-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001039039909 801284877 /nfs/dbraw/zinc/28/48/77/801284877.db2.gz QHUFULCYAPHIAS-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039039909 801284881 /nfs/dbraw/zinc/28/48/81/801284881.db2.gz QHUFULCYAPHIAS-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039039909 801284885 /nfs/dbraw/zinc/28/48/85/801284885.db2.gz QHUFULCYAPHIAS-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001045398257 801695514 /nfs/dbraw/zinc/69/55/14/801695514.db2.gz XVCHSDUXKFQUOJ-CYBMUJFWSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001045398257 801695519 /nfs/dbraw/zinc/69/55/19/801695519.db2.gz XVCHSDUXKFQUOJ-CYBMUJFWSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046221003 801741294 /nfs/dbraw/zinc/74/12/94/801741294.db2.gz WQROSKSASWEVGH-DZGCQCFKSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046221003 801741281 /nfs/dbraw/zinc/74/12/81/801741281.db2.gz WQROSKSASWEVGH-DZGCQCFKSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046221003 801741288 /nfs/dbraw/zinc/74/12/88/801741288.db2.gz WQROSKSASWEVGH-DZGCQCFKSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046221003 801741297 /nfs/dbraw/zinc/74/12/97/801741297.db2.gz WQROSKSASWEVGH-DZGCQCFKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047333659 801839660 /nfs/dbraw/zinc/83/96/60/801839660.db2.gz NSAQRQUYGHQMPI-IHRRRGAJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047333659 801839667 /nfs/dbraw/zinc/83/96/67/801839667.db2.gz NSAQRQUYGHQMPI-IHRRRGAJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001047333659 801839674 /nfs/dbraw/zinc/83/96/74/801839674.db2.gz NSAQRQUYGHQMPI-IHRRRGAJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001047333659 801839680 /nfs/dbraw/zinc/83/96/80/801839680.db2.gz NSAQRQUYGHQMPI-IHRRRGAJSA-N 2 2 297.399 -0.603 20 30 CBEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001047527489 801896446 /nfs/dbraw/zinc/89/64/46/801896446.db2.gz FSNGLFPLZTYAQU-KKUMJFAQSA-N 2 2 293.411 -0.145 20 30 CBEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001047527489 801896452 /nfs/dbraw/zinc/89/64/52/801896452.db2.gz FSNGLFPLZTYAQU-KKUMJFAQSA-N 2 2 293.411 -0.145 20 30 CBEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001047527489 801896464 /nfs/dbraw/zinc/89/64/64/801896464.db2.gz FSNGLFPLZTYAQU-KKUMJFAQSA-N 2 2 293.411 -0.145 20 30 CBEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001047527489 801896468 /nfs/dbraw/zinc/89/64/68/801896468.db2.gz FSNGLFPLZTYAQU-KKUMJFAQSA-N 2 2 293.411 -0.145 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001047638582 801914796 /nfs/dbraw/zinc/91/47/96/801914796.db2.gz ZGIZWIAWADEPEN-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001047638582 801914801 /nfs/dbraw/zinc/91/48/01/801914801.db2.gz ZGIZWIAWADEPEN-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001047638582 801914806 /nfs/dbraw/zinc/91/48/06/801914806.db2.gz ZGIZWIAWADEPEN-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001047638582 801914809 /nfs/dbraw/zinc/91/48/09/801914809.db2.gz ZGIZWIAWADEPEN-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646854 801917041 /nfs/dbraw/zinc/91/70/41/801917041.db2.gz MWRBLULDOURTFM-STQMWFEESA-N 2 2 278.356 -0.037 20 30 CBEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646854 801917046 /nfs/dbraw/zinc/91/70/46/801917046.db2.gz MWRBLULDOURTFM-STQMWFEESA-N 2 2 278.356 -0.037 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049174465 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C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090674791 810546128 /nfs/dbraw/zinc/54/61/28/810546128.db2.gz ZZHHTRJREPVUKN-GJZGRUSLSA-N 2 2 293.411 -0.097 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727355 810556082 /nfs/dbraw/zinc/55/60/82/810556082.db2.gz KBHGDVRTJFTRTR-UONOGXRCSA-N 2 2 290.367 -0.463 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727355 810556091 /nfs/dbraw/zinc/55/60/91/810556091.db2.gz KBHGDVRTJFTRTR-UONOGXRCSA-N 2 2 290.367 -0.463 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763301 810563113 /nfs/dbraw/zinc/56/31/13/810563113.db2.gz FMKQEXXDFCHSLK-GXTWGEPZSA-N 2 2 290.367 -0.165 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763301 810563119 /nfs/dbraw/zinc/56/31/19/810563119.db2.gz FMKQEXXDFCHSLK-GXTWGEPZSA-N 2 2 290.367 -0.165 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090813056 810569929 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CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099809624 810943557 /nfs/dbraw/zinc/94/35/57/810943557.db2.gz KLNQXKHVGREALV-QWHCGFSZSA-N 2 2 290.367 -0.083 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099809624 810943563 /nfs/dbraw/zinc/94/35/63/810943563.db2.gz KLNQXKHVGREALV-QWHCGFSZSA-N 2 2 290.367 -0.083 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099809625 810945669 /nfs/dbraw/zinc/94/56/69/810945669.db2.gz KLNQXKHVGREALV-STQMWFEESA-N 2 2 290.367 -0.083 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099809625 810945674 /nfs/dbraw/zinc/94/56/74/810945674.db2.gz KLNQXKHVGREALV-STQMWFEESA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099871793 810957679 /nfs/dbraw/zinc/95/76/79/810957679.db2.gz KHMFMVITLQHDEL-KGLIPLIRSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099871793 810957683 /nfs/dbraw/zinc/95/76/83/810957683.db2.gz KHMFMVITLQHDEL-KGLIPLIRSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099871793 810957691 /nfs/dbraw/zinc/95/76/91/810957691.db2.gz KHMFMVITLQHDEL-KGLIPLIRSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099871793 810957697 /nfs/dbraw/zinc/95/76/97/810957697.db2.gz KHMFMVITLQHDEL-KGLIPLIRSA-N 2 2 290.367 -0.083 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939293 810972604 /nfs/dbraw/zinc/97/26/04/810972604.db2.gz CTIKXUMVJVOYQD-KBPBESRZSA-N 2 2 290.367 -0.152 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939293 810972606 /nfs/dbraw/zinc/97/26/06/810972606.db2.gz CTIKXUMVJVOYQD-KBPBESRZSA-N 2 2 290.367 -0.152 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939295 810972695 /nfs/dbraw/zinc/97/26/95/810972695.db2.gz CTIKXUMVJVOYQD-UONOGXRCSA-N 2 2 290.367 -0.152 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939295 810972697 /nfs/dbraw/zinc/97/26/97/810972697.db2.gz CTIKXUMVJVOYQD-UONOGXRCSA-N 2 2 290.367 -0.152 20 30 CBEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343188 811439150 /nfs/dbraw/zinc/43/91/50/811439150.db2.gz NLIRZKKWKKJRPU-OAHLLOKOSA-N 2 2 299.415 -0.042 20 30 CBEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343188 811439153 /nfs/dbraw/zinc/43/91/53/811439153.db2.gz NLIRZKKWKKJRPU-OAHLLOKOSA-N 2 2 299.415 -0.042 20 30 CBEDLP C#CC[C@]1(C(=O)N2CC[NH2+]C[C@H]2C(=O)OCC)CCC[NH2+]1 ZINC001158000774 815496585 /nfs/dbraw/zinc/49/65/85/815496585.db2.gz ZSXRWQGWDOEYTD-SWLSCSKDSA-N 2 2 293.367 -0.505 20 30 CBEDLP N#Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C#N)c1 ZINC001158204252 815512856 /nfs/dbraw/zinc/51/28/56/815512856.db2.gz PGAMPELVVFFIPZ-LLVKDONJSA-N 2 2 268.280 -0.127 20 30 CBEDLP Cc1nc(C#N)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 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291.355 -0.812 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129224008 813825128 /nfs/dbraw/zinc/82/51/28/813825128.db2.gz RBALXMWKXQUIFM-OLZOCXBDSA-N 2 2 290.371 -0.796 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129224008 813825135 /nfs/dbraw/zinc/82/51/35/813825135.db2.gz RBALXMWKXQUIFM-OLZOCXBDSA-N 2 2 290.371 -0.796 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891951 813876818 /nfs/dbraw/zinc/87/68/18/813876818.db2.gz ZLMXLPONEJIXGK-VXGBXAGGSA-N 2 2 276.340 -0.131 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404095 813936215 /nfs/dbraw/zinc/93/62/15/813936215.db2.gz FWZXKEOOVXOQTJ-CYBMUJFWSA-N 2 2 290.367 -0.199 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082350 814099650 /nfs/dbraw/zinc/09/96/50/814099650.db2.gz LXOSLBKFFOBJJD-GFCCVEGCSA-N 2 2 291.355 -0.883 20 30 CBEDLP C=CCN1CC[C@H]([NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001134394301 814379688 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CBEDLP N#CCCN(CCC#N)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160751256 815667522 /nfs/dbraw/zinc/66/75/22/815667522.db2.gz SGQZTSOSLPOHGA-LLVKDONJSA-N 2 2 260.301 -0.065 20 30 CBEDLP C#CC[N@H+]1CCCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC001293715850 816525092 /nfs/dbraw/zinc/52/50/92/816525092.db2.gz MJNYJCWKKTXTJU-OAHLLOKOSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@@H+]1CCCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC001293715850 816525097 /nfs/dbraw/zinc/52/50/97/816525097.db2.gz MJNYJCWKKTXTJU-OAHLLOKOSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001304208373 816782643 /nfs/dbraw/zinc/78/26/43/816782643.db2.gz KXNFEOHBFJOPGQ-ZDUSSCGKSA-N 2 2 263.341 -0.717 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001304208373 816782645 /nfs/dbraw/zinc/78/26/45/816782645.db2.gz KXNFEOHBFJOPGQ-ZDUSSCGKSA-N 2 2 263.341 -0.717 20 30 CBEDLP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)NCC#N ZINC001317451498 816983160 /nfs/dbraw/zinc/98/31/60/816983160.db2.gz NJMNXNBKXLPJIN-LBPRGKRZSA-N 2 2 295.387 -0.842 20 30 CBEDLP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)NCC#N ZINC001317451498 816983166 /nfs/dbraw/zinc/98/31/66/816983166.db2.gz NJMNXNBKXLPJIN-LBPRGKRZSA-N 2 2 295.387 -0.842 20 30 CBEDLP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(=O)NCC#N ZINC001317451498 816983172 /nfs/dbraw/zinc/98/31/72/816983172.db2.gz NJMNXNBKXLPJIN-LBPRGKRZSA-N 2 2 295.387 -0.842 20 30 CBEDLP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CC(=O)NCC#N ZINC001317451498 816983175 /nfs/dbraw/zinc/98/31/75/816983175.db2.gz NJMNXNBKXLPJIN-LBPRGKRZSA-N 2 2 295.387 -0.842 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001317448730 816983958 /nfs/dbraw/zinc/98/39/58/816983958.db2.gz CLAIRHKAHTZDTC-GFCCVEGCSA-N 2 2 282.388 -0.876 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001317448730 816983962 /nfs/dbraw/zinc/98/39/62/816983962.db2.gz CLAIRHKAHTZDTC-GFCCVEGCSA-N 2 2 282.388 -0.876 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317466785 816989086 /nfs/dbraw/zinc/98/90/86/816989086.db2.gz HCNUPOMWUVMAHR-CYBMUJFWSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317466785 816989088 /nfs/dbraw/zinc/98/90/88/816989088.db2.gz HCNUPOMWUVMAHR-CYBMUJFWSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317466785 816989092 /nfs/dbraw/zinc/98/90/92/816989092.db2.gz HCNUPOMWUVMAHR-CYBMUJFWSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317466785 816989094 /nfs/dbraw/zinc/98/90/94/816989094.db2.gz HCNUPOMWUVMAHR-CYBMUJFWSA-N 2 2 296.415 -0.322 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001320282458 817312865 /nfs/dbraw/zinc/31/28/65/817312865.db2.gz HXFSPZXQOSAHFW-CHWSQXEVSA-N 2 2 278.356 -0.076 20 30 CBEDLP COCC#CC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238554 820355204 /nfs/dbraw/zinc/35/52/04/820355204.db2.gz SPVXNTXXZSMHOO-UHFFFAOYSA-N 2 2 278.356 -0.292 20 30 CBEDLP COCC#CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177405313 820512832 /nfs/dbraw/zinc/51/28/32/820512832.db2.gz MRSLMOGLPSNIEI-UHFFFAOYSA-N 2 2 264.329 -0.371 20 30 CBEDLP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001281169014 828405935 /nfs/dbraw/zinc/40/59/35/828405935.db2.gz WLCLZAZWPIQMSI-HNNXBMFYSA-N 2 2 290.367 -0.081 20 30 CBEDLP C#CC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001281635239 828421488 /nfs/dbraw/zinc/42/14/88/828421488.db2.gz SVDHMCVDCZSAEZ-UHFFFAOYSA-N 2 2 290.367 -0.461 20 30 CBEDLP C=CC[NH2+][C@@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001283766064 828545313 /nfs/dbraw/zinc/54/53/13/828545313.db2.gz YPYYQGBKZFRSDV-LLVKDONJSA-N 2 2 252.318 -0.405 20 30 CBEDLP C=CC[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001283766064 828545317 /nfs/dbraw/zinc/54/53/17/828545317.db2.gz YPYYQGBKZFRSDV-LLVKDONJSA-N 2 2 252.318 -0.405 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001284447412 828597081 /nfs/dbraw/zinc/59/70/81/828597081.db2.gz UMRIFWRMULGPJP-DGCLKSJQSA-N 2 2 278.356 -0.370 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001284447412 828597087 /nfs/dbraw/zinc/59/70/87/828597087.db2.gz UMRIFWRMULGPJP-DGCLKSJQSA-N 2 2 278.356 -0.370 20 30 CBEDLP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001284516738 828607652 /nfs/dbraw/zinc/60/76/52/828607652.db2.gz OCLVIBLBPCTBMA-LBPRGKRZSA-N 2 2 278.356 -0.355 20 30 CBEDLP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001284516738 828607656 /nfs/dbraw/zinc/60/76/56/828607656.db2.gz OCLVIBLBPCTBMA-LBPRGKRZSA-N 2 2 278.356 -0.355 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196206692 824152672 /nfs/dbraw/zinc/15/26/72/824152672.db2.gz GMHAMLGZMDWTHJ-GRYCIOLGSA-N 2 2 253.346 -0.879 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196206692 824152674 /nfs/dbraw/zinc/15/26/74/824152674.db2.gz GMHAMLGZMDWTHJ-GRYCIOLGSA-N 2 2 253.346 -0.879 20 30 CBEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111832 824249849 /nfs/dbraw/zinc/24/98/49/824249849.db2.gz OKLIVUOQQSBZGX-ZIAGYGMSSA-N 2 2 297.399 -0.862 20 30 CBEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111832 824249854 /nfs/dbraw/zinc/24/98/54/824249854.db2.gz OKLIVUOQQSBZGX-ZIAGYGMSSA-N 2 2 297.399 -0.862 20 30 CBEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111832 824249860 /nfs/dbraw/zinc/24/98/60/824249860.db2.gz OKLIVUOQQSBZGX-ZIAGYGMSSA-N 2 2 297.399 -0.862 20 30 CBEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111832 824249867 /nfs/dbraw/zinc/24/98/67/824249867.db2.gz OKLIVUOQQSBZGX-ZIAGYGMSSA-N 2 2 297.399 -0.862 20 30 CBEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201515778 824333626 /nfs/dbraw/zinc/33/36/26/824333626.db2.gz NMFAVXWLOXTYET-ZDUSSCGKSA-N 2 2 276.340 -0.208 20 30 CBEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201727000 824335117 /nfs/dbraw/zinc/33/51/17/824335117.db2.gz QNJINWDOYGTXTN-LBPRGKRZSA-N 2 2 276.340 -0.208 20 30 CBEDLP N#Cc1cnc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001218503350 824573017 /nfs/dbraw/zinc/57/30/17/824573017.db2.gz GDCQPJBBEYZFFB-UHFFFAOYSA-N 2 2 260.301 -0.372 20 30 CBEDLP N#Cc1nc(N)c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)nc1C#N ZINC001218594298 824601753 /nfs/dbraw/zinc/60/17/53/824601753.db2.gz CAXRYTCZXMXCFW-SSDOTTSWSA-N 2 2 297.282 -0.966 20 30 CBEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1c[nH]nc1C#N ZINC001218656245 824617302 /nfs/dbraw/zinc/61/73/02/824617302.db2.gz RFEGVBUCIJBQOR-QMMMGPOBSA-N 2 2 259.273 -0.477 20 30 CBEDLP N=C(c1ccccc1N)N(O)C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218966631 824651561 /nfs/dbraw/zinc/65/15/61/824651561.db2.gz VHJOWAIMTSBTJL-VIFPVBQESA-N 2 2 251.290 -0.512 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCC)[C@H]2C1 ZINC001219003086 824652875 /nfs/dbraw/zinc/65/28/75/824652875.db2.gz SRKGMUWGJFFTLB-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CCC)[C@H]2C1 ZINC001219003086 824652866 /nfs/dbraw/zinc/65/28/66/824652866.db2.gz SRKGMUWGJFFTLB-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CCC)[C@H]2C1 ZINC001219003086 824652869 /nfs/dbraw/zinc/65/28/69/824652869.db2.gz SRKGMUWGJFFTLB-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCC)[C@H]2C1 ZINC001219003086 824652871 /nfs/dbraw/zinc/65/28/71/824652871.db2.gz SRKGMUWGJFFTLB-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543267 824724454 /nfs/dbraw/zinc/72/44/54/824724454.db2.gz FTZRYFAUTNOXFE-MNOVXSKESA-N 2 2 264.329 -0.310 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543267 824724463 /nfs/dbraw/zinc/72/44/63/824724463.db2.gz FTZRYFAUTNOXFE-MNOVXSKESA-N 2 2 264.329 -0.310 20 30 CBEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O)[NH+](C)C ZINC001219875012 824906597 /nfs/dbraw/zinc/90/65/97/824906597.db2.gz MXQOGFJEVJAXSG-MCIONIFRSA-N 2 2 297.399 -0.862 20 30 CBEDLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O)[NH+](C)C ZINC001219875012 824906601 /nfs/dbraw/zinc/90/66/01/824906601.db2.gz MXQOGFJEVJAXSG-MCIONIFRSA-N 2 2 297.399 -0.862 20 30 CBEDLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N/C=C/C(=O)C(F)(F)F)C1 ZINC001220343290 825019582 /nfs/dbraw/zinc/01/95/82/825019582.db2.gz IAVKNMQKQGCEBI-GONBATFASA-N 2 2 251.208 -0.563 20 30 CBEDLP C=C[C@H]1C[C@@]1(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(=O)OCC ZINC001220570928 825063026 /nfs/dbraw/zinc/06/30/26/825063026.db2.gz DJEAPDUVAOXSHC-WXSGPUQCSA-N 2 2 293.367 -0.168 20 30 CBEDLP C=C[C@@H]1C[C@]1(NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)C(=O)OCC ZINC001220571191 825065638 /nfs/dbraw/zinc/06/56/38/825065638.db2.gz LJIHPJXNEYCPLS-YIKOMLBNSA-N 2 2 293.367 -0.438 20 30 CBEDLP C=C[C@@H]1C[C@@]1(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)OCC ZINC001220573509 825068690 /nfs/dbraw/zinc/06/86/90/825068690.db2.gz NPBTUPMOOOEXBB-QYTUQVAYSA-N 2 2 267.329 -0.843 20 30 CBEDLP N#Cc1cnc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])s1 ZINC001220872054 825116875 /nfs/dbraw/zinc/11/68/75/825116875.db2.gz INBNPHIPHVRWDZ-YUMQZZPRSA-N 2 2 251.315 -0.822 20 30 CBEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220868723 825117267 /nfs/dbraw/zinc/11/72/67/825117267.db2.gz QKUJMEIQTCXCKD-SRVKXCTJSA-N 3 2 252.362 -0.700 20 30 CBEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220868723 825117270 /nfs/dbraw/zinc/11/72/70/825117270.db2.gz QKUJMEIQTCXCKD-SRVKXCTJSA-N 3 2 252.362 -0.700 20 30 CBEDLP N#Cc1ccc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1 ZINC001221089045 825142865 /nfs/dbraw/zinc/14/28/65/825142865.db2.gz FNXCYHDXRRGYHK-BZPMIXESSA-N 2 2 271.324 -0.209 20 30 CBEDLP C=CC[C@@](C)(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(=O)OC ZINC001221381434 825178403 /nfs/dbraw/zinc/17/84/03/825178403.db2.gz AWJLJHCRPLKKMC-MHWZDGSBSA-N 2 2 281.356 -0.168 20 30 CBEDLP C=CC[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC ZINC001246264522 825657750 /nfs/dbraw/zinc/65/77/50/825657750.db2.gz CDKQJWZOOXFJGB-WDEREUQCSA-N 2 2 253.346 -0.212 20 30 CBEDLP C[C@@H]1C[N@H+](CCNC(=O)NCC#CC[NH+](C)C)[C@H](C)CO1 ZINC001256584912 826026683 /nfs/dbraw/zinc/02/66/83/826026683.db2.gz KQUZHNKCYXRBEI-ZIAGYGMSSA-N 2 2 296.415 -0.040 20 30 CBEDLP C[C@@H]1C[N@@H+](CCNC(=O)NCC#CC[NH+](C)C)[C@H](C)CO1 ZINC001256584912 826026696 /nfs/dbraw/zinc/02/66/96/826026696.db2.gz KQUZHNKCYXRBEI-ZIAGYGMSSA-N 2 2 296.415 -0.040 20 30 CBEDLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC#CC[NH+](C)C ZINC001256584910 826026749 /nfs/dbraw/zinc/02/67/49/826026749.db2.gz KQUZHNKCYXRBEI-KGLIPLIRSA-N 2 2 296.415 -0.040 20 30 CBEDLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC#CC[NH+](C)C ZINC001256584910 826026756 /nfs/dbraw/zinc/02/67/56/826026756.db2.gz KQUZHNKCYXRBEI-KGLIPLIRSA-N 2 2 296.415 -0.040 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001266180858 826960322 /nfs/dbraw/zinc/96/03/22/826960322.db2.gz OTTYYLYTTBTBMS-LLVKDONJSA-N 2 2 291.355 -0.814 20 30 CBEDLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)CC[N@@H+]1C ZINC001266285542 826972161 /nfs/dbraw/zinc/97/21/61/826972161.db2.gz DBCILXIGAJYFBO-ZIAGYGMSSA-N 2 2 293.415 -0.416 20 30 CBEDLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)CC[N@H+]1C ZINC001266285542 826972164 /nfs/dbraw/zinc/97/21/64/826972164.db2.gz DBCILXIGAJYFBO-ZIAGYGMSSA-N 2 2 293.415 -0.416 20 30 CBEDLP COCC#CC[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001266981409 827102406 /nfs/dbraw/zinc/10/24/06/827102406.db2.gz JNOZUUHSDFEJKD-NSHDSACASA-N 2 2 264.329 -0.304 20 30 CBEDLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NCC#N ZINC001267821594 827227060 /nfs/dbraw/zinc/22/70/60/827227060.db2.gz PNXXWNTWEFYQKM-SNVBAGLBSA-N 2 2 292.343 -0.924 20 30 CBEDLP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268097720 827256282 /nfs/dbraw/zinc/25/62/82/827256282.db2.gz JANFCDOOBZUGTI-GFCCVEGCSA-N 2 2 291.355 -0.931 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001269486422 827514229 /nfs/dbraw/zinc/51/42/29/827514229.db2.gz LNVIZSKOORNJMJ-NSHDSACASA-N 2 2 291.355 -0.814 20 30 CBEDLP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270027767 827541765 /nfs/dbraw/zinc/54/17/65/827541765.db2.gz MIPDALNKXOVOOO-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270027767 827541767 /nfs/dbraw/zinc/54/17/67/827541767.db2.gz MIPDALNKXOVOOO-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001271387843 827697876 /nfs/dbraw/zinc/69/78/76/827697876.db2.gz GRNWODNKHZDZAC-LBPRGKRZSA-N 2 2 265.357 -0.876 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001271387843 827697871 /nfs/dbraw/zinc/69/78/71/827697871.db2.gz GRNWODNKHZDZAC-LBPRGKRZSA-N 2 2 265.357 -0.876 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001272171885 827766768 /nfs/dbraw/zinc/76/67/68/827766768.db2.gz HVTVNNXYTPEFHM-ZDUSSCGKSA-N 2 2 296.415 -0.370 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001272171885 827766773 /nfs/dbraw/zinc/76/67/73/827766773.db2.gz HVTVNNXYTPEFHM-ZDUSSCGKSA-N 2 2 296.415 -0.370 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001272171885 827766776 /nfs/dbraw/zinc/76/67/76/827766776.db2.gz HVTVNNXYTPEFHM-ZDUSSCGKSA-N 2 2 296.415 -0.370 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001272171885 827766781 /nfs/dbraw/zinc/76/67/81/827766781.db2.gz HVTVNNXYTPEFHM-ZDUSSCGKSA-N 2 2 296.415 -0.370 20 30 CBEDLP CC#CC[NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001272265051 827774377 /nfs/dbraw/zinc/77/43/77/827774377.db2.gz JGVLGZAQVRJMHS-UHFFFAOYSA-N 2 2 264.329 -0.614 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001272537043 827817906 /nfs/dbraw/zinc/81/79/06/827817906.db2.gz PKFGYSVRGVZPCX-WCQYABFASA-N 2 2 278.356 -0.322 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001272537043 827817918 /nfs/dbraw/zinc/81/79/18/827817918.db2.gz PKFGYSVRGVZPCX-WCQYABFASA-N 2 2 278.356 -0.322 20 30 CBEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001273365757 827893917 /nfs/dbraw/zinc/89/39/17/827893917.db2.gz NKTRONPVDGOIOI-CYBMUJFWSA-N 2 2 276.340 -0.277 20 30 CBEDLP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001273935548 827943851 /nfs/dbraw/zinc/94/38/51/827943851.db2.gz FALIBYIVKKAKOO-HNNXBMFYSA-N 2 2 290.367 -0.151 20 30 CBEDLP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275800799 828116273 /nfs/dbraw/zinc/11/62/73/828116273.db2.gz LFSAETMGXWHXBF-KBPBESRZSA-N 2 2 297.399 -0.597 20 30 CBEDLP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275800799 828116274 /nfs/dbraw/zinc/11/62/74/828116274.db2.gz LFSAETMGXWHXBF-KBPBESRZSA-N 2 2 297.399 -0.597 20 30 CBEDLP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275800799 828116276 /nfs/dbraw/zinc/11/62/76/828116276.db2.gz LFSAETMGXWHXBF-KBPBESRZSA-N 2 2 297.399 -0.597 20 30 CBEDLP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275800799 828116277 /nfs/dbraw/zinc/11/62/77/828116277.db2.gz LFSAETMGXWHXBF-KBPBESRZSA-N 2 2 297.399 -0.597 20 30 CBEDLP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001276816287 828162103 /nfs/dbraw/zinc/16/21/03/828162103.db2.gz ZJEYNVMOWKIDLB-JSGCOSHPSA-N 2 2 290.367 -0.199 20 30 CBEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001278106375 828249461 /nfs/dbraw/zinc/24/94/61/828249461.db2.gz XYYCWIXGYHLPTL-QWHCGFSZSA-N 2 2 290.367 -0.465 20 30 CBEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001278106373 828249558 /nfs/dbraw/zinc/24/95/58/828249558.db2.gz XYYCWIXGYHLPTL-CHWSQXEVSA-N 2 2 290.367 -0.465 20 30 CBEDLP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001278179706 828257042 /nfs/dbraw/zinc/25/70/42/828257042.db2.gz TXILBJFGNGYBEF-GFCCVEGCSA-N 2 2 280.372 -0.005 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001278785372 828288003 /nfs/dbraw/zinc/28/80/03/828288003.db2.gz DYOPDGBBECZNEV-GFCCVEGCSA-N 2 2 280.372 -0.052 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001278809833 828292327 /nfs/dbraw/zinc/29/23/27/828292327.db2.gz IMOZJMJPQXECSW-OLZOCXBDSA-N 2 2 278.356 -0.124 20 30 CBEDLP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCOC ZINC001279041248 828313745 /nfs/dbraw/zinc/31/37/45/828313745.db2.gz VFULXMZPGGTTKH-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCOC ZINC001279041248 828313758 /nfs/dbraw/zinc/31/37/58/828313758.db2.gz VFULXMZPGGTTKH-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CCOC ZINC001279041248 828313765 /nfs/dbraw/zinc/31/37/65/828313765.db2.gz VFULXMZPGGTTKH-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CCOC ZINC001279041248 828313774 /nfs/dbraw/zinc/31/37/74/828313774.db2.gz VFULXMZPGGTTKH-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC001343422904 889907586 /nfs/dbraw/zinc/90/75/86/889907586.db2.gz AQUQGMIRCXZHMX-VXGBXAGGSA-N 2 2 253.346 -0.565 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128972979 884669464 /nfs/dbraw/zinc/66/94/64/884669464.db2.gz PVRFTUFNPPYXCB-NSHDSACASA-N 2 2 291.355 -0.814 20 30 CBEDLP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001327602500 885426068 /nfs/dbraw/zinc/42/60/68/885426068.db2.gz DNBGLDLIHAPWKT-HNNXBMFYSA-N 2 2 290.367 -0.163 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001329107026 885932828 /nfs/dbraw/zinc/93/28/28/885932828.db2.gz PMRGAJSQIBJIGN-GMTAPVOTSA-N 2 2 259.313 -0.327 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001329693432 886176499 /nfs/dbraw/zinc/17/64/99/886176499.db2.gz PHCINELTSSLNOR-UHFFFAOYSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001332575526 887361113 /nfs/dbraw/zinc/36/11/13/887361113.db2.gz PWTXDJVBKAJEAM-YNEHKIRRSA-N 2 2 290.367 -0.434 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001338491322 889168399 /nfs/dbraw/zinc/16/83/99/889168399.db2.gz HIZXIZYHQSKSOH-QWHCGFSZSA-N 2 2 266.389 -0.650 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001338491322 889168405 /nfs/dbraw/zinc/16/84/05/889168405.db2.gz HIZXIZYHQSKSOH-QWHCGFSZSA-N 2 2 266.389 -0.650 20 30 CBEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC001340931731 889516512 /nfs/dbraw/zinc/51/65/12/889516512.db2.gz UDWSHXJQXSZLAQ-LBPRGKRZSA-N 2 2 255.362 -0.194 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC001341891744 889678261 /nfs/dbraw/zinc/67/82/61/889678261.db2.gz AMZXPCPXJCCXPK-UHFFFAOYSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001343421855 889905422 /nfs/dbraw/zinc/90/54/22/889905422.db2.gz SCDKUYXODRJTCW-STQMWFEESA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001343422902 889906496 /nfs/dbraw/zinc/90/64/96/889906496.db2.gz AQUQGMIRCXZHMX-RYUDHWBXSA-N 2 2 253.346 -0.565 20 30 CBEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001348958167 890738613 /nfs/dbraw/zinc/73/86/13/890738613.db2.gz PGJZLUBYJOZPDT-INIZCTEOSA-N 3 2 296.459 -0.165 20 30 CBEDLP CC[C@H](CC#N)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001353247309 891386714 /nfs/dbraw/zinc/38/67/14/891386714.db2.gz OMWNKTSJFAISFM-CHWSQXEVSA-N 2 2 254.378 -0.123 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N[C@H](CO)c2c[nH+]cn2C)CC1 ZINC001354093722 891513225 /nfs/dbraw/zinc/51/32/25/891513225.db2.gz XRAPGGKYAXYRSV-CYBMUJFWSA-N 2 2 290.367 -0.085 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001374586293 897284738 /nfs/dbraw/zinc/28/47/38/897284738.db2.gz GUNIVTCXIIFGSL-GHMZBOCLSA-N 2 2 291.779 -0.864 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001374586293 897284752 /nfs/dbraw/zinc/28/47/52/897284752.db2.gz GUNIVTCXIIFGSL-GHMZBOCLSA-N 2 2 291.779 -0.864 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001439045223 911071201 /nfs/dbraw/zinc/07/12/01/911071201.db2.gz HNPOWPFREWJHSD-NSHDSACASA-N 2 2 286.763 -0.218 20 30 CBEDLP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001507236725 921770939 /nfs/dbraw/zinc/77/09/39/921770939.db2.gz CTYNLBHTTLGBOV-IJLUTSLNSA-N 2 2 278.356 -0.224 20 30 CBEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001507246376 921780498 /nfs/dbraw/zinc/78/04/98/921780498.db2.gz JMOOBADLXKECFB-DGCLKSJQSA-N 2 2 278.356 -0.322 20 30 CBEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001507246376 921780506 /nfs/dbraw/zinc/78/05/06/921780506.db2.gz JMOOBADLXKECFB-DGCLKSJQSA-N 2 2 278.356 -0.322 20 30 CBEDLP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001479909856 916213241 /nfs/dbraw/zinc/21/32/41/916213241.db2.gz VHIFUJWQGIDSIF-GFCCVEGCSA-N 2 2 295.387 -0.842 20 30 CBEDLP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001479909856 916213255 /nfs/dbraw/zinc/21/32/55/916213255.db2.gz VHIFUJWQGIDSIF-GFCCVEGCSA-N 2 2 295.387 -0.842 20 30 CBEDLP CC(C)[C@H](C(=O)NCC[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001480938296 916644297 /nfs/dbraw/zinc/64/42/97/916644297.db2.gz FCLSZJYFZFDYGJ-CYBMUJFWSA-N 2 2 297.403 -0.740 20 30 CBEDLP CC(C)[C@H](C(=O)NCC[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001480938296 916644308 /nfs/dbraw/zinc/64/43/08/916644308.db2.gz FCLSZJYFZFDYGJ-CYBMUJFWSA-N 2 2 297.403 -0.740 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001482744039 917248183 /nfs/dbraw/zinc/24/81/83/917248183.db2.gz OPABSLLWIUSCKQ-DGCLKSJQSA-N 2 2 278.356 -0.302 20 30 CBEDLP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001482905853 917330300 /nfs/dbraw/zinc/33/03/00/917330300.db2.gz PYADTWWAOPBTJZ-GFCCVEGCSA-N 2 2 291.355 -0.883 20 30 CBEDLP COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001483694399 917641026 /nfs/dbraw/zinc/64/10/26/917641026.db2.gz LYKQLMSQMGBPLK-AWEZNQCLSA-N 2 2 291.395 -0.078 20 30 CBEDLP COCC#CC[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001483694399 917641036 /nfs/dbraw/zinc/64/10/36/917641036.db2.gz LYKQLMSQMGBPLK-AWEZNQCLSA-N 2 2 291.395 -0.078 20 30 CBEDLP COCC#CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001483783309 917680521 /nfs/dbraw/zinc/68/05/21/917680521.db2.gz LFWAYMKDYXEFBH-UHFFFAOYSA-N 2 2 290.367 -0.149 20 30 CBEDLP C=CC[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001484246329 917785547 /nfs/dbraw/zinc/78/55/47/917785547.db2.gz IXNHYVBNFWTIFP-AWEZNQCLSA-N 2 2 278.356 -0.298 20 30 CBEDLP C=CC[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001484246329 917785563 /nfs/dbraw/zinc/78/55/63/917785563.db2.gz IXNHYVBNFWTIFP-AWEZNQCLSA-N 2 2 278.356 -0.298 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485234709 918038282 /nfs/dbraw/zinc/03/82/82/918038282.db2.gz NJEIMPUTQCCQQK-RYUDHWBXSA-N 2 2 293.371 -0.332 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001485422365 918117675 /nfs/dbraw/zinc/11/76/75/918117675.db2.gz OGMDIJNPPCFONQ-UHFFFAOYSA-N 2 2 291.395 -0.342 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001486313697 918424064 /nfs/dbraw/zinc/42/40/64/918424064.db2.gz FLEIPPFUFXAUPS-NSHDSACASA-N 2 2 266.345 -0.144 20 30 CBEDLP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001486352076 918444252 /nfs/dbraw/zinc/44/42/52/918444252.db2.gz YMMQXPPHVNZGJK-GFCCVEGCSA-N 2 2 266.345 -0.111 20 30 CBEDLP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001486352076 918444261 /nfs/dbraw/zinc/44/42/61/918444261.db2.gz YMMQXPPHVNZGJK-GFCCVEGCSA-N 2 2 266.345 -0.111 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001494591501 919746908 /nfs/dbraw/zinc/74/69/08/919746908.db2.gz SKRPVCGNFLSWES-UHFFFAOYSA-N 2 2 282.388 -0.712 20 30 CBEDLP CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001497062798 920235736 /nfs/dbraw/zinc/23/57/36/920235736.db2.gz FVJUFENPDNRNSK-QWHCGFSZSA-N 2 2 278.356 -0.076 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001500969214 920930245 /nfs/dbraw/zinc/93/02/45/920930245.db2.gz HBCYSMDUJCROQG-UHFFFAOYSA-N 2 2 267.373 -0.486 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001500969214 920930262 /nfs/dbraw/zinc/93/02/62/920930262.db2.gz HBCYSMDUJCROQG-UHFFFAOYSA-N 2 2 267.373 -0.486 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC001521940027 922389759 /nfs/dbraw/zinc/38/97/59/922389759.db2.gz QMTVFUFYJUFNKL-NEPJUHHUSA-N 2 2 253.346 -0.565 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC001521940027 922389775 /nfs/dbraw/zinc/38/97/75/922389775.db2.gz QMTVFUFYJUFNKL-NEPJUHHUSA-N 2 2 253.346 -0.565 20 30 CBEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCC#N ZINC000441191351 282215135 /nfs/dbraw/zinc/21/51/35/282215135.db2.gz VQQARNBCQJEGGL-UPJWGTAASA-N 2 2 280.372 -0.190 20 30 CBEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCC#N ZINC000441191351 282215138 /nfs/dbraw/zinc/21/51/38/282215138.db2.gz VQQARNBCQJEGGL-UPJWGTAASA-N 2 2 280.372 -0.190 20 30 CBEDLP N#CCCN(CC[NH+]1CCOCC1)CC[NH+]1CCOCC1 ZINC000078687112 351686990 /nfs/dbraw/zinc/68/69/90/351686990.db2.gz HSPANZVRAFILIQ-UHFFFAOYSA-N 2 2 296.415 -0.134 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)C(C)C)CC1 ZINC000085860713 351719624 /nfs/dbraw/zinc/71/96/24/351719624.db2.gz WMCBAHWKVMOZGZ-UHFFFAOYSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)C(C)C)CC1 ZINC000085860713 351719631 /nfs/dbraw/zinc/71/96/31/351719631.db2.gz WMCBAHWKVMOZGZ-UHFFFAOYSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)CC1 ZINC000089928529 351735292 /nfs/dbraw/zinc/73/52/92/351735292.db2.gz FQJVAKUERXFHCI-HUUCEWRRSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)CC1 ZINC000089928529 351735294 /nfs/dbraw/zinc/73/52/94/351735294.db2.gz FQJVAKUERXFHCI-HUUCEWRRSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCOCC)CC1 ZINC000093311723 351759284 /nfs/dbraw/zinc/75/92/84/351759284.db2.gz YPBQXHFCPVSZDQ-UHFFFAOYSA-N 2 2 267.373 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCOCC)CC1 ZINC000093311723 351759285 /nfs/dbraw/zinc/75/92/85/351759285.db2.gz YPBQXHFCPVSZDQ-UHFFFAOYSA-N 2 2 267.373 -0.268 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124559507 351855789 /nfs/dbraw/zinc/85/57/89/351855789.db2.gz NVTGKVFJFWLTEU-VHSXEESVSA-N 2 2 254.334 -0.190 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124559507 351855792 /nfs/dbraw/zinc/85/57/92/351855792.db2.gz NVTGKVFJFWLTEU-VHSXEESVSA-N 2 2 254.334 -0.190 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000303104556 352744166 /nfs/dbraw/zinc/74/41/66/352744166.db2.gz BLEIHTHTZWLKKL-UHFFFAOYSA-N 2 2 279.384 -0.532 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000305337131 352748302 /nfs/dbraw/zinc/74/83/02/352748302.db2.gz ODJSUACIRJMPRQ-GJZGRUSLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000305337131 352748305 /nfs/dbraw/zinc/74/83/05/352748305.db2.gz ODJSUACIRJMPRQ-GJZGRUSLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2CCC[C@H]2O)CC1 ZINC000305337133 352748460 /nfs/dbraw/zinc/74/84/60/352748460.db2.gz ODJSUACIRJMPRQ-HUUCEWRRSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2CCC[C@H]2O)CC1 ZINC000305337133 352748461 /nfs/dbraw/zinc/74/84/61/352748461.db2.gz ODJSUACIRJMPRQ-HUUCEWRRSA-N 2 2 293.411 -0.143 20 30 CBEDLP O[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](O)C2)C1 ZINC000341836226 353217443 /nfs/dbraw/zinc/21/74/43/353217443.db2.gz PZBYDECJPIGSDD-OKILXGFUSA-N 2 2 252.358 -0.097 20 30 CBEDLP O[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](O)C2)C1 ZINC000341836226 353217445 /nfs/dbraw/zinc/21/74/45/353217445.db2.gz PZBYDECJPIGSDD-OKILXGFUSA-N 2 2 252.358 -0.097 20 30 CBEDLP O[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](O)C2)C1 ZINC000341836226 353217449 /nfs/dbraw/zinc/21/74/49/353217449.db2.gz PZBYDECJPIGSDD-OKILXGFUSA-N 2 2 252.358 -0.097 20 30 CBEDLP O[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](O)C2)C1 ZINC000341836226 353217451 /nfs/dbraw/zinc/21/74/51/353217451.db2.gz PZBYDECJPIGSDD-OKILXGFUSA-N 2 2 252.358 -0.097 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362830453 353668574 /nfs/dbraw/zinc/66/85/74/353668574.db2.gz KRWPWOJHVZOBSR-LBPRGKRZSA-N 2 2 280.372 -0.815 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362830453 353668577 /nfs/dbraw/zinc/66/85/77/353668577.db2.gz KRWPWOJHVZOBSR-LBPRGKRZSA-N 2 2 280.372 -0.815 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430936808 354251505 /nfs/dbraw/zinc/25/15/05/354251505.db2.gz XCAXKELYBLDVLH-GHMZBOCLSA-N 2 2 268.361 -0.072 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430936808 354251508 /nfs/dbraw/zinc/25/15/08/354251508.db2.gz XCAXKELYBLDVLH-GHMZBOCLSA-N 2 2 268.361 -0.072 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000490778466 354446677 /nfs/dbraw/zinc/44/66/77/354446677.db2.gz GBCSGXAHAFKZLG-AWEZNQCLSA-N 2 2 289.383 -0.361 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)O)CC1 ZINC000490780699 354446978 /nfs/dbraw/zinc/44/69/78/354446978.db2.gz PJGSATHHISOONX-UHFFFAOYSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)O)CC1 ZINC000490780699 354446982 /nfs/dbraw/zinc/44/69/82/354446982.db2.gz PJGSATHHISOONX-UHFFFAOYSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000491326816 354454115 /nfs/dbraw/zinc/45/41/15/354454115.db2.gz QMPOZIFUJPZYBG-CQSZACIVSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000491326816 354454120 /nfs/dbraw/zinc/45/41/20/354454120.db2.gz QMPOZIFUJPZYBG-CQSZACIVSA-N 2 2 296.415 -0.039 20 30 CBEDLP C=CC[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569927937 354849374 /nfs/dbraw/zinc/84/93/74/354849374.db2.gz RDCRKSYYWMAXPJ-XJFOESAGSA-N 2 2 272.389 -0.017 20 30 CBEDLP C=CC[C@H](CO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569927937 354849379 /nfs/dbraw/zinc/84/93/79/354849379.db2.gz RDCRKSYYWMAXPJ-XJFOESAGSA-N 2 2 272.389 -0.017 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000593737181 355217688 /nfs/dbraw/zinc/21/76/88/355217688.db2.gz SBUCEFGJXFIMIK-QJPTWQEYSA-N 2 2 298.387 -0.318 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000593737181 355217691 /nfs/dbraw/zinc/21/76/91/355217691.db2.gz SBUCEFGJXFIMIK-QJPTWQEYSA-N 2 2 298.387 -0.318 20 30 CBEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594874181 355265850 /nfs/dbraw/zinc/26/58/50/355265850.db2.gz MJZUBNJMKCQWBU-OLZOCXBDSA-N 2 2 292.383 -0.569 20 30 CBEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594874181 355265852 /nfs/dbraw/zinc/26/58/52/355265852.db2.gz MJZUBNJMKCQWBU-OLZOCXBDSA-N 2 2 292.383 -0.569 20 30 CBEDLP C=C(C)C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000602600135 355664858 /nfs/dbraw/zinc/66/48/58/355664858.db2.gz MHWZIOQOYIZVFL-QWRGUYRKSA-N 2 2 271.361 -0.111 20 30 CBEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603833609 355720266 /nfs/dbraw/zinc/72/02/66/355720266.db2.gz XRGPQYRHUAVGOZ-UTUOFQBUSA-N 2 2 250.346 -0.102 20 30 CBEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603833609 355720268 /nfs/dbraw/zinc/72/02/68/355720268.db2.gz XRGPQYRHUAVGOZ-UTUOFQBUSA-N 2 2 250.346 -0.102 20 30 CBEDLP C=C(C)[C@H](CO)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051150 357632335 /nfs/dbraw/zinc/63/23/35/357632335.db2.gz JILHIUMBAVGRLL-LBPRGKRZSA-N 2 2 255.362 -0.371 20 30 CBEDLP C=C(C)[C@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051150 357632338 /nfs/dbraw/zinc/63/23/38/357632338.db2.gz JILHIUMBAVGRLL-LBPRGKRZSA-N 2 2 255.362 -0.371 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000178786595 220223123 /nfs/dbraw/zinc/22/31/23/220223123.db2.gz LJZABNUKODMADC-OAHLLOKOSA-N 2 2 290.411 -0.552 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261587835 220244527 /nfs/dbraw/zinc/24/45/27/220244527.db2.gz JSXTWWPEROWBHO-GHMZBOCLSA-N 2 2 266.345 -0.461 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261587835 220244528 /nfs/dbraw/zinc/24/45/28/220244528.db2.gz JSXTWWPEROWBHO-GHMZBOCLSA-N 2 2 266.345 -0.461 20 30 CBEDLP C=CCn1cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nn1 ZINC000644199996 374501615 /nfs/dbraw/zinc/50/16/15/374501615.db2.gz BPCWZFJMVXEAPP-LBPRGKRZSA-N 2 2 293.375 -0.752 20 30 CBEDLP C=CCn1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nn1 ZINC000644199996 374501618 /nfs/dbraw/zinc/50/16/18/374501618.db2.gz BPCWZFJMVXEAPP-LBPRGKRZSA-N 2 2 293.375 -0.752 20 30 CBEDLP C[C@@H]1CN(C(=[NH2+])NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000263189592 220260943 /nfs/dbraw/zinc/26/09/43/220260943.db2.gz VLVRXUBDIYTZML-UPJWGTAASA-N 2 2 282.388 -0.115 20 30 CBEDLP C[C@@H]1CN(C(=[NH2+])NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000263189592 220260946 /nfs/dbraw/zinc/26/09/46/220260946.db2.gz VLVRXUBDIYTZML-UPJWGTAASA-N 2 2 282.388 -0.115 20 30 CBEDLP C#CCNC(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000293717636 220315231 /nfs/dbraw/zinc/31/52/31/220315231.db2.gz FIGZPBHZKGPHQL-UHFFFAOYSA-N 2 2 275.356 -0.318 20 30 CBEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000329383601 544533195 /nfs/dbraw/zinc/53/31/95/544533195.db2.gz RFAYSMUYYGIVBC-CYBMUJFWSA-N 2 2 299.419 -0.932 20 30 CBEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000329383601 544533202 /nfs/dbraw/zinc/53/32/02/544533202.db2.gz RFAYSMUYYGIVBC-CYBMUJFWSA-N 2 2 299.419 -0.932 20 30 CBEDLP COC[C@H](C)NC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000267392714 274047700 /nfs/dbraw/zinc/04/77/00/274047700.db2.gz DHEAIRRCCGXPSC-VIFPVBQESA-N 2 2 268.365 -0.075 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)CC1 ZINC000490718734 332108402 /nfs/dbraw/zinc/10/84/02/332108402.db2.gz JTRBEAYDISCQSR-KGLIPLIRSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)CC1 ZINC000490718734 332108404 /nfs/dbraw/zinc/10/84/04/332108404.db2.gz JTRBEAYDISCQSR-KGLIPLIRSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H](C)C(=O)OC)CC1 ZINC000490739813 332110698 /nfs/dbraw/zinc/11/06/98/332110698.db2.gz GYSWBNYNPXRDTM-ZDUSSCGKSA-N 2 2 295.383 -0.495 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H](C)C(=O)OC)CC1 ZINC000490739813 332110700 /nfs/dbraw/zinc/11/07/00/332110700.db2.gz GYSWBNYNPXRDTM-ZDUSSCGKSA-N 2 2 295.383 -0.495 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCCO)CC1 ZINC000490742381 332112268 /nfs/dbraw/zinc/11/22/68/332112268.db2.gz ZRRBOJDSSJRYLW-UHFFFAOYSA-N 2 2 267.373 -0.532 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCCO)CC1 ZINC000490742381 332112269 /nfs/dbraw/zinc/11/22/69/332112269.db2.gz ZRRBOJDSSJRYLW-UHFFFAOYSA-N 2 2 267.373 -0.532 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)C(=O)N(C)C)CC1 ZINC000490866913 332121516 /nfs/dbraw/zinc/12/15/16/332121516.db2.gz XFPOKKQTOIUVKI-UHFFFAOYSA-N 2 2 294.399 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)CC2(C)C)CC1 ZINC000490898672 332127181 /nfs/dbraw/zinc/12/71/81/332127181.db2.gz LOCXOOBFNKFCKX-UHFFFAOYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)CC2(C)C)CC1 ZINC000490898672 332127183 /nfs/dbraw/zinc/12/71/83/332127183.db2.gz LOCXOOBFNKFCKX-UHFFFAOYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000491165028 332159368 /nfs/dbraw/zinc/15/93/68/332159368.db2.gz HWXCWIMAWGWNJH-HNNXBMFYSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000491165028 332159369 /nfs/dbraw/zinc/15/93/69/332159369.db2.gz HWXCWIMAWGWNJH-HNNXBMFYSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000491486680 332221258 /nfs/dbraw/zinc/22/12/58/332221258.db2.gz XRISPRYYKOEQRA-ZDUSSCGKSA-N 2 2 267.373 -0.438 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000491486680 332221259 /nfs/dbraw/zinc/22/12/59/332221259.db2.gz XRISPRYYKOEQRA-ZDUSSCGKSA-N 2 2 267.373 -0.438 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000491486679 332221263 /nfs/dbraw/zinc/22/12/63/332221263.db2.gz XRISPRYYKOEQRA-CYBMUJFWSA-N 2 2 267.373 -0.438 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000491486679 332221264 /nfs/dbraw/zinc/22/12/64/332221264.db2.gz XRISPRYYKOEQRA-CYBMUJFWSA-N 2 2 267.373 -0.438 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000491624044 332248479 /nfs/dbraw/zinc/24/84/79/332248479.db2.gz IUUWKASOQGACDK-ZDUSSCGKSA-N 2 2 267.373 -0.174 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000491624044 332248480 /nfs/dbraw/zinc/24/84/80/332248480.db2.gz IUUWKASOQGACDK-ZDUSSCGKSA-N 2 2 267.373 -0.174 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000491634111 332255642 /nfs/dbraw/zinc/25/56/42/332255642.db2.gz JITAMRYZWBOJEQ-OAHLLOKOSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000491634111 332255644 /nfs/dbraw/zinc/25/56/44/332255644.db2.gz JITAMRYZWBOJEQ-OAHLLOKOSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CCNC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000491657820 332269008 /nfs/dbraw/zinc/26/90/08/332269008.db2.gz KUOZNTMJYJJLHO-HNNXBMFYSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CCNC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000491657820 332269009 /nfs/dbraw/zinc/26/90/09/332269009.db2.gz KUOZNTMJYJJLHO-HNNXBMFYSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CCN1C(=O)C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000491680965 332284369 /nfs/dbraw/zinc/28/43/69/332284369.db2.gz KVAZHTCSRWGROZ-NEPJUHHUSA-N 2 2 263.341 -0.322 20 30 CBEDLP C#CCN1C(=O)C[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000491680965 332284370 /nfs/dbraw/zinc/28/43/70/332284370.db2.gz KVAZHTCSRWGROZ-NEPJUHHUSA-N 2 2 263.341 -0.322 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000491734150 332314994 /nfs/dbraw/zinc/31/49/94/332314994.db2.gz SJMOZYDRZXSUIY-CYBMUJFWSA-N 2 2 267.373 -0.438 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000491734150 332314995 /nfs/dbraw/zinc/31/49/95/332314995.db2.gz SJMOZYDRZXSUIY-CYBMUJFWSA-N 2 2 267.373 -0.438 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)[C@H]2C[C@H]2C)CC1 ZINC000491737990 332317801 /nfs/dbraw/zinc/31/78/01/332317801.db2.gz MGBKLJWRQMYVRF-NEPJUHHUSA-N 2 2 278.356 -0.082 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)[C@@H]2C[C@@H]2C)CC1 ZINC000491737996 332317805 /nfs/dbraw/zinc/31/78/05/332317805.db2.gz MGBKLJWRQMYVRF-NWDGAFQWSA-N 2 2 278.356 -0.082 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000491765315 332333936 /nfs/dbraw/zinc/33/39/36/332333936.db2.gz FAXRRQVBAYAUQQ-CYBMUJFWSA-N 2 2 267.373 -0.316 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(C)CCO[C@@H]2C)CC1 ZINC000491787334 332349895 /nfs/dbraw/zinc/34/98/95/332349895.db2.gz WHGKFOISXLJMQD-UKRRQHHQSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC(C)(C)O)C2CC2)CC1 ZINC000491793757 332353837 /nfs/dbraw/zinc/35/38/37/332353837.db2.gz MZMHHBABGRJVBM-UHFFFAOYSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC(C)(C)O)C2CC2)CC1 ZINC000491793757 332353838 /nfs/dbraw/zinc/35/38/38/332353838.db2.gz MZMHHBABGRJVBM-UHFFFAOYSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@@H](CO)CCC[C@@H]2C)CC1 ZINC000305819515 333000144 /nfs/dbraw/zinc/00/01/44/333000144.db2.gz AYGBLSJSMVXNKA-LSDHHAIUSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@@H](CO)CCC[C@@H]2C)CC1 ZINC000305819515 333000147 /nfs/dbraw/zinc/00/01/47/333000147.db2.gz AYGBLSJSMVXNKA-LSDHHAIUSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000733163221 582161861 /nfs/dbraw/zinc/16/18/61/582161861.db2.gz HIIUSICYIRJREB-UHFFFAOYSA-N 2 2 265.357 -0.514 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000749546191 582289910 /nfs/dbraw/zinc/28/99/10/582289910.db2.gz MMDBPFFCIHLINR-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000749546191 582289911 /nfs/dbraw/zinc/28/99/11/582289911.db2.gz MMDBPFFCIHLINR-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000752479393 582295078 /nfs/dbraw/zinc/29/50/78/582295078.db2.gz OXJQYGKGCQBIFC-GXTWGEPZSA-N 2 2 267.373 -0.487 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000752479393 582295079 /nfs/dbraw/zinc/29/50/79/582295079.db2.gz OXJQYGKGCQBIFC-GXTWGEPZSA-N 2 2 267.373 -0.487 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000770337470 582338351 /nfs/dbraw/zinc/33/83/51/582338351.db2.gz NRDYCWXGOYVLIB-MELADBBJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000770337470 582338352 /nfs/dbraw/zinc/33/83/52/582338352.db2.gz NRDYCWXGOYVLIB-MELADBBJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000770337470 582338353 /nfs/dbraw/zinc/33/83/53/582338353.db2.gz NRDYCWXGOYVLIB-MELADBBJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000770337470 582338354 /nfs/dbraw/zinc/33/83/54/582338354.db2.gz NRDYCWXGOYVLIB-MELADBBJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[NH+]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000776595335 582355619 /nfs/dbraw/zinc/35/56/19/582355619.db2.gz JVOMOACRQJEQFN-HNNXBMFYSA-N 2 2 281.400 -0.680 20 30 CBEDLP Cn1cc(C=[NH+]NCCC[NH+]2CCOCC2)c(=O)[nH]1 ZINC000814230395 582456211 /nfs/dbraw/zinc/45/62/11/582456211.db2.gz PLTOAAMIGWQBJE-UHFFFAOYSA-N 2 2 267.333 -0.229 20 30 CBEDLP N#CC[C@@]1(O)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000829974913 582911420 /nfs/dbraw/zinc/91/14/20/582911420.db2.gz MCKNKZQEJTYPDJ-CHWSQXEVSA-N 2 2 253.346 -0.206 20 30 CBEDLP N#CC[C@@]1(O)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000829974913 582911421 /nfs/dbraw/zinc/91/14/21/582911421.db2.gz MCKNKZQEJTYPDJ-CHWSQXEVSA-N 2 2 253.346 -0.206 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000844294313 583265768 /nfs/dbraw/zinc/26/57/68/583265768.db2.gz VBEMJZBAEAEAJE-CQSZACIVSA-N 2 2 278.400 -0.552 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000844294313 583265772 /nfs/dbraw/zinc/26/57/72/583265772.db2.gz VBEMJZBAEAEAJE-CQSZACIVSA-N 2 2 278.400 -0.552 20 30 CBEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CCOC)[C@@H]1CCCO1 ZINC000846860242 583389865 /nfs/dbraw/zinc/38/98/65/583389865.db2.gz JFQHHPRHBCNRKE-IHRRRGAJSA-N 2 2 270.373 -0.304 20 30 CBEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@H+](C)CCOC)[C@@H]1CCCO1 ZINC000846860242 583389867 /nfs/dbraw/zinc/38/98/67/583389867.db2.gz JFQHHPRHBCNRKE-IHRRRGAJSA-N 2 2 270.373 -0.304 20 30 CBEDLP C#CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000851813058 583527682 /nfs/dbraw/zinc/52/76/82/583527682.db2.gz OWCHKYBUPGLRRM-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000851813058 583527684 /nfs/dbraw/zinc/52/76/84/583527684.db2.gz OWCHKYBUPGLRRM-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)CC1 ZINC000852701119 583550815 /nfs/dbraw/zinc/55/08/15/583550815.db2.gz MMVBCOPJSQQRTF-GDBMZVCRSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)CC1 ZINC000852701119 583550816 /nfs/dbraw/zinc/55/08/16/583550816.db2.gz MMVBCOPJSQQRTF-GDBMZVCRSA-N 2 2 293.411 -0.286 20 30 CBEDLP C[C@H]1COCC[N@@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852865422 583564168 /nfs/dbraw/zinc/56/41/68/583564168.db2.gz BWCGLJHDTUTMKG-ZDUSSCGKSA-N 2 2 279.384 -0.174 20 30 CBEDLP C[C@H]1COCC[N@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852865422 583564169 /nfs/dbraw/zinc/56/41/69/583564169.db2.gz BWCGLJHDTUTMKG-ZDUSSCGKSA-N 2 2 279.384 -0.174 20 30 CBEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852902903 583572670 /nfs/dbraw/zinc/57/26/70/583572670.db2.gz PXEKOJXXEZNYAI-UHFFFAOYSA-N 3 2 294.443 -0.011 20 30 CBEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852902903 583572673 /nfs/dbraw/zinc/57/26/73/583572673.db2.gz PXEKOJXXEZNYAI-UHFFFAOYSA-N 3 2 294.443 -0.011 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H](CO)C2)CC1 ZINC000856792042 583660785 /nfs/dbraw/zinc/66/07/85/583660785.db2.gz XMGONFBWXQEUFM-CABCVRRESA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)CC1 ZINC000856792042 583660787 /nfs/dbraw/zinc/66/07/87/583660787.db2.gz XMGONFBWXQEUFM-CABCVRRESA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000858493211 583696362 /nfs/dbraw/zinc/69/63/62/583696362.db2.gz MFYRTMJHJIJJDP-ZDUSSCGKSA-N 2 2 282.388 -0.429 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000858493211 583696363 /nfs/dbraw/zinc/69/63/63/583696363.db2.gz MFYRTMJHJIJJDP-ZDUSSCGKSA-N 2 2 282.388 -0.429 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000858493211 583696364 /nfs/dbraw/zinc/69/63/64/583696364.db2.gz MFYRTMJHJIJJDP-ZDUSSCGKSA-N 2 2 282.388 -0.429 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000858493211 583696365 /nfs/dbraw/zinc/69/63/65/583696365.db2.gz MFYRTMJHJIJJDP-ZDUSSCGKSA-N 2 2 282.388 -0.429 20 30 CBEDLP C#CCNC(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000859353340 583715413 /nfs/dbraw/zinc/71/54/13/583715413.db2.gz BCFHLYLQOISKNG-UHFFFAOYSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1 ZINC000860129510 583738971 /nfs/dbraw/zinc/73/89/71/583738971.db2.gz SWGVUZZARREXEV-SQWLQELKSA-N 2 2 291.395 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)CC1 ZINC000860129510 583738973 /nfs/dbraw/zinc/73/89/73/583738973.db2.gz SWGVUZZARREXEV-SQWLQELKSA-N 2 2 291.395 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000879684344 584244890 /nfs/dbraw/zinc/24/48/90/584244890.db2.gz IQOBJCGDPJUWNX-ZDUSSCGKSA-N 2 2 289.383 -0.152 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000884008886 584355339 /nfs/dbraw/zinc/35/53/39/584355339.db2.gz DZMCKHFEDSVCMA-ZJUUUORDSA-N 2 2 255.318 -0.747 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000884008885 584355369 /nfs/dbraw/zinc/35/53/69/584355369.db2.gz DZMCKHFEDSVCMA-UWVGGRQHSA-N 2 2 255.318 -0.747 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C[NH3+])CC1 ZINC000884012125 584355685 /nfs/dbraw/zinc/35/56/85/584355685.db2.gz ZYYWGDBBEZGJNW-NSHDSACASA-N 2 2 269.345 -0.370 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000884023923 584356136 /nfs/dbraw/zinc/35/61/36/584356136.db2.gz BYZFVLZIDUDSDZ-UWVGGRQHSA-N 2 2 255.318 -0.699 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000884197727 584365582 /nfs/dbraw/zinc/36/55/82/584365582.db2.gz CPUDTWVXZXRRDR-QWRGUYRKSA-N 2 2 269.345 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000884197727 584365584 /nfs/dbraw/zinc/36/55/84/584365584.db2.gz CPUDTWVXZXRRDR-QWRGUYRKSA-N 2 2 269.345 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@@H+](C)C1CC1 ZINC000884201197 584366158 /nfs/dbraw/zinc/36/61/58/584366158.db2.gz SGDRVWQEKHVTII-NSHDSACASA-N 2 2 269.345 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@H+](C)C1CC1 ZINC000884201197 584366159 /nfs/dbraw/zinc/36/61/59/584366159.db2.gz SGDRVWQEKHVTII-NSHDSACASA-N 2 2 269.345 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000884270872 584371200 /nfs/dbraw/zinc/37/12/00/584371200.db2.gz TUGWUPNOKLXIKV-OUAUKWLOSA-N 2 2 269.345 -0.453 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000884286243 584372315 /nfs/dbraw/zinc/37/23/15/584372315.db2.gz AFWNJDHAGSGYCL-SRRSOLGSSA-N 2 2 283.372 -0.064 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000884299469 584372761 /nfs/dbraw/zinc/37/27/61/584372761.db2.gz UYYKVVDTROSGPC-DTWKUNHWSA-N 2 2 291.298 -0.454 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000884309938 584373424 /nfs/dbraw/zinc/37/34/24/584373424.db2.gz KAKOSPNFWVLWRT-RYUDHWBXSA-N 2 2 283.372 -0.014 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000884390532 584378324 /nfs/dbraw/zinc/37/83/24/584378324.db2.gz YLIKFRMQJGLVMI-TUAOUCFPSA-N 2 2 283.372 -0.111 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000884442994 584382047 /nfs/dbraw/zinc/38/20/47/584382047.db2.gz WZZFZMXNOGZAPF-TUKIKUTGSA-N 2 2 295.383 -0.109 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000884460654 584383016 /nfs/dbraw/zinc/38/30/16/584383016.db2.gz HIFVNSHZFBKXCS-CVZZAPKMSA-N 2 2 281.356 -0.085 20 30 CBEDLP C#CC1(O)CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000893865011 584648003 /nfs/dbraw/zinc/64/80/03/584648003.db2.gz DQGZUSMCYWMHCW-UHFFFAOYSA-N 2 2 294.399 -0.598 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900474662 584806583 /nfs/dbraw/zinc/80/65/83/584806583.db2.gz UIVVUAOHWLHVLB-DZGCQCFKSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900474662 584806585 /nfs/dbraw/zinc/80/65/85/584806585.db2.gz UIVVUAOHWLHVLB-DZGCQCFKSA-N 2 2 279.384 -0.391 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900812330 584828803 /nfs/dbraw/zinc/82/88/03/584828803.db2.gz VDZWFWZQSHIHSP-CHWSQXEVSA-N 2 2 268.405 -0.145 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900812330 584828805 /nfs/dbraw/zinc/82/88/05/584828805.db2.gz VDZWFWZQSHIHSP-CHWSQXEVSA-N 2 2 268.405 -0.145 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903465228 584891011 /nfs/dbraw/zinc/89/10/11/584891011.db2.gz FSKQCVCKJWRKAN-SNVBAGLBSA-N 2 2 266.345 -0.128 20 30 CBEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971271781 613093077 /nfs/dbraw/zinc/09/30/77/613093077.db2.gz QCYICMXICAZVLK-QWHCGFSZSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000971271781 613093078 /nfs/dbraw/zinc/09/30/78/613093078.db2.gz QCYICMXICAZVLK-QWHCGFSZSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000971271781 613093079 /nfs/dbraw/zinc/09/30/79/613093079.db2.gz QCYICMXICAZVLK-QWHCGFSZSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000971271781 613093080 /nfs/dbraw/zinc/09/30/80/613093080.db2.gz QCYICMXICAZVLK-QWHCGFSZSA-N 2 2 265.357 -0.517 20 30 CBEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCN(C(C)=O)CC1 ZINC000261709199 656126044 /nfs/dbraw/zinc/12/60/44/656126044.db2.gz MIDZXSCEGQGMDX-UHFFFAOYSA-N 2 2 267.377 -0.568 20 30 CBEDLP CNC(=[NH2+])NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000303254283 656138966 /nfs/dbraw/zinc/13/89/66/656138966.db2.gz DRHFRRZWKYNSFB-UHFFFAOYSA-N 2 2 290.371 -0.346 20 30 CBEDLP C#CC1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000708159997 656192072 /nfs/dbraw/zinc/19/20/72/656192072.db2.gz TZPWQIAHSAGYEP-ZDUSSCGKSA-N 2 2 252.358 -0.098 20 30 CBEDLP C#CC1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000708159997 656192074 /nfs/dbraw/zinc/19/20/74/656192074.db2.gz TZPWQIAHSAGYEP-ZDUSSCGKSA-N 2 2 252.358 -0.098 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909271764 656803762 /nfs/dbraw/zinc/80/37/62/656803762.db2.gz CDBMEDOGKVVXHX-AWEZNQCLSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000909271764 656803764 /nfs/dbraw/zinc/80/37/64/656803764.db2.gz CDBMEDOGKVVXHX-AWEZNQCLSA-N 2 2 279.384 -0.343 20 30 CBEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007008682 656986311 /nfs/dbraw/zinc/98/63/11/656986311.db2.gz IUWMSOGWNPYGRU-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007008682 656986325 /nfs/dbraw/zinc/98/63/25/656986325.db2.gz IUWMSOGWNPYGRU-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007008682 656986334 /nfs/dbraw/zinc/98/63/34/656986334.db2.gz IUWMSOGWNPYGRU-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007008682 656986346 /nfs/dbraw/zinc/98/63/46/656986346.db2.gz IUWMSOGWNPYGRU-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010426771 657185843 /nfs/dbraw/zinc/18/58/43/657185843.db2.gz JNOBVSZDYNGZHA-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010426771 657185847 /nfs/dbraw/zinc/18/58/47/657185847.db2.gz JNOBVSZDYNGZHA-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010426771 657185854 /nfs/dbraw/zinc/18/58/54/657185854.db2.gz JNOBVSZDYNGZHA-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010426771 657185859 /nfs/dbraw/zinc/18/58/59/657185859.db2.gz JNOBVSZDYNGZHA-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010437334 657187208 /nfs/dbraw/zinc/18/72/08/657187208.db2.gz WCGIZDCLEIKHTM-VXGBXAGGSA-N 2 2 253.346 -0.307 20 30 CBEDLP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010437334 657187213 /nfs/dbraw/zinc/18/72/13/657187213.db2.gz WCGIZDCLEIKHTM-VXGBXAGGSA-N 2 2 253.346 -0.307 20 30 CBEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010437334 657187219 /nfs/dbraw/zinc/18/72/19/657187219.db2.gz WCGIZDCLEIKHTM-VXGBXAGGSA-N 2 2 253.346 -0.307 20 30 CBEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010437334 657187225 /nfs/dbraw/zinc/18/72/25/657187225.db2.gz WCGIZDCLEIKHTM-VXGBXAGGSA-N 2 2 253.346 -0.307 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000912746661 657338407 /nfs/dbraw/zinc/33/84/07/657338407.db2.gz OVSKLUKRMPRDLK-AWEZNQCLSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000912746661 657338410 /nfs/dbraw/zinc/33/84/10/657338410.db2.gz OVSKLUKRMPRDLK-AWEZNQCLSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000916882904 657790091 /nfs/dbraw/zinc/79/00/91/657790091.db2.gz MFRWTHGZDUQOGQ-CQSZACIVSA-N 2 2 294.399 -0.286 20 30 CBEDLP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000916882904 657790102 /nfs/dbraw/zinc/79/01/02/657790102.db2.gz MFRWTHGZDUQOGQ-CQSZACIVSA-N 2 2 294.399 -0.286 20 30 CBEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001021075872 658148324 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294.399 -0.550 20 30 CBEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC#CCO)C2)CC1 ZINC000923781619 658495777 /nfs/dbraw/zinc/49/57/77/658495777.db2.gz WVCCLKJTPCEPBJ-CYBMUJFWSA-N 2 2 294.399 -0.550 20 30 CBEDLP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000928656415 659060659 /nfs/dbraw/zinc/06/06/59/659060659.db2.gz UDZVAFYIVPIZRB-ZDUSSCGKSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000928656415 659060662 /nfs/dbraw/zinc/06/06/62/659060662.db2.gz UDZVAFYIVPIZRB-ZDUSSCGKSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CCC(NC(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000928655097 659060934 /nfs/dbraw/zinc/06/09/34/659060934.db2.gz KKUNBTUFMVRREO-AWEZNQCLSA-N 2 2 292.427 -0.164 20 30 CBEDLP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076838840 805636271 /nfs/dbraw/zinc/63/62/71/805636271.db2.gz ODZWAGABYSHSFD-UPJWGTAASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076838840 805636275 /nfs/dbraw/zinc/63/62/75/805636275.db2.gz ODZWAGABYSHSFD-UPJWGTAASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838840 805636280 /nfs/dbraw/zinc/63/62/80/805636280.db2.gz ODZWAGABYSHSFD-UPJWGTAASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838840 805636286 /nfs/dbraw/zinc/63/62/86/805636286.db2.gz ODZWAGABYSHSFD-UPJWGTAASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076838839 805636886 /nfs/dbraw/zinc/63/68/86/805636886.db2.gz ODZWAGABYSHSFD-JHJVBQTASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076838839 805636889 /nfs/dbraw/zinc/63/68/89/805636889.db2.gz ODZWAGABYSHSFD-JHJVBQTASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838839 805636892 /nfs/dbraw/zinc/63/68/92/805636892.db2.gz ODZWAGABYSHSFD-JHJVBQTASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838839 805636898 /nfs/dbraw/zinc/63/68/98/805636898.db2.gz ODZWAGABYSHSFD-JHJVBQTASA-N 2 2 283.372 -0.946 20 30 CBEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000382395685 790526083 /nfs/dbraw/zinc/52/60/83/790526083.db2.gz ZLSCMWDRKNIWQV-UHFFFAOYSA-N 2 2 278.356 -0.871 20 30 CBEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000382395685 790526095 /nfs/dbraw/zinc/52/60/95/790526095.db2.gz ZLSCMWDRKNIWQV-UHFFFAOYSA-N 2 2 278.356 -0.871 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001076986181 805668168 /nfs/dbraw/zinc/66/81/68/805668168.db2.gz OEFBHAIBHBPGGV-HZSPNIEDSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076986181 805668172 /nfs/dbraw/zinc/66/81/72/805668172.db2.gz OEFBHAIBHBPGGV-HZSPNIEDSA-N 2 2 279.384 -0.346 20 30 CBEDLP 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ZINC001077679242 805767232 /nfs/dbraw/zinc/76/72/32/805767232.db2.gz LDPOUZYXYSHAKV-BFHYXJOUSA-N 2 2 279.384 -0.487 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675423 805768050 /nfs/dbraw/zinc/76/80/50/805768050.db2.gz NAOOXQNXCXAYMB-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675423 805768056 /nfs/dbraw/zinc/76/80/56/805768056.db2.gz NAOOXQNXCXAYMB-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077675423 805768063 /nfs/dbraw/zinc/76/80/63/805768063.db2.gz NAOOXQNXCXAYMB-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077675423 805768071 /nfs/dbraw/zinc/76/80/71/805768071.db2.gz NAOOXQNXCXAYMB-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179108 805853853 /nfs/dbraw/zinc/85/38/53/805853853.db2.gz 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C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039047793 801284191 /nfs/dbraw/zinc/28/41/91/801284191.db2.gz QSIABJVXVCBKTL-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039047793 801284192 /nfs/dbraw/zinc/28/41/92/801284192.db2.gz QSIABJVXVCBKTL-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039047793 801284196 /nfs/dbraw/zinc/28/41/96/801284196.db2.gz QSIABJVXVCBKTL-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039047793 801284199 /nfs/dbraw/zinc/28/41/99/801284199.db2.gz QSIABJVXVCBKTL-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046420921 801761713 /nfs/dbraw/zinc/76/17/13/801761713.db2.gz NTVJDKPNVMYHKO-UMVBOHGHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046420921 801761722 /nfs/dbraw/zinc/76/17/22/801761722.db2.gz NTVJDKPNVMYHKO-UMVBOHGHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046420921 801761728 /nfs/dbraw/zinc/76/17/28/801761728.db2.gz NTVJDKPNVMYHKO-UMVBOHGHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046420921 801761729 /nfs/dbraw/zinc/76/17/29/801761729.db2.gz NTVJDKPNVMYHKO-UMVBOHGHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047459652 801876096 /nfs/dbraw/zinc/87/60/96/801876096.db2.gz XANODQXIMSLHTG-STQMWFEESA-N 2 2 278.356 -0.119 20 30 CBEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047459652 801876131 /nfs/dbraw/zinc/87/61/31/801876131.db2.gz XANODQXIMSLHTG-STQMWFEESA-N 2 2 278.356 -0.119 20 30 CBEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001047529065 801895835 /nfs/dbraw/zinc/89/58/35/801895835.db2.gz OYSYKLPTTCCBSG-ILXRZTDVSA-N 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C#CC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049082986 801997209 /nfs/dbraw/zinc/99/72/09/801997209.db2.gz PLSOSGQJNDJNND-TXEJJXNPSA-N 2 2 258.325 -0.024 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001050007066 802049800 /nfs/dbraw/zinc/04/98/00/802049800.db2.gz XCUYIQJDAMFYQF-ZNMIVQPWSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001050007066 802049804 /nfs/dbraw/zinc/04/98/04/802049804.db2.gz XCUYIQJDAMFYQF-ZNMIVQPWSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050007066 802049810 /nfs/dbraw/zinc/04/98/10/802049810.db2.gz XCUYIQJDAMFYQF-ZNMIVQPWSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050007066 802049816 /nfs/dbraw/zinc/04/98/16/802049816.db2.gz XCUYIQJDAMFYQF-ZNMIVQPWSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149135116 814973046 /nfs/dbraw/zinc/97/30/46/814973046.db2.gz QVECNGMXUFZLSH-LLVKDONJSA-N 2 2 291.355 -0.896 20 30 CBEDLP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(C#N)CCC2)CC1 ZINC001325879069 804331091 /nfs/dbraw/zinc/33/10/91/804331091.db2.gz NIKRWUFXHBCYHF-CYBMUJFWSA-N 2 2 266.389 -0.122 20 30 CBEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070337036 805179921 /nfs/dbraw/zinc/17/99/21/805179921.db2.gz JBYHKKFHVWDUFW-OLZOCXBDSA-N 2 2 299.338 -0.851 20 30 CBEDLP N#C[C@H]1C[NH2+]CCN1c1ccc(N2CC[NH2+]CC2)cn1 ZINC001156327869 815353860 /nfs/dbraw/zinc/35/38/60/815353860.db2.gz PWRLMEDUUJMWQO-ZDUSSCGKSA-N 2 2 272.356 -0.207 20 30 CBEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090593500 810530203 /nfs/dbraw/zinc/53/02/03/810530203.db2.gz FFJGPJOTKPCRBF-NEPJUHHUSA-N 2 2 264.329 -0.310 20 30 CBEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090593500 810530209 /nfs/dbraw/zinc/53/02/09/810530209.db2.gz FFJGPJOTKPCRBF-NEPJUHHUSA-N 2 2 264.329 -0.310 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727356 810555671 /nfs/dbraw/zinc/55/56/71/810555671.db2.gz KBHGDVRTJFTRTR-ZIAGYGMSSA-N 2 2 290.367 -0.463 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727356 810555677 /nfs/dbraw/zinc/55/56/77/810555677.db2.gz KBHGDVRTJFTRTR-ZIAGYGMSSA-N 2 2 290.367 -0.463 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728476 810556028 /nfs/dbraw/zinc/55/60/28/810556028.db2.gz SNSWPUSLCWMTNN-ZIAGYGMSSA-N 2 2 290.367 -0.463 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728476 810556038 /nfs/dbraw/zinc/55/60/38/810556038.db2.gz SNSWPUSLCWMTNN-ZIAGYGMSSA-N 2 2 290.367 -0.463 20 30 CBEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728866 810559611 /nfs/dbraw/zinc/55/96/11/810559611.db2.gz XVASGKAXJJIRDL-QWHCGFSZSA-N 2 2 278.356 -0.300 20 30 CBEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728866 810559619 /nfs/dbraw/zinc/55/96/19/810559619.db2.gz XVASGKAXJJIRDL-QWHCGFSZSA-N 2 2 278.356 -0.300 20 30 CBEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090762932 810563061 /nfs/dbraw/zinc/56/30/61/810563061.db2.gz COMWCPYHISQQGR-WCQYABFASA-N 2 2 278.356 -0.002 20 30 CBEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090762932 810563069 /nfs/dbraw/zinc/56/30/69/810563069.db2.gz COMWCPYHISQQGR-WCQYABFASA-N 2 2 278.356 -0.002 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090814030 810568926 /nfs/dbraw/zinc/56/89/26/810568926.db2.gz HXZAMBSQRBDJCA-UONOGXRCSA-N 2 2 279.384 -0.343 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090814030 810568932 /nfs/dbraw/zinc/56/89/32/810568932.db2.gz HXZAMBSQRBDJCA-UONOGXRCSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090846686 810574361 /nfs/dbraw/zinc/57/43/61/810574361.db2.gz IABGXNBNZFVFJD-OLZOCXBDSA-N 2 2 276.340 -0.542 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090846686 810574365 /nfs/dbraw/zinc/57/43/65/810574365.db2.gz IABGXNBNZFVFJD-OLZOCXBDSA-N 2 2 276.340 -0.542 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001098772663 810857920 /nfs/dbraw/zinc/85/79/20/810857920.db2.gz XJBYYTGCTKFCKH-LZWOXQAQSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001098772663 810857929 /nfs/dbraw/zinc/85/79/29/810857929.db2.gz XJBYYTGCTKFCKH-LZWOXQAQSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098772663 810857934 /nfs/dbraw/zinc/85/79/34/810857934.db2.gz XJBYYTGCTKFCKH-LZWOXQAQSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098772663 810857943 /nfs/dbraw/zinc/85/79/43/810857943.db2.gz XJBYYTGCTKFCKH-LZWOXQAQSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940458 810972115 /nfs/dbraw/zinc/97/21/15/810972115.db2.gz VWYSPRPRZXVLPU-KGLIPLIRSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940458 810972121 /nfs/dbraw/zinc/97/21/21/810972121.db2.gz VWYSPRPRZXVLPU-KGLIPLIRSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940149 810972522 /nfs/dbraw/zinc/97/25/22/810972522.db2.gz QXMYCIIZDCRQHA-CHWSQXEVSA-N 2 2 276.340 -0.542 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940149 810972527 /nfs/dbraw/zinc/97/25/27/810972527.db2.gz QXMYCIIZDCRQHA-CHWSQXEVSA-N 2 2 276.340 -0.542 20 30 CBEDLP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C(=O)NO ZINC001157304369 815422127 /nfs/dbraw/zinc/42/21/27/815422127.db2.gz XZTGEADSOWANJA-QWRGUYRKSA-N 2 2 297.359 -0.674 20 30 CBEDLP Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C#N)n1 ZINC001158206378 815514326 /nfs/dbraw/zinc/51/43/26/815514326.db2.gz LRANVXBAHYBIMO-SECBINFHSA-N 2 2 258.285 -0.296 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC001122058557 813110664 /nfs/dbraw/zinc/11/06/64/813110664.db2.gz VFGCKQVHPKJLIO-LBPRGKRZSA-N 2 2 281.356 -0.695 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC001122058557 813110668 /nfs/dbraw/zinc/11/06/68/813110668.db2.gz VFGCKQVHPKJLIO-LBPRGKRZSA-N 2 2 281.356 -0.695 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481250 813943855 /nfs/dbraw/zinc/94/38/55/813943855.db2.gz NSJKLPLHUOGPSZ-CYBMUJFWSA-N 2 2 290.367 -0.199 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080499 814437579 /nfs/dbraw/zinc/43/75/79/814437579.db2.gz VIQWCSMKWWAOGC-LBPRGKRZSA-N 2 2 278.356 -0.056 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135080499 814437582 /nfs/dbraw/zinc/43/75/82/814437582.db2.gz VIQWCSMKWWAOGC-LBPRGKRZSA-N 2 2 278.356 -0.056 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160432447 815620916 /nfs/dbraw/zinc/62/09/16/815620916.db2.gz WHUAXHARIXTVHA-ZDUSSCGKSA-N 3 2 266.389 -0.357 20 30 CBEDLP C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001161537140 815769023 /nfs/dbraw/zinc/76/90/23/815769023.db2.gz QZRWXUSWADBSHA-UTUOFQBUSA-N 2 2 296.371 -0.421 20 30 CBEDLP C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001161537141 815769374 /nfs/dbraw/zinc/76/93/74/815769374.db2.gz QZRWXUSWADBSHA-WOPDTQHZSA-N 2 2 296.371 -0.421 20 30 CBEDLP C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001161537149 815770513 /nfs/dbraw/zinc/77/05/13/815770513.db2.gz RCOUIOQQZRSIOQ-WOPDTQHZSA-N 2 2 296.371 -0.564 20 30 CBEDLP COCC#CC[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001317465043 816988366 /nfs/dbraw/zinc/98/83/66/816988366.db2.gz IASZKUAZVDQGJM-UHFFFAOYSA-N 2 2 297.399 -0.594 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320236364 817301746 /nfs/dbraw/zinc/30/17/46/817301746.db2.gz XTDFESUPAAHINF-HBNTYKKESA-N 2 2 264.329 -0.234 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320236364 817301751 /nfs/dbraw/zinc/30/17/51/817301751.db2.gz XTDFESUPAAHINF-HBNTYKKESA-N 2 2 264.329 -0.234 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001320282464 817312287 /nfs/dbraw/zinc/31/22/87/817312287.db2.gz HXFSPZXQOSAHFW-STQMWFEESA-N 2 2 278.356 -0.076 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001320282932 817312735 /nfs/dbraw/zinc/31/27/35/817312735.db2.gz LIPQFLNVTSIJHU-ZYHUDNBSSA-N 2 2 264.329 -0.712 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001320282932 817312730 /nfs/dbraw/zinc/31/27/30/817312730.db2.gz LIPQFLNVTSIJHU-ZYHUDNBSSA-N 2 2 264.329 -0.712 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001320282930 817313182 /nfs/dbraw/zinc/31/31/82/817313182.db2.gz LIPQFLNVTSIJHU-JQWIXIFHSA-N 2 2 264.329 -0.712 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001320282930 817313189 /nfs/dbraw/zinc/31/31/89/817313189.db2.gz LIPQFLNVTSIJHU-JQWIXIFHSA-N 2 2 264.329 -0.712 20 30 CBEDLP Cc1cc(C#N)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071869 820204798 /nfs/dbraw/zinc/20/47/98/820204798.db2.gz NWRXCIQIYGBMMK-SECBINFHSA-N 2 2 258.285 -0.296 20 30 CBEDLP COc1nc(C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1C#N ZINC001169071837 820204948 /nfs/dbraw/zinc/20/49/48/820204948.db2.gz NEBPJXVXDBXDCZ-SECBINFHSA-N 2 2 288.311 -0.287 20 30 CBEDLP COC(=O)[C@@H]1C[C@@H](Nc2cc[nH+]c(CC#N)c2)C[NH2+]1 ZINC001169137062 820212504 /nfs/dbraw/zinc/21/25/04/820212504.db2.gz SYBQGWCPRCKELS-NEPJUHHUSA-N 2 2 260.297 -0.115 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001185253645 821111752 /nfs/dbraw/zinc/11/17/52/821111752.db2.gz XJLQQFJLKFMQJF-CYBMUJFWSA-N 2 2 266.389 -0.438 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001185253645 821111753 /nfs/dbraw/zinc/11/17/53/821111753.db2.gz XJLQQFJLKFMQJF-CYBMUJFWSA-N 2 2 266.389 -0.438 20 30 CBEDLP C#CC[NH2+][C@@H](CO)CNC(=O)CCCn1cc[nH+]c1 ZINC001283832321 828555928 /nfs/dbraw/zinc/55/59/28/828555928.db2.gz UDIQGANISQAMKU-GFCCVEGCSA-N 2 2 264.329 -0.637 20 30 CBEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517876 823763811 /nfs/dbraw/zinc/76/38/11/823763811.db2.gz WFVXAFWCXHEZIQ-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517876 823763816 /nfs/dbraw/zinc/76/38/16/823763816.db2.gz WFVXAFWCXHEZIQ-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189517876 823763820 /nfs/dbraw/zinc/76/38/20/823763820.db2.gz WFVXAFWCXHEZIQ-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189517876 823763825 /nfs/dbraw/zinc/76/38/25/823763825.db2.gz WFVXAFWCXHEZIQ-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198293240 824225072 /nfs/dbraw/zinc/22/50/72/824225072.db2.gz YNKGOXWTOONIHT-ZIAGYGMSSA-N 2 2 290.367 -0.463 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198293240 824225077 /nfs/dbraw/zinc/22/50/77/824225077.db2.gz YNKGOXWTOONIHT-ZIAGYGMSSA-N 2 2 290.367 -0.463 20 30 CBEDLP N#Cc1c2c(sc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C[NH2+]CC2 ZINC001218551862 824590001 /nfs/dbraw/zinc/59/00/01/824590001.db2.gz BLDLANQFFQTJKG-UWVGGRQHSA-N 3 2 291.380 -0.249 20 30 CBEDLP C#Cc1cnc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c(C#C)n1 ZINC001218657819 824618690 /nfs/dbraw/zinc/61/86/90/824618690.db2.gz UULLGMMYXDFKMK-LBPRGKRZSA-N 2 2 294.318 -0.319 20 30 CBEDLP Cn1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c(C#N)n1 ZINC001218669206 824619042 /nfs/dbraw/zinc/61/90/42/824619042.db2.gz XNOUZCBUBCRACK-UHFFFAOYSA-N 2 2 262.317 -0.428 20 30 CBEDLP Cn1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(C#N)n1 ZINC001218667769 824619892 /nfs/dbraw/zinc/61/98/92/824619892.db2.gz KQYLEUYHNQAHPP-RWYTXXIDSA-N 2 2 260.301 -0.548 20 30 CBEDLP N#Cc1ccnnc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218701321 824624384 /nfs/dbraw/zinc/62/43/84/824624384.db2.gz IICDVRVCHUYIEB-SECBINFHSA-N 2 2 257.257 -0.420 20 30 CBEDLP COC(=O)c1cc(C#N)cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219136855 824666710 /nfs/dbraw/zinc/66/67/10/824666710.db2.gz TVVHNPCSBKNIEC-RYUDHWBXSA-N 2 2 288.307 -0.170 20 30 CBEDLP N#Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(C#N)c1 ZINC001219392676 824703152 /nfs/dbraw/zinc/70/31/52/824703152.db2.gz CPRJBFOFYUDIDH-QWRGUYRKSA-N 2 2 255.281 -0.085 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219799921 824895589 /nfs/dbraw/zinc/89/55/89/824895589.db2.gz CIQJASQMFGDVNM-NEPJUHHUSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219799921 824895593 /nfs/dbraw/zinc/89/55/93/824895593.db2.gz CIQJASQMFGDVNM-NEPJUHHUSA-N 2 2 265.357 -0.735 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219904953 824913083 /nfs/dbraw/zinc/91/30/83/824913083.db2.gz PLPDSGOCNKFIPW-OLZOCXBDSA-N 2 2 281.400 -0.099 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219904953 824913086 /nfs/dbraw/zinc/91/30/86/824913086.db2.gz PLPDSGOCNKFIPW-OLZOCXBDSA-N 2 2 281.400 -0.099 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219904953 824913091 /nfs/dbraw/zinc/91/30/91/824913091.db2.gz PLPDSGOCNKFIPW-OLZOCXBDSA-N 2 2 281.400 -0.099 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219904953 824913094 /nfs/dbraw/zinc/91/30/94/824913094.db2.gz PLPDSGOCNKFIPW-OLZOCXBDSA-N 2 2 281.400 -0.099 20 30 CBEDLP C=C(C)C(=O)OCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220124539 824960129 /nfs/dbraw/zinc/96/01/29/824960129.db2.gz BPWODTQAQFUVAZ-BREBYQMCSA-N 2 2 267.329 -0.556 20 30 CBEDLP N#CCCCCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220191426 824984732 /nfs/dbraw/zinc/98/47/32/824984732.db2.gz IHYFWLJVORBPGL-LBPRGKRZSA-N 2 2 267.377 -0.453 20 30 CBEDLP CCOC(=O)[C@H](C#N)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220499372 825050708 /nfs/dbraw/zinc/05/07/08/825050708.db2.gz XBGRWIQYTYSTNZ-RYUDHWBXSA-N 2 2 290.323 -0.170 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553345 825060358 /nfs/dbraw/zinc/06/03/58/825060358.db2.gz FUBSOPXEAYNKSZ-KGLIPLIRSA-N 2 2 297.399 -0.554 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553345 825060369 /nfs/dbraw/zinc/06/03/69/825060369.db2.gz FUBSOPXEAYNKSZ-KGLIPLIRSA-N 2 2 297.399 -0.554 20 30 CBEDLP C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001220571681 825066457 /nfs/dbraw/zinc/06/64/57/825066457.db2.gz XCUFXVPBNHDCGH-PUYPPJJSSA-N 2 2 292.339 -0.097 20 30 CBEDLP N#Cc1cnc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)s1 ZINC001220872187 825117181 /nfs/dbraw/zinc/11/71/81/825117181.db2.gz NKGRDSRXTVIOHT-LNLATYFQSA-N 2 2 277.353 -0.147 20 30 CBEDLP N#Cc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)cn1 ZINC001221089337 825143817 /nfs/dbraw/zinc/14/38/17/825143817.db2.gz OLFLUHGNDNMJDG-BXUZGUMPSA-N 2 2 271.324 -0.479 20 30 CBEDLP C=CC[C@@](C)(NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)C(=O)OC ZINC001221382509 825179933 /nfs/dbraw/zinc/17/99/33/825179933.db2.gz UMUCYQZIMLKQEE-GDLCADMTSA-N 2 2 281.356 -0.438 20 30 CBEDLP C=CC[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC ZINC001246264518 825658489 /nfs/dbraw/zinc/65/84/89/825658489.db2.gz CDKQJWZOOXFJGB-GHMZBOCLSA-N 2 2 253.346 -0.212 20 30 CBEDLP N#Cc1ccc(C(=[NH2+])NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC001251035760 825768016 /nfs/dbraw/zinc/76/80/16/825768016.db2.gz MQTUARASOOJAIE-CQSZACIVSA-N 2 2 288.351 -0.043 20 30 CBEDLP C=CCC[C@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC001252624776 825878904 /nfs/dbraw/zinc/87/89/04/825878904.db2.gz LTNGRCGYHHSVIE-QWRGUYRKSA-N 2 2 252.318 -0.277 20 30 CBEDLP C=C[C@H](O)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001253581138 825918008 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C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001266288121 826973224 /nfs/dbraw/zinc/97/32/24/826973224.db2.gz SUHYVJLSEFLKJD-OAHLLOKOSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001266288121 826973226 /nfs/dbraw/zinc/97/32/26/826973226.db2.gz SUHYVJLSEFLKJD-OAHLLOKOSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001268085688 827255242 /nfs/dbraw/zinc/25/52/42/827255242.db2.gz OAFOSJMLRXQUNT-LLVKDONJSA-N 2 2 291.355 -0.862 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268317758 827297055 /nfs/dbraw/zinc/29/70/55/827297055.db2.gz ZEXFXOQKENDILM-NEPJUHHUSA-N 2 2 276.340 -0.855 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268329656 827304985 /nfs/dbraw/zinc/30/49/85/827304985.db2.gz WXNJGVWABWQJDO-ZYHUDNBSSA-N 2 2 266.345 -0.159 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268329656 827304990 /nfs/dbraw/zinc/30/49/90/827304990.db2.gz WXNJGVWABWQJDO-ZYHUDNBSSA-N 2 2 266.345 -0.159 20 30 CBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001269285369 827489225 /nfs/dbraw/zinc/48/92/25/827489225.db2.gz JBTRQCYMPISEGD-STQMWFEESA-N 2 2 296.415 -0.181 20 30 CBEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001269285369 827489227 /nfs/dbraw/zinc/48/92/27/827489227.db2.gz JBTRQCYMPISEGD-STQMWFEESA-N 2 2 296.415 -0.181 20 30 CBEDLP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271210786 827677880 /nfs/dbraw/zinc/67/78/80/827677880.db2.gz UEADJFRIVNQEMZ-HNNXBMFYSA-N 2 2 290.367 -0.461 20 30 CBEDLP CC#CC[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271210786 827677883 /nfs/dbraw/zinc/67/78/83/827677883.db2.gz UEADJFRIVNQEMZ-HNNXBMFYSA-N 2 2 290.367 -0.461 20 30 CBEDLP C=C(C)C[NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001272321277 827780462 /nfs/dbraw/zinc/78/04/62/827780462.db2.gz BLWYFJFPDQORLD-UHFFFAOYSA-N 2 2 266.345 -0.130 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001272451409 827800410 /nfs/dbraw/zinc/80/04/10/827800410.db2.gz FKQGPJMGPXPVMV-NWDGAFQWSA-N 2 2 276.340 -0.855 20 30 CBEDLP C=C(C)C[NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001272488602 827805082 /nfs/dbraw/zinc/80/50/82/827805082.db2.gz PKQWJBYELFEEAK-LBPRGKRZSA-N 2 2 266.345 -0.084 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001272537041 827817362 /nfs/dbraw/zinc/81/73/62/827817362.db2.gz PKFGYSVRGVZPCX-AAEUAGOBSA-N 2 2 278.356 -0.322 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001272537041 827817373 /nfs/dbraw/zinc/81/73/73/827817373.db2.gz PKFGYSVRGVZPCX-AAEUAGOBSA-N 2 2 278.356 -0.322 20 30 CBEDLP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275800800 828116251 /nfs/dbraw/zinc/11/62/51/828116251.db2.gz LFSAETMGXWHXBF-KGLIPLIRSA-N 2 2 297.399 -0.597 20 30 CBEDLP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275800800 828116253 /nfs/dbraw/zinc/11/62/53/828116253.db2.gz LFSAETMGXWHXBF-KGLIPLIRSA-N 2 2 297.399 -0.597 20 30 CBEDLP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275800800 828116254 /nfs/dbraw/zinc/11/62/54/828116254.db2.gz LFSAETMGXWHXBF-KGLIPLIRSA-N 2 2 297.399 -0.597 20 30 CBEDLP COCC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275800800 828116256 /nfs/dbraw/zinc/11/62/56/828116256.db2.gz LFSAETMGXWHXBF-KGLIPLIRSA-N 2 2 297.399 -0.597 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001276094370 828133921 /nfs/dbraw/zinc/13/39/21/828133921.db2.gz GMQXGVCPKRHULS-CQSZACIVSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001276094370 828133923 /nfs/dbraw/zinc/13/39/23/828133923.db2.gz GMQXGVCPKRHULS-CQSZACIVSA-N 2 2 293.411 -0.096 20 30 CBEDLP C=C(C)CC[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001278179707 828257082 /nfs/dbraw/zinc/25/70/82/828257082.db2.gz TXILBJFGNGYBEF-LBPRGKRZSA-N 2 2 280.372 -0.005 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001278785374 828288387 /nfs/dbraw/zinc/28/83/87/828288387.db2.gz DYOPDGBBECZNEV-LBPRGKRZSA-N 2 2 280.372 -0.052 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC=C)C1 ZINC001278787528 828289808 /nfs/dbraw/zinc/28/98/08/828289808.db2.gz SIHJZZVNGPMZCM-HOCLYGCPSA-N 2 2 291.395 -0.177 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC=C)C1 ZINC001278787528 828289813 /nfs/dbraw/zinc/28/98/13/828289813.db2.gz SIHJZZVNGPMZCM-HOCLYGCPSA-N 2 2 291.395 -0.177 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC=C)C1 ZINC001278787528 828289818 /nfs/dbraw/zinc/28/98/18/828289818.db2.gz SIHJZZVNGPMZCM-HOCLYGCPSA-N 2 2 291.395 -0.177 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC=C)C1 ZINC001278787528 828289824 /nfs/dbraw/zinc/28/98/24/828289824.db2.gz SIHJZZVNGPMZCM-HOCLYGCPSA-N 2 2 291.395 -0.177 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC001335411535 888525863 /nfs/dbraw/zinc/52/58/63/888525863.db2.gz HBGNARIGUSYGAL-OAHLLOKOSA-N 2 2 278.400 -0.120 20 30 CBEDLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])CCCC#N ZINC001336711196 888852652 /nfs/dbraw/zinc/85/26/52/888852652.db2.gz HWHPLVPAZDYDTK-CHWSQXEVSA-N 2 2 298.387 -0.841 20 30 CBEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001047609219 884628886 /nfs/dbraw/zinc/62/88/86/884628886.db2.gz BQBUSNWPQGDDGC-STQMWFEESA-N 2 2 278.356 -0.050 20 30 CBEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001047609219 884628894 /nfs/dbraw/zinc/62/88/94/884628894.db2.gz BQBUSNWPQGDDGC-STQMWFEESA-N 2 2 278.356 -0.050 20 30 CBEDLP C#CCC[NH2+]CCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001326119420 884910745 /nfs/dbraw/zinc/91/07/45/884910745.db2.gz OOVIBIUVDFXWKI-UHFFFAOYSA-N 2 2 264.329 -0.614 20 30 CBEDLP C#CC[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001327602501 885427105 /nfs/dbraw/zinc/42/71/05/885427105.db2.gz DNBGLDLIHAPWKT-OAHLLOKOSA-N 2 2 290.367 -0.163 20 30 CBEDLP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001329099769 885927689 /nfs/dbraw/zinc/92/76/89/885927689.db2.gz NIRSINNPUCXMEZ-RYUDHWBXSA-N 2 2 295.387 -0.536 20 30 CBEDLP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001329099769 885927698 /nfs/dbraw/zinc/92/76/98/885927698.db2.gz NIRSINNPUCXMEZ-RYUDHWBXSA-N 2 2 295.387 -0.536 20 30 CBEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001329563594 886123503 /nfs/dbraw/zinc/12/35/03/886123503.db2.gz ABZAYZDVYDDKEZ-QWRGUYRKSA-N 2 2 281.360 -0.927 20 30 CBEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001329563594 886123518 /nfs/dbraw/zinc/12/35/18/886123518.db2.gz ABZAYZDVYDDKEZ-QWRGUYRKSA-N 2 2 281.360 -0.927 20 30 CBEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001329563593 886124691 /nfs/dbraw/zinc/12/46/91/886124691.db2.gz ABZAYZDVYDDKEZ-MNOVXSKESA-N 2 2 281.360 -0.927 20 30 CBEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001329563593 886124698 /nfs/dbraw/zinc/12/46/98/886124698.db2.gz ABZAYZDVYDDKEZ-MNOVXSKESA-N 2 2 281.360 -0.927 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001332520896 887335708 /nfs/dbraw/zinc/33/57/08/887335708.db2.gz FBMPPSNMGYEJMP-JHJVBQTASA-N 2 2 290.367 -0.055 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001332520896 887335719 /nfs/dbraw/zinc/33/57/19/887335719.db2.gz FBMPPSNMGYEJMP-JHJVBQTASA-N 2 2 290.367 -0.055 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001332520898 887335804 /nfs/dbraw/zinc/33/58/04/887335804.db2.gz FBMPPSNMGYEJMP-YNEHKIRRSA-N 2 2 290.367 -0.055 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001332520898 887335819 /nfs/dbraw/zinc/33/58/19/887335819.db2.gz FBMPPSNMGYEJMP-YNEHKIRRSA-N 2 2 290.367 -0.055 20 30 CBEDLP C=CC[C@@H](CO)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336941482 888927916 /nfs/dbraw/zinc/92/79/16/888927916.db2.gz LCDVFFLSVPLAKH-LBPRGKRZSA-N 2 2 270.377 -0.354 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[NH+](CCOCCOC)CC1 ZINC001340684956 889467927 /nfs/dbraw/zinc/46/79/27/889467927.db2.gz QEDKLIBMTITGPZ-UHFFFAOYSA-N 2 2 283.372 -0.984 20 30 CBEDLP C=CCn1cc(C(=O)NCC[NH+]2CCC([NH3+])CC2)nn1 ZINC001341689519 889649205 /nfs/dbraw/zinc/64/92/05/889649205.db2.gz AAKAROUIQXFINR-UHFFFAOYSA-N 2 2 278.360 -0.383 20 30 CBEDLP CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001507237310 921771997 /nfs/dbraw/zinc/77/19/97/921771997.db2.gz PWJHHFQRZSHXJM-QWHCGFSZSA-N 2 2 278.356 -0.076 20 30 CBEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001507254451 921782196 /nfs/dbraw/zinc/78/21/96/921782196.db2.gz BLJBTCMJFSQWHO-LLVKDONJSA-N 2 2 266.345 -0.097 20 30 CBEDLP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001480167833 916317426 /nfs/dbraw/zinc/31/74/26/916317426.db2.gz PUQLRAFIFSAVKZ-JOCQHMNTSA-N 2 2 290.367 -0.151 20 30 CBEDLP CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@H]1CCC[NH+]1C ZINC001482584729 917171198 /nfs/dbraw/zinc/17/11/98/917171198.db2.gz GARKHJPAQWXSLA-GFCCVEGCSA-N 2 2 295.387 -0.889 20 30 CBEDLP CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@H]1CCC[NH+]1C ZINC001482584729 917171192 /nfs/dbraw/zinc/17/11/92/917171192.db2.gz GARKHJPAQWXSLA-GFCCVEGCSA-N 2 2 295.387 -0.889 20 30 CBEDLP CN(CC[NH+](C)CC(=O)NCC#N)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482584729 917171207 /nfs/dbraw/zinc/17/12/07/917171207.db2.gz GARKHJPAQWXSLA-GFCCVEGCSA-N 2 2 295.387 -0.889 20 30 CBEDLP CN(CC[NH+](C)CC(=O)NCC#N)C(=O)[C@H]1CCC[N@H+]1C ZINC001482584729 917171211 /nfs/dbraw/zinc/17/12/11/917171211.db2.gz GARKHJPAQWXSLA-GFCCVEGCSA-N 2 2 295.387 -0.889 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001482625006 917183678 /nfs/dbraw/zinc/18/36/78/917183678.db2.gz FOFWLGCUYZAYHL-UHFFFAOYSA-N 2 2 282.388 -0.922 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001482625006 917183685 /nfs/dbraw/zinc/18/36/85/917183685.db2.gz FOFWLGCUYZAYHL-UHFFFAOYSA-N 2 2 282.388 -0.922 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001482743828 917245946 /nfs/dbraw/zinc/24/59/46/917245946.db2.gz JYESIQMWYJKTGW-WCQYABFASA-N 2 2 276.340 -0.855 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001482744038 917247783 /nfs/dbraw/zinc/24/77/83/917247783.db2.gz OPABSLLWIUSCKQ-AAEUAGOBSA-N 2 2 278.356 -0.302 20 30 CBEDLP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001482772115 917266273 /nfs/dbraw/zinc/26/62/73/917266273.db2.gz PODBRYKYUTZPGV-GFCCVEGCSA-N 2 2 266.345 -0.015 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001482798114 917292528 /nfs/dbraw/zinc/29/25/28/917292528.db2.gz AQTMCJKLSLUDEE-JTQLQIEISA-N 2 2 272.736 -0.298 20 30 CBEDLP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485983913 918277020 /nfs/dbraw/zinc/27/70/20/918277020.db2.gz DNRNPOWGJBBAPV-MNOVXSKESA-N 2 2 291.779 -0.864 20 30 CBEDLP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485983913 918277031 /nfs/dbraw/zinc/27/70/31/918277031.db2.gz DNRNPOWGJBBAPV-MNOVXSKESA-N 2 2 291.779 -0.864 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001486283329 918408650 /nfs/dbraw/zinc/40/86/50/918408650.db2.gz VLNCZCGUOTWVRM-QJPTWQEYSA-N 2 2 276.340 -0.445 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001486283329 918408659 /nfs/dbraw/zinc/40/86/59/918408659.db2.gz VLNCZCGUOTWVRM-QJPTWQEYSA-N 2 2 276.340 -0.445 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001491647754 919245006 /nfs/dbraw/zinc/24/50/06/919245006.db2.gz BINXGBVNWJOHGT-JTQLQIEISA-N 2 2 293.371 -0.343 20 30 CBEDLP CC#CC[NH2+]C[C@@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001497005678 920203875 /nfs/dbraw/zinc/20/38/75/920203875.db2.gz NZZLDGRTRBVESK-LLVKDONJSA-N 2 2 294.355 -0.560 20 30 CBEDLP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001497127079 920257696 /nfs/dbraw/zinc/25/76/96/920257696.db2.gz RHIZJWVYWCPHAU-LBPRGKRZSA-N 2 2 266.345 -0.084 20 30 CBEDLP COCC#CC[NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001497686079 920373347 /nfs/dbraw/zinc/37/33/47/920373347.db2.gz RRSQGPQTOBEVHQ-IHWYPQMZSA-N 2 2 276.340 -0.136 20 30 CBEDLP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001498952752 920668628 /nfs/dbraw/zinc/66/86/28/920668628.db2.gz OSXXATABOCAFGD-UONOGXRCSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001498952752 920668643 /nfs/dbraw/zinc/66/86/43/920668643.db2.gz OSXXATABOCAFGD-UONOGXRCSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001498952752 920668664 /nfs/dbraw/zinc/66/86/64/920668664.db2.gz OSXXATABOCAFGD-UONOGXRCSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001498952752 920668674 /nfs/dbraw/zinc/66/86/74/920668674.db2.gz OSXXATABOCAFGD-UONOGXRCSA-N 2 2 297.399 -0.290 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001521511844 922365003 /nfs/dbraw/zinc/36/50/03/922365003.db2.gz FGCDBNVCNOWTEB-HLUHBDAQSA-N 2 2 260.297 -0.306 20 30 CBEDLP N#CCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125273090 351857121 /nfs/dbraw/zinc/85/71/21/351857121.db2.gz TYNQIYXIVMTZIC-UHFFFAOYSA-N 2 2 259.313 -0.157 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193600975 352207821 /nfs/dbraw/zinc/20/78/21/352207821.db2.gz WPIPGNBXIVFLLZ-SDDRHHMPSA-N 2 2 280.372 -0.120 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193600975 352207822 /nfs/dbraw/zinc/20/78/22/352207822.db2.gz WPIPGNBXIVFLLZ-SDDRHHMPSA-N 2 2 280.372 -0.120 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193600975 352207823 /nfs/dbraw/zinc/20/78/23/352207823.db2.gz WPIPGNBXIVFLLZ-SDDRHHMPSA-N 2 2 280.372 -0.120 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193600975 352207824 /nfs/dbraw/zinc/20/78/24/352207824.db2.gz WPIPGNBXIVFLLZ-SDDRHHMPSA-N 2 2 280.372 -0.120 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CC(C)(C)O)CC1 ZINC000304754454 352747034 /nfs/dbraw/zinc/74/70/34/352747034.db2.gz YWBLQFXZPQGCDV-UHFFFAOYSA-N 2 2 281.400 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)CC(C)(C)O)CC1 ZINC000304754454 352747038 /nfs/dbraw/zinc/74/70/38/352747038.db2.gz YWBLQFXZPQGCDV-UHFFFAOYSA-N 2 2 281.400 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2[C@@H](C)O)CC1 ZINC000304713530 352747322 /nfs/dbraw/zinc/74/73/22/352747322.db2.gz MRCDTBGILDXEGW-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2[C@@H](C)O)CC1 ZINC000304713530 352747325 /nfs/dbraw/zinc/74/73/25/352747325.db2.gz MRCDTBGILDXEGW-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C[C@H](C)O)CC1 ZINC000305214755 352748244 /nfs/dbraw/zinc/74/82/44/352748244.db2.gz HZZJPGAPOHDNKO-LSDHHAIUSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C[C@H](C)O)CC1 ZINC000305214755 352748250 /nfs/dbraw/zinc/74/82/50/352748250.db2.gz HZZJPGAPOHDNKO-LSDHHAIUSA-N 2 2 293.411 -0.001 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357083132 353601938 /nfs/dbraw/zinc/60/19/38/353601938.db2.gz IRPQSJKHXNYMTK-SRVKXCTJSA-N 2 2 280.372 -0.072 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357083132 353601939 /nfs/dbraw/zinc/60/19/39/353601939.db2.gz IRPQSJKHXNYMTK-SRVKXCTJSA-N 2 2 280.372 -0.072 20 30 CBEDLP C=C[C@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000358962209 353651767 /nfs/dbraw/zinc/65/17/67/353651767.db2.gz XKXFKFLUPMZJMZ-GFCCVEGCSA-N 2 2 284.404 -0.142 20 30 CBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826297 353668532 /nfs/dbraw/zinc/66/85/32/353668532.db2.gz MKCFIKPKMYDUFF-QWHCGFSZSA-N 2 2 294.399 -0.427 20 30 CBEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826297 353668534 /nfs/dbraw/zinc/66/85/34/353668534.db2.gz MKCFIKPKMYDUFF-QWHCGFSZSA-N 2 2 294.399 -0.427 20 30 CBEDLP C#CC[NH+]1CCN(C[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000364426840 353671818 /nfs/dbraw/zinc/67/18/18/353671818.db2.gz DNMDKTBDVQLIOJ-CQSZACIVSA-N 2 2 251.374 -0.042 20 30 CBEDLP C#CC[NH+]1CCN(C[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000364426840 353671822 /nfs/dbraw/zinc/67/18/22/353671822.db2.gz DNMDKTBDVQLIOJ-CQSZACIVSA-N 2 2 251.374 -0.042 20 30 CBEDLP C#CCC[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371205048 353697419 /nfs/dbraw/zinc/69/74/19/353697419.db2.gz NCXHBNOKSZOUBO-CQSZACIVSA-N 2 2 251.374 -0.042 20 30 CBEDLP C#CCC[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371205048 353697422 /nfs/dbraw/zinc/69/74/22/353697422.db2.gz NCXHBNOKSZOUBO-CQSZACIVSA-N 2 2 251.374 -0.042 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420372649 354126338 /nfs/dbraw/zinc/12/63/38/354126338.db2.gz QHRSBVZNWYDCNV-JBLDHEPKSA-N 2 2 268.361 -0.026 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420372646 354126746 /nfs/dbraw/zinc/12/67/46/354126746.db2.gz QHRSBVZNWYDCNV-CKYFFXLPSA-N 2 2 268.361 -0.026 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000490781111 354447123 /nfs/dbraw/zinc/44/71/23/354447123.db2.gz WGUIRCNSKMBIOZ-CQSZACIVSA-N 2 2 279.384 -0.532 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000490781111 354447126 /nfs/dbraw/zinc/44/71/26/354447126.db2.gz WGUIRCNSKMBIOZ-CQSZACIVSA-N 2 2 279.384 -0.532 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)CCCO)CC1 ZINC000490781022 354447234 /nfs/dbraw/zinc/44/72/34/354447234.db2.gz UHMNJONPLNFWQL-UHFFFAOYSA-N 2 2 267.373 -0.532 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CCCO)CC1 ZINC000490781022 354447235 /nfs/dbraw/zinc/44/72/35/354447235.db2.gz UHMNJONPLNFWQL-UHFFFAOYSA-N 2 2 267.373 -0.532 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000566863192 354776337 /nfs/dbraw/zinc/77/63/37/354776337.db2.gz JCCLLKZKEUWBOX-AWEZNQCLSA-N 2 2 298.431 -0.781 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000566863192 354776340 /nfs/dbraw/zinc/77/63/40/354776340.db2.gz JCCLLKZKEUWBOX-AWEZNQCLSA-N 2 2 298.431 -0.781 20 30 CBEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570675404 354866771 /nfs/dbraw/zinc/86/67/71/354866771.db2.gz KSZUBLVZKSJQEO-AVGNSLFASA-N 2 2 282.388 -0.138 20 30 CBEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570675404 354866774 /nfs/dbraw/zinc/86/67/74/354866774.db2.gz KSZUBLVZKSJQEO-AVGNSLFASA-N 2 2 282.388 -0.138 20 30 CBEDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000573001683 354902903 /nfs/dbraw/zinc/90/29/03/354902903.db2.gz VQQKLLSJKJFXJC-AWEZNQCLSA-N 2 2 286.339 -0.243 20 30 CBEDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000573001683 354902906 /nfs/dbraw/zinc/90/29/06/354902906.db2.gz VQQKLLSJKJFXJC-AWEZNQCLSA-N 2 2 286.339 -0.243 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000592485261 355157602 /nfs/dbraw/zinc/15/76/02/355157602.db2.gz URCWMHDFDXCAHA-UHFFFAOYSA-N 2 2 254.334 -0.189 20 30 CBEDLP C[NH+](C)CCN1CC[N@H+](CCOCCC#N)CC1=O ZINC000593049761 355190450 /nfs/dbraw/zinc/19/04/50/355190450.db2.gz OTBRQZRYWDHTEQ-UHFFFAOYSA-N 2 2 268.361 -0.378 20 30 CBEDLP C[NH+](C)CCN1CC[N@@H+](CCOCCC#N)CC1=O ZINC000593049761 355190451 /nfs/dbraw/zinc/19/04/51/355190451.db2.gz OTBRQZRYWDHTEQ-UHFFFAOYSA-N 2 2 268.361 -0.378 20 30 CBEDLP N#Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)o1 ZINC000600767264 355565549 /nfs/dbraw/zinc/56/55/49/355565549.db2.gz AJEXIRYQJBTGQO-JOYOIKCWSA-N 2 2 260.297 -0.105 20 30 CBEDLP N#Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)o1 ZINC000600767264 355565551 /nfs/dbraw/zinc/56/55/51/355565551.db2.gz AJEXIRYQJBTGQO-JOYOIKCWSA-N 2 2 260.297 -0.105 20 30 CBEDLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000602547864 355660339 /nfs/dbraw/zinc/66/03/39/355660339.db2.gz SSVZKVUZKQJMKB-VXGBXAGGSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000602547864 355660341 /nfs/dbraw/zinc/66/03/41/355660341.db2.gz SSVZKVUZKQJMKB-VXGBXAGGSA-N 2 2 268.361 -0.156 20 30 CBEDLP C=C(C)C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000602600133 355664812 /nfs/dbraw/zinc/66/48/12/355664812.db2.gz MHWZIOQOYIZVFL-GHMZBOCLSA-N 2 2 271.361 -0.111 20 30 CBEDLP C=C(C)C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000602600136 355664969 /nfs/dbraw/zinc/66/49/69/355664969.db2.gz MHWZIOQOYIZVFL-WDEREUQCSA-N 2 2 271.361 -0.111 20 30 CBEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603910660 355721395 /nfs/dbraw/zinc/72/13/95/355721395.db2.gz XATICADHYKYBLN-RYUDHWBXSA-N 2 2 250.346 -0.100 20 30 CBEDLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(CCC#N)CC2)CC1 ZINC000619780491 356227669 /nfs/dbraw/zinc/22/76/69/356227669.db2.gz QCGOPVHBACLPRV-UHFFFAOYSA-N 2 2 293.415 -0.318 20 30 CBEDLP C[NH+](CC#CC[N@@H+](C)C(C)(C)C(N)=O)C(C)(C)C(N)=O ZINC000625449882 356465845 /nfs/dbraw/zinc/46/58/45/356465845.db2.gz DRNQDVLAPXAHKP-UHFFFAOYSA-N 2 2 282.388 -0.619 20 30 CBEDLP C[NH+](CC#CC[N@H+](C)C(C)(C)C(N)=O)C(C)(C)C(N)=O ZINC000625449882 356465849 /nfs/dbraw/zinc/46/58/49/356465849.db2.gz DRNQDVLAPXAHKP-UHFFFAOYSA-N 2 2 282.388 -0.619 20 30 CBEDLP COCC#CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051747 357633138 /nfs/dbraw/zinc/63/31/38/357633138.db2.gz YQGVJEBHPYASPK-UHFFFAOYSA-N 2 2 253.346 -0.658 20 30 CBEDLP COCC#CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051747 357633140 /nfs/dbraw/zinc/63/31/40/357633140.db2.gz YQGVJEBHPYASPK-UHFFFAOYSA-N 2 2 253.346 -0.658 20 30 CBEDLP CC(C)[NH+](CC#CC[N@H+](CC(N)=O)C(C)C)CC(N)=O ZINC000276362165 193299308 /nfs/dbraw/zinc/29/93/08/193299308.db2.gz YXNFQGBWWUUEAO-UHFFFAOYSA-N 2 2 282.388 -0.619 20 30 CBEDLP CC(C)[NH+](CC#CC[N@@H+](CC(N)=O)C(C)C)CC(N)=O ZINC000276362165 193299310 /nfs/dbraw/zinc/29/93/10/193299310.db2.gz YXNFQGBWWUUEAO-UHFFFAOYSA-N 2 2 282.388 -0.619 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@](C)(CCO)COC)CC1 ZINC000085902954 372773674 /nfs/dbraw/zinc/77/36/74/372773674.db2.gz GLVWZFYBPVAPEX-HNNXBMFYSA-N 2 2 297.399 -0.859 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762826 220194989 /nfs/dbraw/zinc/19/49/89/220194989.db2.gz KAVBKWXKKJPRJS-GFCCVEGCSA-N 2 2 282.388 -0.617 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577368 220203185 /nfs/dbraw/zinc/20/31/85/220203185.db2.gz XZTBNDBORIVMAS-AOOOYVTPSA-N 2 2 252.318 -0.851 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577368 220203190 /nfs/dbraw/zinc/20/31/90/220203190.db2.gz XZTBNDBORIVMAS-AOOOYVTPSA-N 2 2 252.318 -0.851 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113513864 220204139 /nfs/dbraw/zinc/20/41/39/220204139.db2.gz HIODFTZFQNEZAC-NSHDSACASA-N 2 2 268.361 -0.118 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113513864 220204143 /nfs/dbraw/zinc/20/41/43/220204143.db2.gz HIODFTZFQNEZAC-NSHDSACASA-N 2 2 268.361 -0.118 20 30 CBEDLP CC[N@H+](C)C[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000519832389 373825694 /nfs/dbraw/zinc/82/56/94/373825694.db2.gz RIKIYNCFCQUKFX-HNNXBMFYSA-N 2 2 298.431 -0.153 20 30 CBEDLP CC[N@@H+](C)C[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000519832389 373825698 /nfs/dbraw/zinc/82/56/98/373825698.db2.gz RIKIYNCFCQUKFX-HNNXBMFYSA-N 2 2 298.431 -0.153 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253176876 220242809 /nfs/dbraw/zinc/24/28/09/220242809.db2.gz AMFYCKIPZTUTBE-WDEREUQCSA-N 2 2 268.361 -0.085 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253176876 220242813 /nfs/dbraw/zinc/24/28/13/220242813.db2.gz AMFYCKIPZTUTBE-WDEREUQCSA-N 2 2 268.361 -0.085 20 30 CBEDLP C=CCNC(=O)CN1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261703694 220244417 /nfs/dbraw/zinc/24/44/17/220244417.db2.gz CUSOYBNOFFDPJE-HNNXBMFYSA-N 2 2 280.416 -0.094 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261703694 220244419 /nfs/dbraw/zinc/24/44/19/220244419.db2.gz CUSOYBNOFFDPJE-HNNXBMFYSA-N 2 2 280.416 -0.094 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261587836 220244775 /nfs/dbraw/zinc/24/47/75/220244775.db2.gz JSXTWWPEROWBHO-MNOVXSKESA-N 2 2 266.345 -0.461 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261587836 220244778 /nfs/dbraw/zinc/24/47/78/220244778.db2.gz JSXTWWPEROWBHO-MNOVXSKESA-N 2 2 266.345 -0.461 20 30 CBEDLP C=CCn1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nn1 ZINC000644199995 374501641 /nfs/dbraw/zinc/50/16/41/374501641.db2.gz BPCWZFJMVXEAPP-GFCCVEGCSA-N 2 2 293.375 -0.752 20 30 CBEDLP C=CCn1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])nn1 ZINC000644199995 374501646 /nfs/dbraw/zinc/50/16/46/374501646.db2.gz BPCWZFJMVXEAPP-GFCCVEGCSA-N 2 2 293.375 -0.752 20 30 CBEDLP CNC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000303258355 220324879 /nfs/dbraw/zinc/32/48/79/220324879.db2.gz KUZYPHDAVTZSND-LLVKDONJSA-N 2 2 258.391 -0.272 20 30 CBEDLP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[NH+](C)CC2)CC1 ZINC000328842157 220330273 /nfs/dbraw/zinc/33/02/73/220330273.db2.gz UQBGLAVENHEBKR-UHFFFAOYSA-N 2 2 297.403 -0.688 20 30 CBEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000329442930 220338717 /nfs/dbraw/zinc/33/87/17/220338717.db2.gz KMLMROMERSGTJN-CHWSQXEVSA-N 2 2 299.419 -0.934 20 30 CBEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000329442930 220338721 /nfs/dbraw/zinc/33/87/21/220338721.db2.gz KMLMROMERSGTJN-CHWSQXEVSA-N 2 2 299.419 -0.934 20 30 CBEDLP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329442930 220338722 /nfs/dbraw/zinc/33/87/22/220338722.db2.gz KMLMROMERSGTJN-CHWSQXEVSA-N 2 2 299.419 -0.934 20 30 CBEDLP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329442930 220338724 /nfs/dbraw/zinc/33/87/24/220338724.db2.gz KMLMROMERSGTJN-CHWSQXEVSA-N 2 2 299.419 -0.934 20 30 CBEDLP CC[N@H+](C)CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000330749607 220361823 /nfs/dbraw/zinc/36/18/23/220361823.db2.gz UKNQZDWBCMESHP-LBPRGKRZSA-N 2 2 271.409 -0.313 20 30 CBEDLP CC[N@@H+](C)CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000330749607 220361825 /nfs/dbraw/zinc/36/18/25/220361825.db2.gz UKNQZDWBCMESHP-LBPRGKRZSA-N 2 2 271.409 -0.313 20 30 CBEDLP CC[NH+](C)CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330749607 220361827 /nfs/dbraw/zinc/36/18/27/220361827.db2.gz UKNQZDWBCMESHP-LBPRGKRZSA-N 2 2 271.409 -0.313 20 30 CBEDLP CC[NH+](C)CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330749607 220361830 /nfs/dbraw/zinc/36/18/30/220361830.db2.gz UKNQZDWBCMESHP-LBPRGKRZSA-N 2 2 271.409 -0.313 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CCCO)C2)CC1 ZINC000491654412 420312832 /nfs/dbraw/zinc/31/28/32/420312832.db2.gz FBTFLNMIPFORGF-OAHLLOKOSA-N 2 2 293.411 -0.142 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CCCO)C2)CC1 ZINC000491654412 420312834 /nfs/dbraw/zinc/31/28/34/420312834.db2.gz FBTFLNMIPFORGF-OAHLLOKOSA-N 2 2 293.411 -0.142 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000491657321 420313087 /nfs/dbraw/zinc/31/30/87/420313087.db2.gz KJRBSKKPDWLVSK-UHFFFAOYSA-N 2 2 296.415 -0.486 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000491657321 420313093 /nfs/dbraw/zinc/31/30/93/420313093.db2.gz KJRBSKKPDWLVSK-UHFFFAOYSA-N 2 2 296.415 -0.486 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)C[NH+](C)CC(=O)NC(C)C ZINC000491657321 420313098 /nfs/dbraw/zinc/31/30/98/420313098.db2.gz KJRBSKKPDWLVSK-UHFFFAOYSA-N 2 2 296.415 -0.486 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)C[NH+](C)CC(=O)NC(C)C ZINC000491657321 420313102 /nfs/dbraw/zinc/31/31/02/420313102.db2.gz KJRBSKKPDWLVSK-UHFFFAOYSA-N 2 2 296.415 -0.486 20 30 CBEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000518759525 261232446 /nfs/dbraw/zinc/23/24/46/261232446.db2.gz ZIZQEUPTUHQASM-QWHCGFSZSA-N 2 2 254.378 -0.123 20 30 CBEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000518759525 261232447 /nfs/dbraw/zinc/23/24/47/261232447.db2.gz ZIZQEUPTUHQASM-QWHCGFSZSA-N 2 2 254.378 -0.123 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](COC)C2)CC1 ZINC000490739231 332110213 /nfs/dbraw/zinc/11/02/13/332110213.db2.gz CABMYEYYIOHAMP-CQSZACIVSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](COC)C2)CC1 ZINC000490739231 332110214 /nfs/dbraw/zinc/11/02/14/332110214.db2.gz CABMYEYYIOHAMP-CQSZACIVSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000490741280 332111460 /nfs/dbraw/zinc/11/14/60/332111460.db2.gz TXAKNJDBFVCINE-AWEZNQCLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000490741280 332111461 /nfs/dbraw/zinc/11/14/61/332111461.db2.gz TXAKNJDBFVCINE-AWEZNQCLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC[C@@H](C)O)CC1 ZINC000490781164 332115667 /nfs/dbraw/zinc/11/56/67/332115667.db2.gz XNPPELORLSRRSH-CYBMUJFWSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC[C@@H](C)O)CC1 ZINC000490781164 332115669 /nfs/dbraw/zinc/11/56/69/332115669.db2.gz XNPPELORLSRRSH-CYBMUJFWSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000490841440 332119542 /nfs/dbraw/zinc/11/95/42/332119542.db2.gz UWHJYVSABCUGGQ-KGLIPLIRSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000490841537 332119612 /nfs/dbraw/zinc/11/96/12/332119612.db2.gz UWHJYVSABCUGGQ-UONOGXRCSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC2(O)CCC2)CC1 ZINC000490948249 332131999 /nfs/dbraw/zinc/13/19/99/332131999.db2.gz DBXMKJMYRODVPW-UHFFFAOYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC2(O)CCC2)CC1 ZINC000490948249 332132001 /nfs/dbraw/zinc/13/20/01/332132001.db2.gz DBXMKJMYRODVPW-UHFFFAOYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)C2CC2)CC1 ZINC000491022465 332140031 /nfs/dbraw/zinc/14/00/31/332140031.db2.gz RISUQKZIIWKSKC-UHFFFAOYSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)C2CC2)CC1 ZINC000491022465 332140033 /nfs/dbraw/zinc/14/00/33/332140033.db2.gz RISUQKZIIWKSKC-UHFFFAOYSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000491041206 332142123 /nfs/dbraw/zinc/14/21/23/332142123.db2.gz YBHMERIUFQXWFU-ZDUSSCGKSA-N 2 2 277.368 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000491041206 332142124 /nfs/dbraw/zinc/14/21/24/332142124.db2.gz YBHMERIUFQXWFU-ZDUSSCGKSA-N 2 2 277.368 -0.780 20 30 CBEDLP C#CCNC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000491264131 332176387 /nfs/dbraw/zinc/17/63/87/332176387.db2.gz FEKRQFLAUWTETP-CQSZACIVSA-N 2 2 279.384 -0.220 20 30 CBEDLP C#CCNC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000491264131 332176388 /nfs/dbraw/zinc/17/63/88/332176388.db2.gz FEKRQFLAUWTETP-CQSZACIVSA-N 2 2 279.384 -0.220 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2CC)CC1 ZINC000491394492 332203780 /nfs/dbraw/zinc/20/37/80/332203780.db2.gz MOWAOKTVNRRYLQ-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)[C@@H]2C)CC1 ZINC000491513969 332226622 /nfs/dbraw/zinc/22/66/22/332226622.db2.gz FOQBLAQJVCKIJK-GJZGRUSLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)CC1 ZINC000491513969 332226624 /nfs/dbraw/zinc/22/66/24/332226624.db2.gz FOQBLAQJVCKIJK-GJZGRUSLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCO[C@H](CF)C2)CC1 ZINC000491536053 332231693 /nfs/dbraw/zinc/23/16/93/332231693.db2.gz HHYQPZFXWXOUEN-CQSZACIVSA-N 2 2 297.374 -0.176 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCO[C@H](CF)C2)CC1 ZINC000491536053 332231694 /nfs/dbraw/zinc/23/16/94/332231694.db2.gz HHYQPZFXWXOUEN-CQSZACIVSA-N 2 2 297.374 -0.176 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000491624041 332248550 /nfs/dbraw/zinc/24/85/50/332248550.db2.gz IUUWKASOQGACDK-CYBMUJFWSA-N 2 2 267.373 -0.174 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000491624041 332248552 /nfs/dbraw/zinc/24/85/52/332248552.db2.gz IUUWKASOQGACDK-CYBMUJFWSA-N 2 2 267.373 -0.174 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000491635628 332256516 /nfs/dbraw/zinc/25/65/16/332256516.db2.gz RZHYSGCVQOXWLT-ZIAGYGMSSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000491635628 332256517 /nfs/dbraw/zinc/25/65/17/332256517.db2.gz RZHYSGCVQOXWLT-ZIAGYGMSSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@H]2CS3)CC1 ZINC000491770835 332337812 /nfs/dbraw/zinc/33/78/12/332337812.db2.gz NDVPGKSWUWKPDH-STQMWFEESA-N 2 2 279.409 -0.047 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@H]2CS3)CC1 ZINC000491770835 332337813 /nfs/dbraw/zinc/33/78/13/332337813.db2.gz NDVPGKSWUWKPDH-STQMWFEESA-N 2 2 279.409 -0.047 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H](CO)C2)CC1 ZINC000491801563 332355823 /nfs/dbraw/zinc/35/58/23/332355823.db2.gz CXOQUWGRRGBIKT-CABCVRRESA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@H](CO)C2)CC1 ZINC000491801563 332355824 /nfs/dbraw/zinc/35/58/24/332355824.db2.gz CXOQUWGRRGBIKT-CABCVRRESA-N 2 2 293.411 -0.286 20 30 CBEDLP C[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C[NH+]1CCOCC1 ZINC000567605927 334739721 /nfs/dbraw/zinc/73/97/21/334739721.db2.gz LJMQLBQGQNOYJQ-CABCVRRESA-N 2 2 298.431 -0.249 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764464203 582323450 /nfs/dbraw/zinc/32/34/50/582323450.db2.gz BFPRFUZISKRVDI-GJZGRUSLSA-N 2 2 292.427 -0.306 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764464203 582323451 /nfs/dbraw/zinc/32/34/51/582323451.db2.gz BFPRFUZISKRVDI-GJZGRUSLSA-N 2 2 292.427 -0.306 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)CC(=O)OC)CC1 ZINC000770196041 582337949 /nfs/dbraw/zinc/33/79/49/582337949.db2.gz WVAGEDUVAUCLSK-UHFFFAOYSA-N 2 2 295.383 -0.305 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000770337453 582338370 /nfs/dbraw/zinc/33/83/70/582338370.db2.gz NRDYCWXGOYVLIB-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000770337453 582338371 /nfs/dbraw/zinc/33/83/71/582338371.db2.gz NRDYCWXGOYVLIB-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000770337453 582338372 /nfs/dbraw/zinc/33/83/72/582338372.db2.gz NRDYCWXGOYVLIB-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000770337453 582338373 /nfs/dbraw/zinc/33/83/73/582338373.db2.gz NRDYCWXGOYVLIB-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCOCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000772271897 582342881 /nfs/dbraw/zinc/34/28/81/582342881.db2.gz ICTSFVGXPIJOTB-UHFFFAOYSA-N 2 2 253.346 -0.658 20 30 CBEDLP C#CCOCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000772271897 582342882 /nfs/dbraw/zinc/34/28/82/582342882.db2.gz ICTSFVGXPIJOTB-UHFFFAOYSA-N 2 2 253.346 -0.658 20 30 CBEDLP C=C[C@@H](O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000827413479 582815561 /nfs/dbraw/zinc/81/55/61/582815561.db2.gz HAQJEQCKOXWWNH-WCQYABFASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C[C@@H](O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000827413479 582815564 /nfs/dbraw/zinc/81/55/64/582815564.db2.gz HAQJEQCKOXWWNH-WCQYABFASA-N 2 2 267.373 -0.182 20 30 CBEDLP N#CCCNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846876952 583391067 /nfs/dbraw/zinc/39/10/67/583391067.db2.gz BSGPCVZFHVKHBW-UHFFFAOYSA-N 2 2 262.317 -0.438 20 30 CBEDLP C#CCOCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000852210635 583540892 /nfs/dbraw/zinc/54/08/92/583540892.db2.gz JCYHOEGEVRFYBJ-UHFFFAOYSA-N 2 2 253.346 -0.658 20 30 CBEDLP C#CCOCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000852210635 583540894 /nfs/dbraw/zinc/54/08/94/583540894.db2.gz JCYHOEGEVRFYBJ-UHFFFAOYSA-N 2 2 253.346 -0.658 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2COCCO2)CC1 ZINC000852497031 583547690 /nfs/dbraw/zinc/54/76/90/583547690.db2.gz UWNGAYXRDUHEJN-AWEZNQCLSA-N 2 2 295.383 -0.889 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2COCCO2)CC1 ZINC000852497031 583547691 /nfs/dbraw/zinc/54/76/91/583547691.db2.gz UWNGAYXRDUHEJN-AWEZNQCLSA-N 2 2 295.383 -0.889 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3COC[C@]3(C)C2)CC1 ZINC000852535393 583548366 /nfs/dbraw/zinc/54/83/66/583548366.db2.gz ZSFKOPVCYQOVIS-HOCLYGCPSA-N 2 2 291.395 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3COC[C@]3(C)C2)CC1 ZINC000852535393 583548367 /nfs/dbraw/zinc/54/83/67/583548367.db2.gz ZSFKOPVCYQOVIS-HOCLYGCPSA-N 2 2 291.395 -0.268 20 30 CBEDLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852865421 583564158 /nfs/dbraw/zinc/56/41/58/583564158.db2.gz BWCGLJHDTUTMKG-CYBMUJFWSA-N 2 2 279.384 -0.174 20 30 CBEDLP C[C@@H]1COCC[N@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852865421 583564159 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C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000884251125 584370140 /nfs/dbraw/zinc/37/01/40/584370140.db2.gz WBSOTNUWGQESHT-SMDDNHRTSA-N 2 2 281.356 -0.355 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1(C)CC[NH2+]CC1 ZINC000884269889 584371328 /nfs/dbraw/zinc/37/13/28/584371328.db2.gz AYJVQWZNYJUGER-JTQLQIEISA-N 2 2 269.345 -0.309 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000884276284 584371679 /nfs/dbraw/zinc/37/16/79/584371679.db2.gz LBLDBHDJGDDVKC-AXFHLTTASA-N 2 2 267.329 -0.889 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000884293936 584372502 /nfs/dbraw/zinc/37/25/02/584372502.db2.gz OTESYTSYUDQVNK-SRVKXCTJSA-N 2 2 281.356 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000884341540 584375410 /nfs/dbraw/zinc/37/54/10/584375410.db2.gz ZSTASJBTMHHVLH-WOPDTQHZSA-N 2 2 283.372 -0.124 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000884422483 584380691 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C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900812333 584828784 /nfs/dbraw/zinc/82/87/84/584828784.db2.gz VDZWFWZQSHIHSP-STQMWFEESA-N 2 2 268.405 -0.145 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900812333 584828786 /nfs/dbraw/zinc/82/87/86/584828786.db2.gz VDZWFWZQSHIHSP-STQMWFEESA-N 2 2 268.405 -0.145 20 30 CBEDLP N#CC1CCC(C[N@H+](CC[NH3+])C[C@H](O)CO)CC1 ZINC000903463460 584890887 /nfs/dbraw/zinc/89/08/87/584890887.db2.gz BQKWTKCTHLJNNT-BPCQOVAHSA-N 2 2 255.362 -0.070 20 30 CBEDLP N#CC1CCC(C[N@@H+](CC[NH3+])C[C@H](O)CO)CC1 ZINC000903463460 584890888 /nfs/dbraw/zinc/89/08/88/584890888.db2.gz BQKWTKCTHLJNNT-BPCQOVAHSA-N 2 2 255.362 -0.070 20 30 CBEDLP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980893192 613003977 /nfs/dbraw/zinc/00/39/77/613003977.db2.gz HZFMCWYDZIPGBQ-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893192 613003978 /nfs/dbraw/zinc/00/39/78/613003978.db2.gz 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C#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005210765 656896564 /nfs/dbraw/zinc/89/65/64/656896564.db2.gz XTSJOJKJLPPRQT-CQSZACIVSA-N 2 2 279.384 -0.127 20 30 CBEDLP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010437331 657186824 /nfs/dbraw/zinc/18/68/24/657186824.db2.gz WCGIZDCLEIKHTM-NEPJUHHUSA-N 2 2 253.346 -0.307 20 30 CBEDLP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010437331 657186829 /nfs/dbraw/zinc/18/68/29/657186829.db2.gz WCGIZDCLEIKHTM-NEPJUHHUSA-N 2 2 253.346 -0.307 20 30 CBEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010437331 657186835 /nfs/dbraw/zinc/18/68/35/657186835.db2.gz WCGIZDCLEIKHTM-NEPJUHHUSA-N 2 2 253.346 -0.307 20 30 CBEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010437331 657186839 /nfs/dbraw/zinc/18/68/39/657186839.db2.gz WCGIZDCLEIKHTM-NEPJUHHUSA-N 2 2 253.346 -0.307 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001014779425 657381998 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CBEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014921252 657391116 /nfs/dbraw/zinc/39/11/16/657391116.db2.gz UGEMRSIXJKXCFC-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014921252 657391119 /nfs/dbraw/zinc/39/11/19/657391119.db2.gz UGEMRSIXJKXCFC-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015608738 657474425 /nfs/dbraw/zinc/47/44/25/657474425.db2.gz SUEHYQGJFVWDTK-KBPBESRZSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015608738 657474438 /nfs/dbraw/zinc/47/44/38/657474438.db2.gz SUEHYQGJFVWDTK-KBPBESRZSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015608738 657474451 /nfs/dbraw/zinc/47/44/51/657474451.db2.gz SUEHYQGJFVWDTK-KBPBESRZSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015608738 657474458 /nfs/dbraw/zinc/47/44/58/657474458.db2.gz SUEHYQGJFVWDTK-KBPBESRZSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001016552172 657717696 /nfs/dbraw/zinc/71/76/96/657717696.db2.gz IYXOHEJMUQFNCY-KGLIPLIRSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001016552172 657717710 /nfs/dbraw/zinc/71/77/10/657717710.db2.gz IYXOHEJMUQFNCY-KGLIPLIRSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001021075873 658146172 /nfs/dbraw/zinc/14/61/72/658146172.db2.gz PXQDRFVISZCXFL-RBSFLKMASA-N 2 2 291.395 -0.033 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000923576201 658335934 /nfs/dbraw/zinc/33/59/34/658335934.db2.gz PJZQGQGFFNELFM-LSDHHAIUSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000923576201 658335942 /nfs/dbraw/zinc/33/59/42/658335942.db2.gz PJZQGQGFFNELFM-LSDHHAIUSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076812947 805629411 /nfs/dbraw/zinc/62/94/11/805629411.db2.gz YPJYDUFONFOSQB-FRRDWIJNSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076812947 805629414 /nfs/dbraw/zinc/62/94/14/805629414.db2.gz YPJYDUFONFOSQB-FRRDWIJNSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076812947 805629418 /nfs/dbraw/zinc/62/94/18/805629418.db2.gz YPJYDUFONFOSQB-FRRDWIJNSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076812947 805629424 /nfs/dbraw/zinc/62/94/24/805629424.db2.gz YPJYDUFONFOSQB-FRRDWIJNSA-N 2 2 265.357 -0.735 20 30 CBEDLP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076837177 805636559 /nfs/dbraw/zinc/63/65/59/805636559.db2.gz RANGSUOMGGSOAR-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076837177 805636563 /nfs/dbraw/zinc/63/65/63/805636563.db2.gz RANGSUOMGGSOAR-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076837177 805636568 /nfs/dbraw/zinc/63/65/68/805636568.db2.gz RANGSUOMGGSOAR-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076837177 805636572 /nfs/dbraw/zinc/63/65/72/805636572.db2.gz RANGSUOMGGSOAR-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007700 805671992 /nfs/dbraw/zinc/67/19/92/805671992.db2.gz YNQAMWSOMJCXFS-BFHYXJOUSA-N 2 2 277.368 -0.877 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077007700 805671996 /nfs/dbraw/zinc/67/19/96/805671996.db2.gz YNQAMWSOMJCXFS-BFHYXJOUSA-N 2 2 277.368 -0.877 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001077091343 805684057 /nfs/dbraw/zinc/68/40/57/805684057.db2.gz WHUODROEISMFKG-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001077091343 805684062 /nfs/dbraw/zinc/68/40/62/805684062.db2.gz WHUODROEISMFKG-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001077091343 805684065 /nfs/dbraw/zinc/68/40/65/805684065.db2.gz WHUODROEISMFKG-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001077091343 805684070 /nfs/dbraw/zinc/68/40/70/805684070.db2.gz WHUODROEISMFKG-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444236 805730006 /nfs/dbraw/zinc/73/00/06/805730006.db2.gz QMJJPJINGIXZMU-KFWWJZLASA-N 2 2 291.395 -0.345 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077444236 805730014 /nfs/dbraw/zinc/73/00/14/805730014.db2.gz QMJJPJINGIXZMU-KFWWJZLASA-N 2 2 291.395 -0.345 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001077553700 805746993 /nfs/dbraw/zinc/74/69/93/805746993.db2.gz OTFABXCCMPBJGV-RBSFLKMASA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553700 805746998 /nfs/dbraw/zinc/74/69/98/805746998.db2.gz OTFABXCCMPBJGV-RBSFLKMASA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001077553700 805747000 /nfs/dbraw/zinc/74/70/00/805747000.db2.gz OTFABXCCMPBJGV-RBSFLKMASA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001077553700 805747007 /nfs/dbraw/zinc/74/70/07/805747007.db2.gz OTFABXCCMPBJGV-RBSFLKMASA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077888507 805802746 /nfs/dbraw/zinc/80/27/46/805802746.db2.gz 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C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001078209997 805859893 /nfs/dbraw/zinc/85/98/93/805859893.db2.gz QPTMFYXTTIJAJF-JHJVBQTASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001078209997 805859897 /nfs/dbraw/zinc/85/98/97/805859897.db2.gz QPTMFYXTTIJAJF-JHJVBQTASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078209997 805859907 /nfs/dbraw/zinc/85/99/07/805859907.db2.gz QPTMFYXTTIJAJF-JHJVBQTASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078209997 805859917 /nfs/dbraw/zinc/85/99/17/805859917.db2.gz QPTMFYXTTIJAJF-JHJVBQTASA-N 2 2 283.372 -0.946 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270860 805863926 /nfs/dbraw/zinc/86/39/26/805863926.db2.gz UTBRPNNWLYEAQY-VXGBXAGGSA-N 2 2 262.313 -0.932 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270860 805863935 /nfs/dbraw/zinc/86/39/35/805863935.db2.gz UTBRPNNWLYEAQY-VXGBXAGGSA-N 2 2 262.313 -0.932 20 30 CBEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079527012 805923543 /nfs/dbraw/zinc/92/35/43/805923543.db2.gz ZGANHDMGUQNJCZ-UPJWGTAASA-N 2 2 267.373 -0.061 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079527012 805923549 /nfs/dbraw/zinc/92/35/49/805923549.db2.gz ZGANHDMGUQNJCZ-UPJWGTAASA-N 2 2 267.373 -0.061 20 30 CBEDLP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079527012 805923553 /nfs/dbraw/zinc/92/35/53/805923553.db2.gz ZGANHDMGUQNJCZ-UPJWGTAASA-N 2 2 267.373 -0.061 20 30 CBEDLP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079527012 805923560 /nfs/dbraw/zinc/92/35/60/805923560.db2.gz ZGANHDMGUQNJCZ-UPJWGTAASA-N 2 2 267.373 -0.061 20 30 CBEDLP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001080979187 806020330 /nfs/dbraw/zinc/02/03/30/806020330.db2.gz FOBQXHITKGMLME-MCIONIFRSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001080979187 806020339 /nfs/dbraw/zinc/02/03/39/806020339.db2.gz FOBQXHITKGMLME-MCIONIFRSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080979187 806020349 /nfs/dbraw/zinc/02/03/49/806020349.db2.gz FOBQXHITKGMLME-MCIONIFRSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080979187 806020356 /nfs/dbraw/zinc/02/03/56/806020356.db2.gz FOBQXHITKGMLME-MCIONIFRSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081435548 806080911 /nfs/dbraw/zinc/08/09/11/806080911.db2.gz XEWMIIWGJJVLNP-JHJVBQTASA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081435548 806080920 /nfs/dbraw/zinc/08/09/20/806080920.db2.gz XEWMIIWGJJVLNP-JHJVBQTASA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081435548 806080928 /nfs/dbraw/zinc/08/09/28/806080928.db2.gz XEWMIIWGJJVLNP-JHJVBQTASA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081435548 806080938 /nfs/dbraw/zinc/08/09/38/806080938.db2.gz XEWMIIWGJJVLNP-JHJVBQTASA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081446388 806083687 /nfs/dbraw/zinc/08/36/87/806083687.db2.gz ZBKGCPJWGJERJF-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081446388 806083697 /nfs/dbraw/zinc/08/36/97/806083697.db2.gz ZBKGCPJWGJERJF-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081446388 806083707 /nfs/dbraw/zinc/08/37/07/806083707.db2.gz ZBKGCPJWGJERJF-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081446388 806083717 /nfs/dbraw/zinc/08/37/17/806083717.db2.gz ZBKGCPJWGJERJF-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481389 806086783 /nfs/dbraw/zinc/08/67/83/806086783.db2.gz GLNULCGCLKKHSM-MGPQQGTHSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481389 806086792 /nfs/dbraw/zinc/08/67/92/806086792.db2.gz GLNULCGCLKKHSM-MGPQQGTHSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481389 806086802 /nfs/dbraw/zinc/08/68/02/806086802.db2.gz GLNULCGCLKKHSM-MGPQQGTHSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481389 806086811 /nfs/dbraw/zinc/08/68/11/806086811.db2.gz GLNULCGCLKKHSM-MGPQQGTHSA-N 2 2 297.399 -0.292 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370410 806170472 /nfs/dbraw/zinc/17/04/72/806170472.db2.gz GPDOGBNRRIIVBZ-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370410 806170477 /nfs/dbraw/zinc/17/04/77/806170477.db2.gz GPDOGBNRRIIVBZ-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082395009 806173974 /nfs/dbraw/zinc/17/39/74/806173974.db2.gz QSRYHWQAXHGOMB-CHWSQXEVSA-N 2 2 276.340 -0.278 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082395009 806173977 /nfs/dbraw/zinc/17/39/77/806173977.db2.gz QSRYHWQAXHGOMB-CHWSQXEVSA-N 2 2 276.340 -0.278 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083368089 806287639 /nfs/dbraw/zinc/28/76/39/806287639.db2.gz CLHIQIXKXUUBQA-AGIUHOORSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083368089 806287645 /nfs/dbraw/zinc/28/76/45/806287645.db2.gz CLHIQIXKXUUBQA-AGIUHOORSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083368089 806287650 /nfs/dbraw/zinc/28/76/50/806287650.db2.gz CLHIQIXKXUUBQA-AGIUHOORSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083368089 806287654 /nfs/dbraw/zinc/28/76/54/806287654.db2.gz CLHIQIXKXUUBQA-AGIUHOORSA-N 2 2 267.373 -0.182 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372677 806288313 /nfs/dbraw/zinc/28/83/13/806288313.db2.gz AJJSWCIWEFLRSA-UPJWGTAASA-N 2 2 265.357 -0.735 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372677 806288322 /nfs/dbraw/zinc/28/83/22/806288322.db2.gz AJJSWCIWEFLRSA-UPJWGTAASA-N 2 2 265.357 -0.735 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083372677 806288326 /nfs/dbraw/zinc/28/83/26/806288326.db2.gz AJJSWCIWEFLRSA-UPJWGTAASA-N 2 2 265.357 -0.735 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083372677 806288336 /nfs/dbraw/zinc/28/83/36/806288336.db2.gz AJJSWCIWEFLRSA-UPJWGTAASA-N 2 2 265.357 -0.735 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573372 806370927 /nfs/dbraw/zinc/37/09/27/806370927.db2.gz HCZNRLXUVNIFAN-AGIUHOORSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573372 806370937 /nfs/dbraw/zinc/37/09/37/806370937.db2.gz HCZNRLXUVNIFAN-AGIUHOORSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573372 806370947 /nfs/dbraw/zinc/37/09/47/806370947.db2.gz HCZNRLXUVNIFAN-AGIUHOORSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573372 806370957 /nfs/dbraw/zinc/37/09/57/806370957.db2.gz HCZNRLXUVNIFAN-AGIUHOORSA-N 2 2 267.373 -0.182 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781531 806430173 /nfs/dbraw/zinc/43/01/73/806430173.db2.gz LDPOUZYXYSHAKV-MJBXVCDLSA-N 2 2 279.384 -0.487 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781531 806430179 /nfs/dbraw/zinc/43/01/79/806430179.db2.gz LDPOUZYXYSHAKV-MJBXVCDLSA-N 2 2 279.384 -0.487 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781531 806430186 /nfs/dbraw/zinc/43/01/86/806430186.db2.gz LDPOUZYXYSHAKV-MJBXVCDLSA-N 2 2 279.384 -0.487 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781531 806430190 /nfs/dbraw/zinc/43/01/90/806430190.db2.gz LDPOUZYXYSHAKV-MJBXVCDLSA-N 2 2 279.384 -0.487 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778305 806430697 /nfs/dbraw/zinc/43/06/97/806430697.db2.gz IANQYCPSNYFLAZ-XQQFMLRXSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778305 806430705 /nfs/dbraw/zinc/43/07/05/806430705.db2.gz IANQYCPSNYFLAZ-XQQFMLRXSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778305 806430712 /nfs/dbraw/zinc/43/07/12/806430712.db2.gz IANQYCPSNYFLAZ-XQQFMLRXSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778305 806430717 /nfs/dbraw/zinc/43/07/17/806430717.db2.gz IANQYCPSNYFLAZ-XQQFMLRXSA-N 2 2 267.373 -0.182 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887978 806455092 /nfs/dbraw/zinc/45/50/92/806455092.db2.gz UUJMPOWHLAGMEO-CABCVRRESA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887978 806455097 /nfs/dbraw/zinc/45/50/97/806455097.db2.gz UUJMPOWHLAGMEO-CABCVRRESA-N 2 2 293.411 -0.097 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060115 806483236 /nfs/dbraw/zinc/48/32/36/806483236.db2.gz HYTUQMJGQJUVLZ-OLZOCXBDSA-N 2 2 276.340 -0.624 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084060115 806483243 /nfs/dbraw/zinc/48/32/43/806483243.db2.gz HYTUQMJGQJUVLZ-OLZOCXBDSA-N 2 2 276.340 -0.624 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084252186 806507163 /nfs/dbraw/zinc/50/71/63/806507163.db2.gz LXSSOECUEMWWMQ-RBSFLKMASA-N 2 2 291.395 -0.127 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084252186 806507167 /nfs/dbraw/zinc/50/71/67/806507167.db2.gz LXSSOECUEMWWMQ-RBSFLKMASA-N 2 2 291.395 -0.127 20 30 CBEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084252186 806507173 /nfs/dbraw/zinc/50/71/73/806507173.db2.gz LXSSOECUEMWWMQ-RBSFLKMASA-N 2 2 291.395 -0.127 20 30 CBEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084252186 806507178 /nfs/dbraw/zinc/50/71/78/806507178.db2.gz LXSSOECUEMWWMQ-RBSFLKMASA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCO ZINC001085646660 806588867 /nfs/dbraw/zinc/58/88/67/806588867.db2.gz LNQIMMVMQGWYCA-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCO ZINC001085646660 806588872 /nfs/dbraw/zinc/58/88/72/806588872.db2.gz LNQIMMVMQGWYCA-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCO ZINC001085646660 806588877 /nfs/dbraw/zinc/58/88/77/806588877.db2.gz LNQIMMVMQGWYCA-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCO ZINC001085646660 806588883 /nfs/dbraw/zinc/58/88/83/806588883.db2.gz LNQIMMVMQGWYCA-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085983121 806629855 /nfs/dbraw/zinc/62/98/55/806629855.db2.gz ZIQDVNCDNVKDDW-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085983121 806629859 /nfs/dbraw/zinc/62/98/59/806629859.db2.gz ZIQDVNCDNVKDDW-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085983121 806629861 /nfs/dbraw/zinc/62/98/61/806629861.db2.gz ZIQDVNCDNVKDDW-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085983121 806629862 /nfs/dbraw/zinc/62/98/62/806629862.db2.gz ZIQDVNCDNVKDDW-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C=CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765528 799541772 /nfs/dbraw/zinc/54/17/72/799541772.db2.gz INXIDVVLEZAWEU-DGCLKSJQSA-N 2 2 267.373 -0.061 20 30 CBEDLP C=CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765528 799541774 /nfs/dbraw/zinc/54/17/74/799541774.db2.gz INXIDVVLEZAWEU-DGCLKSJQSA-N 2 2 267.373 -0.061 20 30 CBEDLP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001031765133 799542814 /nfs/dbraw/zinc/54/28/14/799542814.db2.gz BJEBYASZQSIGFM-TZMCWYRMSA-N 2 2 279.384 -0.223 20 30 CBEDLP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001031765133 799542815 /nfs/dbraw/zinc/54/28/15/799542815.db2.gz BJEBYASZQSIGFM-TZMCWYRMSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001033679856 799780846 /nfs/dbraw/zinc/78/08/46/799780846.db2.gz MHDKCGDKWLHTJY-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001033679856 799780850 /nfs/dbraw/zinc/78/08/50/799780850.db2.gz MHDKCGDKWLHTJY-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033679856 799780853 /nfs/dbraw/zinc/78/08/53/799780853.db2.gz MHDKCGDKWLHTJY-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033679856 799780858 /nfs/dbraw/zinc/78/08/58/799780858.db2.gz MHDKCGDKWLHTJY-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001033782088 799789091 /nfs/dbraw/zinc/78/90/91/799789091.db2.gz ZCFZAZNBPDXSIN-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001033782088 799789094 /nfs/dbraw/zinc/78/90/94/799789094.db2.gz ZCFZAZNBPDXSIN-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001033782088 799789098 /nfs/dbraw/zinc/78/90/98/799789098.db2.gz ZCFZAZNBPDXSIN-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001033782088 799789099 /nfs/dbraw/zinc/78/90/99/799789099.db2.gz ZCFZAZNBPDXSIN-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034149536 799817029 /nfs/dbraw/zinc/81/70/29/799817029.db2.gz XWCBGAILGNHPRV-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034149536 799817036 /nfs/dbraw/zinc/81/70/36/799817036.db2.gz XWCBGAILGNHPRV-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149536 799817043 /nfs/dbraw/zinc/81/70/43/799817043.db2.gz XWCBGAILGNHPRV-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149536 799817050 /nfs/dbraw/zinc/81/70/50/799817050.db2.gz XWCBGAILGNHPRV-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035599830 799950951 /nfs/dbraw/zinc/95/09/51/799950951.db2.gz MFDGZFAGYCAKFA-STQMWFEESA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001035599830 799950954 /nfs/dbraw/zinc/95/09/54/799950954.db2.gz MFDGZFAGYCAKFA-STQMWFEESA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035599830 799950963 /nfs/dbraw/zinc/95/09/63/799950963.db2.gz MFDGZFAGYCAKFA-STQMWFEESA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035599830 799950968 /nfs/dbraw/zinc/95/09/68/799950968.db2.gz MFDGZFAGYCAKFA-STQMWFEESA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035599826 799951922 /nfs/dbraw/zinc/95/19/22/799951922.db2.gz MFDGZFAGYCAKFA-CHWSQXEVSA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001035599826 799951929 /nfs/dbraw/zinc/95/19/29/799951929.db2.gz MFDGZFAGYCAKFA-CHWSQXEVSA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035599826 799951932 /nfs/dbraw/zinc/95/19/32/799951932.db2.gz MFDGZFAGYCAKFA-CHWSQXEVSA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035599826 799951940 /nfs/dbraw/zinc/95/19/40/799951940.db2.gz MFDGZFAGYCAKFA-CHWSQXEVSA-N 2 2 267.373 -0.059 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039047801 801284125 /nfs/dbraw/zinc/28/41/25/801284125.db2.gz QSIABJVXVCBKTL-STQMWFEESA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039047801 801284126 /nfs/dbraw/zinc/28/41/26/801284126.db2.gz QSIABJVXVCBKTL-STQMWFEESA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039047801 801284129 /nfs/dbraw/zinc/28/41/29/801284129.db2.gz QSIABJVXVCBKTL-STQMWFEESA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039047801 801284131 /nfs/dbraw/zinc/28/41/31/801284131.db2.gz QSIABJVXVCBKTL-STQMWFEESA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043070116 801537632 /nfs/dbraw/zinc/53/76/32/801537632.db2.gz KBRUTESHPSRUHW-TZMCWYRMSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043070116 801537640 /nfs/dbraw/zinc/53/76/40/801537640.db2.gz KBRUTESHPSRUHW-TZMCWYRMSA-N 2 2 279.384 -0.129 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047333965 801840469 /nfs/dbraw/zinc/84/04/69/801840469.db2.gz VFBHJJBZEWMMMC-IHRRRGAJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047333965 801840475 /nfs/dbraw/zinc/84/04/75/801840475.db2.gz VFBHJJBZEWMMMC-IHRRRGAJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001047333965 801840477 /nfs/dbraw/zinc/84/04/77/801840477.db2.gz VFBHJJBZEWMMMC-IHRRRGAJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001047333965 801840483 /nfs/dbraw/zinc/84/04/83/801840483.db2.gz VFBHJJBZEWMMMC-IHRRRGAJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001047380260 801859546 /nfs/dbraw/zinc/85/95/46/801859546.db2.gz GZPQXFSSVSPVJE-ILXRZTDVSA-N 2 2 293.411 -0.004 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047380260 801859554 /nfs/dbraw/zinc/85/95/54/801859554.db2.gz GZPQXFSSVSPVJE-ILXRZTDVSA-N 2 2 293.411 -0.004 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047380260 801859563 /nfs/dbraw/zinc/85/95/63/801859563.db2.gz GZPQXFSSVSPVJE-ILXRZTDVSA-N 2 2 293.411 -0.004 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047380260 801859571 /nfs/dbraw/zinc/85/95/71/801859571.db2.gz GZPQXFSSVSPVJE-ILXRZTDVSA-N 2 2 293.411 -0.004 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047483257 801882567 /nfs/dbraw/zinc/88/25/67/801882567.db2.gz FFLGXMHAGHKPCU-KBPBESRZSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047483257 801882572 /nfs/dbraw/zinc/88/25/72/801882572.db2.gz FFLGXMHAGHKPCU-KBPBESRZSA-N 2 2 293.411 -0.003 20 30 CBEDLP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001047635497 801913844 /nfs/dbraw/zinc/91/38/44/801913844.db2.gz XPRXKGKQIAZFKD-MELADBBJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001047635497 801913847 /nfs/dbraw/zinc/91/38/47/801913847.db2.gz XPRXKGKQIAZFKD-MELADBBJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001047635497 801913850 /nfs/dbraw/zinc/91/38/50/801913850.db2.gz XPRXKGKQIAZFKD-MELADBBJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001047635497 801913854 /nfs/dbraw/zinc/91/38/54/801913854.db2.gz XPRXKGKQIAZFKD-MELADBBJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047647914 801917938 /nfs/dbraw/zinc/91/79/38/801917938.db2.gz QEDPDKFPYJQKFF-RYUDHWBXSA-N 2 2 264.329 -0.427 20 30 CBEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047647914 801917944 /nfs/dbraw/zinc/91/79/44/801917944.db2.gz QEDPDKFPYJQKFF-RYUDHWBXSA-N 2 2 264.329 -0.427 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001321661475 803797419 /nfs/dbraw/zinc/79/74/19/803797419.db2.gz MEFNEYDNDFDRBU-MNOVXSKESA-N 2 2 293.371 -0.263 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090431626 810497862 /nfs/dbraw/zinc/49/78/62/810497862.db2.gz AOCQSJYHCOOAIT-ZIAGYGMSSA-N 2 2 290.367 -0.234 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090431626 810497865 /nfs/dbraw/zinc/49/78/65/810497865.db2.gz AOCQSJYHCOOAIT-ZIAGYGMSSA-N 2 2 290.367 -0.234 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090435780 810499255 /nfs/dbraw/zinc/49/92/55/810499255.db2.gz KNECMHXPYLTOGZ-CHWSQXEVSA-N 2 2 276.340 -0.624 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090435780 810499259 /nfs/dbraw/zinc/49/92/59/810499259.db2.gz KNECMHXPYLTOGZ-CHWSQXEVSA-N 2 2 276.340 -0.624 20 30 CBEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090593508 810530052 /nfs/dbraw/zinc/53/00/52/810530052.db2.gz FFJGPJOTKPCRBF-VXGBXAGGSA-N 2 2 264.329 -0.310 20 30 CBEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090593508 810530058 /nfs/dbraw/zinc/53/00/58/810530058.db2.gz FFJGPJOTKPCRBF-VXGBXAGGSA-N 2 2 264.329 -0.310 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090674792 810546334 /nfs/dbraw/zinc/54/63/34/810546334.db2.gz ZZHHTRJREPVUKN-HUUCEWRRSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090674792 810546341 /nfs/dbraw/zinc/54/63/41/810546341.db2.gz ZZHHTRJREPVUKN-HUUCEWRRSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090677990 810549674 /nfs/dbraw/zinc/54/96/74/810549674.db2.gz CSCZUPSQKXXTQH-NWDGAFQWSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090677990 810549681 /nfs/dbraw/zinc/54/96/81/810549681.db2.gz CSCZUPSQKXXTQH-NWDGAFQWSA-N 2 2 276.340 -0.473 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090814029 810569316 /nfs/dbraw/zinc/56/93/16/810569316.db2.gz HXZAMBSQRBDJCA-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090814029 810569327 /nfs/dbraw/zinc/56/93/27/810569327.db2.gz HXZAMBSQRBDJCA-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847127 810575396 /nfs/dbraw/zinc/57/53/96/810575396.db2.gz NUVCFMSJPDPHRP-NEPJUHHUSA-N 2 2 262.313 -0.932 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847127 810575402 /nfs/dbraw/zinc/57/54/02/810575402.db2.gz NUVCFMSJPDPHRP-NEPJUHHUSA-N 2 2 262.313 -0.932 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001098772655 810857052 /nfs/dbraw/zinc/85/70/52/810857052.db2.gz XJBYYTGCTKFCKH-DZKIICNBSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001098772655 810857057 /nfs/dbraw/zinc/85/70/57/810857057.db2.gz XJBYYTGCTKFCKH-DZKIICNBSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098772655 810857064 /nfs/dbraw/zinc/85/70/64/810857064.db2.gz XJBYYTGCTKFCKH-DZKIICNBSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098772655 810857070 /nfs/dbraw/zinc/85/70/70/810857070.db2.gz XJBYYTGCTKFCKH-DZKIICNBSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940460 810972214 /nfs/dbraw/zinc/97/22/14/810972214.db2.gz VWYSPRPRZXVLPU-ZIAGYGMSSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940460 810972222 /nfs/dbraw/zinc/97/22/22/810972222.db2.gz VWYSPRPRZXVLPU-ZIAGYGMSSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940150 810972381 /nfs/dbraw/zinc/97/23/81/810972381.db2.gz QXMYCIIZDCRQHA-OLZOCXBDSA-N 2 2 276.340 -0.542 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940150 810972386 /nfs/dbraw/zinc/97/23/86/810972386.db2.gz QXMYCIIZDCRQHA-OLZOCXBDSA-N 2 2 276.340 -0.542 20 30 CBEDLP CC1(C#N)CN(C(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001157694052 815453681 /nfs/dbraw/zinc/45/36/81/815453681.db2.gz LPMBHFIPTJGWHK-NSHDSACASA-N 2 2 265.361 -0.891 20 30 CBEDLP COc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1C#N ZINC001158203873 815512915 /nfs/dbraw/zinc/51/29/15/815512915.db2.gz ITITXEMKQDFHFJ-SECBINFHSA-N 2 2 274.284 -0.595 20 30 CBEDLP Cc1nc(C#N)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206632 815513611 /nfs/dbraw/zinc/51/36/11/815513611.db2.gz WPABBNZZADYCPU-SECBINFHSA-N 2 2 258.285 -0.296 20 30 CBEDLP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118545249 812571795 /nfs/dbraw/zinc/57/17/95/812571795.db2.gz MLNUTKIOPTXAIC-STQMWFEESA-N 2 2 280.372 -0.059 20 30 CBEDLP CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001120517195 812979572 /nfs/dbraw/zinc/97/95/72/812979572.db2.gz XTTWZQZWQHXBSS-AAEUAGOBSA-N 2 2 263.345 -0.396 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437035 813648792 /nfs/dbraw/zinc/64/87/92/813648792.db2.gz SKDXYIBPQLOXIB-UHFFFAOYSA-N 2 2 264.329 -0.302 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001129771474 813863014 /nfs/dbraw/zinc/86/30/14/813863014.db2.gz YBMAWKNYCPDLQO-LBPRGKRZSA-N 2 2 293.396 -0.159 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnns1 ZINC001129771474 813863022 /nfs/dbraw/zinc/86/30/22/813863022.db2.gz YBMAWKNYCPDLQO-LBPRGKRZSA-N 2 2 293.396 -0.159 20 30 CBEDLP C#CC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131611017 814045601 /nfs/dbraw/zinc/04/56/01/814045601.db2.gz RYMYGPYRPQSJQB-KGLIPLIRSA-N 2 2 295.383 -0.795 20 30 CBEDLP C#CC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001131822111 814070669 /nfs/dbraw/zinc/07/06/69/814070669.db2.gz JKTHIHOFPXYAEM-ZDUSSCGKSA-N 2 2 267.373 -0.174 20 30 CBEDLP C#CC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001131822111 814070676 /nfs/dbraw/zinc/07/06/76/814070676.db2.gz JKTHIHOFPXYAEM-ZDUSSCGKSA-N 2 2 267.373 -0.174 20 30 CBEDLP C=C(C)C[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255527 814234244 /nfs/dbraw/zinc/23/42/44/814234244.db2.gz QXAJJCUBCHNWKH-ZDUSSCGKSA-N 2 2 293.371 -0.261 20 30 CBEDLP C=C(C)C[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133255527 814234247 /nfs/dbraw/zinc/23/42/47/814234247.db2.gz QXAJJCUBCHNWKH-ZDUSSCGKSA-N 2 2 293.371 -0.261 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001136672339 814567663 /nfs/dbraw/zinc/56/76/63/814567663.db2.gz KELUADQRIBLDCQ-NSHDSACASA-N 2 2 268.361 -0.830 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001136672339 814567669 /nfs/dbraw/zinc/56/76/69/814567669.db2.gz KELUADQRIBLDCQ-NSHDSACASA-N 2 2 268.361 -0.830 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001160437333 815621875 /nfs/dbraw/zinc/62/18/75/815621875.db2.gz SGMQDBUQGHNNRX-NSHDSACASA-N 3 2 272.418 -0.664 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC001160437430 815622734 /nfs/dbraw/zinc/62/27/34/815622734.db2.gz VRLQNRMLAUPIGT-JSGCOSHPSA-N 2 2 296.415 -0.194 20 30 CBEDLP C#C[C@](C)([NH3+])C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001161175739 815724581 /nfs/dbraw/zinc/72/45/81/815724581.db2.gz OPEUEXKCJLDSDE-AWEZNQCLSA-N 2 2 267.373 -0.358 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001293092349 816503244 /nfs/dbraw/zinc/50/32/44/816503244.db2.gz DJVMJTNSLWKOFJ-LBPRGKRZSA-N 2 2 255.362 -0.059 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001293092349 816503249 /nfs/dbraw/zinc/50/32/49/816503249.db2.gz DJVMJTNSLWKOFJ-LBPRGKRZSA-N 2 2 255.362 -0.059 20 30 CBEDLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC#CC[NH+](C)C ZINC001311903478 816848468 /nfs/dbraw/zinc/84/84/68/816848468.db2.gz XCAOZHMQMHFUHP-CQSZACIVSA-N 2 2 295.431 -0.514 20 30 CBEDLP C#CCN1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001316966454 816909036 /nfs/dbraw/zinc/90/90/36/816909036.db2.gz CQFASESLUAPVQQ-UHFFFAOYSA-N 2 2 266.389 -0.695 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317466766 816989709 /nfs/dbraw/zinc/98/97/09/816989709.db2.gz FZEDUQCFNJPVFK-UHFFFAOYSA-N 2 2 294.399 -0.568 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317466766 816989713 /nfs/dbraw/zinc/98/97/13/816989713.db2.gz FZEDUQCFNJPVFK-UHFFFAOYSA-N 2 2 294.399 -0.568 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001318301854 817095320 /nfs/dbraw/zinc/09/53/20/817095320.db2.gz XLLHXSOIRVGMSP-KGLIPLIRSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001318301854 817095323 /nfs/dbraw/zinc/09/53/23/817095323.db2.gz XLLHXSOIRVGMSP-KGLIPLIRSA-N 2 2 279.384 -0.222 20 30 CBEDLP N#Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c([N+](=O)[O-])c1 ZINC001169070796 820203000 /nfs/dbraw/zinc/20/30/00/820203000.db2.gz BTDBZJYJLWQKEI-SECBINFHSA-N 2 2 288.267 -0.091 20 30 CBEDLP N#Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc2nc[nH]c21 ZINC001169067347 820203135 /nfs/dbraw/zinc/20/31/35/820203135.db2.gz QQEUAURTJJLCBM-MRVPVSSYSA-N 2 2 283.295 -0.123 20 30 CBEDLP C=CC[NH2+][C@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001283784034 828547845 /nfs/dbraw/zinc/54/78/45/828547845.db2.gz KWANVXVBEUZLPE-NSHDSACASA-N 2 2 266.345 -0.395 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193455381 824028569 /nfs/dbraw/zinc/02/85/69/824028569.db2.gz AYUNMGXFROKVPA-BFHYXJOUSA-N 2 2 299.390 -0.149 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193455381 824028572 /nfs/dbraw/zinc/02/85/72/824028572.db2.gz AYUNMGXFROKVPA-BFHYXJOUSA-N 2 2 299.390 -0.149 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193447918 824028672 /nfs/dbraw/zinc/02/86/72/824028672.db2.gz ZQXPQVRIFDBMBC-JHJVBQTASA-N 2 2 285.363 -0.539 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193447918 824028675 /nfs/dbraw/zinc/02/86/75/824028675.db2.gz ZQXPQVRIFDBMBC-JHJVBQTASA-N 2 2 285.363 -0.539 20 30 CBEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701236 824128263 /nfs/dbraw/zinc/12/82/63/824128263.db2.gz LDVJBQYTLXLUEH-ZIAGYGMSSA-N 2 2 297.399 -0.861 20 30 CBEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701236 824128266 /nfs/dbraw/zinc/12/82/66/824128266.db2.gz LDVJBQYTLXLUEH-ZIAGYGMSSA-N 2 2 297.399 -0.861 20 30 CBEDLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1O ZINC001197535807 824194248 /nfs/dbraw/zinc/19/42/48/824194248.db2.gz DQYUHMNRJIBSOG-ZIAGYGMSSA-N 2 2 297.399 -0.861 20 30 CBEDLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1O ZINC001197535807 824194252 /nfs/dbraw/zinc/19/42/52/824194252.db2.gz DQYUHMNRJIBSOG-ZIAGYGMSSA-N 2 2 297.399 -0.861 20 30 CBEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001197535807 824194255 /nfs/dbraw/zinc/19/42/55/824194255.db2.gz DQYUHMNRJIBSOG-ZIAGYGMSSA-N 2 2 297.399 -0.861 20 30 CBEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001197535807 824194260 /nfs/dbraw/zinc/19/42/60/824194260.db2.gz DQYUHMNRJIBSOG-ZIAGYGMSSA-N 2 2 297.399 -0.861 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213594654 824512756 /nfs/dbraw/zinc/51/27/56/824512756.db2.gz LGEWATKGVGKRFU-CHWSQXEVSA-N 2 2 267.373 -0.223 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213594654 824512759 /nfs/dbraw/zinc/51/27/59/824512759.db2.gz LGEWATKGVGKRFU-CHWSQXEVSA-N 2 2 267.373 -0.223 20 30 CBEDLP N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218637156 824611872 /nfs/dbraw/zinc/61/18/72/824611872.db2.gz GSIGXPFUNDUALU-VIFPVBQESA-N 2 2 284.283 -0.913 20 30 CBEDLP N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218637856 824612011 /nfs/dbraw/zinc/61/20/11/824612011.db2.gz QRVGCOIXEPNINC-ZJUUUORDSA-N 2 2 296.294 -0.900 20 30 CBEDLP C=C(C)C(=O)NCCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220043629 824942672 /nfs/dbraw/zinc/94/26/72/824942672.db2.gz ZNLVZTICPNGCCI-SDDRHHMPSA-N 2 2 280.372 -0.865 20 30 CBEDLP C=C(C)C(=O)OCCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220124773 824959973 /nfs/dbraw/zinc/95/99/73/824959973.db2.gz KTQQLWJUAOYVOH-GWCFXTLKSA-N 2 2 267.329 -0.827 20 30 CBEDLP O=C(/C=C/NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)C(F)(F)F ZINC001220343604 825020290 /nfs/dbraw/zinc/02/02/90/825020290.db2.gz UVZSRDHYGZMLEU-BDRIAGRASA-N 2 2 277.246 -0.301 20 30 CBEDLP C=C[C@@H]1C[C@]1(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001220571678 825065666 /nfs/dbraw/zinc/06/56/66/825065666.db2.gz XCUFXVPBNHDCGH-GLXFQSAKSA-N 2 2 292.339 -0.097 20 30 CBEDLP C=C[C@H]1C[C@@]1(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001220571677 825066193 /nfs/dbraw/zinc/06/61/93/825066193.db2.gz XCUFXVPBNHDCGH-CHIMOYNISA-N 2 2 292.339 -0.097 20 30 CBEDLP C=C[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C(=O)OCC ZINC001220571246 825066790 /nfs/dbraw/zinc/06/67/90/825066790.db2.gz MOZMMNUQOIJNSK-QHUBEEEXSA-N 2 2 293.367 -0.440 20 30 CBEDLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCCS ZINC001220587369 825071858 /nfs/dbraw/zinc/07/18/58/825071858.db2.gz BLEYQJBFOFLWFG-SNVBAGLBSA-N 2 2 260.407 -0.827 20 30 CBEDLP N#Cc1cnc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)s1 ZINC001220872289 825118456 /nfs/dbraw/zinc/11/84/56/825118456.db2.gz SCLLUTMQQJNXGP-UFBFGSQYSA-N 2 2 277.353 -0.418 20 30 CBEDLP N#Cc1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001221089957 825143946 /nfs/dbraw/zinc/14/39/46/825143946.db2.gz YILGDXPHHFTWNP-LBPRGKRZSA-N 2 2 270.296 -0.137 20 30 CBEDLP C=CC[C@@](C)(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)OC ZINC001221381632 825179986 /nfs/dbraw/zinc/17/99/86/825179986.db2.gz GFUOXSUHIFBLSU-VDDIYKPWSA-N 2 2 255.318 -0.700 20 30 CBEDLP C=CCOC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239334241 825599236 /nfs/dbraw/zinc/59/92/36/825599236.db2.gz GSCPTFPKNDYTPY-UHFFFAOYSA-N 2 2 256.350 -0.607 20 30 CBEDLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(F)cn1 ZINC001251038508 825770183 /nfs/dbraw/zinc/77/01/83/825770183.db2.gz XKFUSZXPOVYWJV-LLVKDONJSA-N 2 2 282.319 -0.381 20 30 CBEDLP C#CCOC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001251844407 825793787 /nfs/dbraw/zinc/79/37/87/825793787.db2.gz RIPNTSNYIPGHFX-RRFJBIMHSA-N 2 2 282.384 -0.350 20 30 CBEDLP C#CCOC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001251844407 825793789 /nfs/dbraw/zinc/79/37/89/825793789.db2.gz RIPNTSNYIPGHFX-RRFJBIMHSA-N 2 2 282.384 -0.350 20 30 CBEDLP C#CCOC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001251844407 825793795 /nfs/dbraw/zinc/79/37/95/825793795.db2.gz RIPNTSNYIPGHFX-RRFJBIMHSA-N 2 2 282.384 -0.350 20 30 CBEDLP C#CCOC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001251844407 825793797 /nfs/dbraw/zinc/79/37/97/825793797.db2.gz RIPNTSNYIPGHFX-RRFJBIMHSA-N 2 2 282.384 -0.350 20 30 CBEDLP C=CCOC[C@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001252473972 825871578 /nfs/dbraw/zinc/87/15/78/825871578.db2.gz UBSPFGVVQXLNPO-CQSZACIVSA-N 2 2 269.389 -0.519 20 30 CBEDLP C#CC[NH+]1CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253394462 825912587 /nfs/dbraw/zinc/91/25/87/825912587.db2.gz LTYXZICZHFFILZ-CYBMUJFWSA-N 2 2 253.390 -0.014 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC(=O)NC ZINC001264997225 826831830 /nfs/dbraw/zinc/83/18/30/826831830.db2.gz ZTEZOBFWJBCRTJ-ZDUSSCGKSA-N 2 2 294.399 -0.732 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC(=O)NC ZINC001264997225 826831843 /nfs/dbraw/zinc/83/18/43/826831843.db2.gz ZTEZOBFWJBCRTJ-ZDUSSCGKSA-N 2 2 294.399 -0.732 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=O)NC ZINC001264997225 826831852 /nfs/dbraw/zinc/83/18/52/826831852.db2.gz ZTEZOBFWJBCRTJ-ZDUSSCGKSA-N 2 2 294.399 -0.732 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=O)NC ZINC001264997225 826831866 /nfs/dbraw/zinc/83/18/66/826831866.db2.gz ZTEZOBFWJBCRTJ-ZDUSSCGKSA-N 2 2 294.399 -0.732 20 30 CBEDLP C#CC[NH+]1CCN(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001265263942 826864500 /nfs/dbraw/zinc/86/45/00/826864500.db2.gz CPKXDROVRQCBMY-AWEZNQCLSA-N 2 2 280.416 -0.306 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266350043 826988911 /nfs/dbraw/zinc/98/89/11/826988911.db2.gz FCNVXMCIJCITIJ-AWEZNQCLSA-N 2 2 296.415 -0.630 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266350043 826988915 /nfs/dbraw/zinc/98/89/15/826988915.db2.gz FCNVXMCIJCITIJ-AWEZNQCLSA-N 2 2 296.415 -0.630 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001266353316 826989775 /nfs/dbraw/zinc/98/97/75/826989775.db2.gz UACDCYDQKLVUJJ-CYBMUJFWSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001266353316 826989780 /nfs/dbraw/zinc/98/97/80/826989780.db2.gz UACDCYDQKLVUJJ-CYBMUJFWSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266353316 826989785 /nfs/dbraw/zinc/98/97/85/826989785.db2.gz UACDCYDQKLVUJJ-CYBMUJFWSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266353316 826989789 /nfs/dbraw/zinc/98/97/89/826989789.db2.gz UACDCYDQKLVUJJ-CYBMUJFWSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001267701587 827202097 /nfs/dbraw/zinc/20/20/97/827202097.db2.gz VLOXKMNRNLKELV-UHFFFAOYSA-N 2 2 296.415 -0.323 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001267701587 827202108 /nfs/dbraw/zinc/20/21/08/827202108.db2.gz VLOXKMNRNLKELV-UHFFFAOYSA-N 2 2 296.415 -0.323 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268315578 827295355 /nfs/dbraw/zinc/29/53/55/827295355.db2.gz NYZKEWMWLKQLFD-OCCSQVGLSA-N 2 2 290.367 -0.465 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268315577 827295517 /nfs/dbraw/zinc/29/55/17/827295517.db2.gz NYZKEWMWLKQLFD-JSGCOSHPSA-N 2 2 290.367 -0.465 20 30 CBEDLP C=C(C)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001268331002 827306201 /nfs/dbraw/zinc/30/62/01/827306201.db2.gz FBLHIISVRMJFSC-ZDUSSCGKSA-N 2 2 280.372 -0.005 20 30 CBEDLP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270027768 827542399 /nfs/dbraw/zinc/54/23/99/827542399.db2.gz MIPDALNKXOVOOO-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270027768 827542400 /nfs/dbraw/zinc/54/24/00/827542400.db2.gz MIPDALNKXOVOOO-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001272151804 827762883 /nfs/dbraw/zinc/76/28/83/827762883.db2.gz DEHOISXETBELDO-ZDUSSCGKSA-N 2 2 296.415 -0.534 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001272151804 827762892 /nfs/dbraw/zinc/76/28/92/827762892.db2.gz DEHOISXETBELDO-ZDUSSCGKSA-N 2 2 296.415 -0.534 20 30 CBEDLP C=CC[NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001272265129 827774555 /nfs/dbraw/zinc/77/45/55/827774555.db2.gz LURUWDNMNBJQOJ-UHFFFAOYSA-N 2 2 252.318 -0.451 20 30 CBEDLP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001272488601 827806162 /nfs/dbraw/zinc/80/61/62/827806162.db2.gz PKQWJBYELFEEAK-GFCCVEGCSA-N 2 2 266.345 -0.084 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC001272593684 827828465 /nfs/dbraw/zinc/82/84/65/827828465.db2.gz ZMFBMCRHCAZXFF-LBPRGKRZSA-N 2 2 264.329 -0.637 20 30 CBEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001273322602 827889434 /nfs/dbraw/zinc/88/94/34/827889434.db2.gz HDQUDWRZHVIWKO-GFCCVEGCSA-N 2 2 264.329 -0.045 20 30 CBEDLP C=C[C@@H](O)C[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273881072 827936324 /nfs/dbraw/zinc/93/63/24/827936324.db2.gz IVHVKBFBZOSKRP-GFCCVEGCSA-N 2 2 283.372 -0.992 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001276083088 828133829 /nfs/dbraw/zinc/13/38/29/828133829.db2.gz RMLGBWXOZWUESV-CQSZACIVSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001276083088 828133832 /nfs/dbraw/zinc/13/38/32/828133832.db2.gz RMLGBWXOZWUESV-CQSZACIVSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001276094369 828133902 /nfs/dbraw/zinc/13/39/02/828133902.db2.gz GMQXGVCPKRHULS-AWEZNQCLSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001276094369 828133904 /nfs/dbraw/zinc/13/39/04/828133904.db2.gz GMQXGVCPKRHULS-AWEZNQCLSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001278827998 828293722 /nfs/dbraw/zinc/29/37/22/828293722.db2.gz SAVXROFFMWOTDF-LBPRGKRZSA-N 2 2 278.356 -0.307 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601908 884644778 /nfs/dbraw/zinc/64/47/78/884644778.db2.gz WCRXYGNLQGTNAT-CHWSQXEVSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601908 884644783 /nfs/dbraw/zinc/64/47/83/884644783.db2.gz WCRXYGNLQGTNAT-CHWSQXEVSA-N 2 2 276.340 -0.473 20 30 CBEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001327082645 885248683 /nfs/dbraw/zinc/24/86/83/885248683.db2.gz WDHFCXCIQDCLKJ-GFCCVEGCSA-N 2 2 264.329 -0.114 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001329107028 885932496 /nfs/dbraw/zinc/93/24/96/885932496.db2.gz PMRGAJSQIBJIGN-MXWKQRLJSA-N 2 2 259.313 -0.327 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001329680749 886173820 /nfs/dbraw/zinc/17/38/20/886173820.db2.gz UTBZICVVPGGROT-UHFFFAOYSA-N 2 2 290.367 -0.232 20 30 CBEDLP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001331740120 886949358 /nfs/dbraw/zinc/94/93/58/886949358.db2.gz NYWOOMVXJHZEPX-NEPJUHHUSA-N 2 2 276.340 -0.855 20 30 CBEDLP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001332586110 887367652 /nfs/dbraw/zinc/36/76/52/887367652.db2.gz GFIRTEPYDYCNPE-NSHDSACASA-N 2 2 264.329 -0.616 20 30 CBEDLP COCC#CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001334498870 888249745 /nfs/dbraw/zinc/24/97/45/888249745.db2.gz DWJOLBACZUCPAA-UHFFFAOYSA-N 2 2 255.362 -0.364 20 30 CBEDLP COCC#CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001334498870 888249752 /nfs/dbraw/zinc/24/97/52/888249752.db2.gz DWJOLBACZUCPAA-UHFFFAOYSA-N 2 2 255.362 -0.364 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC001335076008 888402935 /nfs/dbraw/zinc/40/29/35/888402935.db2.gz FCPKBXXABAYNCQ-SNVBAGLBSA-N 2 2 252.318 -0.313 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC001335411912 888525729 /nfs/dbraw/zinc/52/57/29/888525729.db2.gz KKBOANZJDMFXFH-HNNXBMFYSA-N 2 2 296.411 -0.034 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC001338505726 889170022 /nfs/dbraw/zinc/17/00/22/889170022.db2.gz SWLXKMQMINTHGT-CYBMUJFWSA-N 2 2 252.358 -0.051 20 30 CBEDLP C#CC[NH2+]CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001340155492 889399961 /nfs/dbraw/zinc/39/99/61/889399961.db2.gz PUXDORRKCWYYLS-ZDUSSCGKSA-N 2 2 267.373 -0.318 20 30 CBEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC001340931730 889515559 /nfs/dbraw/zinc/51/55/59/889515559.db2.gz UDWSHXJQXSZLAQ-GFCCVEGCSA-N 2 2 255.362 -0.194 20 30 CBEDLP CC[C@@H](CC#N)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001353247319 891389218 /nfs/dbraw/zinc/38/92/18/891389218.db2.gz OMWNKTSJFAISFM-QWHCGFSZSA-N 2 2 254.378 -0.123 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001353748434 891468184 /nfs/dbraw/zinc/46/81/84/891468184.db2.gz FNMPLHJUQQBYPX-GFCCVEGCSA-N 2 2 258.325 -0.001 20 30 CBEDLP C#CC[NH2+]CC(=O)NCCC[NH+]1CCN(CC)CC1 ZINC001357430908 891892286 /nfs/dbraw/zinc/89/22/86/891892286.db2.gz MGWMLMKOCVIWBD-UHFFFAOYSA-N 2 2 266.389 -0.647 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001505767740 921478109 /nfs/dbraw/zinc/47/81/09/921478109.db2.gz GBMVSCJXECLVAI-VXGBXAGGSA-N 2 2 291.355 -0.885 20 30 CBEDLP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001507236726 921771436 /nfs/dbraw/zinc/77/14/36/921771436.db2.gz CTYNLBHTTLGBOV-QJPTWQEYSA-N 2 2 278.356 -0.224 20 30 CBEDLP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001507246378 921779633 /nfs/dbraw/zinc/77/96/33/921779633.db2.gz JMOOBADLXKECFB-YPMHNXCESA-N 2 2 278.356 -0.322 20 30 CBEDLP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001507246378 921779648 /nfs/dbraw/zinc/77/96/48/921779648.db2.gz JMOOBADLXKECFB-YPMHNXCESA-N 2 2 278.356 -0.322 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001480579285 916481785 /nfs/dbraw/zinc/48/17/85/916481785.db2.gz JLYKSGZCCYWEPE-SNVBAGLBSA-N 2 2 291.355 -0.896 20 30 CBEDLP CC[N@@H+](CC#CCOC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001480966255 916660905 /nfs/dbraw/zinc/66/09/05/916660905.db2.gz AAIAQOIVIBXIFJ-AWEZNQCLSA-N 2 2 297.399 -0.595 20 30 CBEDLP CC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001480966255 916660922 /nfs/dbraw/zinc/66/09/22/916660922.db2.gz AAIAQOIVIBXIFJ-AWEZNQCLSA-N 2 2 297.399 -0.595 20 30 CBEDLP CC[NH+](CC#CCOC)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001480966255 916660930 /nfs/dbraw/zinc/66/09/30/916660930.db2.gz AAIAQOIVIBXIFJ-AWEZNQCLSA-N 2 2 297.399 -0.595 20 30 CBEDLP CC[NH+](CC#CCOC)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001480966255 916660937 /nfs/dbraw/zinc/66/09/37/916660937.db2.gz AAIAQOIVIBXIFJ-AWEZNQCLSA-N 2 2 297.399 -0.595 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481644186 916927018 /nfs/dbraw/zinc/92/70/18/916927018.db2.gz AUHPDWXXEMOORP-ZDUSSCGKSA-N 2 2 296.415 -0.323 20 30 CBEDLP COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001481683105 916939391 /nfs/dbraw/zinc/93/93/91/916939391.db2.gz RWCNVYXXQSVPQK-KKUMJFAQSA-N 2 2 291.395 -0.127 20 30 CBEDLP COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001481683105 916939397 /nfs/dbraw/zinc/93/93/97/916939397.db2.gz RWCNVYXXQSVPQK-KKUMJFAQSA-N 2 2 291.395 -0.127 20 30 CBEDLP COCC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001481683105 916939407 /nfs/dbraw/zinc/93/94/07/916939407.db2.gz RWCNVYXXQSVPQK-KKUMJFAQSA-N 2 2 291.395 -0.127 20 30 CBEDLP COCC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481683105 916939417 /nfs/dbraw/zinc/93/94/17/916939417.db2.gz RWCNVYXXQSVPQK-KKUMJFAQSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001481923151 917019190 /nfs/dbraw/zinc/01/91/90/917019190.db2.gz RLAJPFBFVIKTAP-ZFWWWQNUSA-N 2 2 279.384 -0.175 20 30 CBEDLP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001481923151 917019205 /nfs/dbraw/zinc/01/92/05/917019205.db2.gz RLAJPFBFVIKTAP-ZFWWWQNUSA-N 2 2 279.384 -0.175 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001482773083 917269125 /nfs/dbraw/zinc/26/91/25/917269125.db2.gz LVJBDRZIYXQUTK-NEPJUHHUSA-N 2 2 264.329 -0.466 20 30 CBEDLP CC#CC[NH2+]CCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001484484604 917870110 /nfs/dbraw/zinc/87/01/10/917870110.db2.gz CXZRHDFUJRTFHL-UHFFFAOYSA-N 2 2 278.356 -0.224 20 30 CBEDLP CC#CC[NH2+]CCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001484484604 917870118 /nfs/dbraw/zinc/87/01/18/917870118.db2.gz CXZRHDFUJRTFHL-UHFFFAOYSA-N 2 2 278.356 -0.224 20 30 CBEDLP C#CC[NH2+]CCN(CCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001484497662 917875765 /nfs/dbraw/zinc/87/57/65/917875765.db2.gz ZSWYNLYMFGJQLV-LBPRGKRZSA-N 2 2 278.356 -0.368 20 30 CBEDLP C#CC[NH2+]CCN(CCO)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001484497662 917875781 /nfs/dbraw/zinc/87/57/81/917875781.db2.gz ZSWYNLYMFGJQLV-LBPRGKRZSA-N 2 2 278.356 -0.368 20 30 CBEDLP COCC#CC[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485395727 918111579 /nfs/dbraw/zinc/11/15/79/918111579.db2.gz PCJDGWSPVNQRJA-CYBMUJFWSA-N 2 2 278.356 -0.031 20 30 CBEDLP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485395727 918111591 /nfs/dbraw/zinc/11/15/91/918111591.db2.gz PCJDGWSPVNQRJA-CYBMUJFWSA-N 2 2 278.356 -0.031 20 30 CBEDLP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001485648083 918165696 /nfs/dbraw/zinc/16/56/96/918165696.db2.gz XCSFCXWABUYFKJ-VXGBXAGGSA-N 2 2 276.340 -0.209 20 30 CBEDLP C#CC[NH2+][C@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001486040291 918331265 /nfs/dbraw/zinc/33/12/65/918331265.db2.gz VFBWTKGOFNFHSA-RYUDHWBXSA-N 2 2 264.329 -0.466 20 30 CBEDLP C#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001486040292 918331689 /nfs/dbraw/zinc/33/16/89/918331689.db2.gz VFBWTKGOFNFHSA-VXGBXAGGSA-N 2 2 264.329 -0.466 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001486280182 918409430 /nfs/dbraw/zinc/40/94/30/918409430.db2.gz XGEJGOUNIOVIQP-CYBMUJFWSA-N 2 2 278.356 -0.226 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001486280182 918409436 /nfs/dbraw/zinc/40/94/36/918409436.db2.gz XGEJGOUNIOVIQP-CYBMUJFWSA-N 2 2 278.356 -0.226 20 30 CBEDLP CC#CC[NH2+]C[C@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001497005679 920206132 /nfs/dbraw/zinc/20/61/32/920206132.db2.gz NZZLDGRTRBVESK-NSHDSACASA-N 2 2 294.355 -0.560 20 30 CBEDLP COCC#CC[NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C ZINC001497732063 920375063 /nfs/dbraw/zinc/37/50/63/920375063.db2.gz QKFQZEVJCCFVFE-ARJAWSKDSA-N 2 2 290.367 -0.126 20 30 CBEDLP COCC#CC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001499048373 920690776 /nfs/dbraw/zinc/69/07/76/920690776.db2.gz CCWVAEFCKDLLOZ-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP COCC#CC[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001499048373 920690784 /nfs/dbraw/zinc/69/07/84/920690784.db2.gz CCWVAEFCKDLLOZ-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001500910848 920917355 /nfs/dbraw/zinc/91/73/55/920917355.db2.gz VKLVWNWFOMMKFR-UHFFFAOYSA-N 2 2 267.373 -0.486 20 30 CBEDLP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001501469905 921022436 /nfs/dbraw/zinc/02/24/36/921022436.db2.gz ZGCKSZQUPBUNQN-ZDUSSCGKSA-N 2 2 290.367 -0.511 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001514580769 922205875 /nfs/dbraw/zinc/20/58/75/922205875.db2.gz LTEQQZMUFPYIIS-HNNXBMFYSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(CO)CC2)C1 ZINC001514580769 922205891 /nfs/dbraw/zinc/20/58/91/922205891.db2.gz LTEQQZMUFPYIIS-HNNXBMFYSA-N 2 2 293.411 -0.096 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1[NH2+]CCc2occc21 ZINC001521511845 922365940 /nfs/dbraw/zinc/36/59/40/922365940.db2.gz FGCDBNVCNOWTEB-QRTLGDNMSA-N 2 2 260.297 -0.306 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001521940030 922390932 /nfs/dbraw/zinc/39/09/32/922390932.db2.gz QMTVFUFYJUFNKL-NWDGAFQWSA-N 2 2 253.346 -0.565 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001521940030 922390946 /nfs/dbraw/zinc/39/09/46/922390946.db2.gz QMTVFUFYJUFNKL-NWDGAFQWSA-N 2 2 253.346 -0.565 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC001548553735 923374060 /nfs/dbraw/zinc/37/40/60/923374060.db2.gz OFDMSLKFVFXZGC-AWEZNQCLSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC001548553743 923376465 /nfs/dbraw/zinc/37/64/65/923376465.db2.gz OFDMSLKFVFXZGC-CQSZACIVSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@H](C)O)C2)CC1 ZINC000089928528 351735212 /nfs/dbraw/zinc/73/52/12/351735212.db2.gz FQJVAKUERXFHCI-LSDHHAIUSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)CC1 ZINC000089928528 351735214 /nfs/dbraw/zinc/73/52/14/351735214.db2.gz FQJVAKUERXFHCI-LSDHHAIUSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000081643932 351708979 /nfs/dbraw/zinc/70/89/79/351708979.db2.gz FZJLFBTYVFRXQQ-ZDUSSCGKSA-N 2 2 265.357 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000081643932 351708980 /nfs/dbraw/zinc/70/89/80/351708980.db2.gz FZJLFBTYVFRXQQ-ZDUSSCGKSA-N 2 2 265.357 -0.780 20 30 CBEDLP C[NH+]=C(NCCn1cc[nH+]c1)NCCN1CCOCC1 ZINC000170906906 352004139 /nfs/dbraw/zinc/00/41/39/352004139.db2.gz OKROHOSMBKXKPT-UHFFFAOYSA-N 2 2 280.376 -0.620 20 30 CBEDLP CN(CC[N@H+](C)CC(=O)NCC#N)C1CC[NH+](C)CC1 ZINC000177379846 352073996 /nfs/dbraw/zinc/07/39/96/352073996.db2.gz ZEXAFQMICOETQL-UHFFFAOYSA-N 2 2 281.404 -0.416 20 30 CBEDLP CN(CC[N@@H+](C)CC(=O)NCC#N)C1CC[NH+](C)CC1 ZINC000177379846 352074000 /nfs/dbraw/zinc/07/40/00/352074000.db2.gz ZEXAFQMICOETQL-UHFFFAOYSA-N 2 2 281.404 -0.416 20 30 CBEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NCC#N ZINC000177379846 352074002 /nfs/dbraw/zinc/07/40/02/352074002.db2.gz ZEXAFQMICOETQL-UHFFFAOYSA-N 2 2 281.404 -0.416 20 30 CBEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NCC#N ZINC000177379846 352074003 /nfs/dbraw/zinc/07/40/03/352074003.db2.gz ZEXAFQMICOETQL-UHFFFAOYSA-N 2 2 281.404 -0.416 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H](C)O)CC1 ZINC000304713533 352747293 /nfs/dbraw/zinc/74/72/93/352747293.db2.gz MRCDTBGILDXEGW-LSDHHAIUSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H](C)O)CC1 ZINC000304713533 352747297 /nfs/dbraw/zinc/74/72/97/352747297.db2.gz MRCDTBGILDXEGW-LSDHHAIUSA-N 2 2 293.411 -0.001 20 30 CBEDLP C[NH+](C)CC(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000338903366 353123971 /nfs/dbraw/zinc/12/39/71/353123971.db2.gz KFNXUGIEDJGHCQ-UHFFFAOYSA-N 2 2 268.361 -0.378 20 30 CBEDLP C=CCNC(=O)CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346822957 353393655 /nfs/dbraw/zinc/39/36/55/353393655.db2.gz JHNYSTDBXOOXPP-AWEZNQCLSA-N 2 2 280.416 -0.094 20 30 CBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826298 353668647 /nfs/dbraw/zinc/66/86/47/353668647.db2.gz MKCFIKPKMYDUFF-STQMWFEESA-N 2 2 294.399 -0.427 20 30 CBEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826298 353668648 /nfs/dbraw/zinc/66/86/48/353668648.db2.gz MKCFIKPKMYDUFF-STQMWFEESA-N 2 2 294.399 -0.427 20 30 CBEDLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424145721 354212351 /nfs/dbraw/zinc/21/23/51/354212351.db2.gz ZESLEEONFFDRFA-LBPRGKRZSA-N 2 2 268.361 -0.202 20 30 CBEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCC#N ZINC000441191350 354258442 /nfs/dbraw/zinc/25/84/42/354258442.db2.gz VQQARNBCQJEGGL-JHJVBQTASA-N 2 2 280.372 -0.190 20 30 CBEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCC#N ZINC000441191350 354258447 /nfs/dbraw/zinc/25/84/47/354258447.db2.gz VQQARNBCQJEGGL-JHJVBQTASA-N 2 2 280.372 -0.190 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2(C)C)CC1 ZINC000491315723 354454312 /nfs/dbraw/zinc/45/43/12/354454312.db2.gz PUUDWWRQIRLJOX-ZDUSSCGKSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2(C)C)CC1 ZINC000491315723 354454314 /nfs/dbraw/zinc/45/43/14/354454314.db2.gz PUUDWWRQIRLJOX-ZDUSSCGKSA-N 2 2 279.384 -0.391 20 30 CBEDLP CC[N@@H+]1CCO[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000531293452 354590030 /nfs/dbraw/zinc/59/00/30/354590030.db2.gz ZBOSIRASJRBPGP-GFCCVEGCSA-N 2 2 280.372 -0.189 20 30 CBEDLP CC[N@H+]1CCO[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000531293452 354590031 /nfs/dbraw/zinc/59/00/31/354590031.db2.gz ZBOSIRASJRBPGP-GFCCVEGCSA-N 2 2 280.372 -0.189 20 30 CBEDLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)CCO1 ZINC000570453206 354862038 /nfs/dbraw/zinc/86/20/38/354862038.db2.gz PXVMHNBIKCDVOK-RYUDHWBXSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)CCO1 ZINC000570453206 354862039 /nfs/dbraw/zinc/86/20/39/354862039.db2.gz PXVMHNBIKCDVOK-RYUDHWBXSA-N 2 2 268.361 -0.156 20 30 CBEDLP C=C(C)COCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000583921328 355024334 /nfs/dbraw/zinc/02/43/34/355024334.db2.gz OECIPWJVABGLBO-GFCCVEGCSA-N 2 2 270.377 -0.137 20 30 CBEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000589310573 355067320 /nfs/dbraw/zinc/06/73/20/355067320.db2.gz LXFQFIAGSALLCE-UHFFFAOYSA-N 2 2 279.369 -0.122 20 30 CBEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(CC#N)C1 ZINC000594015803 355235195 /nfs/dbraw/zinc/23/51/95/355235195.db2.gz QLEBIBZDULGPRP-CHWSQXEVSA-N 2 2 271.361 -0.724 20 30 CBEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(CC#N)C1 ZINC000594015803 355235198 /nfs/dbraw/zinc/23/51/98/355235198.db2.gz QLEBIBZDULGPRP-CHWSQXEVSA-N 2 2 271.361 -0.724 20 30 CBEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000594015803 355235202 /nfs/dbraw/zinc/23/52/02/355235202.db2.gz QLEBIBZDULGPRP-CHWSQXEVSA-N 2 2 271.361 -0.724 20 30 CBEDLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000594015803 355235205 /nfs/dbraw/zinc/23/52/05/355235205.db2.gz QLEBIBZDULGPRP-CHWSQXEVSA-N 2 2 271.361 -0.724 20 30 CBEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000594443253 355247638 /nfs/dbraw/zinc/24/76/38/355247638.db2.gz BPKZRDDANULLDY-GFCCVEGCSA-N 2 2 268.361 -0.466 20 30 CBEDLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1=O ZINC000598622416 355447364 /nfs/dbraw/zinc/44/73/64/355447364.db2.gz JVSKEMIUOCYRIX-ZDUSSCGKSA-N 2 2 296.415 -0.007 20 30 CBEDLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1=O ZINC000598622416 355447366 /nfs/dbraw/zinc/44/73/66/355447366.db2.gz JVSKEMIUOCYRIX-ZDUSSCGKSA-N 2 2 296.415 -0.007 20 30 CBEDLP N#CC1(C[C@@H](O)C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000600754409 355564647 /nfs/dbraw/zinc/56/46/47/355564647.db2.gz IHVUIBXTGPCXDL-OLZOCXBDSA-N 2 2 294.399 -0.029 20 30 CBEDLP N#CC1(C[C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000600754409 355564650 /nfs/dbraw/zinc/56/46/50/355564650.db2.gz IHVUIBXTGPCXDL-OLZOCXBDSA-N 2 2 294.399 -0.029 20 30 CBEDLP CC[N@H+](CCO)CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600746277 355564782 /nfs/dbraw/zinc/56/47/82/355564782.db2.gz VXXKXMPBYGBRBX-CQSZACIVSA-N 2 2 299.415 -0.038 20 30 CBEDLP CC[N@@H+](CCO)CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600746277 355564786 /nfs/dbraw/zinc/56/47/86/355564786.db2.gz VXXKXMPBYGBRBX-CQSZACIVSA-N 2 2 299.415 -0.038 20 30 CBEDLP C=C[C@H](O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000611975126 355817770 /nfs/dbraw/zinc/81/77/70/355817770.db2.gz WHOWMQUWXBPZMH-LBPRGKRZSA-N 2 2 255.362 -0.325 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762825 220194594 /nfs/dbraw/zinc/19/45/94/220194594.db2.gz KAVBKWXKKJPRJS-LBPRGKRZSA-N 2 2 282.388 -0.617 20 30 CBEDLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)CN(C)CCC#N)n1C ZINC000515638084 373794569 /nfs/dbraw/zinc/79/45/69/373794569.db2.gz PZBFASFZMIAODU-CYBMUJFWSA-N 2 2 294.403 -0.218 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261636988 220244495 /nfs/dbraw/zinc/24/44/95/220244495.db2.gz WOJHIRNBDUHQNR-MNOVXSKESA-N 2 2 266.345 -0.318 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261636988 220244499 /nfs/dbraw/zinc/24/44/99/220244499.db2.gz WOJHIRNBDUHQNR-MNOVXSKESA-N 2 2 266.345 -0.318 20 30 CBEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCO[C@H](COC)C1 ZINC000261914562 220246619 /nfs/dbraw/zinc/24/66/19/220246619.db2.gz JPSFKOLRMZFJFE-LBPRGKRZSA-N 2 2 281.360 -0.194 20 30 CBEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000644549076 374593253 /nfs/dbraw/zinc/59/32/53/374593253.db2.gz OILCWKUMSHPRKZ-OAHLLOKOSA-N 2 2 283.416 -0.081 20 30 CBEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[NH+](C)CCO1 ZINC000303985267 220325698 /nfs/dbraw/zinc/32/56/98/220325698.db2.gz SUPXAANYJWBUDC-QWHCGFSZSA-N 3 2 283.420 -0.294 20 30 CBEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[NH+](C)CCO1 ZINC000303985267 220325700 /nfs/dbraw/zinc/32/57/00/220325700.db2.gz SUPXAANYJWBUDC-QWHCGFSZSA-N 3 2 283.420 -0.294 20 30 CBEDLP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000303985267 220325704 /nfs/dbraw/zinc/32/57/04/220325704.db2.gz SUPXAANYJWBUDC-QWHCGFSZSA-N 3 2 283.420 -0.294 20 30 CBEDLP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000303985267 220325709 /nfs/dbraw/zinc/32/57/09/220325709.db2.gz SUPXAANYJWBUDC-QWHCGFSZSA-N 3 2 283.420 -0.294 20 30 CBEDLP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000329100198 220331542 /nfs/dbraw/zinc/33/15/42/220331542.db2.gz DNKPMFWZTYDOLS-NWDGAFQWSA-N 2 2 270.377 -0.085 20 30 CBEDLP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000329100198 220331544 /nfs/dbraw/zinc/33/15/44/220331544.db2.gz DNKPMFWZTYDOLS-NWDGAFQWSA-N 2 2 270.377 -0.085 20 30 CBEDLP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329100198 220331547 /nfs/dbraw/zinc/33/15/47/220331547.db2.gz DNKPMFWZTYDOLS-NWDGAFQWSA-N 2 2 270.377 -0.085 20 30 CBEDLP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329100198 220331551 /nfs/dbraw/zinc/33/15/51/220331551.db2.gz DNKPMFWZTYDOLS-NWDGAFQWSA-N 2 2 270.377 -0.085 20 30 CBEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000329355368 220337083 /nfs/dbraw/zinc/33/70/83/220337083.db2.gz GPJCTKXOSCBFHL-QWHCGFSZSA-N 2 2 283.420 -0.170 20 30 CBEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000329355368 220337084 /nfs/dbraw/zinc/33/70/84/220337084.db2.gz GPJCTKXOSCBFHL-QWHCGFSZSA-N 2 2 283.420 -0.170 20 30 CBEDLP CN1CC[NH+](C)[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000329355368 220337088 /nfs/dbraw/zinc/33/70/88/220337088.db2.gz GPJCTKXOSCBFHL-QWHCGFSZSA-N 2 2 283.420 -0.170 20 30 CBEDLP CN1CC[NH+](C)[C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000329355368 220337091 /nfs/dbraw/zinc/33/70/91/220337091.db2.gz GPJCTKXOSCBFHL-QWHCGFSZSA-N 2 2 283.420 -0.170 20 30 CBEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCO)CC1 ZINC000330494480 220354244 /nfs/dbraw/zinc/35/42/44/220354244.db2.gz VABLPHWDDUVEPV-UHFFFAOYSA-N 2 2 258.366 -0.492 20 30 CBEDLP C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000337221560 220395473 /nfs/dbraw/zinc/39/54/73/220395473.db2.gz LHNBYCNWLCVHAH-CYBMUJFWSA-N 2 2 294.399 -0.521 20 30 CBEDLP C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000337221560 220395477 /nfs/dbraw/zinc/39/54/77/220395477.db2.gz LHNBYCNWLCVHAH-CYBMUJFWSA-N 2 2 294.399 -0.521 20 30 CBEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031535 174026065 /nfs/dbraw/zinc/02/60/65/174026065.db2.gz YOMUYNHGEBDYMD-NSHDSACASA-N 2 2 268.361 -0.959 20 30 CBEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031535 174026067 /nfs/dbraw/zinc/02/60/67/174026067.db2.gz YOMUYNHGEBDYMD-NSHDSACASA-N 2 2 268.361 -0.959 20 30 CBEDLP C=CCN1CC[C@@H]([NH2+]C2(CO)CC[NH2+]CC2)C1=O ZINC000662282521 419573804 /nfs/dbraw/zinc/57/38/04/419573804.db2.gz BCCQVMQFHSDIKZ-LLVKDONJSA-N 2 2 253.346 -0.523 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@H]2CCOC2)CC1 ZINC000491657006 420313056 /nfs/dbraw/zinc/31/30/56/420313056.db2.gz FPLRKXNKOKXOHQ-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@H]2CCOC2)CC1 ZINC000491657006 420313061 /nfs/dbraw/zinc/31/30/61/420313061.db2.gz FPLRKXNKOKXOHQ-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000491630456 420313288 /nfs/dbraw/zinc/31/32/88/420313288.db2.gz PFRQZFMICDRRGM-HNNXBMFYSA-N 3 2 282.432 -0.861 20 30 CBEDLP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000491630456 420313293 /nfs/dbraw/zinc/31/32/93/420313293.db2.gz PFRQZFMICDRRGM-HNNXBMFYSA-N 3 2 282.432 -0.861 20 30 CBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370702 330348157 /nfs/dbraw/zinc/34/81/57/330348157.db2.gz LZSFQZMQWHXWGR-GJZGRUSLSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370702 330348158 /nfs/dbraw/zinc/34/81/58/330348158.db2.gz LZSFQZMQWHXWGR-GJZGRUSLSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H]2CO)CC1 ZINC000490718736 332108540 /nfs/dbraw/zinc/10/85/40/332108540.db2.gz JTRBEAYDISCQSR-ZIAGYGMSSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H]2CO)CC1 ZINC000490718736 332108542 /nfs/dbraw/zinc/10/85/42/332108542.db2.gz JTRBEAYDISCQSR-ZIAGYGMSSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)CCC(=O)OC)CC1 ZINC000490760349 332112536 /nfs/dbraw/zinc/11/25/36/332112536.db2.gz LEJWMAACNVMWQZ-UHFFFAOYSA-N 2 2 295.383 -0.351 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CCC(=O)OC)CC1 ZINC000490760349 332112538 /nfs/dbraw/zinc/11/25/38/332112538.db2.gz LEJWMAACNVMWQZ-UHFFFAOYSA-N 2 2 295.383 -0.351 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](OC)C2)CC1 ZINC000490890845 332124980 /nfs/dbraw/zinc/12/49/80/332124980.db2.gz ACPDTKFBRWGZOJ-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](OC)C2)CC1 ZINC000490890845 332124982 /nfs/dbraw/zinc/12/49/82/332124982.db2.gz ACPDTKFBRWGZOJ-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000490922621 332129359 /nfs/dbraw/zinc/12/93/59/332129359.db2.gz FJRYNVXSMMCYLL-CABCVRRESA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000490922621 332129361 /nfs/dbraw/zinc/12/93/61/332129361.db2.gz FJRYNVXSMMCYLL-CABCVRRESA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN(C)CC[N@H+](C)C2CC2)CC1 ZINC000490984231 332135868 /nfs/dbraw/zinc/13/58/68/332135868.db2.gz DBLFIJGNGDGAQI-UHFFFAOYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN(C)CC[N@@H+](C)C2CC2)CC1 ZINC000490984231 332135869 /nfs/dbraw/zinc/13/58/69/332135869.db2.gz DBLFIJGNGDGAQI-UHFFFAOYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC000491037495 332141010 /nfs/dbraw/zinc/14/10/10/332141010.db2.gz DTPFMOHLQIKKRN-KBPBESRZSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC000491037495 332141012 /nfs/dbraw/zinc/14/10/12/332141012.db2.gz DTPFMOHLQIKKRN-KBPBESRZSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)[C@H](C)CC)CC1 ZINC000491144239 332155848 /nfs/dbraw/zinc/15/58/48/332155848.db2.gz HSRJLTQNBGSSSU-CQSZACIVSA-N 2 2 281.400 -0.143 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000491462552 332216153 /nfs/dbraw/zinc/21/61/53/332216153.db2.gz JHPHEEZNUWHGCI-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000491462552 332216154 /nfs/dbraw/zinc/21/61/54/332216154.db2.gz JHPHEEZNUWHGCI-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1COCC[NH+]1CC ZINC000491462552 332216155 /nfs/dbraw/zinc/21/61/55/332216155.db2.gz JHPHEEZNUWHGCI-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H]1COCC[NH+]1CC ZINC000491462552 332216156 /nfs/dbraw/zinc/21/61/56/332216156.db2.gz JHPHEEZNUWHGCI-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@](C)(C(N)=O)C(C)C)CC1 ZINC000491554353 332236804 /nfs/dbraw/zinc/23/68/04/332236804.db2.gz IJOVOABYCWCAMS-HNNXBMFYSA-N 2 2 294.399 -0.747 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)C[C@@H]2C)CC1 ZINC000491643263 332262207 /nfs/dbraw/zinc/26/22/07/332262207.db2.gz DUWJEZQPLPIQKW-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C[C@@H]2C)CC1 ZINC000491643263 332262208 /nfs/dbraw/zinc/26/22/08/332262208.db2.gz DUWJEZQPLPIQKW-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000491704465 332297841 /nfs/dbraw/zinc/29/78/41/332297841.db2.gz BMTFGVBREJJCNN-KGLIPLIRSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000491783883 332347235 /nfs/dbraw/zinc/34/72/35/332347235.db2.gz PTPVHDJXLTVMLB-AWEZNQCLSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000491783883 332347237 /nfs/dbraw/zinc/34/72/37/332347237.db2.gz PTPVHDJXLTVMLB-AWEZNQCLSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CCNC(=O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000491784630 332347882 /nfs/dbraw/zinc/34/78/82/332347882.db2.gz RENBJUIBWRFTCW-UHFFFAOYSA-N 2 2 275.356 -0.333 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(C)CCO[C@H]2C)CC1 ZINC000491787332 332349853 /nfs/dbraw/zinc/34/98/53/332349853.db2.gz WHGKFOISXLJMQD-DZGCQCFKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H](O)C2(C)C)CC1 ZINC000491810293 332362981 /nfs/dbraw/zinc/36/29/81/332362981.db2.gz ZAKXLDQMHONOLJ-QWHCGFSZSA-N 2 2 279.384 -0.487 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000730285880 582150013 /nfs/dbraw/zinc/15/00/13/582150013.db2.gz MKSMCPOVXOIRAH-AWEZNQCLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000730285880 582150014 /nfs/dbraw/zinc/15/00/14/582150014.db2.gz MKSMCPOVXOIRAH-AWEZNQCLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000730284960 582150133 /nfs/dbraw/zinc/15/01/33/582150133.db2.gz VWGCVOVIMRBNRY-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000730284960 582150134 /nfs/dbraw/zinc/15/01/34/582150134.db2.gz VWGCVOVIMRBNRY-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000730284960 582150136 /nfs/dbraw/zinc/15/01/36/582150136.db2.gz VWGCVOVIMRBNRY-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000730284960 582150137 /nfs/dbraw/zinc/15/01/37/582150137.db2.gz VWGCVOVIMRBNRY-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000750612695 582291585 /nfs/dbraw/zinc/29/15/85/582291585.db2.gz UGTKGYQLFOJADY-ZDUSSCGKSA-N 2 2 294.399 -0.780 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000750612695 582291586 /nfs/dbraw/zinc/29/15/86/582291586.db2.gz UGTKGYQLFOJADY-ZDUSSCGKSA-N 2 2 294.399 -0.780 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000764277558 582322964 /nfs/dbraw/zinc/32/29/64/582322964.db2.gz KGYPZYFOMJPRRR-UHFFFAOYSA-N 2 2 282.388 -0.616 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000768769126 582334589 /nfs/dbraw/zinc/33/45/89/582334589.db2.gz NCMGJMHPJHVHDG-OLZOCXBDSA-N 2 2 265.357 -0.924 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000768769126 582334590 /nfs/dbraw/zinc/33/45/90/582334590.db2.gz NCMGJMHPJHVHDG-OLZOCXBDSA-N 2 2 265.357 -0.924 20 30 CBEDLP N#CC[C@]1(O)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000829974928 582911368 /nfs/dbraw/zinc/91/13/68/582911368.db2.gz MCKNKZQEJTYPDJ-STQMWFEESA-N 2 2 253.346 -0.206 20 30 CBEDLP N#CC[C@]1(O)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000829974928 582911369 /nfs/dbraw/zinc/91/13/69/582911369.db2.gz MCKNKZQEJTYPDJ-STQMWFEESA-N 2 2 253.346 -0.206 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000832714234 583039025 /nfs/dbraw/zinc/03/90/25/583039025.db2.gz YXPFVFCTIZZIHB-UONOGXRCSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000832714234 583039027 /nfs/dbraw/zinc/03/90/27/583039027.db2.gz YXPFVFCTIZZIHB-UONOGXRCSA-N 2 2 279.384 -0.534 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000834504704 583127934 /nfs/dbraw/zinc/12/79/34/583127934.db2.gz DNDMPBCUUPKGBF-XBFCOCLRSA-N 2 2 292.383 -0.142 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000834504704 583127936 /nfs/dbraw/zinc/12/79/36/583127936.db2.gz DNDMPBCUUPKGBF-XBFCOCLRSA-N 2 2 292.383 -0.142 20 30 CBEDLP C#C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@@H]1CCCO1 ZINC000841881430 583176128 /nfs/dbraw/zinc/17/61/28/583176128.db2.gz QYSTVPMZYSWOHF-AVGNSLFASA-N 2 2 280.372 -0.549 20 30 CBEDLP C#C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@@H]1CCCO1 ZINC000841881430 583176132 /nfs/dbraw/zinc/17/61/32/583176132.db2.gz QYSTVPMZYSWOHF-AVGNSLFASA-N 2 2 280.372 -0.549 20 30 CBEDLP C[C@H](CO)N(C)[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000842542044 583185558 /nfs/dbraw/zinc/18/55/58/583185558.db2.gz WZTWGDWLJZFRBI-GFCCVEGCSA-N 2 2 292.387 -0.125 20 30 CBEDLP C[NH+]=C(NCCN1CCOCC1)NCc1c[nH+]cn1C ZINC000849029215 583469565 /nfs/dbraw/zinc/46/95/65/583469565.db2.gz LFVRWVURKGZBMJ-UHFFFAOYSA-N 2 2 280.376 -0.583 20 30 CBEDLP C[NH+]=C(NCCc1cn(C)c[nH+]1)NCCN1CCOCC1 ZINC000849040452 583471011 /nfs/dbraw/zinc/47/10/11/583471011.db2.gz VTCKMIXWGFQBRW-UHFFFAOYSA-N 2 2 294.403 -0.540 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C2CCC2)CC1 ZINC000852320188 583542965 /nfs/dbraw/zinc/54/29/65/583542965.db2.gz GZYHVOIACDEZRE-CQSZACIVSA-N 2 2 279.384 -0.486 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000852584814 583549235 /nfs/dbraw/zinc/54/92/35/583549235.db2.gz RTQOPHWWYZQTNH-KBPBESRZSA-N 2 2 291.395 -0.343 20 30 CBEDLP CNC(NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C)=[NH+]C ZINC000864356501 583880963 /nfs/dbraw/zinc/88/09/63/583880963.db2.gz QBIIQHPYTKKJJW-ZDUSSCGKSA-N 2 2 270.377 -0.603 20 30 CBEDLP CNC(NC[C@]1(CO)COCC2(CCC2)[N@H+]1C)=[NH+]C ZINC000864356501 583880965 /nfs/dbraw/zinc/88/09/65/583880965.db2.gz QBIIQHPYTKKJJW-ZDUSSCGKSA-N 2 2 270.377 -0.603 20 30 CBEDLP C[N@@H+]1CCn2nc(NC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)cc2C1 ZINC000868206405 583972709 /nfs/dbraw/zinc/97/27/09/583972709.db2.gz XHBHBWCTPGWZOB-KOLCDFICSA-N 2 2 289.343 -0.438 20 30 CBEDLP C[N@H+]1CCn2nc(NC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)cc2C1 ZINC000868206405 583972712 /nfs/dbraw/zinc/97/27/12/583972712.db2.gz XHBHBWCTPGWZOB-KOLCDFICSA-N 2 2 289.343 -0.438 20 30 CBEDLP C[N@@H+]1CCn2nc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)cc2C1 ZINC000868206412 583972790 /nfs/dbraw/zinc/97/27/90/583972790.db2.gz XHBHBWCTPGWZOB-MWLCHTKSSA-N 2 2 289.343 -0.438 20 30 CBEDLP C[N@H+]1CCn2nc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)cc2C1 ZINC000868206412 583972792 /nfs/dbraw/zinc/97/27/92/583972792.db2.gz XHBHBWCTPGWZOB-MWLCHTKSSA-N 2 2 289.343 -0.438 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878867234 584219612 /nfs/dbraw/zinc/21/96/12/584219612.db2.gz ILIWOZNHLSOVET-OCCSQVGLSA-N 2 2 267.373 -0.487 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878867234 584219613 /nfs/dbraw/zinc/21/96/13/584219613.db2.gz ILIWOZNHLSOVET-OCCSQVGLSA-N 2 2 267.373 -0.487 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879998429 584259137 /nfs/dbraw/zinc/25/91/37/584259137.db2.gz RTXDENXWAHFKJU-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879998429 584259138 /nfs/dbraw/zinc/25/91/38/584259138.db2.gz RTXDENXWAHFKJU-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2CO)CC1 ZINC000880439071 584274089 /nfs/dbraw/zinc/27/40/89/584274089.db2.gz KIWBOQLLIMPSQF-ZIAGYGMSSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2CO)CC1 ZINC000880439071 584274090 /nfs/dbraw/zinc/27/40/90/584274090.db2.gz KIWBOQLLIMPSQF-ZIAGYGMSSA-N 2 2 279.384 -0.391 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(C[NH2+]C)CC1 ZINC000884028050 584356451 /nfs/dbraw/zinc/35/64/51/584356451.db2.gz WCLSDPNWAUQKMT-LBPRGKRZSA-N 2 2 283.372 -0.109 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000884031063 584356666 /nfs/dbraw/zinc/35/66/66/584356666.db2.gz FNFKMSXZZBWPRK-ZJUUUORDSA-N 2 2 255.318 -0.747 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000884237111 584369289 /nfs/dbraw/zinc/36/92/89/584369289.db2.gz RGBJINLTXKHVLP-NEPJUHHUSA-N 2 2 281.356 -0.214 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000884251559 584370215 /nfs/dbraw/zinc/37/02/15/584370215.db2.gz KJCPUDIMXKSEPF-LBPRGKRZSA-N 2 2 283.372 -0.014 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000884289583 584372583 /nfs/dbraw/zinc/37/25/83/584372583.db2.gz DSYURQNYAJFSLX-IUCAKERBSA-N 2 2 291.298 -0.502 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000884401293 584379074 /nfs/dbraw/zinc/37/90/74/584379074.db2.gz KHHDZELOPJNHQN-MNOVXSKESA-N 2 2 271.361 -0.111 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000884453293 584382457 /nfs/dbraw/zinc/38/24/57/584382457.db2.gz KUNOJQXUDHFRPU-QWHCGFSZSA-N 2 2 295.383 -0.014 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884458942 584382988 /nfs/dbraw/zinc/38/29/88/584382988.db2.gz QYOOWZRJKYTKLR-UTLUCORTSA-N 2 2 255.318 -0.619 20 30 CBEDLP C#CCN1C(=O)C[C@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000899252024 584755036 /nfs/dbraw/zinc/75/50/36/584755036.db2.gz GFIWPCRXAQNGHM-XUJVJEKNSA-N 2 2 275.352 -0.369 20 30 CBEDLP C#CCN1C(=O)C[C@H]([NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000899252024 584755038 /nfs/dbraw/zinc/75/50/38/584755038.db2.gz GFIWPCRXAQNGHM-XUJVJEKNSA-N 2 2 275.352 -0.369 20 30 CBEDLP C#CCN1C(=O)C[C@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000899252024 584755040 /nfs/dbraw/zinc/75/50/40/584755040.db2.gz GFIWPCRXAQNGHM-XUJVJEKNSA-N 2 2 275.352 -0.369 20 30 CBEDLP C#CCN1C(=O)C[C@H]([N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000899252024 584755041 /nfs/dbraw/zinc/75/50/41/584755041.db2.gz GFIWPCRXAQNGHM-XUJVJEKNSA-N 2 2 275.352 -0.369 20 30 CBEDLP C#CCN1C(=O)C[C@@H]([NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000899252023 584755114 /nfs/dbraw/zinc/75/51/14/584755114.db2.gz GFIWPCRXAQNGHM-JMSVASOKSA-N 2 2 275.352 -0.369 20 30 CBEDLP C#CCN1C(=O)C[C@@H]([NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000899252023 584755115 /nfs/dbraw/zinc/75/51/15/584755115.db2.gz GFIWPCRXAQNGHM-JMSVASOKSA-N 2 2 275.352 -0.369 20 30 CBEDLP C#CCN1C(=O)C[C@@H]([N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000899252023 584755116 /nfs/dbraw/zinc/75/51/16/584755116.db2.gz GFIWPCRXAQNGHM-JMSVASOKSA-N 2 2 275.352 -0.369 20 30 CBEDLP C#CCN1C(=O)C[C@@H]([N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000899252023 584755117 /nfs/dbraw/zinc/75/51/17/584755117.db2.gz GFIWPCRXAQNGHM-JMSVASOKSA-N 2 2 275.352 -0.369 20 30 CBEDLP C=C(CC[NH+](C)C)C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000900202018 584795155 /nfs/dbraw/zinc/79/51/55/584795155.db2.gz BZITVNNWVHRIIE-UHFFFAOYSA-N 2 2 296.415 -0.225 20 30 CBEDLP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000981686560 613143387 /nfs/dbraw/zinc/14/33/87/613143387.db2.gz SQRNLJYEYJZGNI-CQSZACIVSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981686560 613143389 /nfs/dbraw/zinc/14/33/89/613143389.db2.gz SQRNLJYEYJZGNI-CQSZACIVSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686560 613143390 /nfs/dbraw/zinc/14/33/90/613143390.db2.gz SQRNLJYEYJZGNI-CQSZACIVSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686560 613143392 /nfs/dbraw/zinc/14/33/92/613143392.db2.gz SQRNLJYEYJZGNI-CQSZACIVSA-N 2 2 291.395 -0.125 20 30 CBEDLP COCC[N@H+](C)CCNC(=[NH2+])N1CCSCC1 ZINC000303979786 656140239 /nfs/dbraw/zinc/14/02/39/656140239.db2.gz NNNRDWXFJFJMEB-UHFFFAOYSA-N 2 2 260.407 -0.072 20 30 CBEDLP COCC[N@@H+](C)CCNC(=[NH2+])N1CCSCC1 ZINC000303979786 656140240 /nfs/dbraw/zinc/14/02/40/656140240.db2.gz NNNRDWXFJFJMEB-UHFFFAOYSA-N 2 2 260.407 -0.072 20 30 CBEDLP C#CC1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000708159994 656192158 /nfs/dbraw/zinc/19/21/58/656192158.db2.gz TZPWQIAHSAGYEP-CYBMUJFWSA-N 2 2 252.358 -0.098 20 30 CBEDLP C#CC1(O)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000708159994 656192162 /nfs/dbraw/zinc/19/21/62/656192162.db2.gz TZPWQIAHSAGYEP-CYBMUJFWSA-N 2 2 252.358 -0.098 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCN1C ZINC000896561305 656289732 /nfs/dbraw/zinc/28/97/32/656289732.db2.gz YIADDHWLEXCFDO-SOUVJXGZSA-N 2 2 292.427 -0.166 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCN1C ZINC000896561305 656289736 /nfs/dbraw/zinc/28/97/36/656289736.db2.gz YIADDHWLEXCFDO-SOUVJXGZSA-N 2 2 292.427 -0.166 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896561305 656289740 /nfs/dbraw/zinc/28/97/40/656289740.db2.gz YIADDHWLEXCFDO-SOUVJXGZSA-N 2 2 292.427 -0.166 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896561305 656289743 /nfs/dbraw/zinc/28/97/43/656289743.db2.gz YIADDHWLEXCFDO-SOUVJXGZSA-N 2 2 292.427 -0.166 20 30 CBEDLP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001007005412 656985158 /nfs/dbraw/zinc/98/51/58/656985158.db2.gz XPGBVYBPCNFQLE-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP 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806469910 /nfs/dbraw/zinc/46/99/10/806469910.db2.gz MEGXOZJUOGEKFJ-OCCSQVGLSA-N 2 2 288.351 -0.444 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059424 806484951 /nfs/dbraw/zinc/48/49/51/806484951.db2.gz IKENCSQWRCPIEH-OLZOCXBDSA-N 2 2 278.356 -0.071 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059424 806484957 /nfs/dbraw/zinc/48/49/57/806484957.db2.gz IKENCSQWRCPIEH-OLZOCXBDSA-N 2 2 278.356 -0.071 20 30 CBEDLP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084911058 806541195 /nfs/dbraw/zinc/54/11/95/806541195.db2.gz MCOUBTXEHPGDFX-ILXRZTDVSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084911058 806541199 /nfs/dbraw/zinc/54/11/99/806541199.db2.gz MCOUBTXEHPGDFX-ILXRZTDVSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911058 806541204 /nfs/dbraw/zinc/54/12/04/806541204.db2.gz MCOUBTXEHPGDFX-ILXRZTDVSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911058 806541207 /nfs/dbraw/zinc/54/12/07/806541207.db2.gz MCOUBTXEHPGDFX-ILXRZTDVSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084911059 806542088 /nfs/dbraw/zinc/54/20/88/806542088.db2.gz MCOUBTXEHPGDFX-QLFBSQMISA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084911059 806542090 /nfs/dbraw/zinc/54/20/90/806542090.db2.gz MCOUBTXEHPGDFX-QLFBSQMISA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911059 806542091 /nfs/dbraw/zinc/54/20/91/806542091.db2.gz MCOUBTXEHPGDFX-QLFBSQMISA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911059 806542096 /nfs/dbraw/zinc/54/20/96/806542096.db2.gz MCOUBTXEHPGDFX-QLFBSQMISA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085530528 806570456 /nfs/dbraw/zinc/57/04/56/806570456.db2.gz AGMXGSTXINTNQT-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085530528 806570463 /nfs/dbraw/zinc/57/04/63/806570463.db2.gz AGMXGSTXINTNQT-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085530528 806570469 /nfs/dbraw/zinc/57/04/69/806570469.db2.gz AGMXGSTXINTNQT-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085530528 806570474 /nfs/dbraw/zinc/57/04/74/806570474.db2.gz AGMXGSTXINTNQT-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCO ZINC001085646779 806589206 /nfs/dbraw/zinc/58/92/06/806589206.db2.gz PRAWXOPMERCGLF-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCO ZINC001085646779 806589211 /nfs/dbraw/zinc/58/92/11/806589211.db2.gz PRAWXOPMERCGLF-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCO ZINC001085646779 806589219 /nfs/dbraw/zinc/58/92/19/806589219.db2.gz PRAWXOPMERCGLF-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCO ZINC001085646779 806589226 /nfs/dbraw/zinc/58/92/26/806589226.db2.gz PRAWXOPMERCGLF-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024375729 798935066 /nfs/dbraw/zinc/93/50/66/798935066.db2.gz WGDMIPSIPPXZKT-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024375729 798935073 /nfs/dbraw/zinc/93/50/73/798935073.db2.gz WGDMIPSIPPXZKT-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375729 798935076 /nfs/dbraw/zinc/93/50/76/798935076.db2.gz WGDMIPSIPPXZKT-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375729 798935082 /nfs/dbraw/zinc/93/50/82/798935082.db2.gz WGDMIPSIPPXZKT-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001027940545 799097350 /nfs/dbraw/zinc/09/73/50/799097350.db2.gz NQWULBRDUXIDCY-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCO ZINC001027940545 799097358 /nfs/dbraw/zinc/09/73/58/799097358.db2.gz NQWULBRDUXIDCY-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCO ZINC001027940545 799097367 /nfs/dbraw/zinc/09/73/67/799097367.db2.gz NQWULBRDUXIDCY-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCO ZINC001027940545 799097373 /nfs/dbraw/zinc/09/73/73/799097373.db2.gz NQWULBRDUXIDCY-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966826 799099924 /nfs/dbraw/zinc/09/99/24/799099924.db2.gz WAJNAAYMCGLHHV-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966826 799099931 /nfs/dbraw/zinc/09/99/31/799099931.db2.gz WAJNAAYMCGLHHV-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966826 799099938 /nfs/dbraw/zinc/09/99/38/799099938.db2.gz WAJNAAYMCGLHHV-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966826 799099945 /nfs/dbraw/zinc/09/99/45/799099945.db2.gz WAJNAAYMCGLHHV-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031593251 799515603 /nfs/dbraw/zinc/51/56/03/799515603.db2.gz AXGCNXYBJJLQGC-LBPRGKRZSA-N 2 2 253.346 -0.449 20 30 CBEDLP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031593251 799515605 /nfs/dbraw/zinc/51/56/05/799515605.db2.gz AXGCNXYBJJLQGC-LBPRGKRZSA-N 2 2 253.346 -0.449 20 30 CBEDLP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031596891 799517162 /nfs/dbraw/zinc/51/71/62/799517162.db2.gz RKWPBNLFHMUQJX-ZDUSSCGKSA-N 2 2 265.357 -0.612 20 30 CBEDLP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031596891 799517167 /nfs/dbraw/zinc/51/71/67/799517167.db2.gz RKWPBNLFHMUQJX-ZDUSSCGKSA-N 2 2 265.357 -0.612 20 30 CBEDLP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001032201406 799593820 /nfs/dbraw/zinc/59/38/20/799593820.db2.gz BNWKASYLZRNHFK-ZDUSSCGKSA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001032201406 799593823 /nfs/dbraw/zinc/59/38/23/799593823.db2.gz BNWKASYLZRNHFK-ZDUSSCGKSA-N 2 2 267.373 -0.059 20 30 CBEDLP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001033679859 799780236 /nfs/dbraw/zinc/78/02/36/799780236.db2.gz MHDKCGDKWLHTJY-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001033679859 799780237 /nfs/dbraw/zinc/78/02/37/799780237.db2.gz MHDKCGDKWLHTJY-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033679859 799780244 /nfs/dbraw/zinc/78/02/44/799780244.db2.gz MHDKCGDKWLHTJY-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033679859 799780248 /nfs/dbraw/zinc/78/02/48/799780248.db2.gz MHDKCGDKWLHTJY-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035599827 799951333 /nfs/dbraw/zinc/95/13/33/799951333.db2.gz MFDGZFAGYCAKFA-OLZOCXBDSA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001035599827 799951338 /nfs/dbraw/zinc/95/13/38/799951338.db2.gz MFDGZFAGYCAKFA-OLZOCXBDSA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035599827 799951345 /nfs/dbraw/zinc/95/13/45/799951345.db2.gz MFDGZFAGYCAKFA-OLZOCXBDSA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035599827 799951350 /nfs/dbraw/zinc/95/13/50/799951350.db2.gz MFDGZFAGYCAKFA-OLZOCXBDSA-N 2 2 267.373 -0.059 20 30 CBEDLP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038398632 800106681 /nfs/dbraw/zinc/10/66/81/800106681.db2.gz HOCYUNXSRLYSEZ-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038398632 800106694 /nfs/dbraw/zinc/10/66/94/800106694.db2.gz HOCYUNXSRLYSEZ-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038398632 800106699 /nfs/dbraw/zinc/10/66/99/800106699.db2.gz HOCYUNXSRLYSEZ-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038398632 800106702 /nfs/dbraw/zinc/10/67/02/800106702.db2.gz HOCYUNXSRLYSEZ-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001038625988 801228304 /nfs/dbraw/zinc/22/83/04/801228304.db2.gz YGAHJRJVPJQYSH-KGLIPLIRSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001038625988 801228310 /nfs/dbraw/zinc/22/83/10/801228310.db2.gz YGAHJRJVPJQYSH-KGLIPLIRSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038625988 801228315 /nfs/dbraw/zinc/22/83/15/801228315.db2.gz YGAHJRJVPJQYSH-KGLIPLIRSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038625988 801228318 /nfs/dbraw/zinc/22/83/18/801228318.db2.gz YGAHJRJVPJQYSH-KGLIPLIRSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001039047796 801285022 /nfs/dbraw/zinc/28/50/22/801285022.db2.gz QSIABJVXVCBKTL-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001039047796 801285028 /nfs/dbraw/zinc/28/50/28/801285028.db2.gz QSIABJVXVCBKTL-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039047796 801285035 /nfs/dbraw/zinc/28/50/35/801285035.db2.gz QSIABJVXVCBKTL-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039047796 801285038 /nfs/dbraw/zinc/28/50/38/801285038.db2.gz QSIABJVXVCBKTL-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCCO)C2)CC1 ZINC001044332274 801642053 /nfs/dbraw/zinc/64/20/53/801642053.db2.gz CPNMKBJZMGPYEJ-UHFFFAOYSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001045398258 801695996 /nfs/dbraw/zinc/69/59/96/801695996.db2.gz XVCHSDUXKFQUOJ-ZDUSSCGKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001045398258 801696001 /nfs/dbraw/zinc/69/60/01/801696001.db2.gz XVCHSDUXKFQUOJ-ZDUSSCGKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047442189 801875036 /nfs/dbraw/zinc/87/50/36/801875036.db2.gz SNELWUSNLYSWGT-KBPBESRZSA-N 2 2 291.395 -0.249 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047442189 801875045 /nfs/dbraw/zinc/87/50/45/801875045.db2.gz SNELWUSNLYSWGT-KBPBESRZSA-N 2 2 291.395 -0.249 20 30 CBEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627933 801913960 /nfs/dbraw/zinc/91/39/60/801913960.db2.gz AMKOIYIBQDQNAJ-STQMWFEESA-N 2 2 267.373 -0.228 20 30 CBEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627933 801913965 /nfs/dbraw/zinc/91/39/65/801913965.db2.gz AMKOIYIBQDQNAJ-STQMWFEESA-N 2 2 267.373 -0.228 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131370 802000561 /nfs/dbraw/zinc/00/05/61/802000561.db2.gz JFUBTBOBBPKYKA-TXEJJXNPSA-N 2 2 258.325 -0.024 20 30 CBEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131370 802000569 /nfs/dbraw/zinc/00/05/69/802000569.db2.gz JFUBTBOBBPKYKA-TXEJJXNPSA-N 2 2 258.325 -0.024 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049247809 802008888 /nfs/dbraw/zinc/00/88/88/802008888.db2.gz MYDIGPBMXLOJJG-BETUJISGSA-N 2 2 258.325 -0.094 20 30 CBEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049247809 802008897 /nfs/dbraw/zinc/00/88/97/802008897.db2.gz MYDIGPBMXLOJJG-BETUJISGSA-N 2 2 258.325 -0.094 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001121932616 813091918 /nfs/dbraw/zinc/09/19/18/813091918.db2.gz YIAFZNGBPRUWGR-CKYFFXLPSA-N 2 2 259.313 -0.327 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149135045 814972972 /nfs/dbraw/zinc/97/29/72/814972972.db2.gz NZQJUJUMNMMABZ-LLVKDONJSA-N 2 2 293.371 -0.343 20 30 CBEDLP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073562553 805388546 /nfs/dbraw/zinc/38/85/46/805388546.db2.gz XQKWLOGAOHAFAZ-UONOGXRCSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073562553 805388555 /nfs/dbraw/zinc/38/85/55/805388555.db2.gz XQKWLOGAOHAFAZ-UONOGXRCSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073562553 805388565 /nfs/dbraw/zinc/38/85/65/805388565.db2.gz XQKWLOGAOHAFAZ-UONOGXRCSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073562553 805388571 /nfs/dbraw/zinc/38/85/71/805388571.db2.gz XQKWLOGAOHAFAZ-UONOGXRCSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073562551 805389578 /nfs/dbraw/zinc/38/95/78/805389578.db2.gz XQKWLOGAOHAFAZ-KBPBESRZSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073562551 805389588 /nfs/dbraw/zinc/38/95/88/805389588.db2.gz XQKWLOGAOHAFAZ-KBPBESRZSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073562551 805389597 /nfs/dbraw/zinc/38/95/97/805389597.db2.gz XQKWLOGAOHAFAZ-KBPBESRZSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073562551 805389608 /nfs/dbraw/zinc/38/96/08/805389608.db2.gz XQKWLOGAOHAFAZ-KBPBESRZSA-N 2 2 295.383 -0.843 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153499947 815164119 /nfs/dbraw/zinc/16/41/19/815164119.db2.gz AUVMEHYWYANKFI-LLVKDONJSA-N 2 2 279.344 -0.720 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089053054 810376139 /nfs/dbraw/zinc/37/61/39/810376139.db2.gz IXVLXKXATCTBDS-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089053054 810376143 /nfs/dbraw/zinc/37/61/43/810376143.db2.gz IXVLXKXATCTBDS-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053054 810376146 /nfs/dbraw/zinc/37/61/46/810376146.db2.gz IXVLXKXATCTBDS-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053054 810376148 /nfs/dbraw/zinc/37/61/48/810376148.db2.gz IXVLXKXATCTBDS-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808712 810568787 /nfs/dbraw/zinc/56/87/87/810568787.db2.gz OCKUDGCEXUMKAG-KGLIPLIRSA-N 2 2 290.367 -0.234 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090808712 810568793 /nfs/dbraw/zinc/56/87/93/810568793.db2.gz OCKUDGCEXUMKAG-KGLIPLIRSA-N 2 2 290.367 -0.234 20 30 CBEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847120 810575266 /nfs/dbraw/zinc/57/52/66/810575266.db2.gz NTQPXDBXSONWCP-NWDGAFQWSA-N 2 2 264.329 -0.380 20 30 CBEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847120 810575270 /nfs/dbraw/zinc/57/52/70/810575270.db2.gz NTQPXDBXSONWCP-NWDGAFQWSA-N 2 2 264.329 -0.380 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099805230 810944730 /nfs/dbraw/zinc/94/47/30/810944730.db2.gz YVQOSMZTYIFGTR-QWHCGFSZSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099805230 810944735 /nfs/dbraw/zinc/94/47/35/810944735.db2.gz YVQOSMZTYIFGTR-QWHCGFSZSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940459 810972429 /nfs/dbraw/zinc/97/24/29/810972429.db2.gz VWYSPRPRZXVLPU-UONOGXRCSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940459 810972433 /nfs/dbraw/zinc/97/24/33/810972433.db2.gz VWYSPRPRZXVLPU-UONOGXRCSA-N 2 2 290.367 -0.152 20 30 CBEDLP CC#CC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001317441336 816979048 /nfs/dbraw/zinc/97/90/48/816979048.db2.gz KJKLXPJPJGJKDF-GFCCVEGCSA-N 2 2 253.346 -0.612 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100093813 811016122 /nfs/dbraw/zinc/01/61/22/811016122.db2.gz BZMSOUBIMHSGSZ-ZIAGYGMSSA-N 2 2 290.367 -0.463 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100093813 811016128 /nfs/dbraw/zinc/01/61/28/811016128.db2.gz BZMSOUBIMHSGSZ-ZIAGYGMSSA-N 2 2 290.367 -0.463 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100139588 811029192 /nfs/dbraw/zinc/02/91/92/811029192.db2.gz UDJLHXSCHFFKBY-ZIAGYGMSSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100139588 811029199 /nfs/dbraw/zinc/02/91/99/811029199.db2.gz UDJLHXSCHFFKBY-ZIAGYGMSSA-N 2 2 290.367 -0.152 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157257361 815415829 /nfs/dbraw/zinc/41/58/29/815415829.db2.gz QAGHXMQWAKSVFE-UHFFFAOYSA-N 2 2 293.371 -0.260 20 30 CBEDLP CC#CC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001317441336 816979052 /nfs/dbraw/zinc/97/90/52/816979052.db2.gz KJKLXPJPJGJKDF-GFCCVEGCSA-N 2 2 253.346 -0.612 20 30 CBEDLP CC#CC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317441336 816979055 /nfs/dbraw/zinc/97/90/55/816979055.db2.gz KJKLXPJPJGJKDF-GFCCVEGCSA-N 2 2 253.346 -0.612 20 30 CBEDLP CC#CC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317441336 816979058 /nfs/dbraw/zinc/97/90/58/816979058.db2.gz KJKLXPJPJGJKDF-GFCCVEGCSA-N 2 2 253.346 -0.612 20 30 CBEDLP N#Cc1ccccc1N1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001157474346 815437770 /nfs/dbraw/zinc/43/77/70/815437770.db2.gz OHMXRIZAZCLRFV-KGLIPLIRSA-N 2 2 299.378 -0.104 20 30 CBEDLP C=CC[NH+]1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569471 811459136 /nfs/dbraw/zinc/45/91/36/811459136.db2.gz JIGGPACJFSKCEI-LBPRGKRZSA-N 2 2 294.399 -0.475 20 30 CBEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114644893 811758373 /nfs/dbraw/zinc/75/83/73/811758373.db2.gz ORFRIORTCBXUOF-IMRBUKKESA-N 2 2 258.325 -0.047 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114644893 811758382 /nfs/dbraw/zinc/75/83/82/811758382.db2.gz ORFRIORTCBXUOF-IMRBUKKESA-N 2 2 258.325 -0.047 20 30 CBEDLP C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@@H]1C[N@H+](C)CCN1C ZINC001120589931 812997849 /nfs/dbraw/zinc/99/78/49/812997849.db2.gz HJOMRFPCTDPGPR-ZNMIVQPWSA-N 2 2 297.447 -0.583 20 30 CBEDLP C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@@H]1C[N@@H+](C)CCN1C ZINC001120589931 812997854 /nfs/dbraw/zinc/99/78/54/812997854.db2.gz HJOMRFPCTDPGPR-ZNMIVQPWSA-N 2 2 297.447 -0.583 20 30 CBEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125215059 813533433 /nfs/dbraw/zinc/53/34/33/813533433.db2.gz ZYTBYRVRRWOSLJ-SNVBAGLBSA-N 2 2 261.753 -0.225 20 30 CBEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125215059 813533440 /nfs/dbraw/zinc/53/34/40/813533440.db2.gz ZYTBYRVRRWOSLJ-SNVBAGLBSA-N 2 2 261.753 -0.225 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130478182 813943950 /nfs/dbraw/zinc/94/39/50/813943950.db2.gz VDXPLDXIMLRRCA-ZDUSSCGKSA-N 2 2 290.367 -0.199 20 30 CBEDLP C#CCC[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255335 814233171 /nfs/dbraw/zinc/23/31/71/814233171.db2.gz NGPJDVGTNAEFSJ-ZDUSSCGKSA-N 2 2 291.355 -0.814 20 30 CBEDLP C#CCC[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133255335 814233174 /nfs/dbraw/zinc/23/31/74/814233174.db2.gz NGPJDVGTNAEFSJ-ZDUSSCGKSA-N 2 2 291.355 -0.814 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049800 814346029 /nfs/dbraw/zinc/34/60/29/814346029.db2.gz PFTFGAJNDIYYJG-CHWSQXEVSA-N 2 2 290.367 -0.121 20 30 CBEDLP C=CCN1CC[C@@H]([NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001134394300 814379868 /nfs/dbraw/zinc/37/98/68/814379868.db2.gz YNVWNHXBDDIGNL-GFCCVEGCSA-N 2 2 291.355 -0.555 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134399542 814380329 /nfs/dbraw/zinc/38/03/29/814380329.db2.gz CIZVCXVDIVDWQQ-JTQLQIEISA-N 2 2 279.344 -0.651 20 30 CBEDLP C#CC[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134614001 814400030 /nfs/dbraw/zinc/40/00/30/814400030.db2.gz RPMKDAXHWUFYIF-UHFFFAOYSA-N 2 2 279.384 -0.030 20 30 CBEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080432 814435427 /nfs/dbraw/zinc/43/54/27/814435427.db2.gz TYGYKUUYWLUXDA-LLVKDONJSA-N 2 2 291.355 -0.957 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871759 814920909 /nfs/dbraw/zinc/92/09/09/814920909.db2.gz LAEPAJHDLNTLGZ-UHFFFAOYSA-N 2 2 264.329 -0.682 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)CC1 ZINC001160431694 815621206 /nfs/dbraw/zinc/62/12/06/815621206.db2.gz ATZNLLMZJVTTKJ-LLVKDONJSA-N 2 2 283.376 -0.908 20 30 CBEDLP N#CCCN(CCC#N)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160751258 815666631 /nfs/dbraw/zinc/66/66/31/815666631.db2.gz SGQZTSOSLPOHGA-NSHDSACASA-N 2 2 260.301 -0.065 20 30 CBEDLP N#CCNC(=O)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163588155 815890859 /nfs/dbraw/zinc/89/08/59/815890859.db2.gz BJEPTWXMPPPDIH-UHFFFAOYSA-N 2 2 292.343 -0.991 20 30 CBEDLP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(=O)NCC#N ZINC001317451497 816983376 /nfs/dbraw/zinc/98/33/76/816983376.db2.gz NJMNXNBKXLPJIN-GFCCVEGCSA-N 2 2 295.387 -0.842 20 30 CBEDLP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC(=O)NCC#N ZINC001317451497 816983378 /nfs/dbraw/zinc/98/33/78/816983378.db2.gz NJMNXNBKXLPJIN-GFCCVEGCSA-N 2 2 295.387 -0.842 20 30 CBEDLP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(=O)NCC#N ZINC001317451497 816983382 /nfs/dbraw/zinc/98/33/82/816983382.db2.gz NJMNXNBKXLPJIN-GFCCVEGCSA-N 2 2 295.387 -0.842 20 30 CBEDLP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)CC(=O)NCC#N ZINC001317451497 816983385 /nfs/dbraw/zinc/98/33/85/816983385.db2.gz NJMNXNBKXLPJIN-GFCCVEGCSA-N 2 2 295.387 -0.842 20 30 CBEDLP C#CC[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001320061701 817273141 /nfs/dbraw/zinc/27/31/41/817273141.db2.gz MINLYLFATNJBLI-UHFFFAOYSA-N 2 2 267.373 -0.268 20 30 CBEDLP C#CC[N@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001320061701 817273147 /nfs/dbraw/zinc/27/31/47/817273147.db2.gz MINLYLFATNJBLI-UHFFFAOYSA-N 2 2 267.373 -0.268 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001320282461 817312273 /nfs/dbraw/zinc/31/22/73/817312273.db2.gz HXFSPZXQOSAHFW-QWHCGFSZSA-N 2 2 278.356 -0.076 20 30 CBEDLP N#C[C@@H]1C[NH2+]CCN1c1ccc(N2CC[NH2+]CC2)nn1 ZINC001164640535 819933935 /nfs/dbraw/zinc/93/39/35/819933935.db2.gz BNOOCSDRDDBUHK-LLVKDONJSA-N 2 2 273.344 -0.812 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167350016 820084306 /nfs/dbraw/zinc/08/43/06/820084306.db2.gz OGALGGKFYOYMRZ-NSHDSACASA-N 2 2 293.371 -0.261 20 30 CBEDLP COCC#CC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355488 820085481 /nfs/dbraw/zinc/08/54/81/820085481.db2.gz LEAQNECCBAFUNN-UHFFFAOYSA-N 2 2 264.329 -0.302 20 30 CBEDLP CCc1nc(C#N)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071411 820205100 /nfs/dbraw/zinc/20/51/00/820205100.db2.gz CGVXQPZVJKMIAK-SECBINFHSA-N 2 2 272.312 -0.042 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169229329 820215111 /nfs/dbraw/zinc/21/51/11/820215111.db2.gz XRKBOBUSTYXNMO-LLVKDONJSA-N 2 2 293.371 -0.261 20 30 CBEDLP C#CC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176675610 820456517 /nfs/dbraw/zinc/45/65/17/820456517.db2.gz KPLUCOJXKDSNBP-CQSZACIVSA-N 2 2 279.384 -0.174 20 30 CBEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414175 820580351 /nfs/dbraw/zinc/58/03/51/820580351.db2.gz GKFFQJQWSCBHPN-MELADBBJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414175 820580358 /nfs/dbraw/zinc/58/03/58/820580358.db2.gz GKFFQJQWSCBHPN-MELADBBJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001183044520 820968188 /nfs/dbraw/zinc/96/81/88/820968188.db2.gz JGIHQZRGVYTBJF-CYBMUJFWSA-N 2 2 295.383 -0.046 20 30 CBEDLP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001183044520 820968196 /nfs/dbraw/zinc/96/81/96/820968196.db2.gz JGIHQZRGVYTBJF-CYBMUJFWSA-N 2 2 295.383 -0.046 20 30 CBEDLP C#CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001280609319 828366128 /nfs/dbraw/zinc/36/61/28/828366128.db2.gz KIZGADIUXPEZEC-ZDUSSCGKSA-N 2 2 290.367 -0.197 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368573 822333063 /nfs/dbraw/zinc/33/30/63/822333063.db2.gz AZPXUGQCRDERAW-GFCCVEGCSA-N 2 2 291.355 -0.624 20 30 CBEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001282887359 828462188 /nfs/dbraw/zinc/46/21/88/828462188.db2.gz FIYZHOYXXGBDGY-CNDDSTCGSA-N 2 2 258.325 -0.121 20 30 CBEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001282887359 828462191 /nfs/dbraw/zinc/46/21/91/828462191.db2.gz FIYZHOYXXGBDGY-CNDDSTCGSA-N 2 2 258.325 -0.121 20 30 CBEDLP C#CC[NH2+][C@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001283754622 828542180 /nfs/dbraw/zinc/54/21/80/828542180.db2.gz CMAXFQVVRFMLBA-ZDUSSCGKSA-N 2 2 286.335 -0.044 20 30 CBEDLP C#CC[NH2+][C@H](CO)CNC(=O)CCCn1cc[nH+]c1 ZINC001283832322 828555427 /nfs/dbraw/zinc/55/54/27/828555427.db2.gz UDIQGANISQAMKU-LBPRGKRZSA-N 2 2 264.329 -0.637 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195972655 824140074 /nfs/dbraw/zinc/14/00/74/824140074.db2.gz IIZUMGKTMPDXBC-JHJVBQTASA-N 2 2 267.373 -0.633 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195972655 824140075 /nfs/dbraw/zinc/14/00/75/824140075.db2.gz IIZUMGKTMPDXBC-JHJVBQTASA-N 2 2 267.373 -0.633 20 30 CBEDLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1O ZINC001198029712 824214941 /nfs/dbraw/zinc/21/49/41/824214941.db2.gz WDTJNRNNPMURBN-ZIAGYGMSSA-N 2 2 297.399 -0.861 20 30 CBEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@H]1O ZINC001198029712 824214946 /nfs/dbraw/zinc/21/49/46/824214946.db2.gz WDTJNRNNPMURBN-ZIAGYGMSSA-N 2 2 297.399 -0.861 20 30 CBEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001198029712 824214952 /nfs/dbraw/zinc/21/49/52/824214952.db2.gz WDTJNRNNPMURBN-ZIAGYGMSSA-N 2 2 297.399 -0.861 20 30 CBEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001198029712 824214958 /nfs/dbraw/zinc/21/49/58/824214958.db2.gz WDTJNRNNPMURBN-ZIAGYGMSSA-N 2 2 297.399 -0.861 20 30 CBEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202216343 824342741 /nfs/dbraw/zinc/34/27/41/824342741.db2.gz DAPOITSYEWFWTD-CYBMUJFWSA-N 2 2 276.340 -0.277 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219551388 824727370 /nfs/dbraw/zinc/72/73/70/824727370.db2.gz YVZRTSUVDLCWSX-NEPJUHHUSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219551388 824727378 /nfs/dbraw/zinc/72/73/78/824727378.db2.gz YVZRTSUVDLCWSX-NEPJUHHUSA-N 2 2 276.340 -0.473 20 30 CBEDLP N#CN=C(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccncc1 ZINC001219972374 824926273 /nfs/dbraw/zinc/92/62/73/824926273.db2.gz OFHCEOYAAUFFEV-NSHDSACASA-N 2 2 283.295 -0.281 20 30 CBEDLP C[NH+]1CC(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001220013085 824934592 /nfs/dbraw/zinc/93/45/92/824934592.db2.gz IJDQKXRVPBVPHQ-ZDUSSCGKSA-N 2 2 258.325 -0.142 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220102152 824954480 /nfs/dbraw/zinc/95/44/80/824954480.db2.gz LZGJRYAEFBRQJV-NEPJUHHUSA-N 2 2 264.329 -0.380 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220102152 824954484 /nfs/dbraw/zinc/95/44/84/824954484.db2.gz LZGJRYAEFBRQJV-NEPJUHHUSA-N 2 2 264.329 -0.380 20 30 CBEDLP C=C(C)C(=O)OCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220124776 824959566 /nfs/dbraw/zinc/95/95/66/824959566.db2.gz KTQQLWJUAOYVOH-ZWNOBZJWSA-N 2 2 267.329 -0.827 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220359180 825020437 /nfs/dbraw/zinc/02/04/37/825020437.db2.gz DUVWSIYXUIBZRJ-OLZOCXBDSA-N 2 2 281.400 -0.241 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220359180 825020441 /nfs/dbraw/zinc/02/04/41/825020441.db2.gz DUVWSIYXUIBZRJ-OLZOCXBDSA-N 2 2 281.400 -0.241 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220359180 825020444 /nfs/dbraw/zinc/02/04/44/825020444.db2.gz DUVWSIYXUIBZRJ-OLZOCXBDSA-N 2 2 281.400 -0.241 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220359180 825020446 /nfs/dbraw/zinc/02/04/46/825020446.db2.gz DUVWSIYXUIBZRJ-OLZOCXBDSA-N 2 2 281.400 -0.241 20 30 CBEDLP C=CCCCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220484882 825048877 /nfs/dbraw/zinc/04/88/77/825048877.db2.gz YWFAHFOGGZVGNH-GFCCVEGCSA-N 2 2 254.378 -0.181 20 30 CBEDLP CCOC(=O)[C@@H](C#N)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220499373 825050111 /nfs/dbraw/zinc/05/01/11/825050111.db2.gz XBGRWIQYTYSTNZ-VXGBXAGGSA-N 2 2 290.323 -0.170 20 30 CBEDLP C=C[C@@H]1C[C@]1(NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)C(=O)OCC ZINC001220571188 825067202 /nfs/dbraw/zinc/06/72/02/825067202.db2.gz LJIHPJXNEYCPLS-BAESOJJISA-N 2 2 293.367 -0.438 20 30 CBEDLP C=C[C@H]1C[C@]1(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)OCC ZINC001220573505 825068838 /nfs/dbraw/zinc/06/88/38/825068838.db2.gz NPBTUPMOOOEXBB-AVWBDOJWSA-N 2 2 267.329 -0.843 20 30 CBEDLP CC(C)C[C@H](C#N)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220700833 825086297 /nfs/dbraw/zinc/08/62/97/825086297.db2.gz PFQYATROXANUHM-WZRBSPASSA-N 2 2 250.346 -0.008 20 30 CBEDLP N#Cc1cnc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)s1 ZINC001220872287 825118185 /nfs/dbraw/zinc/11/81/85/825118185.db2.gz SCLLUTMQQJNXGP-PRHODGIISA-N 2 2 277.353 -0.418 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888911 825121321 /nfs/dbraw/zinc/12/13/21/825121321.db2.gz YNKGOXWTOONIHT-KGLIPLIRSA-N 2 2 290.367 -0.463 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888911 825121326 /nfs/dbraw/zinc/12/13/26/825121326.db2.gz YNKGOXWTOONIHT-KGLIPLIRSA-N 2 2 290.367 -0.463 20 30 CBEDLP N#CC1(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCOCC1 ZINC001220967089 825130312 /nfs/dbraw/zinc/13/03/12/825130312.db2.gz REUXCEHIQWCJAJ-GWCFXTLKSA-N 2 2 264.329 -0.873 20 30 CBEDLP C=CC[C@@](C)(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)OC ZINC001221381836 825180706 /nfs/dbraw/zinc/18/07/06/825180706.db2.gz KFPIMPUGJSNGCX-HOTUBEGUSA-N 2 2 255.318 -0.843 20 30 CBEDLP C#Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC001251004685 825757324 /nfs/dbraw/zinc/75/73/24/825757324.db2.gz YHGIIMBKBDNOAQ-CQSZACIVSA-N 2 2 261.325 -0.410 20 30 CBEDLP [NH2+]=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(F)cn1 ZINC001251038510 825770065 /nfs/dbraw/zinc/77/00/65/825770065.db2.gz XKFUSZXPOVYWJV-NSHDSACASA-N 2 2 282.319 -0.381 20 30 CBEDLP C=CCOC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252491111 825872837 /nfs/dbraw/zinc/87/28/37/825872837.db2.gz FUNRUZKOIMZGKM-CYBMUJFWSA-N 2 2 296.371 -0.388 20 30 CBEDLP C=CCOC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252491111 825872840 /nfs/dbraw/zinc/87/28/40/825872840.db2.gz FUNRUZKOIMZGKM-CYBMUJFWSA-N 2 2 296.371 -0.388 20 30 CBEDLP C=CCOC[C@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001252497903 825873663 /nfs/dbraw/zinc/87/36/63/825873663.db2.gz BMDXPYLFLCMSGA-GFCCVEGCSA-N 2 2 258.362 -0.404 20 30 CBEDLP C=CCOC[C@@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001252497904 825873860 /nfs/dbraw/zinc/87/38/60/825873860.db2.gz BMDXPYLFLCMSGA-LBPRGKRZSA-N 2 2 258.362 -0.404 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC001263115773 826740413 /nfs/dbraw/zinc/74/04/13/826740413.db2.gz DBQZJCHBIUKOMQ-LBPRGKRZSA-N 2 2 281.356 -0.695 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001265807239 826922034 /nfs/dbraw/zinc/92/20/34/826922034.db2.gz WWAXNDYRPWWXHC-GFCCVEGCSA-N 2 2 291.355 -0.883 20 30 CBEDLP C[NH+]1CCC(C(=O)NCC[NH+]2CCN(CC#N)CC2)CC1 ZINC001266292322 826973026 /nfs/dbraw/zinc/97/30/26/826973026.db2.gz DSHFQVKDXYNTOA-UHFFFAOYSA-N 2 2 293.415 -0.414 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001266353317 826988474 /nfs/dbraw/zinc/98/84/74/826988474.db2.gz UACDCYDQKLVUJJ-ZDUSSCGKSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001266353317 826988484 /nfs/dbraw/zinc/98/84/84/826988484.db2.gz UACDCYDQKLVUJJ-ZDUSSCGKSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266353317 826988487 /nfs/dbraw/zinc/98/84/87/826988487.db2.gz UACDCYDQKLVUJJ-ZDUSSCGKSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266353317 826988496 /nfs/dbraw/zinc/98/84/96/826988496.db2.gz UACDCYDQKLVUJJ-ZDUSSCGKSA-N 2 2 296.415 -0.179 20 30 CBEDLP COCC#CC[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001266981408 827102546 /nfs/dbraw/zinc/10/25/46/827102546.db2.gz JNOZUUHSDFEJKD-LLVKDONJSA-N 2 2 264.329 -0.304 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266996704 827105495 /nfs/dbraw/zinc/10/54/95/827105495.db2.gz SRJYGNNIYRNMAL-NWDGAFQWSA-N 2 2 293.371 -0.332 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001267199208 827125618 /nfs/dbraw/zinc/12/56/18/827125618.db2.gz JKBPPESFXAUUIS-UHFFFAOYSA-N 2 2 294.399 -0.732 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001267199208 827125623 /nfs/dbraw/zinc/12/56/23/827125623.db2.gz JKBPPESFXAUUIS-UHFFFAOYSA-N 2 2 294.399 -0.732 20 30 CBEDLP COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001267712654 827203019 /nfs/dbraw/zinc/20/30/19/827203019.db2.gz UORCGZKBGLNCOY-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001267712654 827203028 /nfs/dbraw/zinc/20/30/28/827203028.db2.gz UORCGZKBGLNCOY-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC(=O)NCC#N ZINC001267821593 827227591 /nfs/dbraw/zinc/22/75/91/827227591.db2.gz PNXXWNTWEFYQKM-JTQLQIEISA-N 2 2 292.343 -0.924 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001269285360 827488404 /nfs/dbraw/zinc/48/84/04/827488404.db2.gz JBTRQCYMPISEGD-CHWSQXEVSA-N 2 2 296.415 -0.181 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001269285360 827488405 /nfs/dbraw/zinc/48/84/05/827488405.db2.gz JBTRQCYMPISEGD-CHWSQXEVSA-N 2 2 296.415 -0.181 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001272151803 827762117 /nfs/dbraw/zinc/76/21/17/827762117.db2.gz DEHOISXETBELDO-CYBMUJFWSA-N 2 2 296.415 -0.534 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001272151803 827762124 /nfs/dbraw/zinc/76/21/24/827762124.db2.gz DEHOISXETBELDO-CYBMUJFWSA-N 2 2 296.415 -0.534 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001272451412 827801086 /nfs/dbraw/zinc/80/10/86/827801086.db2.gz FKQGPJMGPXPVMV-RYUDHWBXSA-N 2 2 276.340 -0.855 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001272519996 827811085 /nfs/dbraw/zinc/81/10/85/827811085.db2.gz FJAWRZDIQNPKLJ-YNEHKIRRSA-N 2 2 290.367 -0.386 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001278821369 884820728 /nfs/dbraw/zinc/82/07/28/884820728.db2.gz FDMWNWZGVFTHJB-LLVKDONJSA-N 2 2 264.329 -0.616 20 30 CBEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278816319 884823178 /nfs/dbraw/zinc/82/31/78/884823178.db2.gz PNNDTYVKOFMNIH-AWEZNQCLSA-N 2 2 276.340 -0.472 20 30 CBEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278816319 884823192 /nfs/dbraw/zinc/82/31/92/884823192.db2.gz PNNDTYVKOFMNIH-AWEZNQCLSA-N 2 2 276.340 -0.472 20 30 CBEDLP COCC#CC[NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001326104405 884908608 /nfs/dbraw/zinc/90/86/08/884908608.db2.gz UMBLVIVZLYIFHH-UHFFFAOYSA-N 2 2 294.355 -0.988 20 30 CBEDLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC001326308911 884980480 /nfs/dbraw/zinc/98/04/80/884980480.db2.gz HFECGROCDKPPHC-GHMZBOCLSA-N 2 2 282.344 -0.629 20 30 CBEDLP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001329099767 885925923 /nfs/dbraw/zinc/92/59/23/885925923.db2.gz NIRSINNPUCXMEZ-NEPJUHHUSA-N 2 2 295.387 -0.536 20 30 CBEDLP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001329099767 885925937 /nfs/dbraw/zinc/92/59/37/885925937.db2.gz NIRSINNPUCXMEZ-NEPJUHHUSA-N 2 2 295.387 -0.536 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001329107025 885933947 /nfs/dbraw/zinc/93/39/47/885933947.db2.gz PMRGAJSQIBJIGN-AXFHLTTASA-N 2 2 259.313 -0.327 20 30 CBEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001329563592 886124547 /nfs/dbraw/zinc/12/45/47/886124547.db2.gz ABZAYZDVYDDKEZ-GHMZBOCLSA-N 2 2 281.360 -0.927 20 30 CBEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001329563592 886124554 /nfs/dbraw/zinc/12/45/54/886124554.db2.gz ABZAYZDVYDDKEZ-GHMZBOCLSA-N 2 2 281.360 -0.927 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001330882071 886614464 /nfs/dbraw/zinc/61/44/64/886614464.db2.gz BPSMWHGZMITBPL-MISXGVKJSA-N 2 2 281.356 -0.166 20 30 CBEDLP C=CCC[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001331823146 886996761 /nfs/dbraw/zinc/99/67/61/886996761.db2.gz CIXTYSGBWRGPFO-NSHDSACASA-N 2 2 266.345 -0.395 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001338491320 889168341 /nfs/dbraw/zinc/16/83/41/889168341.db2.gz HIZXIZYHQSKSOH-CHWSQXEVSA-N 2 2 266.389 -0.650 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001338491320 889168346 /nfs/dbraw/zinc/16/83/46/889168346.db2.gz HIZXIZYHQSKSOH-CHWSQXEVSA-N 2 2 266.389 -0.650 20 30 CBEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001343490169 889923445 /nfs/dbraw/zinc/92/34/45/889923445.db2.gz MLZCSYFLFCLMHN-VXGBXAGGSA-N 2 2 255.362 -0.195 20 30 CBEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001343490169 889923451 /nfs/dbraw/zinc/92/34/51/889923451.db2.gz MLZCSYFLFCLMHN-VXGBXAGGSA-N 2 2 255.362 -0.195 20 30 CBEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001348958168 890736365 /nfs/dbraw/zinc/73/63/65/890736365.db2.gz PGJZLUBYJOZPDT-MRXNPFEDSA-N 3 2 296.459 -0.165 20 30 CBEDLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC001349822359 890901450 /nfs/dbraw/zinc/90/14/50/890901450.db2.gz HOMCZQZEOYNDTF-NWDGAFQWSA-N 2 2 296.371 -0.239 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001351110787 891107285 /nfs/dbraw/zinc/10/72/85/891107285.db2.gz AMKBSNUKWRSXSL-GJZGRUSLSA-N 2 2 290.411 -0.458 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001351110787 891107296 /nfs/dbraw/zinc/10/72/96/891107296.db2.gz AMKBSNUKWRSXSL-GJZGRUSLSA-N 2 2 290.411 -0.458 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001505767737 921477819 /nfs/dbraw/zinc/47/78/19/921477819.db2.gz GBMVSCJXECLVAI-NEPJUHHUSA-N 2 2 291.355 -0.885 20 30 CBEDLP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001506845850 921625736 /nfs/dbraw/zinc/62/57/36/921625736.db2.gz WIXXZITUAHRGQI-DGCLKSJQSA-N 2 2 276.340 -0.209 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001465398308 915050575 /nfs/dbraw/zinc/05/05/75/915050575.db2.gz SCDZNYLOIZMUQF-UHFFFAOYSA-N 2 2 292.387 -0.460 20 30 CBEDLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NCC#N ZINC001480799135 916545349 /nfs/dbraw/zinc/54/53/49/916545349.db2.gz QMEQLNJXHSFLKX-SNVBAGLBSA-N 2 2 292.343 -0.924 20 30 CBEDLP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001481467070 916845593 /nfs/dbraw/zinc/84/55/93/916845593.db2.gz XMIOPXBLSNWVQU-OAHLLOKOSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001481467070 916845605 /nfs/dbraw/zinc/84/56/05/916845605.db2.gz XMIOPXBLSNWVQU-OAHLLOKOSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001481709383 916958592 /nfs/dbraw/zinc/95/85/92/916958592.db2.gz XLLHXSOIRVGMSP-UONOGXRCSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001481709383 916958623 /nfs/dbraw/zinc/95/86/23/916958623.db2.gz XLLHXSOIRVGMSP-UONOGXRCSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001482752897 917251075 /nfs/dbraw/zinc/25/10/75/917251075.db2.gz OBRVQHNQJBIZSC-NSHDSACASA-N 2 2 264.329 -0.947 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001483687230 917636491 /nfs/dbraw/zinc/63/64/91/917636491.db2.gz DKABBSNUHMKNEU-CYBMUJFWSA-N 2 2 265.357 -0.468 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001483687230 917636500 /nfs/dbraw/zinc/63/65/00/917636500.db2.gz DKABBSNUHMKNEU-CYBMUJFWSA-N 2 2 265.357 -0.468 20 30 CBEDLP C#CC[NH2+]CCN(CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001484497659 917878597 /nfs/dbraw/zinc/87/85/97/917878597.db2.gz ZSWYNLYMFGJQLV-GFCCVEGCSA-N 2 2 278.356 -0.368 20 30 CBEDLP C#CC[NH2+]CCN(CCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001484497659 917878609 /nfs/dbraw/zinc/87/86/09/917878609.db2.gz ZSWYNLYMFGJQLV-GFCCVEGCSA-N 2 2 278.356 -0.368 20 30 CBEDLP C#CC[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484849979 917946226 /nfs/dbraw/zinc/94/62/26/917946226.db2.gz BWXHVVVTWQDPLO-CQSZACIVSA-N 2 2 276.340 -0.472 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485234710 918035263 /nfs/dbraw/zinc/03/52/63/918035263.db2.gz NJEIMPUTQCCQQK-VXGBXAGGSA-N 2 2 293.371 -0.332 20 30 CBEDLP C#CC[N@H+](C)CCOCCNC(=O)Cn1cc[nH+]c1 ZINC001485776261 918185482 /nfs/dbraw/zinc/18/54/82/918185482.db2.gz QFPRZWPFHAXVEW-UHFFFAOYSA-N 2 2 264.329 -0.419 20 30 CBEDLP C#CC[N@@H+](C)CCOCCNC(=O)Cn1cc[nH+]c1 ZINC001485776261 918185495 /nfs/dbraw/zinc/18/54/95/918185495.db2.gz QFPRZWPFHAXVEW-UHFFFAOYSA-N 2 2 264.329 -0.419 20 30 CBEDLP C=C(C)C[NH2+][C@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001486020223 918310631 /nfs/dbraw/zinc/31/06/31/918310631.db2.gz UGSMLSVPCKEDSH-LBPRGKRZSA-N 2 2 280.372 -0.005 20 30 CBEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001486020221 918312415 /nfs/dbraw/zinc/31/24/15/918312415.db2.gz UGSMLSVPCKEDSH-GFCCVEGCSA-N 2 2 280.372 -0.005 20 30 CBEDLP CC[C@H](C(=O)NCC[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001492304145 919390237 /nfs/dbraw/zinc/39/02/37/919390237.db2.gz RTEOHGGWZNRJJZ-LLVKDONJSA-N 2 2 283.376 -0.986 20 30 CBEDLP CC[C@H](C(=O)NCC[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001492304145 919390253 /nfs/dbraw/zinc/39/02/53/919390253.db2.gz RTEOHGGWZNRJJZ-LLVKDONJSA-N 2 2 283.376 -0.986 20 30 CBEDLP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001498148159 920500097 /nfs/dbraw/zinc/50/00/97/920500097.db2.gz OJGJVICXPCUQOC-JTQLQIEISA-N 2 2 279.344 -0.651 20 30 CBEDLP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001498952747 920668854 /nfs/dbraw/zinc/66/88/54/920668854.db2.gz OSXXATABOCAFGD-KBPBESRZSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001498952747 920668868 /nfs/dbraw/zinc/66/88/68/920668868.db2.gz OSXXATABOCAFGD-KBPBESRZSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001498952747 920668881 /nfs/dbraw/zinc/66/88/81/920668881.db2.gz OSXXATABOCAFGD-KBPBESRZSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001498952747 920668890 /nfs/dbraw/zinc/66/88/90/920668890.db2.gz OSXXATABOCAFGD-KBPBESRZSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCC[NH+]1CC(O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001500946445 920924193 /nfs/dbraw/zinc/92/41/93/920924193.db2.gz KUNUXVNSUHCRKC-UHFFFAOYSA-N 2 2 297.399 -0.552 20 30 CBEDLP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001501469904 921022769 /nfs/dbraw/zinc/02/27/69/921022769.db2.gz ZGCKSZQUPBUNQN-CYBMUJFWSA-N 2 2 290.367 -0.511 20 30 CBEDLP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001507715245 921895765 /nfs/dbraw/zinc/89/57/65/921895765.db2.gz NRUANVLRUMBVGX-LBPRGKRZSA-N 2 2 278.356 -0.273 20 30 CBEDLP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001507715245 921895772 /nfs/dbraw/zinc/89/57/72/921895772.db2.gz NRUANVLRUMBVGX-LBPRGKRZSA-N 2 2 278.356 -0.273 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001521511846 922365770 /nfs/dbraw/zinc/36/57/70/922365770.db2.gz FGCDBNVCNOWTEB-UBHAPETDSA-N 2 2 260.297 -0.306 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC001521533425 922366943 /nfs/dbraw/zinc/36/69/43/922366943.db2.gz HJKGUMYPDRKTIX-NSHDSACASA-N 2 2 261.329 -0.884 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@H]2O)CC1 ZINC000305337134 352748348 /nfs/dbraw/zinc/74/83/48/352748348.db2.gz ODJSUACIRJMPRQ-LSDHHAIUSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCC[C@H]2O)CC1 ZINC000305337134 352748351 /nfs/dbraw/zinc/74/83/51/352748351.db2.gz ODJSUACIRJMPRQ-LSDHHAIUSA-N 2 2 293.411 -0.143 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342126748 353219018 /nfs/dbraw/zinc/21/90/18/353219018.db2.gz JOQKKJCFJFRHMX-VIFPVBQESA-N 2 2 254.334 -0.142 20 30 CBEDLP C=CC[N@@H+](CCOCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000357078817 353601849 /nfs/dbraw/zinc/60/18/49/353601849.db2.gz LZYYKUYNVFTIDM-LLVKDONJSA-N 2 2 262.375 -0.363 20 30 CBEDLP C=CC[N@H+](CCOCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000357078817 353601851 /nfs/dbraw/zinc/60/18/51/353601851.db2.gz LZYYKUYNVFTIDM-LLVKDONJSA-N 2 2 262.375 -0.363 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCC(N2CC[N@@H+](C)CC2=O)CC1 ZINC000378598541 353781105 /nfs/dbraw/zinc/78/11/05/353781105.db2.gz MHWJKKQWWPHZCZ-UHFFFAOYSA-N 2 2 294.399 -0.473 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCC(N2CC[N@H+](C)CC2=O)CC1 ZINC000378598541 353781108 /nfs/dbraw/zinc/78/11/08/353781108.db2.gz MHWJKKQWWPHZCZ-UHFFFAOYSA-N 2 2 294.399 -0.473 20 30 CBEDLP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424138822 354211441 /nfs/dbraw/zinc/21/14/41/354211441.db2.gz UYEBKASLEFDTPN-NEPJUHHUSA-N 2 2 268.361 -0.156 20 30 CBEDLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424145718 354211808 /nfs/dbraw/zinc/21/18/08/354211808.db2.gz ZESLEEONFFDRFA-GFCCVEGCSA-N 2 2 268.361 -0.202 20 30 CBEDLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424143821 354212188 /nfs/dbraw/zinc/21/21/88/354212188.db2.gz GIFPVQRWUUYEER-VXGBXAGGSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424143821 354212192 /nfs/dbraw/zinc/21/21/92/354212192.db2.gz GIFPVQRWUUYEER-VXGBXAGGSA-N 2 2 268.361 -0.156 20 30 CBEDLP CC[N@H+](CCO)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600741291 355563582 /nfs/dbraw/zinc/56/35/82/355563582.db2.gz DTBNEPRAMLVNLH-LBPRGKRZSA-N 2 2 255.362 -0.055 20 30 CBEDLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600741291 355563586 /nfs/dbraw/zinc/56/35/86/355563586.db2.gz DTBNEPRAMLVNLH-LBPRGKRZSA-N 2 2 255.362 -0.055 20 30 CBEDLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600736480 355564368 /nfs/dbraw/zinc/56/43/68/355564368.db2.gz AHYZCLQEXPOLAJ-ZIAGYGMSSA-N 2 2 293.367 -0.190 20 30 CBEDLP C[N@@H+]1CCN(C(=O)Cc2ccc(C#N)nc2)[C@@H](C[NH3+])C1 ZINC000602432828 355650176 /nfs/dbraw/zinc/65/01/76/355650176.db2.gz JAZQBUGJSGFKBJ-ZDUSSCGKSA-N 2 2 273.340 -0.403 20 30 CBEDLP C[N@H+]1CCN(C(=O)Cc2ccc(C#N)nc2)[C@@H](C[NH3+])C1 ZINC000602432828 355650181 /nfs/dbraw/zinc/65/01/81/355650181.db2.gz JAZQBUGJSGFKBJ-ZDUSSCGKSA-N 2 2 273.340 -0.403 20 30 CBEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603833607 355720250 /nfs/dbraw/zinc/72/02/50/355720250.db2.gz XRGPQYRHUAVGOZ-IJLUTSLNSA-N 2 2 250.346 -0.102 20 30 CBEDLP CC#CC[NH2+]Cc1cn(C[C@@H](O)C[N@@H+](C)CC)nn1 ZINC000641222611 357681917 /nfs/dbraw/zinc/68/19/17/357681917.db2.gz MOUVGLYHEVZBCV-ZDUSSCGKSA-N 2 2 265.361 -0.296 20 30 CBEDLP CC#CC[NH2+]Cc1cn(C[C@@H](O)C[N@H+](C)CC)nn1 ZINC000641222611 357681918 /nfs/dbraw/zinc/68/19/18/357681918.db2.gz MOUVGLYHEVZBCV-ZDUSSCGKSA-N 2 2 265.361 -0.296 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071146960 220195796 /nfs/dbraw/zinc/19/57/96/220195796.db2.gz ZDKFMJSHGQPJCP-SNVBAGLBSA-N 2 2 254.334 -0.461 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071146960 220195799 /nfs/dbraw/zinc/19/57/99/220195799.db2.gz ZDKFMJSHGQPJCP-SNVBAGLBSA-N 2 2 254.334 -0.461 20 30 CBEDLP CC(=O)N1CC[NH+](CC[NH+]=C(N(C)C)N(C)C)CC1 ZINC000261965884 220245454 /nfs/dbraw/zinc/24/54/54/220245454.db2.gz BFMWBNWNEHGIDP-UHFFFAOYSA-N 2 2 269.393 -0.370 20 30 CBEDLP C=C(C)CNC(=[NH2+])NC[C@@H](O)C[NH+]1CCOCC1 ZINC000264122989 220263456 /nfs/dbraw/zinc/26/34/56/220263456.db2.gz RLDNWPQQMNKZDP-LLVKDONJSA-N 2 2 256.350 -0.840 20 30 CBEDLP Cc1[nH+]ccn1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264082243 220264165 /nfs/dbraw/zinc/26/41/65/220264165.db2.gz HREJSZZLJOLFAF-UHFFFAOYSA-N 3 2 294.403 -0.182 20 30 CBEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000328650859 220326742 /nfs/dbraw/zinc/32/67/42/220326742.db2.gz BERKESOXIPYBRT-GFCCVEGCSA-N 2 2 269.393 -0.559 20 30 CBEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000328650859 220326745 /nfs/dbraw/zinc/32/67/45/220326745.db2.gz BERKESOXIPYBRT-GFCCVEGCSA-N 2 2 269.393 -0.559 20 30 CBEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC[NH+]2CCC2)C1 ZINC000328650859 220326747 /nfs/dbraw/zinc/32/67/47/220326747.db2.gz BERKESOXIPYBRT-GFCCVEGCSA-N 2 2 269.393 -0.559 20 30 CBEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC[NH+]2CCC2)C1 ZINC000328650859 220326749 /nfs/dbraw/zinc/32/67/49/220326749.db2.gz BERKESOXIPYBRT-GFCCVEGCSA-N 2 2 269.393 -0.559 20 30 CBEDLP C=CCCn1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)nn1 ZINC000657334125 420352739 /nfs/dbraw/zinc/35/27/39/420352739.db2.gz MXNYIBCQHOAFSD-UHFFFAOYSA-N 2 2 292.387 -0.282 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000490951107 261263605 /nfs/dbraw/zinc/26/36/05/261263605.db2.gz WBJRGSMYJIWQPV-SOUVJXGZSA-N 2 2 291.395 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 ZINC000490951107 261263607 /nfs/dbraw/zinc/26/36/07/261263607.db2.gz WBJRGSMYJIWQPV-SOUVJXGZSA-N 2 2 291.395 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CO)CC2)CC1 ZINC000491072934 261318856 /nfs/dbraw/zinc/31/88/56/261318856.db2.gz WEFKSGZIHZTNOI-HNNXBMFYSA-N 2 2 293.411 -0.142 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC000491072934 261318857 /nfs/dbraw/zinc/31/88/57/261318857.db2.gz WEFKSGZIHZTNOI-HNNXBMFYSA-N 2 2 293.411 -0.142 20 30 CBEDLP COC[C@@H](C)NC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000267392713 274041705 /nfs/dbraw/zinc/04/17/05/274041705.db2.gz DHEAIRRCCGXPSC-SECBINFHSA-N 2 2 268.365 -0.075 20 30 CBEDLP C[NH+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC000329536980 290106462 /nfs/dbraw/zinc/10/64/62/290106462.db2.gz BIJAYGSMGJUPLT-FRRDWIJNSA-N 2 2 298.387 -0.754 20 30 CBEDLP C[NH+]1CCO[C@@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC000329536980 290106463 /nfs/dbraw/zinc/10/64/63/290106463.db2.gz BIJAYGSMGJUPLT-FRRDWIJNSA-N 2 2 298.387 -0.754 20 30 CBEDLP C[NH+]1CCO[C@H](CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000329536980 290106464 /nfs/dbraw/zinc/10/64/64/290106464.db2.gz BIJAYGSMGJUPLT-FRRDWIJNSA-N 2 2 298.387 -0.754 20 30 CBEDLP C[NH+]1CCO[C@H](CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000329536980 290106466 /nfs/dbraw/zinc/10/64/66/290106466.db2.gz BIJAYGSMGJUPLT-FRRDWIJNSA-N 2 2 298.387 -0.754 20 30 CBEDLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000564978184 327308961 /nfs/dbraw/zinc/30/89/61/327308961.db2.gz KOIQPJLNJSBATN-KGLIPLIRSA-N 2 2 293.367 -0.190 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000430647986 330569891 /nfs/dbraw/zinc/56/98/91/330569891.db2.gz YOSZRGTUGPVMNO-SECBINFHSA-N 2 2 254.334 -0.190 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CCOC2)CC1 ZINC000490779795 332114754 /nfs/dbraw/zinc/11/47/54/332114754.db2.gz ZKDKOUIJKWVSTI-AWEZNQCLSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCOC2)CC1 ZINC000490779795 332114756 /nfs/dbraw/zinc/11/47/56/332114756.db2.gz ZKDKOUIJKWVSTI-AWEZNQCLSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2CCOC2)CC1 ZINC000490779796 332114970 /nfs/dbraw/zinc/11/49/70/332114970.db2.gz ZKDKOUIJKWVSTI-CQSZACIVSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2CCOC2)CC1 ZINC000490779796 332114971 /nfs/dbraw/zinc/11/49/71/332114971.db2.gz ZKDKOUIJKWVSTI-CQSZACIVSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H](C)C(=O)NC)CC1 ZINC000490779873 332115316 /nfs/dbraw/zinc/11/53/16/332115316.db2.gz BTASQFCPKGMJDM-CYBMUJFWSA-N 2 2 294.399 -0.922 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H](C)C(=O)NC)CC1 ZINC000490779873 332115317 /nfs/dbraw/zinc/11/53/17/332115317.db2.gz BTASQFCPKGMJDM-CYBMUJFWSA-N 2 2 294.399 -0.922 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CC(O)C2)CC1 ZINC000490973111 332134736 /nfs/dbraw/zinc/13/47/36/332134736.db2.gz JFIOLMHQIVANJW-UHFFFAOYSA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CC(O)C2)CC1 ZINC000490973111 332134737 /nfs/dbraw/zinc/13/47/37/332134737.db2.gz JFIOLMHQIVANJW-UHFFFAOYSA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC000491037496 332141040 /nfs/dbraw/zinc/14/10/40/332141040.db2.gz DTPFMOHLQIKKRN-KGLIPLIRSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC000491037496 332141042 /nfs/dbraw/zinc/14/10/42/332141042.db2.gz DTPFMOHLQIKKRN-KGLIPLIRSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000491514960 332226950 /nfs/dbraw/zinc/22/69/50/332226950.db2.gz KWAUANDERVAUMX-ZDUSSCGKSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000491514960 332226952 /nfs/dbraw/zinc/22/69/52/332226952.db2.gz KWAUANDERVAUMX-ZDUSSCGKSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@](C)(C(N)=O)C(C)C)CC1 ZINC000491554354 332236702 /nfs/dbraw/zinc/23/67/02/332236702.db2.gz IJOVOABYCWCAMS-OAHLLOKOSA-N 2 2 294.399 -0.747 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCO[C@H]2C2CC2)CC1 ZINC000491554825 332236916 /nfs/dbraw/zinc/23/69/16/332236916.db2.gz MJFLAEWPTWEVKS-HOCLYGCPSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000491554826 332237048 /nfs/dbraw/zinc/23/70/48/332237048.db2.gz MJFLAEWPTWEVKS-ZBFHGGJFSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2OC)CC1 ZINC000491636462 332257499 /nfs/dbraw/zinc/25/74/99/332257499.db2.gz VFIJJSSZSFQFLG-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)C(C)(C)O)CC1 ZINC000491675107 332280752 /nfs/dbraw/zinc/28/07/52/332280752.db2.gz LNLWRGPKILXZMW-ZDUSSCGKSA-N 2 2 281.400 -0.145 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)C(C)(C)O)CC1 ZINC000491675107 332280754 /nfs/dbraw/zinc/28/07/54/332280754.db2.gz LNLWRGPKILXZMW-ZDUSSCGKSA-N 2 2 281.400 -0.145 20 30 CBEDLP C#CCN1C(=O)C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000491680968 332284405 /nfs/dbraw/zinc/28/44/05/332284405.db2.gz KVAZHTCSRWGROZ-VXGBXAGGSA-N 2 2 263.341 -0.322 20 30 CBEDLP C#CCN1C(=O)C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000491680968 332284406 /nfs/dbraw/zinc/28/44/06/332284406.db2.gz KVAZHTCSRWGROZ-VXGBXAGGSA-N 2 2 263.341 -0.322 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000491704472 332297883 /nfs/dbraw/zinc/29/78/83/332297883.db2.gz BMTFGVBREJJCNN-ZIAGYGMSSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000491754923 332329591 /nfs/dbraw/zinc/32/95/91/332329591.db2.gz WMYGWJIPPMNKLU-CYBMUJFWSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000491757815 332330243 /nfs/dbraw/zinc/33/02/43/332330243.db2.gz FTNRWIZIVFHXRO-LLVKDONJSA-N 2 2 261.329 -0.330 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000491810291 332363132 /nfs/dbraw/zinc/36/31/32/332363132.db2.gz ZAKXLDQMHONOLJ-CHWSQXEVSA-N 2 2 279.384 -0.487 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000730098070 582149339 /nfs/dbraw/zinc/14/93/39/582149339.db2.gz TYAGTZLQLBVQGE-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000730098070 582149340 /nfs/dbraw/zinc/14/93/40/582149340.db2.gz TYAGTZLQLBVQGE-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000730103902 582149375 /nfs/dbraw/zinc/14/93/75/582149375.db2.gz JVKDIAYHKYJNTO-AWEZNQCLSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000730103902 582149376 /nfs/dbraw/zinc/14/93/76/582149376.db2.gz JVKDIAYHKYJNTO-AWEZNQCLSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000730841908 582151443 /nfs/dbraw/zinc/15/14/43/582151443.db2.gz QXDGIZPDBZMLAE-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000730841908 582151444 /nfs/dbraw/zinc/15/14/44/582151444.db2.gz QXDGIZPDBZMLAE-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000730841908 582151445 /nfs/dbraw/zinc/15/14/45/582151445.db2.gz QXDGIZPDBZMLAE-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000730841908 582151447 /nfs/dbraw/zinc/15/14/47/582151447.db2.gz QXDGIZPDBZMLAE-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000732054807 582156027 /nfs/dbraw/zinc/15/60/27/582156027.db2.gz IDTAQJAVJUSPLP-AWEZNQCLSA-N 2 2 278.400 -0.552 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000732054807 582156028 /nfs/dbraw/zinc/15/60/28/582156028.db2.gz IDTAQJAVJUSPLP-AWEZNQCLSA-N 2 2 278.400 -0.552 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000732278216 582157955 /nfs/dbraw/zinc/15/79/55/582157955.db2.gz XPEOZTPHLHIAGD-UHFFFAOYSA-N 2 2 278.400 -0.599 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000732308021 582158464 /nfs/dbraw/zinc/15/84/64/582158464.db2.gz QVMLTQWBVVYYBB-CABCVRRESA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000732308021 582158465 /nfs/dbraw/zinc/15/84/65/582158465.db2.gz QVMLTQWBVVYYBB-CABCVRRESA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC)CCO1 ZINC000734819233 582174808 /nfs/dbraw/zinc/17/48/08/582174808.db2.gz CDEWLMCWPRQZIF-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC)CCO1 ZINC000734819233 582174809 /nfs/dbraw/zinc/17/48/09/582174809.db2.gz CDEWLMCWPRQZIF-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC)CCO1 ZINC000734819233 582174810 /nfs/dbraw/zinc/17/48/10/582174810.db2.gz CDEWLMCWPRQZIF-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC)CCO1 ZINC000734819233 582174811 /nfs/dbraw/zinc/17/48/11/582174811.db2.gz CDEWLMCWPRQZIF-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)(C)CO)CC1 ZINC000748818388 582288743 /nfs/dbraw/zinc/28/87/43/582288743.db2.gz UWASHEMRXUUYEX-UHFFFAOYSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)(C)CO)CC1 ZINC000748818388 582288744 /nfs/dbraw/zinc/28/87/44/582288744.db2.gz UWASHEMRXUUYEX-UHFFFAOYSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C)(O)CC2)CC1 ZINC000759767869 582310730 /nfs/dbraw/zinc/31/07/30/582310730.db2.gz OUWAWIAUPISDJO-UHFFFAOYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000761075542 582314276 /nfs/dbraw/zinc/31/42/76/582314276.db2.gz GABLRIZFPCNDQE-AWEZNQCLSA-N 2 2 278.400 -0.600 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000761075542 582314277 /nfs/dbraw/zinc/31/42/77/582314277.db2.gz GABLRIZFPCNDQE-AWEZNQCLSA-N 2 2 278.400 -0.600 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000764287694 582322968 /nfs/dbraw/zinc/32/29/68/582322968.db2.gz KZJHPNONXYIQLP-LBPRGKRZSA-N 2 2 255.362 -0.059 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000764612849 582324007 /nfs/dbraw/zinc/32/40/07/582324007.db2.gz NVPHVEDIOPKTMC-CYBMUJFWSA-N 2 2 285.388 -0.744 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000782632299 582370150 /nfs/dbraw/zinc/37/01/50/582370150.db2.gz JREVBRMKDDJJIK-DZGCQCFKSA-N 2 2 277.368 -0.922 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000782632299 582370151 /nfs/dbraw/zinc/37/01/51/582370151.db2.gz JREVBRMKDDJJIK-DZGCQCFKSA-N 2 2 277.368 -0.922 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000838112269 583148746 /nfs/dbraw/zinc/14/87/46/583148746.db2.gz INWDJJSCEFLKES-CQSZACIVSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000838112269 583148749 /nfs/dbraw/zinc/14/87/49/583148749.db2.gz INWDJJSCEFLKES-CQSZACIVSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000838112269 583148752 /nfs/dbraw/zinc/14/87/52/583148752.db2.gz INWDJJSCEFLKES-CQSZACIVSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000838112269 583148756 /nfs/dbraw/zinc/14/87/56/583148756.db2.gz INWDJJSCEFLKES-CQSZACIVSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)CCO)CC1 ZINC000844445813 583270672 /nfs/dbraw/zinc/27/06/72/583270672.db2.gz DRRCALRSJSTOKX-ZDUSSCGKSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)CCO)CC1 ZINC000844445813 583270676 /nfs/dbraw/zinc/27/06/76/583270676.db2.gz DRRCALRSJSTOKX-ZDUSSCGKSA-N 2 2 267.373 -0.534 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000848419648 583445743 /nfs/dbraw/zinc/44/57/43/583445743.db2.gz ZXXOLACFVKNNRN-AXFHLTTASA-N 2 2 259.313 -0.327 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000848419651 583445903 /nfs/dbraw/zinc/44/59/03/583445903.db2.gz ZXXOLACFVKNNRN-MXWKQRLJSA-N 2 2 259.313 -0.327 20 30 CBEDLP C#CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000851813057 583527605 /nfs/dbraw/zinc/52/76/05/583527605.db2.gz OWCHKYBUPGLRRM-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000851813057 583527607 /nfs/dbraw/zinc/52/76/07/583527607.db2.gz OWCHKYBUPGLRRM-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H](C)O)CC1 ZINC000852558858 583548495 /nfs/dbraw/zinc/54/84/95/583548495.db2.gz DPSZJDSXMPMEKY-UONOGXRCSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H](C)O)CC1 ZINC000852558858 583548496 /nfs/dbraw/zinc/54/84/96/583548496.db2.gz DPSZJDSXMPMEKY-UONOGXRCSA-N 2 2 279.384 -0.391 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858330207 583691602 /nfs/dbraw/zinc/69/16/02/583691602.db2.gz MBKWHNKDHSQXDB-UHFFFAOYSA-N 2 2 290.367 -0.002 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)C[C@H]2C)CC1 ZINC000860085461 583738283 /nfs/dbraw/zinc/73/82/83/583738283.db2.gz IPDFGIATTRBXCV-HUUCEWRRSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)C[C@H]2C)CC1 ZINC000860085461 583738285 /nfs/dbraw/zinc/73/82/85/583738285.db2.gz IPDFGIATTRBXCV-HUUCEWRRSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000862973534 583829660 /nfs/dbraw/zinc/82/96/60/583829660.db2.gz PNKFURLSVCHBNW-AWEZNQCLSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000862973534 583829661 /nfs/dbraw/zinc/82/96/61/583829661.db2.gz PNKFURLSVCHBNW-AWEZNQCLSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CCNC(=O)CC[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000863571395 583847320 /nfs/dbraw/zinc/84/73/20/583847320.db2.gz XKJQRLNQOAZVOA-LBPRGKRZSA-N 2 2 280.372 -0.945 20 30 CBEDLP C#CCNC(=O)CC[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000863571395 583847321 /nfs/dbraw/zinc/84/73/21/583847321.db2.gz XKJQRLNQOAZVOA-LBPRGKRZSA-N 2 2 280.372 -0.945 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154442 584048555 /nfs/dbraw/zinc/04/85/55/584048555.db2.gz ZYEDKMJYQITIMG-UHIISALHSA-N 2 2 280.372 -0.072 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154442 584048556 /nfs/dbraw/zinc/04/85/56/584048556.db2.gz ZYEDKMJYQITIMG-UHIISALHSA-N 2 2 280.372 -0.072 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591902 584242326 /nfs/dbraw/zinc/24/23/26/584242326.db2.gz UWSZRGZERFEWHX-AWEZNQCLSA-N 2 2 292.427 -0.164 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000884004764 584355088 /nfs/dbraw/zinc/35/50/88/584355088.db2.gz KSVZQLBZZPUNFH-ZJUUUORDSA-N 2 2 255.318 -0.617 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000884026698 584356434 /nfs/dbraw/zinc/35/64/34/584356434.db2.gz JOLLGYRVIWRNAS-QWRGUYRKSA-N 2 2 269.345 -0.451 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000884028328 584356463 /nfs/dbraw/zinc/35/64/63/584356463.db2.gz DETYRWVUWRHVOI-ZJUUUORDSA-N 2 2 255.318 -0.747 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000884040068 584357039 /nfs/dbraw/zinc/35/70/39/584357039.db2.gz IWNSWFSXBJAZLG-AWEZNQCLSA-N 2 2 294.399 -0.285 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000884040068 584357041 /nfs/dbraw/zinc/35/70/41/584357041.db2.gz IWNSWFSXBJAZLG-AWEZNQCLSA-N 2 2 294.399 -0.285 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCn1cc[nH+]c1 ZINC000884179439 584364371 /nfs/dbraw/zinc/36/43/71/584364371.db2.gz OIHAQIKDUKYASV-JTQLQIEISA-N 2 2 266.301 -0.554 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000884196015 584365240 /nfs/dbraw/zinc/36/52/40/584365240.db2.gz FQMXHJQEJPSGCV-RYUDHWBXSA-N 2 2 283.372 -0.111 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000884204201 584366557 /nfs/dbraw/zinc/36/65/57/584366557.db2.gz PVNADODKUIJWPT-RYUDHWBXSA-N 2 2 283.372 -0.109 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000884204201 584366559 /nfs/dbraw/zinc/36/65/59/584366559.db2.gz PVNADODKUIJWPT-RYUDHWBXSA-N 2 2 283.372 -0.109 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000884213547 584367688 /nfs/dbraw/zinc/36/76/88/584367688.db2.gz FGHAWYSYFYAFOT-RYUDHWBXSA-N 2 2 299.371 -0.730 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000884213547 584367690 /nfs/dbraw/zinc/36/76/90/584367690.db2.gz FGHAWYSYFYAFOT-RYUDHWBXSA-N 2 2 299.371 -0.730 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000884254838 584370432 /nfs/dbraw/zinc/37/04/32/584370432.db2.gz SUWYHGDNRVFCGF-DCAQKATOSA-N 2 2 269.345 -0.453 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000884265342 584371076 /nfs/dbraw/zinc/37/10/76/584371076.db2.gz FVVXWSQCMISNBK-MNOVXSKESA-N 2 2 269.345 -0.309 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000884270870 584371371 /nfs/dbraw/zinc/37/13/71/584371371.db2.gz TUGWUPNOKLXIKV-DCAQKATOSA-N 2 2 269.345 -0.453 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000884289582 584372466 /nfs/dbraw/zinc/37/24/66/584372466.db2.gz DSYURQNYAJFSLX-DTWKUNHWSA-N 2 2 291.298 -0.502 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000884293934 584372477 /nfs/dbraw/zinc/37/24/77/584372477.db2.gz OTESYTSYUDQVNK-GRYCIOLGSA-N 2 2 281.356 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC1CC[NH2+]CC1 ZINC000884389452 584378353 /nfs/dbraw/zinc/37/83/53/584378353.db2.gz YEIRQSFHELETEB-LBPRGKRZSA-N 2 2 283.372 -0.061 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000884434329 584381294 /nfs/dbraw/zinc/38/12/94/584381294.db2.gz IVVMQOJSYJCWAF-GARJFASQSA-N 2 2 269.345 -0.310 20 30 CBEDLP C#CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000886581026 584443816 /nfs/dbraw/zinc/44/38/16/584443816.db2.gz HBIXHUDEJMYLOQ-AWEZNQCLSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000886581026 584443818 /nfs/dbraw/zinc/44/38/18/584443818.db2.gz HBIXHUDEJMYLOQ-AWEZNQCLSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C(N)=O)[C@@H](C)CC)CC1 ZINC000887059341 584459569 /nfs/dbraw/zinc/45/95/69/584459569.db2.gz PQJIYDXDOMKRFQ-JSGCOSHPSA-N 2 2 294.399 -0.747 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891615967 584588120 /nfs/dbraw/zinc/58/81/20/584588120.db2.gz FDEBURVXCAKVOU-UHFFFAOYSA-N 2 2 290.367 -0.002 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000895883700 584689044 /nfs/dbraw/zinc/68/90/44/584689044.db2.gz FLMKBVDKMZIYHZ-HNNXBMFYSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000895898457 584689426 /nfs/dbraw/zinc/68/94/26/584689426.db2.gz SSLCEJYCDSQRNL-AWEZNQCLSA-N 2 2 277.368 -0.516 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903465227 584890993 /nfs/dbraw/zinc/89/09/93/584890993.db2.gz FSKQCVCKJWRKAN-JTQLQIEISA-N 2 2 266.345 -0.128 20 30 CBEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000941571085 613115788 /nfs/dbraw/zinc/11/57/88/613115788.db2.gz LCAGSJZCVAEPDJ-HNNXBMFYSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972991918 613281775 /nfs/dbraw/zinc/28/17/75/613281775.db2.gz NTIDXEYICITHCU-QWHCGFSZSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972991918 613281776 /nfs/dbraw/zinc/28/17/76/613281776.db2.gz NTIDXEYICITHCU-QWHCGFSZSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991918 613281777 /nfs/dbraw/zinc/28/17/77/613281777.db2.gz NTIDXEYICITHCU-QWHCGFSZSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991918 613281778 /nfs/dbraw/zinc/28/17/78/613281778.db2.gz NTIDXEYICITHCU-QWHCGFSZSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972991917 613299303 /nfs/dbraw/zinc/29/93/03/613299303.db2.gz NTIDXEYICITHCU-OLZOCXBDSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972991917 613299304 /nfs/dbraw/zinc/29/93/04/613299304.db2.gz NTIDXEYICITHCU-OLZOCXBDSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991917 613299305 /nfs/dbraw/zinc/29/93/05/613299305.db2.gz NTIDXEYICITHCU-OLZOCXBDSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991917 613299306 /nfs/dbraw/zinc/29/93/06/613299306.db2.gz NTIDXEYICITHCU-OLZOCXBDSA-N 2 2 279.384 -0.223 20 30 CBEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CC1 ZINC000303879137 656139849 /nfs/dbraw/zinc/13/98/49/656139849.db2.gz JOGGBPRMXHCJIW-AWEZNQCLSA-N 3 2 297.447 -0.047 20 30 CBEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+](C)CCOC ZINC000303979842 656140102 /nfs/dbraw/zinc/14/01/02/656140102.db2.gz NPAZDRWKORFBOB-CYBMUJFWSA-N 3 2 285.436 -0.047 20 30 CBEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+](C)CCOC ZINC000303979842 656140106 /nfs/dbraw/zinc/14/01/06/656140106.db2.gz NPAZDRWKORFBOB-CYBMUJFWSA-N 3 2 285.436 -0.047 20 30 CBEDLP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC[N@H+](C)CCOC ZINC000303979842 656140109 /nfs/dbraw/zinc/14/01/09/656140109.db2.gz NPAZDRWKORFBOB-CYBMUJFWSA-N 3 2 285.436 -0.047 20 30 CBEDLP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC[N@@H+](C)CCOC ZINC000303979842 656140112 /nfs/dbraw/zinc/14/01/12/656140112.db2.gz NPAZDRWKORFBOB-CYBMUJFWSA-N 3 2 285.436 -0.047 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCN1C ZINC000896561302 656289505 /nfs/dbraw/zinc/28/95/05/656289505.db2.gz YIADDHWLEXCFDO-ILXRZTDVSA-N 2 2 292.427 -0.166 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCN1C ZINC000896561302 656289511 /nfs/dbraw/zinc/28/95/11/656289511.db2.gz YIADDHWLEXCFDO-ILXRZTDVSA-N 2 2 292.427 -0.166 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896561302 656289512 /nfs/dbraw/zinc/28/95/12/656289512.db2.gz YIADDHWLEXCFDO-ILXRZTDVSA-N 2 2 292.427 -0.166 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896561302 656289514 /nfs/dbraw/zinc/28/95/14/656289514.db2.gz YIADDHWLEXCFDO-ILXRZTDVSA-N 2 2 292.427 -0.166 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)CN2CC[NH+](CC)CC2)C1 ZINC000923574476 658336718 /nfs/dbraw/zinc/33/67/18/658336718.db2.gz SVBRWZYCPCPBTD-OAHLLOKOSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)CN2CC[NH+](CC)CC2)C1 ZINC000923574476 658336720 /nfs/dbraw/zinc/33/67/20/658336720.db2.gz SVBRWZYCPCPBTD-OAHLLOKOSA-N 2 2 292.427 -0.162 20 30 CBEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC#CCO ZINC000923779245 658489670 /nfs/dbraw/zinc/48/96/70/658489670.db2.gz FCOHJKOSJYBAGQ-UHFFFAOYSA-N 2 2 296.415 -0.351 20 30 CBEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC#CCO ZINC000923779245 658489682 /nfs/dbraw/zinc/48/96/82/658489682.db2.gz FCOHJKOSJYBAGQ-UHFFFAOYSA-N 2 2 296.415 -0.351 20 30 CBEDLP Cc1ncc(C#N)c(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000721961162 790785756 /nfs/dbraw/zinc/78/57/56/790785756.db2.gz LWANYKIEECWNJZ-UHFFFAOYSA-N 2 2 260.345 -0.086 20 30 CBEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077236544 805704391 /nfs/dbraw/zinc/70/43/91/805704391.db2.gz NAVLGVBAVJMOSO-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077236544 805704394 /nfs/dbraw/zinc/70/43/94/805704394.db2.gz NAVLGVBAVJMOSO-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077236544 805704397 /nfs/dbraw/zinc/70/43/97/805704397.db2.gz NAVLGVBAVJMOSO-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077236544 805704401 /nfs/dbraw/zinc/70/44/01/805704401.db2.gz NAVLGVBAVJMOSO-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299632 805715351 /nfs/dbraw/zinc/71/53/51/805715351.db2.gz LAAGQIQMXLRNHH-ZIAGYGMSSA-N 2 2 291.395 -0.201 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299632 805715360 /nfs/dbraw/zinc/71/53/60/805715360.db2.gz LAAGQIQMXLRNHH-ZIAGYGMSSA-N 2 2 291.395 -0.201 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077503837 805738347 /nfs/dbraw/zinc/73/83/47/805738347.db2.gz HOBKUGUULYTMEQ-CHWSQXEVSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001077503837 805738351 /nfs/dbraw/zinc/73/83/51/805738351.db2.gz HOBKUGUULYTMEQ-CHWSQXEVSA-N 2 2 279.384 -0.345 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077675289 805763793 /nfs/dbraw/zinc/76/37/93/805763793.db2.gz IANQYCPSNYFLAZ-JHJVBQTASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077675289 805763803 /nfs/dbraw/zinc/76/38/03/805763803.db2.gz IANQYCPSNYFLAZ-JHJVBQTASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675289 805763810 /nfs/dbraw/zinc/76/38/10/805763810.db2.gz IANQYCPSNYFLAZ-JHJVBQTASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675289 805763820 /nfs/dbraw/zinc/76/38/20/805763820.db2.gz IANQYCPSNYFLAZ-JHJVBQTASA-N 2 2 267.373 -0.182 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077927778 805808428 /nfs/dbraw/zinc/80/84/28/805808428.db2.gz FLNOADDWWKMFBU-HUUCEWRRSA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077927778 805808437 /nfs/dbraw/zinc/80/84/37/805808437.db2.gz FLNOADDWWKMFBU-HUUCEWRRSA-N 2 2 293.411 -0.099 20 30 CBEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007739 805822238 /nfs/dbraw/zinc/82/22/38/805822238.db2.gz YWEBYYQNCZMPLY-CHWSQXEVSA-N 2 2 278.356 -0.300 20 30 CBEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007739 805822247 /nfs/dbraw/zinc/82/22/47/805822247.db2.gz YWEBYYQNCZMPLY-CHWSQXEVSA-N 2 2 278.356 -0.300 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078018076 805822967 /nfs/dbraw/zinc/82/29/67/805822967.db2.gz MEGXOZJUOGEKFJ-TZMCWYRMSA-N 2 2 288.351 -0.444 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078018076 805822975 /nfs/dbraw/zinc/82/29/75/805822975.db2.gz MEGXOZJUOGEKFJ-TZMCWYRMSA-N 2 2 288.351 -0.444 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001078205770 805857754 /nfs/dbraw/zinc/85/77/54/805857754.db2.gz BZGBFNWMYVYGLP-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001078205770 805857760 /nfs/dbraw/zinc/85/77/60/805857760.db2.gz BZGBFNWMYVYGLP-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078205770 805857766 /nfs/dbraw/zinc/85/77/66/805857766.db2.gz BZGBFNWMYVYGLP-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078205770 805857772 /nfs/dbraw/zinc/85/77/72/805857772.db2.gz BZGBFNWMYVYGLP-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270329 805864465 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C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC=C)C[C@@H]1O ZINC001083535812 806357005 /nfs/dbraw/zinc/35/70/05/806357005.db2.gz NJWDKZDEZMSVGY-ILXRZTDVSA-N 2 2 291.395 -0.179 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001083535833 806358872 /nfs/dbraw/zinc/35/88/72/806358872.db2.gz PCDNZMOCTOLGEM-RDBSUJKOSA-N 2 2 297.374 -0.395 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001083535833 806358881 /nfs/dbraw/zinc/35/88/81/806358881.db2.gz PCDNZMOCTOLGEM-RDBSUJKOSA-N 2 2 297.374 -0.395 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001083535833 806358888 /nfs/dbraw/zinc/35/88/88/806358888.db2.gz PCDNZMOCTOLGEM-RDBSUJKOSA-N 2 2 297.374 -0.395 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@@H]1O ZINC001083535833 806358898 /nfs/dbraw/zinc/35/88/98/806358898.db2.gz PCDNZMOCTOLGEM-RDBSUJKOSA-N 2 2 297.374 -0.395 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593288 806378325 /nfs/dbraw/zinc/37/83/25/806378325.db2.gz JKKZQZPGIKMMFJ-ILXRZTDVSA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593288 806378335 /nfs/dbraw/zinc/37/83/35/806378335.db2.gz JKKZQZPGIKMMFJ-ILXRZTDVSA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593288 806378345 /nfs/dbraw/zinc/37/83/45/806378345.db2.gz JKKZQZPGIKMMFJ-ILXRZTDVSA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593288 806378354 /nfs/dbraw/zinc/37/83/54/806378354.db2.gz JKKZQZPGIKMMFJ-ILXRZTDVSA-N 2 2 293.411 -0.099 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725494 806415228 /nfs/dbraw/zinc/41/52/28/806415228.db2.gz FUMYQURNDOYNHN-HZSPNIEDSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725494 806415232 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OZBMRHXQEUPSSF-XQQFMLRXSA-N 2 2 267.373 -0.325 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083780234 806431004 /nfs/dbraw/zinc/43/10/04/806431004.db2.gz OZBMRHXQEUPSSF-XQQFMLRXSA-N 2 2 267.373 -0.325 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057965 806484720 /nfs/dbraw/zinc/48/47/20/806484720.db2.gz CZHJSAJPNGQMAK-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057965 806484725 /nfs/dbraw/zinc/48/47/25/806484725.db2.gz CZHJSAJPNGQMAK-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085983122 806629389 /nfs/dbraw/zinc/62/93/89/806629389.db2.gz ZIQDVNCDNVKDDW-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085983122 806629395 /nfs/dbraw/zinc/62/93/95/806629395.db2.gz ZIQDVNCDNVKDDW-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085983122 806629399 /nfs/dbraw/zinc/62/93/99/806629399.db2.gz ZIQDVNCDNVKDDW-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085983122 806629404 /nfs/dbraw/zinc/62/94/04/806629404.db2.gz ZIQDVNCDNVKDDW-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085983119 806630209 /nfs/dbraw/zinc/63/02/09/806630209.db2.gz ZIQDVNCDNVKDDW-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085983119 806630215 /nfs/dbraw/zinc/63/02/15/806630215.db2.gz ZIQDVNCDNVKDDW-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085983119 806630220 /nfs/dbraw/zinc/63/02/20/806630220.db2.gz ZIQDVNCDNVKDDW-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085983119 806630226 /nfs/dbraw/zinc/63/02/26/806630226.db2.gz ZIQDVNCDNVKDDW-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030706222 799363970 /nfs/dbraw/zinc/36/39/70/799363970.db2.gz YHBBXYDZJOHRPW-UGWHAMFMSA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030706222 799363977 /nfs/dbraw/zinc/36/39/77/799363977.db2.gz YHBBXYDZJOHRPW-UGWHAMFMSA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001032201409 799593613 /nfs/dbraw/zinc/59/36/13/799593613.db2.gz BTTKDYNUSWLDIK-ZDUSSCGKSA-N 2 2 265.357 -0.612 20 30 CBEDLP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001032201409 799593617 /nfs/dbraw/zinc/59/36/17/799593617.db2.gz BTTKDYNUSWLDIK-ZDUSSCGKSA-N 2 2 265.357 -0.612 20 30 CBEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001032784970 799668237 /nfs/dbraw/zinc/66/82/37/799668237.db2.gz RNAKBHQVIYUJJR-ILXRZTDVSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001032784970 799668240 /nfs/dbraw/zinc/66/82/40/799668240.db2.gz RNAKBHQVIYUJJR-ILXRZTDVSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001032784971 799668317 /nfs/dbraw/zinc/66/83/17/799668317.db2.gz RNAKBHQVIYUJJR-KKUMJFAQSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001032784971 799668319 /nfs/dbraw/zinc/66/83/19/799668319.db2.gz RNAKBHQVIYUJJR-KKUMJFAQSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001032827163 799673476 /nfs/dbraw/zinc/67/34/76/799673476.db2.gz NQGNVQGTBFWEPG-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001032827163 799673480 /nfs/dbraw/zinc/67/34/80/799673480.db2.gz NQGNVQGTBFWEPG-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](C)O)C1 ZINC001032827163 799673484 /nfs/dbraw/zinc/67/34/84/799673484.db2.gz NQGNVQGTBFWEPG-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](C)O)C1 ZINC001032827163 799673489 /nfs/dbraw/zinc/67/34/89/799673489.db2.gz NQGNVQGTBFWEPG-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032981425 799699236 /nfs/dbraw/zinc/69/92/36/799699236.db2.gz SBKGWOZQIFKUCO-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032981425 799699238 /nfs/dbraw/zinc/69/92/38/799699238.db2.gz SBKGWOZQIFKUCO-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032981425 799699243 /nfs/dbraw/zinc/69/92/43/799699243.db2.gz SBKGWOZQIFKUCO-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032981425 799699247 /nfs/dbraw/zinc/69/92/47/799699247.db2.gz SBKGWOZQIFKUCO-UONOGXRCSA-N 2 2 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294.399 -0.569 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001318301853 817095295 /nfs/dbraw/zinc/09/52/95/817095295.db2.gz XLLHXSOIRVGMSP-KBPBESRZSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001318301853 817095303 /nfs/dbraw/zinc/09/53/03/817095303.db2.gz XLLHXSOIRVGMSP-KBPBESRZSA-N 2 2 279.384 -0.222 20 30 CBEDLP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001319539352 817216932 /nfs/dbraw/zinc/21/69/32/817216932.db2.gz ZCPQQMVBRPTHIG-SNVBAGLBSA-N 2 2 292.343 -0.972 20 30 CBEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517878 823764568 /nfs/dbraw/zinc/76/45/68/823764568.db2.gz WFVXAFWCXHEZIQ-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517878 823764578 /nfs/dbraw/zinc/76/45/78/823764578.db2.gz WFVXAFWCXHEZIQ-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189517878 823764583 /nfs/dbraw/zinc/76/45/83/823764583.db2.gz WFVXAFWCXHEZIQ-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189517878 823764590 /nfs/dbraw/zinc/76/45/90/823764590.db2.gz WFVXAFWCXHEZIQ-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517879 823765367 /nfs/dbraw/zinc/76/53/67/823765367.db2.gz WFVXAFWCXHEZIQ-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189517879 823765370 /nfs/dbraw/zinc/76/53/70/823765370.db2.gz WFVXAFWCXHEZIQ-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189517879 823765371 /nfs/dbraw/zinc/76/53/71/823765371.db2.gz WFVXAFWCXHEZIQ-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189517879 823765372 /nfs/dbraw/zinc/76/53/72/823765372.db2.gz WFVXAFWCXHEZIQ-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167352823 820084496 /nfs/dbraw/zinc/08/44/96/820084496.db2.gz MWNFQLFPPCRNJB-UHFFFAOYSA-N 2 2 279.344 -0.650 20 30 CBEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178417798 820581107 /nfs/dbraw/zinc/58/11/07/820581107.db2.gz DQAHKFZQLKUSDM-MELADBBJSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178417798 820581111 /nfs/dbraw/zinc/58/11/11/820581111.db2.gz DQAHKFZQLKUSDM-MELADBBJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001279737408 828336900 /nfs/dbraw/zinc/33/69/00/828336900.db2.gz JVGABIDKPPKWKO-CHWSQXEVSA-N 2 2 290.367 -0.053 20 30 CBEDLP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001279737408 828336909 /nfs/dbraw/zinc/33/69/09/828336909.db2.gz JVGABIDKPPKWKO-CHWSQXEVSA-N 2 2 290.367 -0.053 20 30 CBEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368576 822332823 /nfs/dbraw/zinc/33/28/23/822332823.db2.gz BFXRCVPOPSQQES-CYBMUJFWSA-N 2 2 276.340 -0.277 20 30 CBEDLP C#CC[NH2+][C@@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001283754615 828542188 /nfs/dbraw/zinc/54/21/88/828542188.db2.gz CMAXFQVVRFMLBA-CYBMUJFWSA-N 2 2 286.335 -0.044 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001284416017 828592565 /nfs/dbraw/zinc/59/25/65/828592565.db2.gz JTFJNOBTLXXOFK-GFCCVEGCSA-N 2 2 264.329 -0.616 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001284416017 828592571 /nfs/dbraw/zinc/59/25/71/828592571.db2.gz JTFJNOBTLXXOFK-GFCCVEGCSA-N 2 2 264.329 -0.616 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193756532 824045560 /nfs/dbraw/zinc/04/55/60/824045560.db2.gz SXVVKYXGNOMFJJ-UPJWGTAASA-N 2 2 265.357 -0.879 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193756532 824045563 /nfs/dbraw/zinc/04/55/63/824045563.db2.gz SXVVKYXGNOMFJJ-UPJWGTAASA-N 2 2 265.357 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ZINC001195109981 824102737 /nfs/dbraw/zinc/10/27/37/824102737.db2.gz LZGJRYAEFBRQJV-VXGBXAGGSA-N 2 2 264.329 -0.380 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196199219 824152692 /nfs/dbraw/zinc/15/26/92/824152692.db2.gz DUVWSIYXUIBZRJ-CHWSQXEVSA-N 2 2 281.400 -0.241 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196199219 824152694 /nfs/dbraw/zinc/15/26/94/824152694.db2.gz DUVWSIYXUIBZRJ-CHWSQXEVSA-N 2 2 281.400 -0.241 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196199219 824152695 /nfs/dbraw/zinc/15/26/95/824152695.db2.gz DUVWSIYXUIBZRJ-CHWSQXEVSA-N 2 2 281.400 -0.241 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196199219 824152697 /nfs/dbraw/zinc/15/26/97/824152697.db2.gz DUVWSIYXUIBZRJ-CHWSQXEVSA-N 2 2 281.400 -0.241 20 30 CBEDLP N#Cc1ccn2ncc(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206490398 824400321 /nfs/dbraw/zinc/40/03/21/824400321.db2.gz BHGZSOREKZWZPC-SMDDNHRTSA-N 2 2 271.324 -0.043 20 30 CBEDLP N#Cc1ccn2ncc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206490398 824400326 /nfs/dbraw/zinc/40/03/26/824400326.db2.gz BHGZSOREKZWZPC-SMDDNHRTSA-N 2 2 271.324 -0.043 20 30 CBEDLP N#Cc1cnc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1 ZINC001218503443 824573503 /nfs/dbraw/zinc/57/35/03/824573503.db2.gz GZGWIRZVKHNYRC-LNLATYFQSA-N 2 2 258.285 -0.491 20 30 CBEDLP N#Cc1cnc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218504503 824573805 /nfs/dbraw/zinc/57/38/05/824573805.db2.gz PIWKYCWIORLNDL-SECBINFHSA-N 2 2 257.257 -0.420 20 30 CBEDLP COC(=O)c1scc(C#N)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218605023 824602504 /nfs/dbraw/zinc/60/25/04/824602504.db2.gz LLAWCYKVUOKLQC-YUMQZZPRSA-N 2 2 294.336 -0.108 20 30 CBEDLP C#Cc1cnc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(C#C)n1 ZINC001218657220 824616504 /nfs/dbraw/zinc/61/65/04/824616504.db2.gz FCWVVFNGNIMFFA-HCKVZZMMSA-N 2 2 281.319 -0.401 20 30 CBEDLP N#Cc1ccnnc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218702832 824625207 /nfs/dbraw/zinc/62/52/07/824625207.db2.gz XWDNWQJIXALRMR-LNLATYFQSA-N 2 2 258.285 -0.491 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724192 824887342 /nfs/dbraw/zinc/88/73/42/824887342.db2.gz AYUNMGXFROKVPA-MJBXVCDLSA-N 2 2 299.390 -0.149 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219724192 824887348 /nfs/dbraw/zinc/88/73/48/824887348.db2.gz AYUNMGXFROKVPA-MJBXVCDLSA-N 2 2 299.390 -0.149 20 30 CBEDLP C=C(C)C(=O)NCCCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220043041 824942586 /nfs/dbraw/zinc/94/25/86/824942586.db2.gz CEOKTJYWJQXZAQ-UHFFFAOYSA-N 2 2 268.361 -0.734 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105835 824957313 /nfs/dbraw/zinc/95/73/13/824957313.db2.gz NODOBFGHDQELNL-OLZOCXBDSA-N 2 2 276.340 -0.542 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105835 824957316 /nfs/dbraw/zinc/95/73/16/824957316.db2.gz NODOBFGHDQELNL-OLZOCXBDSA-N 2 2 276.340 -0.542 20 30 CBEDLP C=C[C@@H]1C[C@]1(NC(=O)C1([NH3+])CC[NH2+]CC1)C(=O)OCC ZINC001220571309 825065230 /nfs/dbraw/zinc/06/52/30/825065230.db2.gz OGIPQFZWVPJBCR-QMTHXVAHSA-N 2 2 281.356 -0.309 20 30 CBEDLP C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)OCC ZINC001220571296 825066712 /nfs/dbraw/zinc/06/67/12/825066712.db2.gz OCQXSPPQDQLFKD-DNJQJEMRSA-N 2 2 267.329 -0.700 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220576697 825069760 /nfs/dbraw/zinc/06/97/60/825069760.db2.gz MHGBSDQJSZRVTL-NEPJUHHUSA-N 2 2 253.346 -0.877 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220576697 825069768 /nfs/dbraw/zinc/06/97/68/825069768.db2.gz MHGBSDQJSZRVTL-NEPJUHHUSA-N 2 2 253.346 -0.877 20 30 CBEDLP N#Cc1cnc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)s1 ZINC001220872575 825118096 /nfs/dbraw/zinc/11/80/96/825118096.db2.gz ZNCDQBZHRDJABE-SVRRBLITSA-N 2 2 251.315 -0.680 20 30 CBEDLP N#CC1(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCOCC1 ZINC001220967090 825129760 /nfs/dbraw/zinc/12/97/60/825129760.db2.gz REUXCEHIQWCJAJ-GXFFZTMASA-N 2 2 264.329 -0.873 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221095473 825142727 /nfs/dbraw/zinc/14/27/27/825142727.db2.gz FTHXAVMCLAUFFW-ILXRZTDVSA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221095473 825142730 /nfs/dbraw/zinc/14/27/30/825142730.db2.gz FTHXAVMCLAUFFW-ILXRZTDVSA-N 2 2 293.411 -0.099 20 30 CBEDLP N#CC1(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])Cc2ccccc2C1 ZINC001221368426 825177588 /nfs/dbraw/zinc/17/75/88/825177588.db2.gz WZSRQUIBZHMNME-STQMWFEESA-N 2 2 270.336 -0.290 20 30 CBEDLP C=CC[C@@](C)(NC(=O)C1([NH3+])CC[NH2+]CC1)C(=O)OC ZINC001221381508 825180700 /nfs/dbraw/zinc/18/07/00/825180700.db2.gz FAKIVMQVUQFJHZ-GFCCVEGCSA-N 2 2 269.345 -0.309 20 30 CBEDLP C=CC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC ZINC001246264520 825657707 /nfs/dbraw/zinc/65/77/07/825657707.db2.gz CDKQJWZOOXFJGB-QWRGUYRKSA-N 2 2 253.346 -0.212 20 30 CBEDLP C=CCOC[C@@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001252473971 825871131 /nfs/dbraw/zinc/87/11/31/825871131.db2.gz UBSPFGVVQXLNPO-AWEZNQCLSA-N 2 2 269.389 -0.519 20 30 CBEDLP C=CCC[C@@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC001252624775 825877865 /nfs/dbraw/zinc/87/78/65/825877865.db2.gz LTNGRCGYHHSVIE-MNOVXSKESA-N 2 2 252.318 -0.277 20 30 CBEDLP C#CC[NH+]1CCN(C[C@H](O)C[NH+](CC)CC)CC1 ZINC001253187065 825902506 /nfs/dbraw/zinc/90/25/06/825902506.db2.gz BKJYLHMCVAZYGF-CQSZACIVSA-N 2 2 253.390 -0.060 20 30 CBEDLP C[NH+](C)CC#CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001256584518 826026811 /nfs/dbraw/zinc/02/68/11/826026811.db2.gz FQWHTYIMCJQONO-OKILXGFUSA-N 2 2 294.399 -0.286 20 30 CBEDLP C[NH+](C)CC#CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001256584518 826026815 /nfs/dbraw/zinc/02/68/15/826026815.db2.gz FQWHTYIMCJQONO-OKILXGFUSA-N 2 2 294.399 -0.286 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266358956 826988310 /nfs/dbraw/zinc/98/83/10/826988310.db2.gz KHOSTFDRDXTEOL-ZDUSSCGKSA-N 2 2 294.399 -0.425 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266358956 826988324 /nfs/dbraw/zinc/98/83/24/826988324.db2.gz KHOSTFDRDXTEOL-ZDUSSCGKSA-N 2 2 294.399 -0.425 20 30 CBEDLP CC[C@@H](C(=O)NCC[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001267217871 827131954 /nfs/dbraw/zinc/13/19/54/827131954.db2.gz RTEOHGGWZNRJJZ-NSHDSACASA-N 2 2 283.376 -0.986 20 30 CBEDLP CC[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001267217871 827131960 /nfs/dbraw/zinc/13/19/60/827131960.db2.gz RTEOHGGWZNRJJZ-NSHDSACASA-N 2 2 283.376 -0.986 20 30 CBEDLP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001268328496 827303598 /nfs/dbraw/zinc/30/35/98/827303598.db2.gz NIJFRJVMNSHLSK-ZDUSSCGKSA-N 2 2 280.372 -0.005 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268705803 827407663 /nfs/dbraw/zinc/40/76/63/827407663.db2.gz MEFNEYDNDFDRBU-WDEREUQCSA-N 2 2 293.371 -0.263 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001269165672 827470276 /nfs/dbraw/zinc/47/02/76/827470276.db2.gz IBXOBYYRRFVGJF-GFCCVEGCSA-N 2 2 282.388 -0.569 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001269165672 827470278 /nfs/dbraw/zinc/47/02/78/827470278.db2.gz IBXOBYYRRFVGJF-GFCCVEGCSA-N 2 2 282.388 -0.569 20 30 CBEDLP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001272197093 827769820 /nfs/dbraw/zinc/76/98/20/827769820.db2.gz RRECRIQVIIPCKR-CYBMUJFWSA-N 2 2 290.367 -0.511 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001272480088 827806515 /nfs/dbraw/zinc/80/65/15/827806515.db2.gz ZIOZAUQBLORCNX-GFCCVEGCSA-N 2 2 278.356 -0.557 20 30 CBEDLP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001273929887 827941973 /nfs/dbraw/zinc/94/19/73/827941973.db2.gz OMBMCUVMCSRPPR-HNNXBMFYSA-N 2 2 290.367 -0.081 20 30 CBEDLP C=C[C@@](C)(O)C[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274615911 828010960 /nfs/dbraw/zinc/01/09/60/828010960.db2.gz GBOSAHRJXQYFNM-CQSZACIVSA-N 2 2 297.399 -0.602 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001274840889 828034253 /nfs/dbraw/zinc/03/42/53/828034253.db2.gz LJXNWJBALOYXHT-LBPRGKRZSA-N 2 2 291.355 -0.883 20 30 CBEDLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001275580247 828102378 /nfs/dbraw/zinc/10/23/78/828102378.db2.gz KYTZOHIDQAMUNV-WDEREUQCSA-N 2 2 292.343 -0.994 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC ZINC001275574196 828102780 /nfs/dbraw/zinc/10/27/80/828102780.db2.gz PXRGSIWUKHMABM-STQMWFEESA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC ZINC001275574196 828102783 /nfs/dbraw/zinc/10/27/83/828102783.db2.gz PXRGSIWUKHMABM-STQMWFEESA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(=O)NC ZINC001275574196 828102786 /nfs/dbraw/zinc/10/27/86/828102786.db2.gz PXRGSIWUKHMABM-STQMWFEESA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(=O)NC ZINC001275574196 828102789 /nfs/dbraw/zinc/10/27/89/828102789.db2.gz PXRGSIWUKHMABM-STQMWFEESA-N 2 2 294.399 -0.734 20 30 CBEDLP C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001278104974 828248146 /nfs/dbraw/zinc/24/81/46/828248146.db2.gz CQTBIILXRHPJMU-RYUDHWBXSA-N 2 2 278.356 -0.302 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001278868212 828302413 /nfs/dbraw/zinc/30/24/13/828302413.db2.gz QZUFQRLYGSIMCF-CQSZACIVSA-N 2 2 291.395 -0.486 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278923142 828310993 /nfs/dbraw/zinc/31/09/93/828310993.db2.gz WPMREBLTTVBVEM-ZDUSSCGKSA-N 2 2 281.400 -0.241 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278922581 828311174 /nfs/dbraw/zinc/31/11/74/828311174.db2.gz ICJZOLHUVPPOSK-ZDUSSCGKSA-N 2 2 279.384 -0.486 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001278922581 828311184 /nfs/dbraw/zinc/31/11/84/828311184.db2.gz ICJZOLHUVPPOSK-ZDUSSCGKSA-N 2 2 279.384 -0.486 20 30 CBEDLP C#CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCOC ZINC001279041249 828314920 /nfs/dbraw/zinc/31/49/20/828314920.db2.gz VFULXMZPGGTTKH-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCOC ZINC001279041249 828314928 /nfs/dbraw/zinc/31/49/28/828314928.db2.gz VFULXMZPGGTTKH-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CCOC ZINC001279041249 828314940 /nfs/dbraw/zinc/31/49/40/828314940.db2.gz VFULXMZPGGTTKH-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CCOC ZINC001279041249 828314949 /nfs/dbraw/zinc/31/49/49/828314949.db2.gz VFULXMZPGGTTKH-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC001326308917 884982231 /nfs/dbraw/zinc/98/22/31/884982231.db2.gz HFECGROCDKPPHC-WDEREUQCSA-N 2 2 282.344 -0.629 20 30 CBEDLP C#CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001327021310 885224626 /nfs/dbraw/zinc/22/46/26/885224626.db2.gz XLYQBWOTSGHMJX-ZDUSSCGKSA-N 2 2 276.340 -0.277 20 30 CBEDLP C#CC[NH2+][C@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001331741471 886949660 /nfs/dbraw/zinc/94/96/60/886949660.db2.gz UUSIWIXZIMMUJI-NSHDSACASA-N 2 2 272.308 -0.124 20 30 CBEDLP C#CC[C@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001332009630 887082168 /nfs/dbraw/zinc/08/21/68/887082168.db2.gz HYVAIKQCVWJVNS-MRXNPFEDSA-N 2 2 295.427 -0.243 20 30 CBEDLP C=CC[C@H](CO)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336941479 888927680 /nfs/dbraw/zinc/92/76/80/888927680.db2.gz LCDVFFLSVPLAKH-GFCCVEGCSA-N 2 2 270.377 -0.354 20 30 CBEDLP C#CC[NH2+]CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC001340155491 889397715 /nfs/dbraw/zinc/39/77/15/889397715.db2.gz PUXDORRKCWYYLS-CYBMUJFWSA-N 2 2 267.373 -0.318 20 30 CBEDLP C#CC[NH2+]CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC001340891654 889507099 /nfs/dbraw/zinc/50/70/99/889507099.db2.gz BMDYFEVZNFWCFG-ZDUSSCGKSA-N 2 2 266.389 -0.791 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001346453381 890295724 /nfs/dbraw/zinc/29/57/24/890295724.db2.gz IOEWFPRRISXWMF-UHFFFAOYSA-N 3 2 295.431 -0.336 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001346453381 890295736 /nfs/dbraw/zinc/29/57/36/890295736.db2.gz IOEWFPRRISXWMF-UHFFFAOYSA-N 3 2 295.431 -0.336 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COCCOC)CC1 ZINC001353322183 891405331 /nfs/dbraw/zinc/40/53/31/891405331.db2.gz DNRWZVNQSUAYFH-CQSZACIVSA-N 2 2 270.373 -0.303 20 30 CBEDLP C#CC[NH2+]CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001357485727 891904394 /nfs/dbraw/zinc/90/43/94/891904394.db2.gz JMZFJYXUXIDHEB-UHFFFAOYSA-N 2 2 287.367 -0.005 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001367619126 895710374 /nfs/dbraw/zinc/71/03/74/895710374.db2.gz YRXWTRFXEROZOF-JTQLQIEISA-N 2 2 272.736 -0.229 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001374586296 897280909 /nfs/dbraw/zinc/28/09/09/897280909.db2.gz GUNIVTCXIIFGSL-WDEREUQCSA-N 2 2 291.779 -0.864 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001374586296 897280924 /nfs/dbraw/zinc/28/09/24/897280924.db2.gz GUNIVTCXIIFGSL-WDEREUQCSA-N 2 2 291.779 -0.864 20 30 CBEDLP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001410830157 904192806 /nfs/dbraw/zinc/19/28/06/904192806.db2.gz ZABPJGCIJIKLOX-JTQLQIEISA-N 2 2 272.736 -0.298 20 30 CBEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001507240843 921774849 /nfs/dbraw/zinc/77/48/49/921774849.db2.gz PLNXGQVURFPLNP-LLVKDONJSA-N 2 2 250.302 -0.958 20 30 CBEDLP C=C(C)C[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001507254452 921784113 /nfs/dbraw/zinc/78/41/13/921784113.db2.gz BLJBTCMJFSQWHO-NSHDSACASA-N 2 2 266.345 -0.097 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001479909848 916213603 /nfs/dbraw/zinc/21/36/03/916213603.db2.gz UXTPFQNNABACCC-CYBMUJFWSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001479909848 916213618 /nfs/dbraw/zinc/21/36/18/916213618.db2.gz UXTPFQNNABACCC-CYBMUJFWSA-N 2 2 296.415 -0.179 20 30 CBEDLP COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001481683103 916942863 /nfs/dbraw/zinc/94/28/63/916942863.db2.gz RWCNVYXXQSVPQK-ILXRZTDVSA-N 2 2 291.395 -0.127 20 30 CBEDLP COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001481683103 916942871 /nfs/dbraw/zinc/94/28/71/916942871.db2.gz RWCNVYXXQSVPQK-ILXRZTDVSA-N 2 2 291.395 -0.127 20 30 CBEDLP COCC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481683103 916942883 /nfs/dbraw/zinc/94/28/83/916942883.db2.gz RWCNVYXXQSVPQK-ILXRZTDVSA-N 2 2 291.395 -0.127 20 30 CBEDLP COCC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001481683103 916942895 /nfs/dbraw/zinc/94/28/95/916942895.db2.gz RWCNVYXXQSVPQK-ILXRZTDVSA-N 2 2 291.395 -0.127 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001482744040 917247860 /nfs/dbraw/zinc/24/78/60/917247860.db2.gz OPABSLLWIUSCKQ-WCQYABFASA-N 2 2 278.356 -0.302 20 30 CBEDLP CC#CC[NH2+]CCN(CCO)C(=O)CCc1c[nH+]cn1C ZINC001484499766 917879886 /nfs/dbraw/zinc/87/98/86/917879886.db2.gz HTFVZXWMJVBJNO-UHFFFAOYSA-N 2 2 292.383 -0.214 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485234708 918036662 /nfs/dbraw/zinc/03/66/62/918036662.db2.gz NJEIMPUTQCCQQK-NWDGAFQWSA-N 2 2 293.371 -0.332 20 30 CBEDLP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001485648081 918164930 /nfs/dbraw/zinc/16/49/30/918164930.db2.gz XCSFCXWABUYFKJ-NWDGAFQWSA-N 2 2 276.340 -0.209 20 30 CBEDLP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485983914 918274368 /nfs/dbraw/zinc/27/43/68/918274368.db2.gz DNRNPOWGJBBAPV-QWRGUYRKSA-N 2 2 291.779 -0.864 20 30 CBEDLP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001485983914 918274383 /nfs/dbraw/zinc/27/43/83/918274383.db2.gz DNRNPOWGJBBAPV-QWRGUYRKSA-N 2 2 291.779 -0.864 20 30 CBEDLP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001486009897 918301554 /nfs/dbraw/zinc/30/15/54/918301554.db2.gz DTELELUSKDREBG-STQMWFEESA-N 2 2 290.367 -0.465 20 30 CBEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001486009896 918303716 /nfs/dbraw/zinc/30/37/16/918303716.db2.gz DTELELUSKDREBG-QWHCGFSZSA-N 2 2 290.367 -0.465 20 30 CBEDLP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001486352077 918443347 /nfs/dbraw/zinc/44/33/47/918443347.db2.gz YMMQXPPHVNZGJK-LBPRGKRZSA-N 2 2 266.345 -0.111 20 30 CBEDLP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001486352077 918443352 /nfs/dbraw/zinc/44/33/52/918443352.db2.gz YMMQXPPHVNZGJK-LBPRGKRZSA-N 2 2 266.345 -0.111 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001491692867 919255723 /nfs/dbraw/zinc/25/57/23/919255723.db2.gz AIHFHTLFVPRQRO-NSHDSACASA-N 2 2 279.344 -0.720 20 30 CBEDLP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001496195068 920041671 /nfs/dbraw/zinc/04/16/71/920041671.db2.gz WYMZRYFJRIMTNP-LLVKDONJSA-N 2 2 291.355 -0.862 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001497013442 920208036 /nfs/dbraw/zinc/20/80/36/920208036.db2.gz XZTYTHIHEYDVBI-AAEUAGOBSA-N 2 2 278.356 -0.302 20 30 CBEDLP CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001497062796 920233953 /nfs/dbraw/zinc/23/39/53/920233953.db2.gz FVJUFENPDNRNSK-OLZOCXBDSA-N 2 2 278.356 -0.076 20 30 CBEDLP CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001497062801 920234798 /nfs/dbraw/zinc/23/47/98/920234798.db2.gz FVJUFENPDNRNSK-STQMWFEESA-N 2 2 278.356 -0.076 20 30 CBEDLP CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001497062793 920235157 /nfs/dbraw/zinc/23/51/57/920235157.db2.gz FVJUFENPDNRNSK-CHWSQXEVSA-N 2 2 278.356 -0.076 20 30 CBEDLP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001507505889 921860492 /nfs/dbraw/zinc/86/04/92/921860492.db2.gz ACEFTKHQIJHART-ZDUSSCGKSA-N 2 2 294.355 -0.989 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1[NH2+]CCc2occc21 ZINC001521512068 922366132 /nfs/dbraw/zinc/36/61/32/922366132.db2.gz FGCDBNVCNOWTEB-UISBYWKRSA-N 2 2 260.297 -0.306 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001521940035 922390396 /nfs/dbraw/zinc/39/03/96/922390396.db2.gz QMTVFUFYJUFNKL-VXGBXAGGSA-N 2 2 253.346 -0.565 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001521940035 922390411 /nfs/dbraw/zinc/39/04/11/922390411.db2.gz QMTVFUFYJUFNKL-VXGBXAGGSA-N 2 2 253.346 -0.565 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000305337129 352748364 /nfs/dbraw/zinc/74/83/64/352748364.db2.gz ODJSUACIRJMPRQ-CABCVRRESA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000305337129 352748366 /nfs/dbraw/zinc/74/83/66/352748366.db2.gz ODJSUACIRJMPRQ-CABCVRRESA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C[C@@H](C)O)CC1 ZINC000305214750 352748399 /nfs/dbraw/zinc/74/83/99/352748399.db2.gz HZZJPGAPOHDNKO-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@@H](C)O)CC1 ZINC000305214750 352748400 /nfs/dbraw/zinc/74/84/00/352748400.db2.gz HZZJPGAPOHDNKO-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CO)CC1 ZINC000305750958 352750452 /nfs/dbraw/zinc/75/04/52/352750452.db2.gz YZFUTNCGKBKANI-GJZGRUSLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CO)CC1 ZINC000305750958 352750455 /nfs/dbraw/zinc/75/04/55/352750455.db2.gz YZFUTNCGKBKANI-GJZGRUSLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374998409 353752257 /nfs/dbraw/zinc/75/22/57/353752257.db2.gz MZHZNJQMGUQRMC-UHFFFAOYSA-N 2 2 297.399 -0.552 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430578751 354250528 /nfs/dbraw/zinc/25/05/28/354250528.db2.gz FORUKWSMDKUMIK-GFCCVEGCSA-N 2 2 254.334 -0.285 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCn2cccn2)CC1 ZINC000490781245 354446946 /nfs/dbraw/zinc/44/69/46/354446946.db2.gz ZAJVUMSTARZZNN-UHFFFAOYSA-N 2 2 289.383 -0.408 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCn2cccn2)CC1 ZINC000490781245 354446949 /nfs/dbraw/zinc/44/69/49/354446949.db2.gz ZAJVUMSTARZZNN-UHFFFAOYSA-N 2 2 289.383 -0.408 20 30 CBEDLP C[N@H+](CCC#N)C[C@@H](O)CN[C@@H](CO)C[NH+]1CCCCC1 ZINC000520407403 354566332 /nfs/dbraw/zinc/56/63/32/354566332.db2.gz BDDFKGRTJXMHOS-CABCVRRESA-N 2 2 298.431 -0.371 20 30 CBEDLP C[N@@H+](CCC#N)C[C@@H](O)CN[C@@H](CO)C[NH+]1CCCCC1 ZINC000520407403 354566337 /nfs/dbraw/zinc/56/63/37/354566337.db2.gz BDDFKGRTJXMHOS-CABCVRRESA-N 2 2 298.431 -0.371 20 30 CBEDLP CC[N@@H+]1CCO[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000531293453 354589700 /nfs/dbraw/zinc/58/97/00/354589700.db2.gz ZBOSIRASJRBPGP-LBPRGKRZSA-N 2 2 280.372 -0.189 20 30 CBEDLP CC[N@H+]1CCO[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000531293453 354589704 /nfs/dbraw/zinc/58/97/04/354589704.db2.gz ZBOSIRASJRBPGP-LBPRGKRZSA-N 2 2 280.372 -0.189 20 30 CBEDLP C=CC[C@H](CO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569927935 354849836 /nfs/dbraw/zinc/84/98/36/354849836.db2.gz RDCRKSYYWMAXPJ-RQJABVFESA-N 2 2 272.389 -0.017 20 30 CBEDLP C=CC[C@H](CO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000569927935 354849838 /nfs/dbraw/zinc/84/98/38/354849838.db2.gz RDCRKSYYWMAXPJ-RQJABVFESA-N 2 2 272.389 -0.017 20 30 CBEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592145581 355133881 /nfs/dbraw/zinc/13/38/81/355133881.db2.gz XYPBIQFBSDQTJQ-OAHLLOKOSA-N 2 2 294.399 -0.063 20 30 CBEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592145581 355133884 /nfs/dbraw/zinc/13/38/84/355133884.db2.gz XYPBIQFBSDQTJQ-OAHLLOKOSA-N 2 2 294.399 -0.063 20 30 CBEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592148520 355134588 /nfs/dbraw/zinc/13/45/88/355134588.db2.gz ZJWVFCDNBBOUDG-HIFRSBDPSA-N 2 2 294.399 -0.111 20 30 CBEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592148520 355134592 /nfs/dbraw/zinc/13/45/92/355134592.db2.gz ZJWVFCDNBBOUDG-HIFRSBDPSA-N 2 2 294.399 -0.111 20 30 CBEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cn1cnc(C#N)n1 ZINC000597989657 355425672 /nfs/dbraw/zinc/42/56/72/355425672.db2.gz HNGAYYRHNFDUFX-UHFFFAOYSA-N 2 2 293.375 -0.851 20 30 CBEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cn1cnc(C#N)n1 ZINC000597989657 355425676 /nfs/dbraw/zinc/42/56/76/355425676.db2.gz HNGAYYRHNFDUFX-UHFFFAOYSA-N 2 2 293.375 -0.851 20 30 CBEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603833608 355720320 /nfs/dbraw/zinc/72/03/20/355720320.db2.gz XRGPQYRHUAVGOZ-SDDRHHMPSA-N 2 2 250.346 -0.102 20 30 CBEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603833608 355720324 /nfs/dbraw/zinc/72/03/24/355720324.db2.gz XRGPQYRHUAVGOZ-SDDRHHMPSA-N 2 2 250.346 -0.102 20 30 CBEDLP C=C[C@@](C)(O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617762290 356156041 /nfs/dbraw/zinc/15/60/41/356156041.db2.gz LZMFNJOBJMQVTL-CYBMUJFWSA-N 2 2 257.378 -0.077 20 30 CBEDLP C=C[C@@](C)(O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617762290 356156043 /nfs/dbraw/zinc/15/60/43/356156043.db2.gz LZMFNJOBJMQVTL-CYBMUJFWSA-N 2 2 257.378 -0.077 20 30 CBEDLP CC#CC[NH2+]Cc1cn(C[C@H](O)C[NH+]2CCOCC2)nn1 ZINC000641208279 357679198 /nfs/dbraw/zinc/67/91/98/357679198.db2.gz PXCJWCQBVQRKPD-CQSZACIVSA-N 2 2 293.371 -0.916 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040599056 220192314 /nfs/dbraw/zinc/19/23/14/220192314.db2.gz PBJAIUOYIOMDOD-NSHDSACASA-N 2 2 268.361 -0.070 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040599056 220192318 /nfs/dbraw/zinc/19/23/18/220192318.db2.gz PBJAIUOYIOMDOD-NSHDSACASA-N 2 2 268.361 -0.070 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530168 220193053 /nfs/dbraw/zinc/19/30/53/220193053.db2.gz OCSJWGZMUYNMHY-SNVBAGLBSA-N 2 2 254.334 -0.331 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530168 220193056 /nfs/dbraw/zinc/19/30/56/220193056.db2.gz OCSJWGZMUYNMHY-SNVBAGLBSA-N 2 2 254.334 -0.331 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341925 220199906 /nfs/dbraw/zinc/19/99/06/220199906.db2.gz FBUCFOAMZRFMRW-UWVGGRQHSA-N 2 2 254.334 -0.333 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341925 220199912 /nfs/dbraw/zinc/19/99/12/220199912.db2.gz FBUCFOAMZRFMRW-UWVGGRQHSA-N 2 2 254.334 -0.333 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261613630 220244425 /nfs/dbraw/zinc/24/44/25/220244425.db2.gz SUNWEXGFRUVBFI-ZDUSSCGKSA-N 2 2 266.345 -0.316 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261613630 220244427 /nfs/dbraw/zinc/24/44/27/220244427.db2.gz SUNWEXGFRUVBFI-ZDUSSCGKSA-N 2 2 266.345 -0.316 20 30 CBEDLP C[NH2+]C[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000563712995 374325645 /nfs/dbraw/zinc/32/56/45/374325645.db2.gz FLOPXVKXDKHXER-GFCCVEGCSA-N 2 2 297.380 -0.498 20 30 CBEDLP CNC(=[NH2+])NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000303258357 220325018 /nfs/dbraw/zinc/32/50/18/220325018.db2.gz KUZYPHDAVTZSND-NSHDSACASA-N 2 2 258.391 -0.272 20 30 CBEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[NH+](C)CCO1 ZINC000303985265 220325436 /nfs/dbraw/zinc/32/54/36/220325436.db2.gz SUPXAANYJWBUDC-CHWSQXEVSA-N 3 2 283.420 -0.294 20 30 CBEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[NH+](C)CCO1 ZINC000303985265 220325439 /nfs/dbraw/zinc/32/54/39/220325439.db2.gz SUPXAANYJWBUDC-CHWSQXEVSA-N 3 2 283.420 -0.294 20 30 CBEDLP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000303985265 220325443 /nfs/dbraw/zinc/32/54/43/220325443.db2.gz SUPXAANYJWBUDC-CHWSQXEVSA-N 3 2 283.420 -0.294 20 30 CBEDLP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000303985265 220325447 /nfs/dbraw/zinc/32/54/47/220325447.db2.gz SUPXAANYJWBUDC-CHWSQXEVSA-N 3 2 283.420 -0.294 20 30 CBEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000328650860 220326849 /nfs/dbraw/zinc/32/68/49/220326849.db2.gz BERKESOXIPYBRT-LBPRGKRZSA-N 2 2 269.393 -0.559 20 30 CBEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000328650860 220326851 /nfs/dbraw/zinc/32/68/51/220326851.db2.gz BERKESOXIPYBRT-LBPRGKRZSA-N 2 2 269.393 -0.559 20 30 CBEDLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC[NH+]2CCC2)C1 ZINC000328650860 220326855 /nfs/dbraw/zinc/32/68/55/220326855.db2.gz BERKESOXIPYBRT-LBPRGKRZSA-N 2 2 269.393 -0.559 20 30 CBEDLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC[NH+]2CCC2)C1 ZINC000328650860 220326856 /nfs/dbraw/zinc/32/68/56/220326856.db2.gz BERKESOXIPYBRT-LBPRGKRZSA-N 2 2 269.393 -0.559 20 30 CBEDLP C[NH+]1CCO[C@H]2CN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000329894519 220345735 /nfs/dbraw/zinc/34/57/35/220345735.db2.gz BIJAYGSMGJUPLT-UPJWGTAASA-N 2 2 298.387 -0.754 20 30 CBEDLP C[NH+]1CCO[C@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000329894519 220345741 /nfs/dbraw/zinc/34/57/41/220345741.db2.gz BIJAYGSMGJUPLT-UPJWGTAASA-N 2 2 298.387 -0.754 20 30 CBEDLP C[NH+]1CCO[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C1 ZINC000329894519 220345745 /nfs/dbraw/zinc/34/57/45/220345745.db2.gz BIJAYGSMGJUPLT-UPJWGTAASA-N 2 2 298.387 -0.754 20 30 CBEDLP C[NH+]1CCO[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C1 ZINC000329894519 220345749 /nfs/dbraw/zinc/34/57/49/220345749.db2.gz BIJAYGSMGJUPLT-UPJWGTAASA-N 2 2 298.387 -0.754 20 30 CBEDLP CNC(=O)NC(=O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330758014 220362099 /nfs/dbraw/zinc/36/20/99/220362099.db2.gz LJRYOZPTMVMPMU-UHFFFAOYSA-N 2 2 294.359 -0.423 20 30 CBEDLP CN(CCO)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000330580689 220357352 /nfs/dbraw/zinc/35/73/52/220357352.db2.gz PYLSSAJLEHZYBA-UHFFFAOYSA-N 2 2 272.393 -0.150 20 30 CBEDLP CNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000330901960 220367296 /nfs/dbraw/zinc/36/72/96/220367296.db2.gz RXHFDSKLLOYJHQ-SNVBAGLBSA-N 2 2 286.376 -0.265 20 30 CBEDLP C=CCOCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685337 419924904 /nfs/dbraw/zinc/92/49/04/419924904.db2.gz XRGXKPBVYWZRJE-UHFFFAOYSA-N 2 2 255.362 -0.105 20 30 CBEDLP C=CCOCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685337 419924907 /nfs/dbraw/zinc/92/49/07/419924907.db2.gz XRGXKPBVYWZRJE-UHFFFAOYSA-N 2 2 255.362 -0.105 20 30 CBEDLP C#C[C@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000491416725 420313026 /nfs/dbraw/zinc/31/30/26/420313026.db2.gz LIBYXPRQHQEHAC-ZDUSSCGKSA-N 2 2 265.357 -0.516 20 30 CBEDLP C#C[C@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000491416725 420313030 /nfs/dbraw/zinc/31/30/30/420313030.db2.gz LIBYXPRQHQEHAC-ZDUSSCGKSA-N 2 2 265.357 -0.516 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](OC)C2)CC1 ZINC000490866630 261231241 /nfs/dbraw/zinc/23/12/41/261231241.db2.gz RMKNLDWQWLLWML-ZDUSSCGKSA-N 2 2 265.357 -0.516 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](OC)C2)CC1 ZINC000490866630 261231243 /nfs/dbraw/zinc/23/12/43/261231243.db2.gz RMKNLDWQWLLWML-ZDUSSCGKSA-N 2 2 265.357 -0.516 20 30 CBEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000518759523 261232459 /nfs/dbraw/zinc/23/24/59/261232459.db2.gz ZIZQEUPTUHQASM-CHWSQXEVSA-N 2 2 254.378 -0.123 20 30 CBEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000518759523 261232462 /nfs/dbraw/zinc/23/24/62/261232462.db2.gz ZIZQEUPTUHQASM-CHWSQXEVSA-N 2 2 254.378 -0.123 20 30 CBEDLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000564978172 327308931 /nfs/dbraw/zinc/30/89/31/327308931.db2.gz KOIQPJLNJSBATN-KBPBESRZSA-N 2 2 293.367 -0.190 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC000490740985 332111512 /nfs/dbraw/zinc/11/15/12/332111512.db2.gz SCXNUCISBOOOFZ-CHWSQXEVSA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC000490740985 332111514 /nfs/dbraw/zinc/11/15/14/332111514.db2.gz SCXNUCISBOOOFZ-CHWSQXEVSA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000490841438 332119617 /nfs/dbraw/zinc/11/96/17/332119617.db2.gz UWHJYVSABCUGGQ-KBPBESRZSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)CC1 ZINC000490840924 332119695 /nfs/dbraw/zinc/11/96/95/332119695.db2.gz QGCHOTXVXYAQAT-CYBMUJFWSA-N 2 2 294.399 -0.747 20 30 CBEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000490987066 332136428 /nfs/dbraw/zinc/13/64/28/332136428.db2.gz XJRWNNNAFMICOV-HNNXBMFYSA-N 2 2 292.427 -0.353 20 30 CBEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000490987066 332136429 /nfs/dbraw/zinc/13/64/29/332136429.db2.gz XJRWNNNAFMICOV-HNNXBMFYSA-N 2 2 292.427 -0.353 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000491023165 332140301 /nfs/dbraw/zinc/14/03/01/332140301.db2.gz VSILQDYHMIDWGX-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000491023165 332140303 /nfs/dbraw/zinc/14/03/03/332140303.db2.gz VSILQDYHMIDWGX-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=S)NCC[NH+]1CCOCC1 ZINC000491267065 332177634 /nfs/dbraw/zinc/17/76/34/332177634.db2.gz RPLUQKBGAAHXAE-UHFFFAOYSA-N 2 2 298.456 -0.262 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=S)NCC[NH+]1CCOCC1 ZINC000491267065 332177636 /nfs/dbraw/zinc/17/76/36/332177636.db2.gz RPLUQKBGAAHXAE-UHFFFAOYSA-N 2 2 298.456 -0.262 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](O)(CC)C2)CC1 ZINC000491494712 332222290 /nfs/dbraw/zinc/22/22/90/332222290.db2.gz DYZOLTLNGXXNCW-HNNXBMFYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](O)(CC)C2)CC1 ZINC000491494712 332222292 /nfs/dbraw/zinc/22/22/92/332222292.db2.gz DYZOLTLNGXXNCW-HNNXBMFYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCO[C@@H](CF)C2)CC1 ZINC000491536052 332231533 /nfs/dbraw/zinc/23/15/33/332231533.db2.gz HHYQPZFXWXOUEN-AWEZNQCLSA-N 2 2 297.374 -0.176 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCO[C@@H](CF)C2)CC1 ZINC000491536052 332231534 /nfs/dbraw/zinc/23/15/34/332231534.db2.gz HHYQPZFXWXOUEN-AWEZNQCLSA-N 2 2 297.374 -0.176 20 30 CBEDLP C#C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000491652555 332265338 /nfs/dbraw/zinc/26/53/38/332265338.db2.gz AEQNLOXGBLAIHJ-NWDGAFQWSA-N 2 2 252.362 -0.072 20 30 CBEDLP C#C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000491652555 332265340 /nfs/dbraw/zinc/26/53/40/332265340.db2.gz AEQNLOXGBLAIHJ-NWDGAFQWSA-N 2 2 252.362 -0.072 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2[C@H](C)CC(O)C[C@H]2C)CC1 ZINC000491703608 332297658 /nfs/dbraw/zinc/29/76/58/332297658.db2.gz HXHPHCFZXJGANR-ZIAGYGMSSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@H](C)CO)CC1 ZINC000491745615 332323483 /nfs/dbraw/zinc/32/34/83/332323483.db2.gz UBIIGYWARSENHI-CHWSQXEVSA-N 2 2 267.373 -0.630 20 30 CBEDLP C#CCNC(=O)CN1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000491750787 332327283 /nfs/dbraw/zinc/32/72/83/332327283.db2.gz IZNQEDYSHDIHKQ-UHFFFAOYSA-N 2 2 289.383 -0.441 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000491813556 332365235 /nfs/dbraw/zinc/36/52/35/332365235.db2.gz HYGBUPXZFYUTMN-UHFFFAOYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000491813556 332365236 /nfs/dbraw/zinc/36/52/36/332365236.db2.gz HYGBUPXZFYUTMN-UHFFFAOYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]([C@H](C)O)C2)CC1 ZINC000305850220 333001077 /nfs/dbraw/zinc/00/10/77/333001077.db2.gz JJWPDYUGTMRKCW-KBPBESRZSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]([C@H](C)O)C2)CC1 ZINC000305850220 333001079 /nfs/dbraw/zinc/00/10/79/333001079.db2.gz JJWPDYUGTMRKCW-KBPBESRZSA-N 2 2 279.384 -0.534 20 30 CBEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)CC ZINC000104193629 582113256 /nfs/dbraw/zinc/11/32/56/582113256.db2.gz DHWWPHLIEFHGGC-NSHDSACASA-N 2 2 290.433 -0.190 20 30 CBEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)CC ZINC000104193629 582113257 /nfs/dbraw/zinc/11/32/57/582113257.db2.gz DHWWPHLIEFHGGC-NSHDSACASA-N 2 2 290.433 -0.190 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000730286005 582150120 /nfs/dbraw/zinc/15/01/20/582150120.db2.gz AANMKLMHUAWIQF-GJZGRUSLSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000730286005 582150121 /nfs/dbraw/zinc/15/01/21/582150121.db2.gz AANMKLMHUAWIQF-GJZGRUSLSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000730841909 582151514 /nfs/dbraw/zinc/15/15/14/582151514.db2.gz QXDGIZPDBZMLAE-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000730841909 582151515 /nfs/dbraw/zinc/15/15/15/582151515.db2.gz QXDGIZPDBZMLAE-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000730841909 582151517 /nfs/dbraw/zinc/15/15/17/582151517.db2.gz QXDGIZPDBZMLAE-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000730841909 582151518 /nfs/dbraw/zinc/15/15/18/582151518.db2.gz QXDGIZPDBZMLAE-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000731843680 582154485 /nfs/dbraw/zinc/15/44/85/582154485.db2.gz WHAWLHUGQXJOMC-OAHLLOKOSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000731843680 582154486 /nfs/dbraw/zinc/15/44/86/582154486.db2.gz WHAWLHUGQXJOMC-OAHLLOKOSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000732149429 582156891 /nfs/dbraw/zinc/15/68/91/582156891.db2.gz ISTFMQFEUNBHDM-KBPBESRZSA-N 2 2 278.400 -0.554 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000732149429 582156893 /nfs/dbraw/zinc/15/68/93/582156893.db2.gz ISTFMQFEUNBHDM-KBPBESRZSA-N 2 2 278.400 -0.554 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000732149429 582156894 /nfs/dbraw/zinc/15/68/94/582156894.db2.gz ISTFMQFEUNBHDM-KBPBESRZSA-N 2 2 278.400 -0.554 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000732149429 582156896 /nfs/dbraw/zinc/15/68/96/582156896.db2.gz ISTFMQFEUNBHDM-KBPBESRZSA-N 2 2 278.400 -0.554 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2(COC)CC2)CC1 ZINC000761102246 582314527 /nfs/dbraw/zinc/31/45/27/582314527.db2.gz ONQVQWNJGAWUIX-UHFFFAOYSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2(COC)CC2)CC1 ZINC000761102246 582314528 /nfs/dbraw/zinc/31/45/28/582314528.db2.gz ONQVQWNJGAWUIX-UHFFFAOYSA-N 2 2 279.384 -0.125 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000764226974 582322635 /nfs/dbraw/zinc/32/26/35/582322635.db2.gz BYVYYCSFHLRWQD-UHFFFAOYSA-N 2 2 296.415 -0.225 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000764226974 582322636 /nfs/dbraw/zinc/32/26/36/582322636.db2.gz BYVYYCSFHLRWQD-UHFFFAOYSA-N 2 2 296.415 -0.225 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000764287693 582322971 /nfs/dbraw/zinc/32/29/71/582322971.db2.gz 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582936052 /nfs/dbraw/zinc/93/60/52/582936052.db2.gz LNXYAKBEMZOORT-ZDUSSCGKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C=CCN(CC(=O)OCC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846676929 583382533 /nfs/dbraw/zinc/38/25/33/583382533.db2.gz LLVIXFOVFQUHDG-NSHDSACASA-N 2 2 271.361 -0.157 20 30 CBEDLP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846676758 583382694 /nfs/dbraw/zinc/38/26/94/583382694.db2.gz GKXNZMMXWIPROH-JQWIXIFHSA-N 2 2 273.340 -0.010 20 30 CBEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)CCOC)[C@H]1CCCO1 ZINC000846860243 583389766 /nfs/dbraw/zinc/38/97/66/583389766.db2.gz JFQHHPRHBCNRKE-MELADBBJSA-N 2 2 270.373 -0.304 20 30 CBEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@H+](C)CCOC)[C@H]1CCCO1 ZINC000846860243 583389770 /nfs/dbraw/zinc/38/97/70/583389770.db2.gz JFQHHPRHBCNRKE-MELADBBJSA-N 2 2 270.373 -0.304 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@]3(C)C2)CC1 ZINC000852535394 583548253 /nfs/dbraw/zinc/54/82/53/583548253.db2.gz ZSFKOPVCYQOVIS-ZBFHGGJFSA-N 2 2 291.395 -0.268 20 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ZINC001027351105 799043136 /nfs/dbraw/zinc/04/31/36/799043136.db2.gz QIDYGKKAXRFPNV-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001028600677 799153062 /nfs/dbraw/zinc/15/30/62/799153062.db2.gz BMOKVWQHZBXQBD-STQMWFEESA-N 2 2 292.383 -0.993 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001028600677 799153065 /nfs/dbraw/zinc/15/30/65/799153065.db2.gz BMOKVWQHZBXQBD-STQMWFEESA-N 2 2 292.383 -0.993 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028600677 799153067 /nfs/dbraw/zinc/15/30/67/799153067.db2.gz BMOKVWQHZBXQBD-STQMWFEESA-N 2 2 292.383 -0.993 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001028600677 799153070 /nfs/dbraw/zinc/15/30/70/799153070.db2.gz BMOKVWQHZBXQBD-STQMWFEESA-N 2 2 292.383 -0.993 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030838826 799393340 /nfs/dbraw/zinc/39/33/40/799393340.db2.gz 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C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032976757 799698237 /nfs/dbraw/zinc/69/82/37/799698237.db2.gz QMVJLLIEPOMEBO-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032976757 799698245 /nfs/dbraw/zinc/69/82/45/799698245.db2.gz QMVJLLIEPOMEBO-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001035677101 799957510 /nfs/dbraw/zinc/95/75/10/799957510.db2.gz UTMHHFIAIYPVPX-AWEZNQCLSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001035677101 799957516 /nfs/dbraw/zinc/95/75/16/799957516.db2.gz UTMHHFIAIYPVPX-AWEZNQCLSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041169785 801372994 /nfs/dbraw/zinc/37/29/94/801372994.db2.gz KXHHMDGJYLEAIG-HOCLYGCPSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041169785 801373001 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CBEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218516 801741921 /nfs/dbraw/zinc/74/19/21/801741921.db2.gz JZLMHBMUEILPQN-ZFWWWQNUSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218516 801741925 /nfs/dbraw/zinc/74/19/25/801741925.db2.gz JZLMHBMUEILPQN-ZFWWWQNUSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046848684 801798706 /nfs/dbraw/zinc/79/87/06/801798706.db2.gz AWLWGAYGZLKQJF-ZFWWWQNUSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046848684 801798712 /nfs/dbraw/zinc/79/87/12/801798712.db2.gz AWLWGAYGZLKQJF-ZFWWWQNUSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046848684 801798717 /nfs/dbraw/zinc/79/87/17/801798717.db2.gz AWLWGAYGZLKQJF-ZFWWWQNUSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046848684 801798722 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BNIVMSJIPLMDFQ-RDBSUJKOSA-N 2 2 279.384 -0.393 20 30 CBEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047323926 801833696 /nfs/dbraw/zinc/83/36/96/801833696.db2.gz BNIVMSJIPLMDFQ-RDBSUJKOSA-N 2 2 279.384 -0.393 20 30 CBEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047323926 801833700 /nfs/dbraw/zinc/83/37/00/801833700.db2.gz BNIVMSJIPLMDFQ-RDBSUJKOSA-N 2 2 279.384 -0.393 20 30 CBEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047323926 801833712 /nfs/dbraw/zinc/83/37/12/801833712.db2.gz BNIVMSJIPLMDFQ-RDBSUJKOSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001047401297 801864211 /nfs/dbraw/zinc/86/42/11/801864211.db2.gz LDTCLGWUSKLABA-ILXRZTDVSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001047401297 801864216 /nfs/dbraw/zinc/86/42/16/801864216.db2.gz LDTCLGWUSKLABA-ILXRZTDVSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001047401297 801864221 /nfs/dbraw/zinc/86/42/21/801864221.db2.gz LDTCLGWUSKLABA-ILXRZTDVSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001047401297 801864227 /nfs/dbraw/zinc/86/42/27/801864227.db2.gz LDTCLGWUSKLABA-ILXRZTDVSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001047527997 801896322 /nfs/dbraw/zinc/89/63/22/801896322.db2.gz LFCPUBGFOCSQRS-IHRRRGAJSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001047527997 801896329 /nfs/dbraw/zinc/89/63/29/801896329.db2.gz LFCPUBGFOCSQRS-IHRRRGAJSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001047527997 801896351 /nfs/dbraw/zinc/89/63/51/801896351.db2.gz LFCPUBGFOCSQRS-IHRRRGAJSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047628880 801912976 /nfs/dbraw/zinc/91/29/76/801912976.db2.gz MZUOFSLIZCVJRG-STQMWFEESA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047628880 801912980 /nfs/dbraw/zinc/91/29/80/801912980.db2.gz MZUOFSLIZCVJRG-STQMWFEESA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001047638581 801914093 /nfs/dbraw/zinc/91/40/93/801914093.db2.gz ZGIZWIAWADEPEN-ILXRZTDVSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001047638581 801914095 /nfs/dbraw/zinc/91/40/95/801914095.db2.gz ZGIZWIAWADEPEN-ILXRZTDVSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001047638581 801914097 /nfs/dbraw/zinc/91/40/97/801914097.db2.gz ZGIZWIAWADEPEN-ILXRZTDVSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001047638581 801914099 /nfs/dbraw/zinc/91/40/99/801914099.db2.gz ZGIZWIAWADEPEN-ILXRZTDVSA-N 2 2 293.411 -0.003 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646221 801918512 /nfs/dbraw/zinc/91/85/12/801918512.db2.gz CPMGNOBJZCNTBB-STQMWFEESA-N 2 2 278.356 -0.037 20 30 CBEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646221 801918517 /nfs/dbraw/zinc/91/85/17/801918517.db2.gz CPMGNOBJZCNTBB-STQMWFEESA-N 2 2 278.356 -0.037 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001121932624 813092177 /nfs/dbraw/zinc/09/21/77/813092177.db2.gz YIAFZNGBPRUWGR-HOSYDEDBSA-N 2 2 259.313 -0.327 20 30 CBEDLP COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001323349531 804013589 /nfs/dbraw/zinc/01/35/89/804013589.db2.gz AGKSBXANBOMFAQ-KBPBESRZSA-N 2 2 279.384 -0.222 20 30 CBEDLP COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001323349531 804013599 /nfs/dbraw/zinc/01/35/99/804013599.db2.gz AGKSBXANBOMFAQ-KBPBESRZSA-N 2 2 279.384 -0.222 20 30 CBEDLP COCC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001323349531 804013609 /nfs/dbraw/zinc/01/36/09/804013609.db2.gz AGKSBXANBOMFAQ-KBPBESRZSA-N 2 2 279.384 -0.222 20 30 CBEDLP COCC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001323349531 804013615 /nfs/dbraw/zinc/01/36/15/804013615.db2.gz AGKSBXANBOMFAQ-KBPBESRZSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150598172 815036987 /nfs/dbraw/zinc/03/69/87/815036987.db2.gz XVQSYCMYNTWEPU-AWEZNQCLSA-N 2 2 290.367 -0.197 20 30 CBEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150598172 815036994 /nfs/dbraw/zinc/03/69/94/815036994.db2.gz XVQSYCMYNTWEPU-AWEZNQCLSA-N 2 2 290.367 -0.197 20 30 CBEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001074581628 805459186 /nfs/dbraw/zinc/45/91/86/805459186.db2.gz HPQJLGCKJQUGLP-AVGNSLFASA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001074581628 805459190 /nfs/dbraw/zinc/45/91/90/805459190.db2.gz HPQJLGCKJQUGLP-AVGNSLFASA-N 2 2 265.357 -0.471 20 30 CBEDLP C=CC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151813972 815095160 /nfs/dbraw/zinc/09/51/60/815095160.db2.gz CQILJRJOFBYGAX-ZDUSSCGKSA-N 2 2 267.373 -0.011 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506021 810338817 /nfs/dbraw/zinc/33/88/17/810338817.db2.gz DZQUOHVMMRLHTB-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506021 810338825 /nfs/dbraw/zinc/33/88/25/810338825.db2.gz DZQUOHVMMRLHTB-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088506021 810338830 /nfs/dbraw/zinc/33/88/30/810338830.db2.gz DZQUOHVMMRLHTB-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088506021 810338838 /nfs/dbraw/zinc/33/88/38/810338838.db2.gz DZQUOHVMMRLHTB-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728473 810556880 /nfs/dbraw/zinc/55/68/80/810556880.db2.gz SNSWPUSLCWMTNN-KBPBESRZSA-N 2 2 290.367 -0.463 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728473 810556883 /nfs/dbraw/zinc/55/68/83/810556883.db2.gz SNSWPUSLCWMTNN-KBPBESRZSA-N 2 2 290.367 -0.463 20 30 CBEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090762929 810561833 /nfs/dbraw/zinc/56/18/33/810561833.db2.gz COMWCPYHISQQGR-DGCLKSJQSA-N 2 2 278.356 -0.002 20 30 CBEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090762929 810561840 /nfs/dbraw/zinc/56/18/40/810561840.db2.gz COMWCPYHISQQGR-DGCLKSJQSA-N 2 2 278.356 -0.002 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090813059 810568707 /nfs/dbraw/zinc/56/87/07/810568707.db2.gz LBIKRCOCFMRMSL-STQMWFEESA-N 2 2 276.340 -0.624 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001090813059 810568714 /nfs/dbraw/zinc/56/87/14/810568714.db2.gz LBIKRCOCFMRMSL-STQMWFEESA-N 2 2 276.340 -0.624 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100139586 811029487 /nfs/dbraw/zinc/02/94/87/811029487.db2.gz UDJLHXSCHFFKBY-KGLIPLIRSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100139586 811029494 /nfs/dbraw/zinc/02/94/94/811029494.db2.gz UDJLHXSCHFFKBY-KGLIPLIRSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CCNC(=O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157257569 815416273 /nfs/dbraw/zinc/41/62/73/815416273.db2.gz UOUQBODBGUFLKC-UHFFFAOYSA-N 2 2 291.355 -0.812 20 30 CBEDLP N#C[C@@H]1CNCCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001157982790 815494078 /nfs/dbraw/zinc/49/40/78/815494078.db2.gz RBKASWOMKYLLNK-CHWSQXEVSA-N 2 2 273.340 -0.417 20 30 CBEDLP C=C1C[NH2+][C@](C)(C(=O)N2CC[NH2+]C[C@H]2C(=O)OCC)C1 ZINC001157999514 815496931 /nfs/dbraw/zinc/49/69/31/815496931.db2.gz SFRPJZLLNANBIH-FZMZJTMJSA-N 2 2 281.356 -0.342 20 30 CBEDLP Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cnc1C#N ZINC001158206716 815514036 /nfs/dbraw/zinc/51/40/36/815514036.db2.gz YKNSWUSDALLXRL-SECBINFHSA-N 2 2 258.285 -0.296 20 30 CBEDLP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001116177193 812228232 /nfs/dbraw/zinc/22/82/32/812228232.db2.gz YTOVTBWSZZPUKS-NSHDSACASA-N 2 2 266.345 -0.579 20 30 CBEDLP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001116177193 812228240 /nfs/dbraw/zinc/22/82/40/812228240.db2.gz YTOVTBWSZZPUKS-NSHDSACASA-N 2 2 266.345 -0.579 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC[NH3+])CC(F)(F)F ZINC001119304129 812748618 /nfs/dbraw/zinc/74/86/18/812748618.db2.gz GYUJCGYKARTVBB-QMMMGPOBSA-N 2 2 297.277 -0.217 20 30 CBEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125215047 813533539 /nfs/dbraw/zinc/53/35/39/813533539.db2.gz ZYTBYRVRRWOSLJ-JTQLQIEISA-N 2 2 261.753 -0.225 20 30 CBEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125215047 813533546 /nfs/dbraw/zinc/53/35/46/813533546.db2.gz ZYTBYRVRRWOSLJ-JTQLQIEISA-N 2 2 261.753 -0.225 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082351 814099223 /nfs/dbraw/zinc/09/92/23/814099223.db2.gz LXOSLBKFFOBJJD-LBPRGKRZSA-N 2 2 291.355 -0.883 20 30 CBEDLP C=CC[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133251790 814233124 /nfs/dbraw/zinc/23/31/24/814233124.db2.gz BOINPIABNFAFPE-LBPRGKRZSA-N 2 2 279.344 -0.651 20 30 CBEDLP C=CC[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133251790 814233130 /nfs/dbraw/zinc/23/31/30/814233130.db2.gz BOINPIABNFAFPE-LBPRGKRZSA-N 2 2 279.344 -0.651 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001136672338 814568569 /nfs/dbraw/zinc/56/85/69/814568569.db2.gz KELUADQRIBLDCQ-LLVKDONJSA-N 2 2 268.361 -0.830 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001136672338 814568576 /nfs/dbraw/zinc/56/85/76/814568576.db2.gz KELUADQRIBLDCQ-LLVKDONJSA-N 2 2 268.361 -0.830 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)C[NH3+])CC1 ZINC001160432081 815621275 /nfs/dbraw/zinc/62/12/75/815621275.db2.gz NSXSEGKECAMJGD-LBPRGKRZSA-N 2 2 280.372 -0.734 20 30 CBEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001316605161 816868154 /nfs/dbraw/zinc/86/81/54/816868154.db2.gz WNIQNCBWTFXVSL-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001316605161 816868161 /nfs/dbraw/zinc/86/81/61/816868161.db2.gz WNIQNCBWTFXVSL-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP CC[C@H](C(=O)N(C)CC[NH+]1CCN(CC#N)CC1)[NH+](C)C ZINC001317824053 817051549 /nfs/dbraw/zinc/05/15/49/817051549.db2.gz JXPLTDUMFFNSDT-CQSZACIVSA-N 2 2 295.431 -0.074 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001318174151 817082225 /nfs/dbraw/zinc/08/22/25/817082225.db2.gz ZCGARXSNUGZCHV-UHFFFAOYSA-N 2 2 294.399 -0.568 20 30 CBEDLP COCC#CC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001320055755 817273540 /nfs/dbraw/zinc/27/35/40/817273540.db2.gz RTQZEALWZDGOGJ-UHFFFAOYSA-N 2 2 278.356 -0.008 20 30 CBEDLP COCC#CC[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001320055755 817273547 /nfs/dbraw/zinc/27/35/47/817273547.db2.gz RTQZEALWZDGOGJ-UHFFFAOYSA-N 2 2 278.356 -0.008 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320236363 817301376 /nfs/dbraw/zinc/30/13/76/817301376.db2.gz XTDFESUPAAHINF-GMTAPVOTSA-N 2 2 264.329 -0.234 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320236363 817301382 /nfs/dbraw/zinc/30/13/82/817301382.db2.gz XTDFESUPAAHINF-GMTAPVOTSA-N 2 2 264.329 -0.234 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001320303713 817319402 /nfs/dbraw/zinc/31/94/02/817319402.db2.gz NRQTVYQSZOHHHO-ZDUSSCGKSA-N 2 2 278.356 -0.557 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167350053 820084026 /nfs/dbraw/zinc/08/40/26/820084026.db2.gz PJZDPPLSPJEZPN-NSHDSACASA-N 2 2 291.355 -0.814 20 30 CBEDLP N#Cc1ncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC001169073184 820204603 /nfs/dbraw/zinc/20/46/03/820204603.db2.gz BWVZESSHXDVORH-MRVPVSSYSA-N 2 2 288.267 -0.091 20 30 CBEDLP N#Cc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001169072929 820205617 /nfs/dbraw/zinc/20/56/17/820205617.db2.gz UROWTGIHVATJKX-SECBINFHSA-N 2 2 288.267 -0.091 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177415189 820514505 /nfs/dbraw/zinc/51/45/05/820514505.db2.gz QDVJZJAWROLAMI-GFCCVEGCSA-N 2 2 293.371 -0.330 20 30 CBEDLP C=CCC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001283830540 828554936 /nfs/dbraw/zinc/55/49/36/828554936.db2.gz DRJLKPIOPUBDKY-NSHDSACASA-N 2 2 252.318 -0.474 20 30 CBEDLP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191785386 823925645 /nfs/dbraw/zinc/92/56/45/823925645.db2.gz QKARJGXVXPUTLX-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191785386 823925654 /nfs/dbraw/zinc/92/56/54/823925654.db2.gz QKARJGXVXPUTLX-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191785386 823925662 /nfs/dbraw/zinc/92/56/62/823925662.db2.gz QKARJGXVXPUTLX-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191785386 823925671 /nfs/dbraw/zinc/92/56/71/823925671.db2.gz QKARJGXVXPUTLX-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001284416018 828592455 /nfs/dbraw/zinc/59/24/55/828592455.db2.gz JTFJNOBTLXXOFK-LBPRGKRZSA-N 2 2 264.329 -0.616 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001284416018 828592456 /nfs/dbraw/zinc/59/24/56/828592456.db2.gz JTFJNOBTLXXOFK-LBPRGKRZSA-N 2 2 264.329 -0.616 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193792073 824046211 /nfs/dbraw/zinc/04/62/11/824046211.db2.gz WEYDXDANKXYWDE-MCIONIFRSA-N 2 2 279.384 -0.489 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193792073 824046221 /nfs/dbraw/zinc/04/62/21/824046221.db2.gz WEYDXDANKXYWDE-MCIONIFRSA-N 2 2 279.384 -0.489 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194236265 824064872 /nfs/dbraw/zinc/06/48/72/824064872.db2.gz ZWVYVFLGFGQJBP-VXGBXAGGSA-N 2 2 267.373 -0.489 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194236265 824064862 /nfs/dbraw/zinc/06/48/62/824064862.db2.gz ZWVYVFLGFGQJBP-VXGBXAGGSA-N 2 2 267.373 -0.489 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194236265 824064868 /nfs/dbraw/zinc/06/48/68/824064868.db2.gz ZWVYVFLGFGQJBP-VXGBXAGGSA-N 2 2 267.373 -0.489 20 30 CBEDLP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001284516737 828607167 /nfs/dbraw/zinc/60/71/67/828607167.db2.gz OCLVIBLBPCTBMA-GFCCVEGCSA-N 2 2 278.356 -0.355 20 30 CBEDLP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001284516737 828607171 /nfs/dbraw/zinc/60/71/71/828607171.db2.gz OCLVIBLBPCTBMA-GFCCVEGCSA-N 2 2 278.356 -0.355 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149446 824103966 /nfs/dbraw/zinc/10/39/66/824103966.db2.gz NODOBFGHDQELNL-CHWSQXEVSA-N 2 2 276.340 -0.542 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149446 824103970 /nfs/dbraw/zinc/10/39/70/824103970.db2.gz NODOBFGHDQELNL-CHWSQXEVSA-N 2 2 276.340 -0.542 20 30 CBEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001197058100 824176646 /nfs/dbraw/zinc/17/66/46/824176646.db2.gz ODTCTLUUYDDSIL-ZIAGYGMSSA-N 2 2 297.399 -0.861 20 30 CBEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001197058100 824176649 /nfs/dbraw/zinc/17/66/49/824176649.db2.gz ODTCTLUUYDDSIL-ZIAGYGMSSA-N 2 2 297.399 -0.861 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198687925 824235508 /nfs/dbraw/zinc/23/55/08/824235508.db2.gz BBJWWTVEKVBZNU-BFHYXJOUSA-N 2 2 297.399 -0.698 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198687925 824235514 /nfs/dbraw/zinc/23/55/14/824235514.db2.gz BBJWWTVEKVBZNU-BFHYXJOUSA-N 2 2 297.399 -0.698 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199119667 824249221 /nfs/dbraw/zinc/24/92/21/824249221.db2.gz PEVRSGBDJMVJJG-VXGBXAGGSA-N 2 2 253.346 -0.879 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199119667 824249226 /nfs/dbraw/zinc/24/92/26/824249226.db2.gz PEVRSGBDJMVJJG-VXGBXAGGSA-N 2 2 253.346 -0.879 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199119667 824249231 /nfs/dbraw/zinc/24/92/31/824249231.db2.gz PEVRSGBDJMVJJG-VXGBXAGGSA-N 2 2 253.346 -0.879 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199119667 824249238 /nfs/dbraw/zinc/24/92/38/824249238.db2.gz PEVRSGBDJMVJJG-VXGBXAGGSA-N 2 2 253.346 -0.879 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127500 824249682 /nfs/dbraw/zinc/24/96/82/824249682.db2.gz FTHXAVMCLAUFFW-RBSFLKMASA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127500 824249686 /nfs/dbraw/zinc/24/96/86/824249686.db2.gz FTHXAVMCLAUFFW-RBSFLKMASA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199398274 824265933 /nfs/dbraw/zinc/26/59/33/824265933.db2.gz MEHPBYUYILQRBW-ZIAGYGMSSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199398274 824265940 /nfs/dbraw/zinc/26/59/40/824265940.db2.gz MEHPBYUYILQRBW-ZIAGYGMSSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213578479 824513274 /nfs/dbraw/zinc/51/32/74/824513274.db2.gz QWLLMDQACBWNOM-ZIAGYGMSSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213578479 824513279 /nfs/dbraw/zinc/51/32/79/824513279.db2.gz QWLLMDQACBWNOM-ZIAGYGMSSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927358 824517944 /nfs/dbraw/zinc/51/79/44/824517944.db2.gz FFQNUASQKUUADJ-CHWSQXEVSA-N 2 2 267.373 -0.225 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213927358 824517946 /nfs/dbraw/zinc/51/79/46/824517946.db2.gz FFQNUASQKUUADJ-CHWSQXEVSA-N 2 2 267.373 -0.225 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927358 824517950 /nfs/dbraw/zinc/51/79/50/824517950.db2.gz FFQNUASQKUUADJ-CHWSQXEVSA-N 2 2 267.373 -0.225 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213927358 824517952 /nfs/dbraw/zinc/51/79/52/824517952.db2.gz FFQNUASQKUUADJ-CHWSQXEVSA-N 2 2 267.373 -0.225 20 30 CBEDLP N#Cc1cnc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218504504 824573826 /nfs/dbraw/zinc/57/38/26/824573826.db2.gz PIWKYCWIORLNDL-VIFPVBQESA-N 2 2 257.257 -0.420 20 30 CBEDLP C#Cc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)ccn1 ZINC001218519757 824580304 /nfs/dbraw/zinc/58/03/04/824580304.db2.gz DQAFHXQVVIPCNI-LBPRGKRZSA-N 2 2 255.281 -0.284 20 30 CBEDLP N#Cc1nc(N)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)nc1C#N ZINC001218594299 824602233 /nfs/dbraw/zinc/60/22/33/824602233.db2.gz CAXRYTCZXMXCFW-ZETCQYMHSA-N 2 2 297.282 -0.966 20 30 CBEDLP C#Cc1cnc(NC(=O)C2([NH3+])CC[NH2+]CC2)c(C#C)n1 ZINC001218657504 824618146 /nfs/dbraw/zinc/61/81/46/824618146.db2.gz LZBYFPXCTAUBKT-UHFFFAOYSA-N 2 2 269.308 -0.541 20 30 CBEDLP C#Cc1cnc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c(C#C)n1 ZINC001218657765 824618656 /nfs/dbraw/zinc/61/86/56/824618656.db2.gz SECYXKHASWWRJO-UHFFFAOYSA-N 2 2 283.335 -0.281 20 30 CBEDLP Cn1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(C#N)n1 ZINC001218667937 824619600 /nfs/dbraw/zinc/61/96/00/824619600.db2.gz MLWIZLOOXKVXHS-QMMMGPOBSA-N 2 2 259.273 -0.477 20 30 CBEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1nnccc1C#N ZINC001218701777 824624884 /nfs/dbraw/zinc/62/48/84/824624884.db2.gz MRYXJJGJPZPJLO-JTQLQIEISA-N 2 2 271.284 -0.410 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970956 824651318 /nfs/dbraw/zinc/65/13/18/824651318.db2.gz PQUDLTFYXAPZPB-UONOGXRCSA-N 2 2 295.383 -0.891 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970956 824651320 /nfs/dbraw/zinc/65/13/20/824651320.db2.gz PQUDLTFYXAPZPB-UONOGXRCSA-N 2 2 295.383 -0.891 20 30 CBEDLP N#Cc1cc(N)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1C#N ZINC001218986743 824651702 /nfs/dbraw/zinc/65/17/02/824651702.db2.gz CBZNMYPIFAHKQS-ONGXEEELSA-N 2 2 270.296 -0.503 20 30 CBEDLP O=C(/C=C/NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)C(F)(F)F ZINC001220343605 825019631 /nfs/dbraw/zinc/01/96/31/825019631.db2.gz UVZSRDHYGZMLEU-DCMFILABSA-N 2 2 277.246 -0.301 20 30 CBEDLP COC(=O)n1ncc(C#N)c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220415667 825035494 /nfs/dbraw/zinc/03/54/94/825035494.db2.gz SEPFCAXPVQUBBX-UHFFFAOYSA-N 2 2 292.299 -0.611 20 30 CBEDLP N#Cc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1F ZINC001220448894 825040682 /nfs/dbraw/zinc/04/06/82/825040682.db2.gz ATCPJLZTGVFHPA-JQWIXIFHSA-N 2 2 262.288 -0.140 20 30 CBEDLP CC(C)(S)CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220487530 825047824 /nfs/dbraw/zinc/04/78/24/825047824.db2.gz UZPWIQRBTPOAFQ-SNVBAGLBSA-N 2 2 274.434 -0.439 20 30 CBEDLP CCOC(=O)[C@H](C#N)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220499370 825050499 /nfs/dbraw/zinc/05/04/99/825050499.db2.gz XBGRWIQYTYSTNZ-NEPJUHHUSA-N 2 2 290.323 -0.170 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220552540 825060050 /nfs/dbraw/zinc/06/00/50/825060050.db2.gz YRKQJFYWXHRSCI-OLZOCXBDSA-N 2 2 283.372 -0.944 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220552540 825060060 /nfs/dbraw/zinc/06/00/60/825060060.db2.gz YRKQJFYWXHRSCI-OLZOCXBDSA-N 2 2 283.372 -0.944 20 30 CBEDLP C=C[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)OCC ZINC001220571297 825066621 /nfs/dbraw/zinc/06/66/21/825066621.db2.gz OCQXSPPQDQLFKD-MPXOCVNLSA-N 2 2 267.329 -0.700 20 30 CBEDLP CC(C)C[C@H](C#N)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220700176 825088265 /nfs/dbraw/zinc/08/82/65/825088265.db2.gz CHOZJLIQWAZAFQ-WHOHXGKFSA-N 2 2 250.346 -0.009 20 30 CBEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC001220868768 825117208 /nfs/dbraw/zinc/11/72/08/825117208.db2.gz SYQSRNLWVPMYTH-RYUDHWBXSA-N 2 2 253.346 -0.259 20 30 CBEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC001220868768 825117210 /nfs/dbraw/zinc/11/72/10/825117210.db2.gz SYQSRNLWVPMYTH-RYUDHWBXSA-N 2 2 253.346 -0.259 20 30 CBEDLP N#Cc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)cn1 ZINC001221089340 825143843 /nfs/dbraw/zinc/14/38/43/825143843.db2.gz OLFLUHGNDNMJDG-RISCZKNCSA-N 2 2 271.324 -0.479 20 30 CBEDLP N#Cc1ccc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001221089956 825144204 /nfs/dbraw/zinc/14/42/04/825144204.db2.gz YILGDXPHHFTWNP-GFCCVEGCSA-N 2 2 270.296 -0.137 20 30 CBEDLP C=CC[C@@](C)(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)OC ZINC001221381665 825180396 /nfs/dbraw/zinc/18/03/96/825180396.db2.gz HHGGCVLTALDPEI-ZWNOBZJWSA-N 2 2 280.328 -0.097 20 30 CBEDLP C=CCCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239439791 825604218 /nfs/dbraw/zinc/60/42/18/825604218.db2.gz XZGPPPZCBJMVIU-UHFFFAOYSA-N 2 2 285.461 -0.479 20 30 CBEDLP COC(=O)[C@@H]1C[C@@H](NC2(C#N)CC[NH+](C)CC2)C[NH2+]1 ZINC001246442261 825672498 /nfs/dbraw/zinc/67/24/98/825672498.db2.gz ITALMCCFECVDRP-MNOVXSKESA-N 2 2 266.345 -0.533 20 30 CBEDLP C#CCOC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001251844416 825794297 /nfs/dbraw/zinc/79/42/97/825794297.db2.gz RIPNTSNYIPGHFX-SOUVJXGZSA-N 2 2 282.384 -0.350 20 30 CBEDLP C#CCOC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001251844416 825794301 /nfs/dbraw/zinc/79/43/01/825794301.db2.gz RIPNTSNYIPGHFX-SOUVJXGZSA-N 2 2 282.384 -0.350 20 30 CBEDLP C#CCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001251844416 825794303 /nfs/dbraw/zinc/79/43/03/825794303.db2.gz RIPNTSNYIPGHFX-SOUVJXGZSA-N 2 2 282.384 -0.350 20 30 CBEDLP C#CCOC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001251844416 825794306 /nfs/dbraw/zinc/79/43/06/825794306.db2.gz RIPNTSNYIPGHFX-SOUVJXGZSA-N 2 2 282.384 -0.350 20 30 CBEDLP C=C[C@@](C)(O)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001252555167 825875402 /nfs/dbraw/zinc/87/54/02/825875402.db2.gz PWOACVCWHFGHLU-OAHLLOKOSA-N 2 2 283.416 -0.127 20 30 CBEDLP NC(=O)C[N@@H+]1CCC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC001261643919 826554734 /nfs/dbraw/zinc/55/47/34/826554734.db2.gz KJAZFUVPAJUXQQ-ZDUSSCGKSA-N 2 2 292.383 -0.945 20 30 CBEDLP NC(=O)C[N@H+]1CCC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC001261643919 826554741 /nfs/dbraw/zinc/55/47/41/826554741.db2.gz KJAZFUVPAJUXQQ-ZDUSSCGKSA-N 2 2 292.383 -0.945 20 30 CBEDLP COCC#CC[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265075808 826847432 /nfs/dbraw/zinc/84/74/32/826847432.db2.gz IDZAHXRPEWPEBA-UHFFFAOYSA-N 2 2 278.356 -0.029 20 30 CBEDLP COCC#CC[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265075808 826847446 /nfs/dbraw/zinc/84/74/46/826847446.db2.gz IDZAHXRPEWPEBA-UHFFFAOYSA-N 2 2 278.356 -0.029 20 30 CBEDLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)NCC#N ZINC001265781405 826917730 /nfs/dbraw/zinc/91/77/30/826917730.db2.gz FOOCJJVVXVDVIM-SNVBAGLBSA-N 2 2 292.343 -0.924 20 30 CBEDLP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001266281734 826970418 /nfs/dbraw/zinc/97/04/18/826970418.db2.gz YROCTTLONMFDFA-AWEZNQCLSA-N 2 2 278.400 -0.552 20 30 CBEDLP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001266281734 826970420 /nfs/dbraw/zinc/97/04/20/826970420.db2.gz YROCTTLONMFDFA-AWEZNQCLSA-N 2 2 278.400 -0.552 20 30 CBEDLP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001268085690 827254736 /nfs/dbraw/zinc/25/47/36/827254736.db2.gz OAFOSJMLRXQUNT-NSHDSACASA-N 2 2 291.355 -0.862 20 30 CBEDLP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001268328494 827303657 /nfs/dbraw/zinc/30/36/57/827303657.db2.gz NIJFRJVMNSHLSK-CYBMUJFWSA-N 2 2 280.372 -0.005 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268329644 827305421 /nfs/dbraw/zinc/30/54/21/827305421.db2.gz WXNJGVWABWQJDO-CMPLNLGQSA-N 2 2 266.345 -0.159 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268329644 827305433 /nfs/dbraw/zinc/30/54/33/827305433.db2.gz WXNJGVWABWQJDO-CMPLNLGQSA-N 2 2 266.345 -0.159 20 30 CBEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001269193500 827474005 /nfs/dbraw/zinc/47/40/05/827474005.db2.gz MBWYGBDOEPWMNW-CQSZACIVSA-N 2 2 279.384 -0.078 20 30 CBEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001269193500 827474010 /nfs/dbraw/zinc/47/40/10/827474010.db2.gz MBWYGBDOEPWMNW-CQSZACIVSA-N 2 2 279.384 -0.078 20 30 CBEDLP C=CCNC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001269512349 827515525 /nfs/dbraw/zinc/51/55/25/827515525.db2.gz COSNELHUBBFKFK-UHFFFAOYSA-N 2 2 291.355 -0.507 20 30 CBEDLP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001271159641 827670169 /nfs/dbraw/zinc/67/01/69/827670169.db2.gz LAAKJHDKIBYEDU-HOCLYGCPSA-N 2 2 289.379 -0.730 20 30 CBEDLP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001271159641 827670174 /nfs/dbraw/zinc/67/01/74/827670174.db2.gz LAAKJHDKIBYEDU-HOCLYGCPSA-N 2 2 289.379 -0.730 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC#C)C1 ZINC001271159641 827670176 /nfs/dbraw/zinc/67/01/76/827670176.db2.gz LAAKJHDKIBYEDU-HOCLYGCPSA-N 2 2 289.379 -0.730 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC#C)C1 ZINC001271159641 827670180 /nfs/dbraw/zinc/67/01/80/827670180.db2.gz LAAKJHDKIBYEDU-HOCLYGCPSA-N 2 2 289.379 -0.730 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001272451019 827799761 /nfs/dbraw/zinc/79/97/61/827799761.db2.gz DKVZCHKXFDSSKT-NWDGAFQWSA-N 2 2 278.356 -0.302 20 30 CBEDLP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001273212905 827873714 /nfs/dbraw/zinc/87/37/14/827873714.db2.gz VPXQTKFFVKCXRQ-NSHDSACASA-N 2 2 292.343 -0.993 20 30 CBEDLP C=C[C@](C)(O)C[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274615910 828012147 /nfs/dbraw/zinc/01/21/47/828012147.db2.gz GBOSAHRJXQYFNM-AWEZNQCLSA-N 2 2 297.399 -0.602 20 30 CBEDLP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001275800802 828116046 /nfs/dbraw/zinc/11/60/46/828116046.db2.gz LFSAETMGXWHXBF-UONOGXRCSA-N 2 2 297.399 -0.597 20 30 CBEDLP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001275800802 828116051 /nfs/dbraw/zinc/11/60/51/828116051.db2.gz LFSAETMGXWHXBF-UONOGXRCSA-N 2 2 297.399 -0.597 20 30 CBEDLP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275800802 828116056 /nfs/dbraw/zinc/11/60/56/828116056.db2.gz LFSAETMGXWHXBF-UONOGXRCSA-N 2 2 297.399 -0.597 20 30 CBEDLP COCC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275800802 828116058 /nfs/dbraw/zinc/11/60/58/828116058.db2.gz LFSAETMGXWHXBF-UONOGXRCSA-N 2 2 297.399 -0.597 20 30 CBEDLP COCC#CC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001277183920 828178573 /nfs/dbraw/zinc/17/85/73/828178573.db2.gz XFZKODQPDQFNRQ-UHFFFAOYSA-N 2 2 276.340 -0.160 20 30 CBEDLP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001278104975 828247364 /nfs/dbraw/zinc/24/73/64/828247364.db2.gz CQTBIILXRHPJMU-VXGBXAGGSA-N 2 2 278.356 -0.302 20 30 CBEDLP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001278099553 828247683 /nfs/dbraw/zinc/24/76/83/828247683.db2.gz MKOOOSXNEMLZBO-HBNTYKKESA-N 2 2 264.329 -0.234 20 30 CBEDLP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001278099553 828247687 /nfs/dbraw/zinc/24/76/87/828247687.db2.gz MKOOOSXNEMLZBO-HBNTYKKESA-N 2 2 264.329 -0.234 20 30 CBEDLP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001278106376 828248661 /nfs/dbraw/zinc/24/86/61/828248661.db2.gz XYYCWIXGYHLPTL-STQMWFEESA-N 2 2 290.367 -0.465 20 30 CBEDLP C#CC[NH2+][C@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001278119740 828250375 /nfs/dbraw/zinc/25/03/75/828250375.db2.gz NRPULOBCKUOOKN-NSHDSACASA-N 2 2 264.329 -0.947 20 30 CBEDLP C#CC[NH2+][C@@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001278119739 828250750 /nfs/dbraw/zinc/25/07/50/828250750.db2.gz NRPULOBCKUOOKN-LLVKDONJSA-N 2 2 264.329 -0.947 20 30 CBEDLP CC#CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CCOC ZINC001279056112 828315806 /nfs/dbraw/zinc/31/58/06/828315806.db2.gz PELXOJCFXRPHPD-UHFFFAOYSA-N 2 2 278.356 -0.029 20 30 CBEDLP CC#CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)CCOC ZINC001279056112 828315814 /nfs/dbraw/zinc/31/58/14/828315814.db2.gz PELXOJCFXRPHPD-UHFFFAOYSA-N 2 2 278.356 -0.029 20 30 CBEDLP C#CCC[NH2+][C@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001331791966 886985894 /nfs/dbraw/zinc/98/58/94/886985894.db2.gz XUIBNBTYFFQMHX-OLZOCXBDSA-N 2 2 278.356 -0.076 20 30 CBEDLP C#C[C@@H]1COCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336192907 888716355 /nfs/dbraw/zinc/71/63/55/888716355.db2.gz ODKYXKXTFVZOQP-CYBMUJFWSA-N 2 2 280.372 -0.547 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601909 884644669 /nfs/dbraw/zinc/64/46/69/884644669.db2.gz WCRXYGNLQGTNAT-OLZOCXBDSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601909 884644673 /nfs/dbraw/zinc/64/46/73/884644673.db2.gz WCRXYGNLQGTNAT-OLZOCXBDSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#C[C@](C)([NH3+])C(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001219796327 884792724 /nfs/dbraw/zinc/79/27/24/884792724.db2.gz VUNDSLAKGVSJCT-HNNXBMFYSA-N 3 2 278.400 -0.330 20 30 CBEDLP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001326041954 884883982 /nfs/dbraw/zinc/88/39/82/884883982.db2.gz OUWGMDAXYNYWJR-CHWSQXEVSA-N 2 2 290.367 -0.053 20 30 CBEDLP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001326041954 884884000 /nfs/dbraw/zinc/88/40/00/884884000.db2.gz OUWGMDAXYNYWJR-CHWSQXEVSA-N 2 2 290.367 -0.053 20 30 CBEDLP C=CC[C@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001328454848 885693797 /nfs/dbraw/zinc/69/37/97/885693797.db2.gz KZSDJECBMYJSRR-SWLSCSKDSA-N 2 2 294.399 -0.249 20 30 CBEDLP C=CC[C@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001328454848 885693802 /nfs/dbraw/zinc/69/38/02/885693802.db2.gz KZSDJECBMYJSRR-SWLSCSKDSA-N 2 2 294.399 -0.249 20 30 CBEDLP C#CC[NH2+][C@@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001331741470 886949579 /nfs/dbraw/zinc/94/95/79/886949579.db2.gz UUSIWIXZIMMUJI-LLVKDONJSA-N 2 2 272.308 -0.124 20 30 CBEDLP C#CC[C@@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001332009628 887081621 /nfs/dbraw/zinc/08/16/21/887081621.db2.gz HYVAIKQCVWJVNS-INIZCTEOSA-N 2 2 295.427 -0.243 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001338503509 889168302 /nfs/dbraw/zinc/16/83/02/889168302.db2.gz BEGXCSPVUMSVED-CABCVRRESA-N 2 2 282.384 -0.424 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC001340939209 889516708 /nfs/dbraw/zinc/51/67/08/889516708.db2.gz CJHGBGWNRZIGBL-LBPRGKRZSA-N 2 2 253.346 -0.564 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC001340939209 889516721 /nfs/dbraw/zinc/51/67/21/889516721.db2.gz CJHGBGWNRZIGBL-LBPRGKRZSA-N 2 2 253.346 -0.564 20 30 CBEDLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001349822350 890901068 /nfs/dbraw/zinc/90/10/68/890901068.db2.gz HOMCZQZEOYNDTF-NEPJUHHUSA-N 2 2 296.371 -0.239 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001357366808 891875087 /nfs/dbraw/zinc/87/50/87/891875087.db2.gz JCSGCFYOUSYCMO-ZDUSSCGKSA-N 2 2 265.357 -0.468 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001367619132 895708257 /nfs/dbraw/zinc/70/82/57/895708257.db2.gz YRXWTRFXEROZOF-SNVBAGLBSA-N 2 2 272.736 -0.229 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC001455700279 914395784 /nfs/dbraw/zinc/39/57/84/914395784.db2.gz MLZQQDXCRUBJKV-UHFFFAOYSA-N 2 2 296.415 -0.273 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC001455700279 914395793 /nfs/dbraw/zinc/39/57/93/914395793.db2.gz MLZQQDXCRUBJKV-UHFFFAOYSA-N 2 2 296.415 -0.273 20 30 CBEDLP C[C@H]1C[N@H+](CCNC(=O)NCC#CC[NH+](C)C)CCO1 ZINC001468493120 915308414 /nfs/dbraw/zinc/30/84/14/915308414.db2.gz GETGQOKDBQPGMZ-ZDUSSCGKSA-N 2 2 282.388 -0.429 20 30 CBEDLP C[C@H]1C[N@@H+](CCNC(=O)NCC#CC[NH+](C)C)CCO1 ZINC001468493120 915308434 /nfs/dbraw/zinc/30/84/34/915308434.db2.gz GETGQOKDBQPGMZ-ZDUSSCGKSA-N 2 2 282.388 -0.429 20 30 CBEDLP C[C@@H]1C[N@H+](CCNC(=O)NCC#CC[NH+](C)C)CCO1 ZINC001468493119 915309655 /nfs/dbraw/zinc/30/96/55/915309655.db2.gz GETGQOKDBQPGMZ-CYBMUJFWSA-N 2 2 282.388 -0.429 20 30 CBEDLP C[C@@H]1C[N@@H+](CCNC(=O)NCC#CC[NH+](C)C)CCO1 ZINC001468493119 915309673 /nfs/dbraw/zinc/30/96/73/915309673.db2.gz GETGQOKDBQPGMZ-CYBMUJFWSA-N 2 2 282.388 -0.429 20 30 CBEDLP C[C@@H](NC(=O)NCC#CC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC001469310943 915397280 /nfs/dbraw/zinc/39/72/80/915397280.db2.gz AKRBNBXQPHAYMZ-OLZOCXBDSA-N 2 2 282.388 -0.430 20 30 CBEDLP C[C@@H](NC(=O)NCC#CC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC001469310943 915397300 /nfs/dbraw/zinc/39/73/00/915397300.db2.gz AKRBNBXQPHAYMZ-OLZOCXBDSA-N 2 2 282.388 -0.430 20 30 CBEDLP CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001507237306 921771397 /nfs/dbraw/zinc/77/13/97/921771397.db2.gz PWJHHFQRZSHXJM-CHWSQXEVSA-N 2 2 278.356 -0.076 20 30 CBEDLP C[C@@H](NC(=O)NCC#CC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC001477824024 916022499 /nfs/dbraw/zinc/02/24/99/916022499.db2.gz CASNAEDUFRGMFU-KGLIPLIRSA-N 2 2 296.415 -0.040 20 30 CBEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480865601 916597100 /nfs/dbraw/zinc/59/71/00/916597100.db2.gz KDPFWIIWDUNCPH-CHWSQXEVSA-N 2 2 294.399 -0.876 20 30 CBEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480865601 916597114 /nfs/dbraw/zinc/59/71/14/916597114.db2.gz KDPFWIIWDUNCPH-CHWSQXEVSA-N 2 2 294.399 -0.876 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480865601 916597127 /nfs/dbraw/zinc/59/71/27/916597127.db2.gz KDPFWIIWDUNCPH-CHWSQXEVSA-N 2 2 294.399 -0.876 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480865601 916597142 /nfs/dbraw/zinc/59/71/42/916597142.db2.gz KDPFWIIWDUNCPH-CHWSQXEVSA-N 2 2 294.399 -0.876 20 30 CBEDLP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001481467069 916843626 /nfs/dbraw/zinc/84/36/26/916843626.db2.gz XMIOPXBLSNWVQU-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001481467069 916843636 /nfs/dbraw/zinc/84/36/36/916843636.db2.gz XMIOPXBLSNWVQU-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001482153794 917067056 /nfs/dbraw/zinc/06/70/56/917067056.db2.gz BCLDHGCCRGAVPX-GFCCVEGCSA-N 2 2 278.356 -0.056 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001482585446 917167118 /nfs/dbraw/zinc/16/71/18/917167118.db2.gz TXQFXJXXIVGXMW-ZDUSSCGKSA-N 2 2 296.415 -0.227 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001482585446 917167126 /nfs/dbraw/zinc/16/71/26/917167126.db2.gz TXQFXJXXIVGXMW-ZDUSSCGKSA-N 2 2 296.415 -0.227 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482585446 917167142 /nfs/dbraw/zinc/16/71/42/917167142.db2.gz TXQFXJXXIVGXMW-ZDUSSCGKSA-N 2 2 296.415 -0.227 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001482585446 917167148 /nfs/dbraw/zinc/16/71/48/917167148.db2.gz TXQFXJXXIVGXMW-ZDUSSCGKSA-N 2 2 296.415 -0.227 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001482743829 917248053 /nfs/dbraw/zinc/24/80/53/917248053.db2.gz JYESIQMWYJKTGW-YPMHNXCESA-N 2 2 276.340 -0.855 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001482744041 917248153 /nfs/dbraw/zinc/24/81/53/917248153.db2.gz OPABSLLWIUSCKQ-YPMHNXCESA-N 2 2 278.356 -0.302 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482773084 917266436 /nfs/dbraw/zinc/26/64/36/917266436.db2.gz LVJBDRZIYXQUTK-NWDGAFQWSA-N 2 2 264.329 -0.466 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001484282607 917816488 /nfs/dbraw/zinc/81/64/88/917816488.db2.gz LLZGZCYJADGBFR-UHFFFAOYSA-N 2 2 291.395 -0.199 20 30 CBEDLP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485983915 918275304 /nfs/dbraw/zinc/27/53/04/918275304.db2.gz DNRNPOWGJBBAPV-WDEREUQCSA-N 2 2 291.779 -0.864 20 30 CBEDLP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485983915 918275321 /nfs/dbraw/zinc/27/53/21/918275321.db2.gz DNRNPOWGJBBAPV-WDEREUQCSA-N 2 2 291.779 -0.864 20 30 CBEDLP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486009895 918301920 /nfs/dbraw/zinc/30/19/20/918301920.db2.gz DTELELUSKDREBG-OLZOCXBDSA-N 2 2 290.367 -0.465 20 30 CBEDLP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001486012083 918306426 /nfs/dbraw/zinc/30/64/26/918306426.db2.gz ZUKPIERSLAJIAE-NEPJUHHUSA-N 2 2 278.356 -0.302 20 30 CBEDLP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001486012086 918308146 /nfs/dbraw/zinc/30/81/46/918308146.db2.gz ZUKPIERSLAJIAE-VXGBXAGGSA-N 2 2 278.356 -0.302 20 30 CBEDLP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486037816 918331594 /nfs/dbraw/zinc/33/15/94/918331594.db2.gz VBEADHIMEKSZTC-IJLUTSLNSA-N 2 2 276.340 -0.777 20 30 CBEDLP C#CC[NH2+][C@@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001486040290 918333082 /nfs/dbraw/zinc/33/30/82/918333082.db2.gz VFBWTKGOFNFHSA-NWDGAFQWSA-N 2 2 264.329 -0.466 20 30 CBEDLP C#CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001493357402 919530506 /nfs/dbraw/zinc/53/05/06/919530506.db2.gz GKQJYKMMOUGJHN-CYBMUJFWSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001493357402 919530523 /nfs/dbraw/zinc/53/05/23/919530523.db2.gz GKQJYKMMOUGJHN-CYBMUJFWSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001493357402 919530540 /nfs/dbraw/zinc/53/05/40/919530540.db2.gz GKQJYKMMOUGJHN-CYBMUJFWSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC001493357402 919530549 /nfs/dbraw/zinc/53/05/49/919530549.db2.gz GKQJYKMMOUGJHN-CYBMUJFWSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001493731507 919611838 /nfs/dbraw/zinc/61/18/38/919611838.db2.gz IOJOKLDSTGLZMW-UHFFFAOYSA-N 2 2 267.373 -0.222 20 30 CBEDLP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001498952754 920668111 /nfs/dbraw/zinc/66/81/11/920668111.db2.gz OSXXATABOCAFGD-ZIAGYGMSSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001498952754 920668117 /nfs/dbraw/zinc/66/81/17/920668117.db2.gz OSXXATABOCAFGD-ZIAGYGMSSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001498952754 920668125 /nfs/dbraw/zinc/66/81/25/920668125.db2.gz OSXXATABOCAFGD-ZIAGYGMSSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001498952754 920668136 /nfs/dbraw/zinc/66/81/36/920668136.db2.gz OSXXATABOCAFGD-ZIAGYGMSSA-N 2 2 297.399 -0.290 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001500850908 920905639 /nfs/dbraw/zinc/90/56/39/920905639.db2.gz KGENANSMBOWGBN-UHFFFAOYSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001500850908 920905656 /nfs/dbraw/zinc/90/56/56/920905656.db2.gz KGENANSMBOWGBN-UHFFFAOYSA-N 2 2 279.384 -0.343 20 30 CBEDLP CC#CC[NH2+]CCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001501504302 921033079 /nfs/dbraw/zinc/03/30/79/921033079.db2.gz WYQAQYSJBYQXHF-UHFFFAOYSA-N 2 2 264.329 -0.614 20 30 CBEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108886875 351797486 /nfs/dbraw/zinc/79/74/86/351797486.db2.gz NDMIZRVXNBWTGW-BETUJISGSA-N 2 2 275.356 -0.206 20 30 CBEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000108886875 351797487 /nfs/dbraw/zinc/79/74/87/351797487.db2.gz NDMIZRVXNBWTGW-BETUJISGSA-N 2 2 275.356 -0.206 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)CO)CC1 ZINC000305697682 352749807 /nfs/dbraw/zinc/74/98/07/352749807.db2.gz AQMYFGXEUDGQDS-LBPRGKRZSA-N 2 2 253.346 -0.924 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)CO)CC1 ZINC000305697682 352749808 /nfs/dbraw/zinc/74/98/08/352749808.db2.gz AQMYFGXEUDGQDS-LBPRGKRZSA-N 2 2 253.346 -0.924 20 30 CBEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000329355366 352789159 /nfs/dbraw/zinc/78/91/59/352789159.db2.gz GPJCTKXOSCBFHL-CHWSQXEVSA-N 2 2 283.420 -0.170 20 30 CBEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@H]2CCC[NH+]2C)C1 ZINC000329355366 352789162 /nfs/dbraw/zinc/78/91/62/352789162.db2.gz GPJCTKXOSCBFHL-CHWSQXEVSA-N 2 2 283.420 -0.170 20 30 CBEDLP CN1CC[NH+](C)[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000329355366 352789166 /nfs/dbraw/zinc/78/91/66/352789166.db2.gz GPJCTKXOSCBFHL-CHWSQXEVSA-N 2 2 283.420 -0.170 20 30 CBEDLP CN1CC[NH+](C)[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000329355366 352789169 /nfs/dbraw/zinc/78/91/69/352789169.db2.gz GPJCTKXOSCBFHL-CHWSQXEVSA-N 2 2 283.420 -0.170 20 30 CBEDLP C=CCOCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000338906585 353123994 /nfs/dbraw/zinc/12/39/94/353123994.db2.gz WMSJOGCDBUNCQY-UHFFFAOYSA-N 2 2 255.362 -0.105 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346826722 353393721 /nfs/dbraw/zinc/39/37/21/353393721.db2.gz MLHRPZVUVPVRQF-UHFFFAOYSA-N 2 2 254.378 -0.357 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357083131 353601765 /nfs/dbraw/zinc/60/17/65/353601765.db2.gz IRPQSJKHXNYMTK-SDDRHHMPSA-N 2 2 280.372 -0.072 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357083131 353601768 /nfs/dbraw/zinc/60/17/68/353601768.db2.gz IRPQSJKHXNYMTK-SDDRHHMPSA-N 2 2 280.372 -0.072 20 30 CBEDLP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000359207347 353652627 /nfs/dbraw/zinc/65/26/27/353652627.db2.gz NYXSCLQVMTWJEK-LBPRGKRZSA-N 2 2 278.356 -0.089 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH2+]C ZINC000420382459 354126535 /nfs/dbraw/zinc/12/65/35/354126535.db2.gz AMALCFMEQKZEOD-SNVBAGLBSA-N 2 2 256.350 -0.072 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCC[NH2+]C ZINC000420382459 354126538 /nfs/dbraw/zinc/12/65/38/354126538.db2.gz AMALCFMEQKZEOD-SNVBAGLBSA-N 2 2 256.350 -0.072 20 30 CBEDLP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424138824 354211197 /nfs/dbraw/zinc/21/11/97/354211197.db2.gz UYEBKASLEFDTPN-NWDGAFQWSA-N 2 2 268.361 -0.156 20 30 CBEDLP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000424170646 354213725 /nfs/dbraw/zinc/21/37/25/354213725.db2.gz IOGRJLQTAINSMM-CHWSQXEVSA-N 2 2 280.372 -0.013 20 30 CBEDLP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000424170646 354213728 /nfs/dbraw/zinc/21/37/28/354213728.db2.gz IOGRJLQTAINSMM-CHWSQXEVSA-N 2 2 280.372 -0.013 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430936810 354251709 /nfs/dbraw/zinc/25/17/09/354251709.db2.gz XCAXKELYBLDVLH-QWRGUYRKSA-N 2 2 268.361 -0.072 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430936810 354251712 /nfs/dbraw/zinc/25/17/12/354251712.db2.gz XCAXKELYBLDVLH-QWRGUYRKSA-N 2 2 268.361 -0.072 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430936811 354251759 /nfs/dbraw/zinc/25/17/59/354251759.db2.gz XCAXKELYBLDVLH-WDEREUQCSA-N 2 2 268.361 -0.072 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430936811 354251761 /nfs/dbraw/zinc/25/17/61/354251761.db2.gz XCAXKELYBLDVLH-WDEREUQCSA-N 2 2 268.361 -0.072 20 30 CBEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570675405 354866684 /nfs/dbraw/zinc/86/66/84/354866684.db2.gz KSZUBLVZKSJQEO-XQQFMLRXSA-N 2 2 282.388 -0.138 20 30 CBEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570675405 354866686 /nfs/dbraw/zinc/86/66/86/354866686.db2.gz KSZUBLVZKSJQEO-XQQFMLRXSA-N 2 2 282.388 -0.138 20 30 CBEDLP C[N@H+](CCC#N)C[C@H](O)CN[C@@H](CO)C[NH+]1CCCC1 ZINC000570966270 354874696 /nfs/dbraw/zinc/87/46/96/354874696.db2.gz RTGBYBYDEUUHTA-ZIAGYGMSSA-N 2 2 284.404 -0.761 20 30 CBEDLP C[N@@H+](CCC#N)C[C@H](O)CN[C@@H](CO)C[NH+]1CCCC1 ZINC000570966270 354874700 /nfs/dbraw/zinc/87/47/00/354874700.db2.gz RTGBYBYDEUUHTA-ZIAGYGMSSA-N 2 2 284.404 -0.761 20 30 CBEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)CCO1 ZINC000570453207 354861903 /nfs/dbraw/zinc/86/19/03/354861903.db2.gz PXVMHNBIKCDVOK-VXGBXAGGSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)CCO1 ZINC000570453207 354861907 /nfs/dbraw/zinc/86/19/07/354861907.db2.gz PXVMHNBIKCDVOK-VXGBXAGGSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)CCO1 ZINC000570453204 354862063 /nfs/dbraw/zinc/86/20/63/354862063.db2.gz PXVMHNBIKCDVOK-NEPJUHHUSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)CCO1 ZINC000570453204 354862064 /nfs/dbraw/zinc/86/20/64/354862064.db2.gz PXVMHNBIKCDVOK-NEPJUHHUSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000592153812 355134777 /nfs/dbraw/zinc/13/47/77/355134777.db2.gz PCRYUAHQKBOFFG-CHWSQXEVSA-N 2 2 253.346 -0.208 20 30 CBEDLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000592153812 355134780 /nfs/dbraw/zinc/13/47/80/355134780.db2.gz PCRYUAHQKBOFFG-CHWSQXEVSA-N 2 2 253.346 -0.208 20 30 CBEDLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000592153812 355134785 /nfs/dbraw/zinc/13/47/85/355134785.db2.gz PCRYUAHQKBOFFG-CHWSQXEVSA-N 2 2 253.346 -0.208 20 30 CBEDLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000592153812 355134787 /nfs/dbraw/zinc/13/47/87/355134787.db2.gz PCRYUAHQKBOFFG-CHWSQXEVSA-N 2 2 253.346 -0.208 20 30 CBEDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598591036 355445186 /nfs/dbraw/zinc/44/51/86/355445186.db2.gz YMBWOTCRNGNJSU-ZDUSSCGKSA-N 2 2 296.415 -0.007 20 30 CBEDLP CC[N@H+](CCO)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600741290 355563744 /nfs/dbraw/zinc/56/37/44/355563744.db2.gz DTBNEPRAMLVNLH-GFCCVEGCSA-N 2 2 255.362 -0.055 20 30 CBEDLP CC[N@@H+](CCO)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600741290 355563748 /nfs/dbraw/zinc/56/37/48/355563748.db2.gz DTBNEPRAMLVNLH-GFCCVEGCSA-N 2 2 255.362 -0.055 20 30 CBEDLP CC#CC[NH2+]Cc1cn(C[C@@H](O)C[NH+]2CCOCC2)nn1 ZINC000641208278 357679439 /nfs/dbraw/zinc/67/94/39/357679439.db2.gz PXCJWCQBVQRKPD-AWEZNQCLSA-N 2 2 293.371 -0.916 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000178786605 220222302 /nfs/dbraw/zinc/22/23/02/220222302.db2.gz LJZABNUKODMADC-HNNXBMFYSA-N 2 2 290.411 -0.552 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163824881 220218040 /nfs/dbraw/zinc/21/80/40/220218040.db2.gz AMFYCKIPZTUTBE-MNOVXSKESA-N 2 2 268.361 -0.085 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163824881 220218045 /nfs/dbraw/zinc/21/80/45/220218045.db2.gz AMFYCKIPZTUTBE-MNOVXSKESA-N 2 2 268.361 -0.085 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccn(C)n2)CC1 ZINC000491453241 373703940 /nfs/dbraw/zinc/70/39/40/373703940.db2.gz QHTYFWBZTAPCRG-ZDUSSCGKSA-N 2 2 289.383 -0.152 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](CO)C2)CC1 ZINC000491494139 373705799 /nfs/dbraw/zinc/70/57/99/373705799.db2.gz AVLOQURDGQBVEW-KGLIPLIRSA-N 2 2 279.384 -0.676 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](CO)C2)CC1 ZINC000491494139 373705806 /nfs/dbraw/zinc/70/58/06/373705806.db2.gz AVLOQURDGQBVEW-KGLIPLIRSA-N 2 2 279.384 -0.676 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261636991 220244405 /nfs/dbraw/zinc/24/44/05/220244405.db2.gz WOJHIRNBDUHQNR-QWRGUYRKSA-N 2 2 266.345 -0.318 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261636991 220244408 /nfs/dbraw/zinc/24/44/08/220244408.db2.gz WOJHIRNBDUHQNR-QWRGUYRKSA-N 2 2 266.345 -0.318 20 30 CBEDLP C[C@@H]1CN(C(=[NH2+])NCC[N@@H+]2CCCOCC2)CCO1 ZINC000262447630 220251886 /nfs/dbraw/zinc/25/18/86/220251886.db2.gz JDDHKTAURMNBPK-GFCCVEGCSA-N 2 2 270.377 -0.256 20 30 CBEDLP C[C@@H]1CN(C(=[NH2+])NCC[N@H+]2CCCOCC2)CCO1 ZINC000262447630 220251890 /nfs/dbraw/zinc/25/18/90/220251890.db2.gz JDDHKTAURMNBPK-GFCCVEGCSA-N 2 2 270.377 -0.256 20 30 CBEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(N)=O)cc1 ZINC000267013985 220268776 /nfs/dbraw/zinc/26/87/76/220268776.db2.gz NMYGSCFXKZBXBK-UHFFFAOYSA-N 2 2 250.302 -0.130 20 30 CBEDLP C[NH+]1CCO[C@H]2CN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC000329894516 220345708 /nfs/dbraw/zinc/34/57/08/220345708.db2.gz BIJAYGSMGJUPLT-AGIUHOORSA-N 2 2 298.387 -0.754 20 30 CBEDLP C[NH+]1CCO[C@H]2CN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC000329894516 220345711 /nfs/dbraw/zinc/34/57/11/220345711.db2.gz BIJAYGSMGJUPLT-AGIUHOORSA-N 2 2 298.387 -0.754 20 30 CBEDLP C[NH+]1CCO[C@H](CNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000329894516 220345714 /nfs/dbraw/zinc/34/57/14/220345714.db2.gz BIJAYGSMGJUPLT-AGIUHOORSA-N 2 2 298.387 -0.754 20 30 CBEDLP C[NH+]1CCO[C@H](CNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000329894516 220345718 /nfs/dbraw/zinc/34/57/18/220345718.db2.gz BIJAYGSMGJUPLT-AGIUHOORSA-N 2 2 298.387 -0.754 20 30 CBEDLP CC[N@H+](C)CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000330749590 220361635 /nfs/dbraw/zinc/36/16/35/220361635.db2.gz UKNQZDWBCMESHP-GFCCVEGCSA-N 2 2 271.409 -0.313 20 30 CBEDLP CC[N@@H+](C)CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000330749590 220361637 /nfs/dbraw/zinc/36/16/37/220361637.db2.gz UKNQZDWBCMESHP-GFCCVEGCSA-N 2 2 271.409 -0.313 20 30 CBEDLP CC[NH+](C)CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330749590 220361640 /nfs/dbraw/zinc/36/16/40/220361640.db2.gz UKNQZDWBCMESHP-GFCCVEGCSA-N 2 2 271.409 -0.313 20 30 CBEDLP CC[NH+](C)CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330749590 220361641 /nfs/dbraw/zinc/36/16/41/220361641.db2.gz UKNQZDWBCMESHP-GFCCVEGCSA-N 2 2 271.409 -0.313 20 30 CBEDLP C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000662165221 419555473 /nfs/dbraw/zinc/55/54/73/419555473.db2.gz AOWGWKNSYZTQST-NWDGAFQWSA-N 2 2 255.362 -0.325 20 30 CBEDLP C=CCN(CC=C)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286675 419578097 /nfs/dbraw/zinc/57/80/97/419578097.db2.gz WLFRBWAQAFQGRT-UHFFFAOYSA-N 2 2 267.373 -0.109 20 30 CBEDLP C=CCCOCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669545415 544753667 /nfs/dbraw/zinc/75/36/67/544753667.db2.gz HBVPGJHLSOOUCA-GFCCVEGCSA-N 2 2 270.377 -0.137 20 30 CBEDLP C=CCCOCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669545415 544753673 /nfs/dbraw/zinc/75/36/73/544753673.db2.gz HBVPGJHLSOOUCA-GFCCVEGCSA-N 2 2 270.377 -0.137 20 30 CBEDLP C(#CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000671240038 544805944 /nfs/dbraw/zinc/80/59/44/544805944.db2.gz BRWYUKHJAZWNSC-VGWMRTNUSA-N 3 2 274.412 -0.708 20 30 CBEDLP C(#CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000671240038 544805946 /nfs/dbraw/zinc/80/59/46/544805946.db2.gz BRWYUKHJAZWNSC-VGWMRTNUSA-N 4 2 274.412 -0.708 20 30 CBEDLP CC#CC[NH2+]Cc1cn(CCN2CC[NH+](C)CC2)nn1 ZINC000656437966 420309721 /nfs/dbraw/zinc/30/97/21/420309721.db2.gz RAYMVDKQOYVABD-UHFFFAOYSA-N 2 2 276.388 -0.362 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN(C)CC[NH+]2CCCC2)CC1 ZINC000089898337 260154698 /nfs/dbraw/zinc/15/46/98/260154698.db2.gz ATKSGKWXABIAQT-UHFFFAOYSA-N 2 2 292.427 -0.209 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000490899262 261241088 /nfs/dbraw/zinc/24/10/88/261241088.db2.gz NWCKZAXUNHULBX-GJZGRUSLSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000490899262 261241090 /nfs/dbraw/zinc/24/10/90/261241090.db2.gz NWCKZAXUNHULBX-GJZGRUSLSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000491045473 261308949 /nfs/dbraw/zinc/30/89/49/261308949.db2.gz LKSVTELIEAYABH-LBPRGKRZSA-N 2 2 275.356 -0.162 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000491072935 261319090 /nfs/dbraw/zinc/31/90/90/261319090.db2.gz WEFKSGZIHZTNOI-OAHLLOKOSA-N 2 2 293.411 -0.142 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000491072935 261319092 /nfs/dbraw/zinc/31/90/92/261319092.db2.gz WEFKSGZIHZTNOI-OAHLLOKOSA-N 2 2 293.411 -0.142 20 30 CBEDLP COCCNC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000267443693 277218483 /nfs/dbraw/zinc/21/84/83/277218483.db2.gz PQQXKLQPKCPWJP-UHFFFAOYSA-N 2 2 254.338 -0.463 20 30 CBEDLP C[NH+](CCNC[C@H](O)C[N@H+](C)CCC#N)C1CC1 ZINC000571198717 328091870 /nfs/dbraw/zinc/09/18/70/328091870.db2.gz WGOAGZGRUZLISV-ZDUSSCGKSA-N 2 2 254.378 -0.123 20 30 CBEDLP C[NH+](CCNC[C@H](O)C[N@@H+](C)CCC#N)C1CC1 ZINC000571198717 328091872 /nfs/dbraw/zinc/09/18/72/328091872.db2.gz WGOAGZGRUZLISV-ZDUSSCGKSA-N 2 2 254.378 -0.123 20 30 CBEDLP C[NH+](CCC#N)C[C@@H](O)CNCC[N@H+](C)C1CC1 ZINC000571198717 328091873 /nfs/dbraw/zinc/09/18/73/328091873.db2.gz WGOAGZGRUZLISV-ZDUSSCGKSA-N 2 2 254.378 -0.123 20 30 CBEDLP C[NH+](CCC#N)C[C@@H](O)CNCC[N@@H+](C)C1CC1 ZINC000571198717 328091875 /nfs/dbraw/zinc/09/18/75/328091875.db2.gz WGOAGZGRUZLISV-ZDUSSCGKSA-N 2 2 254.378 -0.123 20 30 CBEDLP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)C[NH+](C)C1CC1 ZINC000327952064 330259717 /nfs/dbraw/zinc/25/97/17/330259717.db2.gz AGGXVYPHCZWTSO-CQSZACIVSA-N 3 2 253.390 -0.014 20 30 CBEDLP C#CC[NH+](C)CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000327952064 330259719 /nfs/dbraw/zinc/25/97/19/330259719.db2.gz AGGXVYPHCZWTSO-CQSZACIVSA-N 3 2 253.390 -0.014 20 30 CBEDLP C#CC[NH+](C)CCC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000327952064 330259720 /nfs/dbraw/zinc/25/97/20/330259720.db2.gz AGGXVYPHCZWTSO-CQSZACIVSA-N 3 2 253.390 -0.014 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](COC)C2)CC1 ZINC000490739230 332110271 /nfs/dbraw/zinc/11/02/71/332110271.db2.gz CABMYEYYIOHAMP-AWEZNQCLSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](COC)C2)CC1 ZINC000490739230 332110272 /nfs/dbraw/zinc/11/02/72/332110272.db2.gz CABMYEYYIOHAMP-AWEZNQCLSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H](C)C(=O)OC)CC1 ZINC000490739808 332110584 /nfs/dbraw/zinc/11/05/84/332110584.db2.gz GYSWBNYNPXRDTM-CYBMUJFWSA-N 2 2 295.383 -0.495 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H](C)C(=O)OC)CC1 ZINC000490739808 332110585 /nfs/dbraw/zinc/11/05/85/332110585.db2.gz GYSWBNYNPXRDTM-CYBMUJFWSA-N 2 2 295.383 -0.495 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000490781188 332115574 /nfs/dbraw/zinc/11/55/74/332115574.db2.gz YCKMRMIMQPOSNC-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(=O)OC)C2)CC1 ZINC000490852112 332120714 /nfs/dbraw/zinc/12/07/14/332120714.db2.gz LMYGTHJXCCFKGT-CYBMUJFWSA-N 2 2 293.367 -0.741 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(=O)OC)C2)CC1 ZINC000490852112 332120716 /nfs/dbraw/zinc/12/07/16/332120716.db2.gz LMYGTHJXCCFKGT-CYBMUJFWSA-N 2 2 293.367 -0.741 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](OC)C2)CC1 ZINC000490890844 332124938 /nfs/dbraw/zinc/12/49/38/332124938.db2.gz ACPDTKFBRWGZOJ-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](OC)C2)CC1 ZINC000490890844 332124940 /nfs/dbraw/zinc/12/49/40/332124940.db2.gz ACPDTKFBRWGZOJ-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)CC1 ZINC000490892453 332125380 /nfs/dbraw/zinc/12/53/80/332125380.db2.gz LDOZJSYVCKXAMB-UONOGXRCSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)[C@@H](CC)C2)CC1 ZINC000490892453 332125381 /nfs/dbraw/zinc/12/53/81/332125381.db2.gz LDOZJSYVCKXAMB-UONOGXRCSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)CO)CC1 ZINC000490950808 332132321 /nfs/dbraw/zinc/13/23/21/332132321.db2.gz SOBWXYKNYJBGLI-HNNXBMFYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)CO)CC1 ZINC000490950808 332132322 /nfs/dbraw/zinc/13/23/22/332132322.db2.gz SOBWXYKNYJBGLI-HNNXBMFYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2(CO)CC2)CC1 ZINC000491071768 332144191 /nfs/dbraw/zinc/14/41/91/332144191.db2.gz NFLBEYITSJDSHS-UHFFFAOYSA-N 2 2 265.357 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2(CO)CC2)CC1 ZINC000491071768 332144192 /nfs/dbraw/zinc/14/41/92/332144192.db2.gz NFLBEYITSJDSHS-UHFFFAOYSA-N 2 2 265.357 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)CC2CC2)CC1 ZINC000491124999 332153322 /nfs/dbraw/zinc/15/33/22/332153322.db2.gz AJJRLBMFGHXRQJ-UHFFFAOYSA-N 2 2 279.384 -0.532 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCOCCOC)CC1 ZINC000491393329 332203294 /nfs/dbraw/zinc/20/32/94/332203294.db2.gz HCLWCHPWHHKFEJ-UHFFFAOYSA-N 2 2 297.399 -0.641 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCOCCOC)CC1 ZINC000491393329 332203296 /nfs/dbraw/zinc/20/32/96/332203296.db2.gz HCLWCHPWHHKFEJ-UHFFFAOYSA-N 2 2 297.399 -0.641 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000491404244 332205379 /nfs/dbraw/zinc/20/53/79/332205379.db2.gz AWDRNXITACVJLZ-UHFFFAOYSA-N 2 2 294.399 -0.732 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCOC2)CC1 ZINC000491407724 332206539 /nfs/dbraw/zinc/20/65/39/332206539.db2.gz SJIUXJUTBVKNFE-CYBMUJFWSA-N 2 2 265.357 -0.516 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCOC2)CC1 ZINC000491407724 332206540 /nfs/dbraw/zinc/20/65/40/332206540.db2.gz SJIUXJUTBVKNFE-CYBMUJFWSA-N 2 2 265.357 -0.516 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CO)[C@@H]2C)CC1 ZINC000491513971 332226497 /nfs/dbraw/zinc/22/64/97/332226497.db2.gz FOQBLAQJVCKIJK-LSDHHAIUSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CO)[C@@H]2C)CC1 ZINC000491513971 332226498 /nfs/dbraw/zinc/22/64/98/332226498.db2.gz FOQBLAQJVCKIJK-LSDHHAIUSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CCNC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000491657827 332268943 /nfs/dbraw/zinc/26/89/43/332268943.db2.gz KUOZNTMJYJJLHO-OAHLLOKOSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CCNC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000491657827 332268944 /nfs/dbraw/zinc/26/89/44/332268944.db2.gz KUOZNTMJYJJLHO-OAHLLOKOSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000491667970 332275882 /nfs/dbraw/zinc/27/58/82/332275882.db2.gz NQKDVXIHPGRHRL-UHFFFAOYSA-N 2 2 292.427 -0.161 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@]2(C)CO)CC1 ZINC000491668979 332276558 /nfs/dbraw/zinc/27/65/58/332276558.db2.gz WXEFLPHKPKDQTQ-GDBMZVCRSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000491704469 332297846 /nfs/dbraw/zinc/29/78/46/332297846.db2.gz BMTFGVBREJJCNN-UONOGXRCSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@@H]2CC)CC1 ZINC000491717984 332307065 /nfs/dbraw/zinc/30/70/65/332307065.db2.gz SJORRLBULYLPTD-CABCVRRESA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@@H]2CC)CC1 ZINC000491717984 332307067 /nfs/dbraw/zinc/30/70/67/332307067.db2.gz SJORRLBULYLPTD-CABCVRRESA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)[C@H]2C[C@@H]2C)CC1 ZINC000491738001 332317692 /nfs/dbraw/zinc/31/76/92/332317692.db2.gz MGBKLJWRQMYVRF-RYUDHWBXSA-N 2 2 278.356 -0.082 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)CC1 ZINC000491777303 332342544 /nfs/dbraw/zinc/34/25/44/332342544.db2.gz WXKHGIGEIWVKBX-HUUCEWRRSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C)CC1 ZINC000491787333 332349843 /nfs/dbraw/zinc/34/98/43/332349843.db2.gz WHGKFOISXLJMQD-HIFRSBDPSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)CC1 ZINC000491801568 332355813 /nfs/dbraw/zinc/35/58/13/332355813.db2.gz CXOQUWGRRGBIKT-HUUCEWRRSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H](CO)C2)CC1 ZINC000491801568 332355814 /nfs/dbraw/zinc/35/58/14/332355814.db2.gz CXOQUWGRRGBIKT-HUUCEWRRSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H](O)C2(C)C)CC1 ZINC000491810294 332363074 /nfs/dbraw/zinc/36/30/74/332363074.db2.gz ZAKXLDQMHONOLJ-STQMWFEESA-N 2 2 279.384 -0.487 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000304705933 332974232 /nfs/dbraw/zinc/97/42/32/332974232.db2.gz KQTGQBQOITVJBF-AWEZNQCLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C[N@H+]1CCN(C(=O)NCC2(CC#N)CC2)[C@H](C[NH3+])C1 ZINC000517100296 333092557 /nfs/dbraw/zinc/09/25/57/333092557.db2.gz QFCROXYCYJVMLU-LLVKDONJSA-N 2 2 265.361 -0.035 20 30 CBEDLP C[N@@H+]1CCN(C(=O)NCC2(CC#N)CC2)[C@H](C[NH3+])C1 ZINC000517100296 333092555 /nfs/dbraw/zinc/09/25/55/333092555.db2.gz QFCROXYCYJVMLU-LLVKDONJSA-N 2 2 265.361 -0.035 20 30 CBEDLP C[N@@H+]1CCN(C(=O)NCC2(CC#N)CC2)[C@@H](C[NH3+])C1 ZINC000517100300 333092719 /nfs/dbraw/zinc/09/27/19/333092719.db2.gz QFCROXYCYJVMLU-NSHDSACASA-N 2 2 265.361 -0.035 20 30 CBEDLP C[N@H+]1CCN(C(=O)NCC2(CC#N)CC2)[C@@H](C[NH3+])C1 ZINC000517100300 333092721 /nfs/dbraw/zinc/09/27/21/333092721.db2.gz QFCROXYCYJVMLU-NSHDSACASA-N 2 2 265.361 -0.035 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261557660 334290631 /nfs/dbraw/zinc/29/06/31/334290631.db2.gz CSJSYQCKSBGZFZ-GFCCVEGCSA-N 2 2 254.334 -0.331 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261557660 334290632 /nfs/dbraw/zinc/29/06/32/334290632.db2.gz CSJSYQCKSBGZFZ-GFCCVEGCSA-N 2 2 254.334 -0.331 20 30 CBEDLP C[NH2+]C[C@@H](O)C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000577396764 335348244 /nfs/dbraw/zinc/34/82/44/335348244.db2.gz ZKHOXQBKXDYRFG-GFCCVEGCSA-N 2 2 297.380 -0.498 20 30 CBEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)CC ZINC000104193627 582113274 /nfs/dbraw/zinc/11/32/74/582113274.db2.gz DHWWPHLIEFHGGC-LLVKDONJSA-N 2 2 290.433 -0.190 20 30 CBEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)CC ZINC000104193627 582113275 /nfs/dbraw/zinc/11/32/75/582113275.db2.gz DHWWPHLIEFHGGC-LLVKDONJSA-N 2 2 290.433 -0.190 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000730278174 582149823 /nfs/dbraw/zinc/14/98/23/582149823.db2.gz KUJWXSWTSXVZKR-ZDUSSCGKSA-N 2 2 292.383 -0.896 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000730278174 582149824 /nfs/dbraw/zinc/14/98/24/582149824.db2.gz KUJWXSWTSXVZKR-ZDUSSCGKSA-N 2 2 292.383 -0.896 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000730278174 582149825 /nfs/dbraw/zinc/14/98/25/582149825.db2.gz KUJWXSWTSXVZKR-ZDUSSCGKSA-N 2 2 292.383 -0.896 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC(N)=O)CC1 ZINC000730278174 582149826 /nfs/dbraw/zinc/14/98/26/582149826.db2.gz KUJWXSWTSXVZKR-ZDUSSCGKSA-N 2 2 292.383 -0.896 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H](C)O)CC1 ZINC000749115058 582289251 /nfs/dbraw/zinc/28/92/51/582289251.db2.gz GEHOBSYGHHXREH-LBPRGKRZSA-N 2 2 253.346 -0.924 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H](C)O)CC1 ZINC000749115058 582289252 /nfs/dbraw/zinc/28/92/52/582289252.db2.gz GEHOBSYGHHXREH-LBPRGKRZSA-N 2 2 253.346 -0.924 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000749546189 582289886 /nfs/dbraw/zinc/28/98/86/582289886.db2.gz MMDBPFFCIHLINR-BFHYXJOUSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000749546189 582289887 /nfs/dbraw/zinc/28/98/87/582289887.db2.gz MMDBPFFCIHLINR-BFHYXJOUSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000759632580 582310391 /nfs/dbraw/zinc/31/03/91/582310391.db2.gz PGYOJAZETVTACH-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000759632580 582310392 /nfs/dbraw/zinc/31/03/92/582310392.db2.gz PGYOJAZETVTACH-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000760875103 582313736 /nfs/dbraw/zinc/31/37/36/582313736.db2.gz LMDPOFAMNURZQD-UHFFFAOYSA-N 2 2 276.344 -0.428 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCOCC[C@@H]2C)CC1 ZINC000775570851 582352846 /nfs/dbraw/zinc/35/28/46/582352846.db2.gz WZEICBRCPFDEAG-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCOCC[C@@H]2C)CC1 ZINC000775570851 582352847 /nfs/dbraw/zinc/35/28/47/582352847.db2.gz WZEICBRCPFDEAG-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000779124704 582360316 /nfs/dbraw/zinc/36/03/16/582360316.db2.gz WWQLMFIOCBMNIU-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000779124704 582360317 /nfs/dbraw/zinc/36/03/17/582360317.db2.gz WWQLMFIOCBMNIU-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000779124704 582360318 /nfs/dbraw/zinc/36/03/18/582360318.db2.gz WWQLMFIOCBMNIU-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000779124704 582360319 /nfs/dbraw/zinc/36/03/19/582360319.db2.gz WWQLMFIOCBMNIU-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C=CCN(CC(=O)OCC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846676928 583382760 /nfs/dbraw/zinc/38/27/60/583382760.db2.gz LLVIXFOVFQUHDG-LLVKDONJSA-N 2 2 271.361 -0.157 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000852537074 583548591 /nfs/dbraw/zinc/54/85/91/583548591.db2.gz PHUMZXMBHSXBMH-DZGCQCFKSA-N 2 2 277.368 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000852537074 583548593 /nfs/dbraw/zinc/54/85/93/583548593.db2.gz PHUMZXMBHSXBMH-DZGCQCFKSA-N 2 2 277.368 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000852584816 583549228 /nfs/dbraw/zinc/54/92/28/583549228.db2.gz RTQOPHWWYZQTNH-UONOGXRCSA-N 2 2 291.395 -0.343 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000852668742 583550519 /nfs/dbraw/zinc/55/05/19/583550519.db2.gz GPUGZOSFNJZILY-HUUCEWRRSA-N 2 2 291.395 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000852668742 583550521 /nfs/dbraw/zinc/55/05/21/583550521.db2.gz GPUGZOSFNJZILY-HUUCEWRRSA-N 2 2 291.395 -0.268 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852761117 583552237 /nfs/dbraw/zinc/55/22/37/583552237.db2.gz QUAZFDXHOHIUCF-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852761117 583552238 /nfs/dbraw/zinc/55/22/38/583552238.db2.gz QUAZFDXHOHIUCF-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000859967001 583735608 /nfs/dbraw/zinc/73/56/08/583735608.db2.gz VGLSHNJACCZOAV-OKILXGFUSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000859967001 583735611 /nfs/dbraw/zinc/73/56/11/583735611.db2.gz VGLSHNJACCZOAV-OKILXGFUSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865085733 583895921 /nfs/dbraw/zinc/89/59/21/583895921.db2.gz QFRCARHNQQFZPB-GFCCVEGCSA-N 2 2 262.313 -0.389 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878867235 584219586 /nfs/dbraw/zinc/21/95/86/584219586.db2.gz ILIWOZNHLSOVET-TZMCWYRMSA-N 2 2 267.373 -0.487 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878867235 584219587 /nfs/dbraw/zinc/21/95/87/584219587.db2.gz ILIWOZNHLSOVET-TZMCWYRMSA-N 2 2 267.373 -0.487 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879998428 584258927 /nfs/dbraw/zinc/25/89/27/584258927.db2.gz RTXDENXWAHFKJU-KBPBESRZSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879998428 584258928 /nfs/dbraw/zinc/25/89/28/584258928.db2.gz RTXDENXWAHFKJU-KBPBESRZSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(C)(C)O)C2)CC1 ZINC000880146933 584264304 /nfs/dbraw/zinc/26/43/04/584264304.db2.gz ZYBBJOYSBAKKKX-AWEZNQCLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(C)(C)O)C2)CC1 ZINC000880146933 584264306 /nfs/dbraw/zinc/26/43/06/584264306.db2.gz ZYBBJOYSBAKKKX-AWEZNQCLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000884012096 584355652 /nfs/dbraw/zinc/35/56/52/584355652.db2.gz YWEGXBGAASZJJI-UWVGGRQHSA-N 2 2 255.318 -0.699 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000884012097 584355679 /nfs/dbraw/zinc/35/56/79/584355679.db2.gz YWEGXBGAASZJJI-ZJUUUORDSA-N 2 2 255.318 -0.699 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000884016733 584355921 /nfs/dbraw/zinc/35/59/21/584355921.db2.gz CWDONQVUHKRUGS-MNOVXSKESA-N 2 2 269.345 -0.451 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000884017282 584355979 /nfs/dbraw/zinc/35/59/79/584355979.db2.gz RJJQHTFLABKQJP-QWRGUYRKSA-N 2 2 269.345 -0.370 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000884031062 584356698 /nfs/dbraw/zinc/35/66/98/584356698.db2.gz FNFKMSXZZBWPRK-UWVGGRQHSA-N 2 2 255.318 -0.747 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000884040781 584357005 /nfs/dbraw/zinc/35/70/05/584357005.db2.gz CXGVNHKOPTWMRN-JTQLQIEISA-N 2 2 271.361 -0.124 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000884185076 584364821 /nfs/dbraw/zinc/36/48/21/584364821.db2.gz KJIOEXIUPUKHBV-LBPRGKRZSA-N 2 2 283.372 -0.014 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000884204200 584366595 /nfs/dbraw/zinc/36/65/95/584366595.db2.gz PVNADODKUIJWPT-NEPJUHHUSA-N 2 2 283.372 -0.109 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000884204200 584366596 /nfs/dbraw/zinc/36/65/96/584366596.db2.gz PVNADODKUIJWPT-NEPJUHHUSA-N 2 2 283.372 -0.109 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000884227163 584368822 /nfs/dbraw/zinc/36/88/22/584368822.db2.gz JTKXHRIBUXZNBZ-RYUDHWBXSA-N 2 2 283.372 -0.109 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000884227163 584368823 /nfs/dbraw/zinc/36/88/23/584368823.db2.gz JTKXHRIBUXZNBZ-RYUDHWBXSA-N 2 2 283.372 -0.109 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000884254839 584370473 /nfs/dbraw/zinc/37/04/73/584370473.db2.gz SUWYHGDNRVFCGF-GARJFASQSA-N 2 2 269.345 -0.453 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000884272385 584371192 /nfs/dbraw/zinc/37/11/92/584371192.db2.gz WFRTYHLYDOFOGT-MXWKQRLJSA-N 2 2 269.345 -0.358 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000884272949 584371253 /nfs/dbraw/zinc/37/12/53/584371253.db2.gz GUFVQPNJXRDGKX-VWYCJHECSA-N 2 2 269.345 -0.310 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000884345148 584375791 /nfs/dbraw/zinc/37/57/91/584375791.db2.gz XPPUDXKQOZGSGC-SMDDNHRTSA-N 2 2 281.356 -0.213 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000895883701 584689111 /nfs/dbraw/zinc/68/91/11/584689111.db2.gz FLMKBVDKMZIYHZ-OAHLLOKOSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000895898458 584689363 /nfs/dbraw/zinc/68/93/63/584689363.db2.gz SSLCEJYCDSQRNL-CQSZACIVSA-N 2 2 277.368 -0.516 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H](C)O)CC1 ZINC000981365555 613195245 /nfs/dbraw/zinc/19/52/45/613195245.db2.gz QTGHAKQUZLZBLR-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H](C)O)CC1 ZINC000981365555 613195246 /nfs/dbraw/zinc/19/52/46/613195246.db2.gz QTGHAKQUZLZBLR-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H](C)O)CC1 ZINC000981365555 613195247 /nfs/dbraw/zinc/19/52/47/613195247.db2.gz QTGHAKQUZLZBLR-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H](C)O)CC1 ZINC000981365555 613195248 /nfs/dbraw/zinc/19/52/48/613195248.db2.gz QTGHAKQUZLZBLR-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980893952 613551503 /nfs/dbraw/zinc/55/15/03/613551503.db2.gz RMTCQIFXGGFCCA-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980893952 613551504 /nfs/dbraw/zinc/55/15/04/613551504.db2.gz RMTCQIFXGGFCCA-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980893952 613551507 /nfs/dbraw/zinc/55/15/07/613551507.db2.gz RMTCQIFXGGFCCA-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893952 613551510 /nfs/dbraw/zinc/55/15/10/613551510.db2.gz RMTCQIFXGGFCCA-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP COCCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000303366440 656138799 /nfs/dbraw/zinc/13/87/99/656138799.db2.gz HEBQUMDDSRRDNK-ZDUSSCGKSA-N 2 2 285.436 -0.191 20 30 CBEDLP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001000553097 656736718 /nfs/dbraw/zinc/73/67/18/656736718.db2.gz VZIDTRSCHLYRGB-CQSZACIVSA-N 2 2 277.368 -0.302 20 30 CBEDLP C#CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001000553097 656736724 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CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010426773 657183907 /nfs/dbraw/zinc/18/39/07/657183907.db2.gz JNOBVSZDYNGZHA-STQMWFEESA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010434723 657185808 /nfs/dbraw/zinc/18/58/08/657185808.db2.gz FJKLQUWAQBCDDV-NWDGAFQWSA-N 2 2 251.330 -0.859 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010434723 657185815 /nfs/dbraw/zinc/18/58/15/657185815.db2.gz FJKLQUWAQBCDDV-NWDGAFQWSA-N 2 2 251.330 -0.859 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010434723 657185818 /nfs/dbraw/zinc/18/58/18/657185818.db2.gz FJKLQUWAQBCDDV-NWDGAFQWSA-N 2 2 251.330 -0.859 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010434723 657185821 /nfs/dbraw/zinc/18/58/21/657185821.db2.gz FJKLQUWAQBCDDV-NWDGAFQWSA-N 2 2 251.330 -0.859 20 30 CBEDLP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010437332 657186381 /nfs/dbraw/zinc/18/63/81/657186381.db2.gz WCGIZDCLEIKHTM-NWDGAFQWSA-N 2 2 253.346 -0.307 20 30 CBEDLP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010437332 657186386 /nfs/dbraw/zinc/18/63/86/657186386.db2.gz WCGIZDCLEIKHTM-NWDGAFQWSA-N 2 2 253.346 -0.307 20 30 CBEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010437332 657186395 /nfs/dbraw/zinc/18/63/95/657186395.db2.gz WCGIZDCLEIKHTM-NWDGAFQWSA-N 2 2 253.346 -0.307 20 30 CBEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010437332 657186406 /nfs/dbraw/zinc/18/64/06/657186406.db2.gz WCGIZDCLEIKHTM-NWDGAFQWSA-N 2 2 253.346 -0.307 20 30 CBEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001016303167 657684822 /nfs/dbraw/zinc/68/48/22/657684822.db2.gz UJCPDROUPNAEHT-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001016303167 657684832 /nfs/dbraw/zinc/68/48/32/657684832.db2.gz UJCPDROUPNAEHT-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016303167 657684844 /nfs/dbraw/zinc/68/48/44/657684844.db2.gz UJCPDROUPNAEHT-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016303167 657684851 /nfs/dbraw/zinc/68/48/51/657684851.db2.gz UJCPDROUPNAEHT-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001016305752 657687818 /nfs/dbraw/zinc/68/78/18/657687818.db2.gz MQAHKSGRNIWTAI-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001016305752 657687822 /nfs/dbraw/zinc/68/78/22/657687822.db2.gz MQAHKSGRNIWTAI-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016305752 657687829 /nfs/dbraw/zinc/68/78/29/657687829.db2.gz MQAHKSGRNIWTAI-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016305752 657687834 /nfs/dbraw/zinc/68/78/34/657687834.db2.gz MQAHKSGRNIWTAI-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001016335459 657692399 /nfs/dbraw/zinc/69/23/99/657692399.db2.gz DFPYFHFHPBEONO-CYBMUJFWSA-N 2 2 292.383 -0.993 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001016335459 657692411 /nfs/dbraw/zinc/69/24/11/657692411.db2.gz DFPYFHFHPBEONO-CYBMUJFWSA-N 2 2 292.383 -0.993 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000923550666 658318760 /nfs/dbraw/zinc/31/87/60/658318760.db2.gz FDVMHALSSYTGHH-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000923550666 658318776 /nfs/dbraw/zinc/31/87/76/658318776.db2.gz FDVMHALSSYTGHH-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000923550666 658318781 /nfs/dbraw/zinc/31/87/81/658318781.db2.gz FDVMHALSSYTGHH-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000923550666 658318788 /nfs/dbraw/zinc/31/87/88/658318788.db2.gz FDVMHALSSYTGHH-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000989709249 659609816 /nfs/dbraw/zinc/60/98/16/659609816.db2.gz FIIPAYSHEQCUJF-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000989709249 659609825 /nfs/dbraw/zinc/60/98/25/659609825.db2.gz FIIPAYSHEQCUJF-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000989709249 659609831 /nfs/dbraw/zinc/60/98/31/659609831.db2.gz FIIPAYSHEQCUJF-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000989709249 659609837 /nfs/dbraw/zinc/60/98/37/659609837.db2.gz FIIPAYSHEQCUJF-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076805333 805626027 /nfs/dbraw/zinc/62/60/27/805626027.db2.gz CLHIQIXKXUUBQA-FRRDWIJNSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076805333 805626033 /nfs/dbraw/zinc/62/60/33/805626033.db2.gz CLHIQIXKXUUBQA-FRRDWIJNSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805333 805626038 /nfs/dbraw/zinc/62/60/38/805626038.db2.gz CLHIQIXKXUUBQA-FRRDWIJNSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805333 805626042 /nfs/dbraw/zinc/62/60/42/805626042.db2.gz CLHIQIXKXUUBQA-FRRDWIJNSA-N 2 2 267.373 -0.182 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077022826 805672429 /nfs/dbraw/zinc/67/24/29/805672429.db2.gz WNVUZJNDEMIGKX-FDYHWXHSSA-N 2 2 265.357 -0.879 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001077022826 805672433 /nfs/dbraw/zinc/67/24/33/805672433.db2.gz WNVUZJNDEMIGKX-FDYHWXHSSA-N 2 2 265.357 -0.879 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077022826 805672436 /nfs/dbraw/zinc/67/24/36/805672436.db2.gz WNVUZJNDEMIGKX-FDYHWXHSSA-N 2 2 265.357 -0.879 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001077022826 805672440 /nfs/dbraw/zinc/67/24/40/805672440.db2.gz WNVUZJNDEMIGKX-FDYHWXHSSA-N 2 2 265.357 -0.879 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(=C)C)C[C@H]1O ZINC001077158547 805690231 /nfs/dbraw/zinc/69/02/31/805690231.db2.gz KZPMGDIXVQLMDU-QLFBSQMISA-N 2 2 291.395 -0.179 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(=C)C)C[C@H]1O ZINC001077158547 805690237 /nfs/dbraw/zinc/69/02/37/805690237.db2.gz KZPMGDIXVQLMDU-QLFBSQMISA-N 2 2 291.395 -0.179 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=C)C)C[C@H]1O ZINC001077158547 805690244 /nfs/dbraw/zinc/69/02/44/805690244.db2.gz KZPMGDIXVQLMDU-QLFBSQMISA-N 2 2 291.395 -0.179 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(=C)C)C[C@H]1O ZINC001077158547 805690249 /nfs/dbraw/zinc/69/02/49/805690249.db2.gz KZPMGDIXVQLMDU-QLFBSQMISA-N 2 2 291.395 -0.179 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077220222 805700997 /nfs/dbraw/zinc/70/09/97/805700997.db2.gz GWEHYKRTVLECPC-AAVRWANBSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077220222 805701002 /nfs/dbraw/zinc/70/10/02/805701002.db2.gz GWEHYKRTVLECPC-AAVRWANBSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077220222 805701003 /nfs/dbraw/zinc/70/10/03/805701003.db2.gz GWEHYKRTVLECPC-AAVRWANBSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077220222 805701008 /nfs/dbraw/zinc/70/10/08/805701008.db2.gz GWEHYKRTVLECPC-AAVRWANBSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251890 805707959 /nfs/dbraw/zinc/70/79/59/805707959.db2.gz UGFOOJVVBBBPBI-IACUBPJLSA-N 2 2 290.367 -0.207 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251890 805707963 /nfs/dbraw/zinc/70/79/63/805707963.db2.gz UGFOOJVVBBBPBI-IACUBPJLSA-N 2 2 290.367 -0.207 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001077675501 805767596 /nfs/dbraw/zinc/76/75/96/805767596.db2.gz PERYPDZDZKTPJW-YNEHKIRRSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077675501 805767600 /nfs/dbraw/zinc/76/76/00/805767600.db2.gz PERYPDZDZKTPJW-YNEHKIRRSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675501 805767604 /nfs/dbraw/zinc/76/76/04/805767604.db2.gz PERYPDZDZKTPJW-YNEHKIRRSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675501 805767608 /nfs/dbraw/zinc/76/76/08/805767608.db2.gz PERYPDZDZKTPJW-YNEHKIRRSA-N 2 2 265.357 -0.735 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179908 805854747 /nfs/dbraw/zinc/85/47/47/805854747.db2.gz CZHJSAJPNGQMAK-CHWSQXEVSA-N 2 2 265.357 -0.733 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179908 805854757 /nfs/dbraw/zinc/85/47/57/805854757.db2.gz CZHJSAJPNGQMAK-CHWSQXEVSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001078228176 805860530 /nfs/dbraw/zinc/86/05/30/805860530.db2.gz GKFPXUGQDCGNTE-HUUCEWRRSA-N 2 2 289.379 -0.874 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001078228176 805860541 /nfs/dbraw/zinc/86/05/41/805860541.db2.gz GKFPXUGQDCGNTE-HUUCEWRRSA-N 2 2 289.379 -0.874 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481373 806088046 /nfs/dbraw/zinc/08/80/46/806088046.db2.gz GDCNILWMHFUGHF-MCIONIFRSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481373 806088055 /nfs/dbraw/zinc/08/80/55/806088055.db2.gz GDCNILWMHFUGHF-MCIONIFRSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481374 806087242 /nfs/dbraw/zinc/08/72/42/806087242.db2.gz GDCNILWMHFUGHF-MGPQQGTHSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481374 806087251 /nfs/dbraw/zinc/08/72/51/806087251.db2.gz GDCNILWMHFUGHF-MGPQQGTHSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481374 806087261 /nfs/dbraw/zinc/08/72/61/806087261.db2.gz GDCNILWMHFUGHF-MGPQQGTHSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481374 806087270 /nfs/dbraw/zinc/08/72/70/806087270.db2.gz GDCNILWMHFUGHF-MGPQQGTHSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481373 806088064 /nfs/dbraw/zinc/08/80/64/806088064.db2.gz GDCNILWMHFUGHF-MCIONIFRSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481373 806088072 /nfs/dbraw/zinc/08/80/72/806088072.db2.gz GDCNILWMHFUGHF-MCIONIFRSA-N 2 2 297.399 -0.292 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855922 806128362 /nfs/dbraw/zinc/12/83/62/806128362.db2.gz UPBBPARLQXRPLY-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855922 806128366 /nfs/dbraw/zinc/12/83/66/806128366.db2.gz UPBBPARLQXRPLY-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001081855922 806128371 /nfs/dbraw/zinc/12/83/71/806128371.db2.gz UPBBPARLQXRPLY-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001081855922 806128374 /nfs/dbraw/zinc/12/83/74/806128374.db2.gz UPBBPARLQXRPLY-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001082371568 806169829 /nfs/dbraw/zinc/16/98/29/806169829.db2.gz PAYTYZRFXBQJIP-CHWSQXEVSA-N 2 2 276.340 -0.360 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001082371568 806169833 /nfs/dbraw/zinc/16/98/33/806169833.db2.gz PAYTYZRFXBQJIP-CHWSQXEVSA-N 2 2 276.340 -0.360 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](OC)C1 ZINC001082379486 806171519 /nfs/dbraw/zinc/17/15/19/806171519.db2.gz ZFQKOPAESBQFHZ-MGPQQGTHSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](OC)C1 ZINC001082379486 806171523 /nfs/dbraw/zinc/17/15/23/806171523.db2.gz ZFQKOPAESBQFHZ-MGPQQGTHSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082379486 806171528 /nfs/dbraw/zinc/17/15/28/806171528.db2.gz ZFQKOPAESBQFHZ-MGPQQGTHSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082379486 806171532 /nfs/dbraw/zinc/17/15/32/806171532.db2.gz ZFQKOPAESBQFHZ-MGPQQGTHSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082394717 806173787 /nfs/dbraw/zinc/17/37/87/806173787.db2.gz BWUXGXSPZPPNQF-VXGBXAGGSA-N 2 2 264.329 -0.116 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082394717 806173793 /nfs/dbraw/zinc/17/37/93/806173793.db2.gz BWUXGXSPZPPNQF-VXGBXAGGSA-N 2 2 264.329 -0.116 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083085893 806224423 /nfs/dbraw/zinc/22/44/23/806224423.db2.gz RXAHUUNDSPSYDW-APIJFGDWSA-N 2 2 291.395 -0.129 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083085893 806224431 /nfs/dbraw/zinc/22/44/31/806224431.db2.gz RXAHUUNDSPSYDW-APIJFGDWSA-N 2 2 291.395 -0.129 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083085893 806224438 /nfs/dbraw/zinc/22/44/38/806224438.db2.gz RXAHUUNDSPSYDW-APIJFGDWSA-N 2 2 291.395 -0.129 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083085893 806224445 /nfs/dbraw/zinc/22/44/45/806224445.db2.gz RXAHUUNDSPSYDW-APIJFGDWSA-N 2 2 291.395 -0.129 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083276283 806244587 /nfs/dbraw/zinc/24/45/87/806244587.db2.gz VZSQLGWHDCUJEA-UONOGXRCSA-N 2 2 288.351 -0.264 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083276283 806244594 /nfs/dbraw/zinc/24/45/94/806244594.db2.gz VZSQLGWHDCUJEA-UONOGXRCSA-N 2 2 288.351 -0.264 20 30 CBEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083275205 806245681 /nfs/dbraw/zinc/24/56/81/806245681.db2.gz SMYKGZNDJXZSQV-SOUVJXGZSA-N 2 2 291.395 -0.127 20 30 CBEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@H]2C1 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799629242 /nfs/dbraw/zinc/62/92/42/799629242.db2.gz UXHOZAIZKQGYCB-QPSCCSFWSA-N 2 2 291.395 -0.250 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)O ZINC001032453913 799629245 /nfs/dbraw/zinc/62/92/45/799629245.db2.gz UXHOZAIZKQGYCB-QPSCCSFWSA-N 2 2 291.395 -0.250 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](C)O ZINC001032453913 799629251 /nfs/dbraw/zinc/62/92/51/799629251.db2.gz UXHOZAIZKQGYCB-QPSCCSFWSA-N 2 2 291.395 -0.250 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](C)O ZINC001032453913 799629253 /nfs/dbraw/zinc/62/92/53/799629253.db2.gz UXHOZAIZKQGYCB-QPSCCSFWSA-N 2 2 291.395 -0.250 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001032827162 799674713 /nfs/dbraw/zinc/67/47/13/799674713.db2.gz NQGNVQGTBFWEPG-IHRRRGAJSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001032827162 799674719 /nfs/dbraw/zinc/67/47/19/799674719.db2.gz NQGNVQGTBFWEPG-IHRRRGAJSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H](C)O)C1 ZINC001032827162 799674726 /nfs/dbraw/zinc/67/47/26/799674726.db2.gz NQGNVQGTBFWEPG-IHRRRGAJSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H](C)O)C1 ZINC001032827162 799674732 /nfs/dbraw/zinc/67/47/32/799674732.db2.gz NQGNVQGTBFWEPG-IHRRRGAJSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001033679863 799780035 /nfs/dbraw/zinc/78/00/35/799780035.db2.gz MHDKCGDKWLHTJY-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001033679863 799780037 /nfs/dbraw/zinc/78/00/37/799780037.db2.gz MHDKCGDKWLHTJY-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033679863 799780042 /nfs/dbraw/zinc/78/00/42/799780042.db2.gz MHDKCGDKWLHTJY-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033679863 799780046 /nfs/dbraw/zinc/78/00/46/799780046.db2.gz MHDKCGDKWLHTJY-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034149537 799816882 /nfs/dbraw/zinc/81/68/82/799816882.db2.gz XWCBGAILGNHPRV-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034149537 799816888 /nfs/dbraw/zinc/81/68/88/799816888.db2.gz XWCBGAILGNHPRV-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149537 799816894 /nfs/dbraw/zinc/81/68/94/799816894.db2.gz XWCBGAILGNHPRV-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149537 799816901 /nfs/dbraw/zinc/81/69/01/799816901.db2.gz XWCBGAILGNHPRV-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035313491 799887960 /nfs/dbraw/zinc/88/79/60/799887960.db2.gz PKUXQOROTQRPIJ-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001035313491 799887968 /nfs/dbraw/zinc/88/79/68/799887968.db2.gz PKUXQOROTQRPIJ-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035313491 799887978 /nfs/dbraw/zinc/88/79/78/799887978.db2.gz PKUXQOROTQRPIJ-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035313491 799887983 /nfs/dbraw/zinc/88/79/83/799887983.db2.gz PKUXQOROTQRPIJ-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035313490 799888977 /nfs/dbraw/zinc/88/89/77/799888977.db2.gz PKUXQOROTQRPIJ-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001035313490 799888983 /nfs/dbraw/zinc/88/89/83/799888983.db2.gz PKUXQOROTQRPIJ-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035313490 799888990 /nfs/dbraw/zinc/88/89/90/799888990.db2.gz PKUXQOROTQRPIJ-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035313490 799888994 /nfs/dbraw/zinc/88/89/94/799888994.db2.gz PKUXQOROTQRPIJ-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001039041612 801284163 /nfs/dbraw/zinc/28/41/63/801284163.db2.gz ZAOGDHPHXYYMBM-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001039041612 801284166 /nfs/dbraw/zinc/28/41/66/801284166.db2.gz ZAOGDHPHXYYMBM-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039041612 801284168 /nfs/dbraw/zinc/28/41/68/801284168.db2.gz ZAOGDHPHXYYMBM-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039041612 801284170 /nfs/dbraw/zinc/28/41/70/801284170.db2.gz ZAOGDHPHXYYMBM-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041169780 801374297 /nfs/dbraw/zinc/37/42/97/801374297.db2.gz KXHHMDGJYLEAIG-GDBMZVCRSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041169780 801374301 /nfs/dbraw/zinc/37/43/01/801374301.db2.gz KXHHMDGJYLEAIG-GDBMZVCRSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041169780 801374306 /nfs/dbraw/zinc/37/43/06/801374306.db2.gz KXHHMDGJYLEAIG-GDBMZVCRSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041169780 801374313 /nfs/dbraw/zinc/37/43/13/801374313.db2.gz KXHHMDGJYLEAIG-GDBMZVCRSA-N 2 2 291.395 -0.125 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046221010 801741078 /nfs/dbraw/zinc/74/10/78/801741078.db2.gz WQROSKSASWEVGH-UKRRQHHQSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046221010 801741085 /nfs/dbraw/zinc/74/10/85/801741085.db2.gz WQROSKSASWEVGH-UKRRQHHQSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046221010 801741090 /nfs/dbraw/zinc/74/10/90/801741090.db2.gz WQROSKSASWEVGH-UKRRQHHQSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046221010 801741094 /nfs/dbraw/zinc/74/10/94/801741094.db2.gz WQROSKSASWEVGH-UKRRQHHQSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046218480 801741527 /nfs/dbraw/zinc/74/15/27/801741527.db2.gz JONUMTRLPCFNJD-TZMCWYRMSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046218480 801741529 /nfs/dbraw/zinc/74/15/29/801741529.db2.gz JONUMTRLPCFNJD-TZMCWYRMSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046218480 801741533 /nfs/dbraw/zinc/74/15/33/801741533.db2.gz JONUMTRLPCFNJD-TZMCWYRMSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046218480 801741536 /nfs/dbraw/zinc/74/15/36/801741536.db2.gz JONUMTRLPCFNJD-TZMCWYRMSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001047401298 801864162 /nfs/dbraw/zinc/86/41/62/801864162.db2.gz LDTCLGWUSKLABA-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001047401298 801864170 /nfs/dbraw/zinc/86/41/70/801864170.db2.gz LDTCLGWUSKLABA-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001047401298 801864173 /nfs/dbraw/zinc/86/41/73/801864173.db2.gz LDTCLGWUSKLABA-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001047401298 801864176 /nfs/dbraw/zinc/86/41/76/801864176.db2.gz LDTCLGWUSKLABA-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC=C)C[C@@H]1O ZINC001047415344 801867244 /nfs/dbraw/zinc/86/72/44/801867244.db2.gz UVRGHYFOYAHGMO-KKUMJFAQSA-N 2 2 291.395 -0.227 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC=C)C[C@@H]1O ZINC001047415344 801867248 /nfs/dbraw/zinc/86/72/48/801867248.db2.gz UVRGHYFOYAHGMO-KKUMJFAQSA-N 2 2 291.395 -0.227 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC=C)C[C@@H]1O ZINC001047415344 801867253 /nfs/dbraw/zinc/86/72/53/801867253.db2.gz UVRGHYFOYAHGMO-KKUMJFAQSA-N 2 2 291.395 -0.227 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC=C)C[C@@H]1O ZINC001047415344 801867258 /nfs/dbraw/zinc/86/72/58/801867258.db2.gz UVRGHYFOYAHGMO-KKUMJFAQSA-N 2 2 291.395 -0.227 20 30 CBEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001054008344 802323002 /nfs/dbraw/zinc/32/30/02/802323002.db2.gz WSVINCVZEOANQE-ZIAGYGMSSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001054008344 802323008 /nfs/dbraw/zinc/32/30/08/802323008.db2.gz WSVINCVZEOANQE-ZIAGYGMSSA-N 2 2 291.395 -0.079 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149135046 814972646 /nfs/dbraw/zinc/97/26/46/814972646.db2.gz NZQJUJUMNMMABZ-NSHDSACASA-N 2 2 293.371 -0.343 20 30 CBEDLP COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001323349547 804013747 /nfs/dbraw/zinc/01/37/47/804013747.db2.gz AGKSBXANBOMFAQ-ZIAGYGMSSA-N 2 2 279.384 -0.222 20 30 CBEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001323349547 804013757 /nfs/dbraw/zinc/01/37/57/804013757.db2.gz AGKSBXANBOMFAQ-ZIAGYGMSSA-N 2 2 279.384 -0.222 20 30 CBEDLP COCC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001323349547 804013765 /nfs/dbraw/zinc/01/37/65/804013765.db2.gz AGKSBXANBOMFAQ-ZIAGYGMSSA-N 2 2 279.384 -0.222 20 30 CBEDLP COCC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001323349547 804013773 /nfs/dbraw/zinc/01/37/73/804013773.db2.gz AGKSBXANBOMFAQ-ZIAGYGMSSA-N 2 2 279.384 -0.222 20 30 CBEDLP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(C#N)CC2)CC1 ZINC001325880750 804330887 /nfs/dbraw/zinc/33/08/87/804330887.db2.gz UFQNFKUPEYOCMP-LBPRGKRZSA-N 2 2 252.362 -0.512 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506955 810337564 /nfs/dbraw/zinc/33/75/64/810337564.db2.gz UZLIAUSGCJDGAL-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506955 810337570 /nfs/dbraw/zinc/33/75/70/810337570.db2.gz UZLIAUSGCJDGAL-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088506955 810337578 /nfs/dbraw/zinc/33/75/78/810337578.db2.gz UZLIAUSGCJDGAL-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088506955 810337583 /nfs/dbraw/zinc/33/75/83/810337583.db2.gz UZLIAUSGCJDGAL-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088505365 810337652 /nfs/dbraw/zinc/33/76/52/810337652.db2.gz GEIJZDZGHRNGKG-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088505365 810337659 /nfs/dbraw/zinc/33/76/59/810337659.db2.gz GEIJZDZGHRNGKG-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088505365 810337661 /nfs/dbraw/zinc/33/76/61/810337661.db2.gz GEIJZDZGHRNGKG-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088505365 810337668 /nfs/dbraw/zinc/33/76/68/810337668.db2.gz GEIJZDZGHRNGKG-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090435785 810497687 /nfs/dbraw/zinc/49/76/87/810497687.db2.gz KNECMHXPYLTOGZ-STQMWFEESA-N 2 2 276.340 -0.624 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090435785 810497691 /nfs/dbraw/zinc/49/76/91/810497691.db2.gz KNECMHXPYLTOGZ-STQMWFEESA-N 2 2 276.340 -0.624 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728114 810556261 /nfs/dbraw/zinc/55/62/61/810556261.db2.gz OTTNICHKODHBAE-OLZOCXBDSA-N 2 2 276.340 -0.853 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728114 810556267 /nfs/dbraw/zinc/55/62/67/810556267.db2.gz OTTNICHKODHBAE-OLZOCXBDSA-N 2 2 276.340 -0.853 20 30 CBEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001095264629 810745115 /nfs/dbraw/zinc/74/51/15/810745115.db2.gz VUPKFWIQDLTOAK-RFGFWPKPSA-N 2 2 277.368 -0.328 20 30 CBEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001095264629 810745118 /nfs/dbraw/zinc/74/51/18/810745118.db2.gz VUPKFWIQDLTOAK-RFGFWPKPSA-N 2 2 277.368 -0.328 20 30 CBEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001095264629 810745121 /nfs/dbraw/zinc/74/51/21/810745121.db2.gz VUPKFWIQDLTOAK-RFGFWPKPSA-N 2 2 277.368 -0.328 20 30 CBEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001095264629 810745123 /nfs/dbraw/zinc/74/51/23/810745123.db2.gz VUPKFWIQDLTOAK-RFGFWPKPSA-N 2 2 277.368 -0.328 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804396 810944636 /nfs/dbraw/zinc/94/46/36/810944636.db2.gz MSVOPFJBZOQMOW-NEPJUHHUSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804396 810944641 /nfs/dbraw/zinc/94/46/41/810944641.db2.gz MSVOPFJBZOQMOW-NEPJUHHUSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940152 810971528 /nfs/dbraw/zinc/97/15/28/810971528.db2.gz QXMYCIIZDCRQHA-STQMWFEESA-N 2 2 276.340 -0.542 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940152 810971537 /nfs/dbraw/zinc/97/15/37/810971537.db2.gz QXMYCIIZDCRQHA-STQMWFEESA-N 2 2 276.340 -0.542 20 30 CBEDLP C=CC[NH+]1CC(n2cc(CNC(=O)CC[NH+](C)C)nn2)C1 ZINC001107201826 811334377 /nfs/dbraw/zinc/33/43/77/811334377.db2.gz DPXBUWJTETZJOR-UHFFFAOYSA-N 2 2 292.387 -0.111 20 30 CBEDLP Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(C#N)n1 ZINC001158206221 815513675 /nfs/dbraw/zinc/51/36/75/815513675.db2.gz DPHDUWUTMVYZBR-SECBINFHSA-N 2 2 258.285 -0.296 20 30 CBEDLP CCc1nc(C#N)c(C#N)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158209237 815514193 /nfs/dbraw/zinc/51/41/93/815514193.db2.gz MLXCLPBBDJBLBX-SECBINFHSA-N 2 2 297.322 -0.170 20 30 CBEDLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC001118506416 812562427 /nfs/dbraw/zinc/56/24/27/812562427.db2.gz PLBIILUABWZIKJ-CYBMUJFWSA-N 2 2 293.367 -0.647 20 30 CBEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001120517202 812979209 /nfs/dbraw/zinc/97/92/09/812979209.db2.gz XTTWZQZWQHXBSS-WCQYABFASA-N 2 2 263.345 -0.396 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159528367 815579879 /nfs/dbraw/zinc/57/98/79/815579879.db2.gz WJSMRUQEHOBNPD-UHFFFAOYSA-N 2 2 293.371 -0.260 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159528367 815579880 /nfs/dbraw/zinc/57/98/80/815579880.db2.gz WJSMRUQEHOBNPD-UHFFFAOYSA-N 2 2 293.371 -0.260 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nccn1C ZINC001129774845 813863429 /nfs/dbraw/zinc/86/34/29/813863429.db2.gz HAXRMZYYJWBPJU-ZDUSSCGKSA-N 2 2 289.383 -0.277 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nccn1C ZINC001129774845 813863437 /nfs/dbraw/zinc/86/34/37/813863437.db2.gz HAXRMZYYJWBPJU-ZDUSSCGKSA-N 2 2 289.383 -0.277 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001129770555 813864368 /nfs/dbraw/zinc/86/43/68/813864368.db2.gz IPKHYCDHTHXSNM-ZDUSSCGKSA-N 2 2 290.371 -0.882 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cn(C)nn1 ZINC001129770555 813864380 /nfs/dbraw/zinc/86/43/80/813864380.db2.gz IPKHYCDHTHXSNM-ZDUSSCGKSA-N 2 2 290.371 -0.882 20 30 CBEDLP C#CC[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130653681 813962024 /nfs/dbraw/zinc/96/20/24/813962024.db2.gz UYDZVLRUCGFNKV-UHFFFAOYSA-N 2 2 250.302 -0.311 20 30 CBEDLP C#CC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132780473 814189364 /nfs/dbraw/zinc/18/93/64/814189364.db2.gz ZMDSRPHBSKGWNM-AWEZNQCLSA-N 2 2 279.384 -0.031 20 30 CBEDLP C#CC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132780473 814189367 /nfs/dbraw/zinc/18/93/67/814189367.db2.gz ZMDSRPHBSKGWNM-AWEZNQCLSA-N 2 2 279.384 -0.031 20 30 CBEDLP CC#CC[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255650 814233011 /nfs/dbraw/zinc/23/30/11/814233011.db2.gz TWNACWYKUQMPQD-ZDUSSCGKSA-N 2 2 291.355 -0.814 20 30 CBEDLP CC#CC[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133255650 814233019 /nfs/dbraw/zinc/23/30/19/814233019.db2.gz TWNACWYKUQMPQD-ZDUSSCGKSA-N 2 2 291.355 -0.814 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134393028 814380037 /nfs/dbraw/zinc/38/00/37/814380037.db2.gz GTSIGMWVLMYBHM-UHFFFAOYSA-N 2 2 250.302 -0.692 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134495395 814387696 /nfs/dbraw/zinc/38/76/96/814387696.db2.gz YFZCTSBHANGKQH-GFCCVEGCSA-N 2 2 293.371 -0.158 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160431706 815621041 /nfs/dbraw/zinc/62/10/41/815621041.db2.gz BAWLFGRUYCQJKF-UKRRQHHQSA-N 3 2 278.400 -0.484 20 30 CBEDLP N#CCCN1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001160482500 815627979 /nfs/dbraw/zinc/62/79/79/815627979.db2.gz IYISGSTXSIBUJO-LBPRGKRZSA-N 2 2 276.344 -0.663 20 30 CBEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N(CCC#N)CCC#N ZINC001160749985 815667357 /nfs/dbraw/zinc/66/73/57/815667357.db2.gz DAWHQWVZBFQTFU-LBPRGKRZSA-N 2 2 274.328 -0.054 20 30 CBEDLP C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001161537148 815769298 /nfs/dbraw/zinc/76/92/98/815769298.db2.gz RCOUIOQQZRSIOQ-SRVKXCTJSA-N 2 2 296.371 -0.564 20 30 CBEDLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC#CC[NH+](C)C ZINC001311903464 816848012 /nfs/dbraw/zinc/84/80/12/816848012.db2.gz XCAOZHMQMHFUHP-AWEZNQCLSA-N 2 2 295.431 -0.514 20 30 CBEDLP COCC#CC[N@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001317453142 816983789 /nfs/dbraw/zinc/98/37/89/816983789.db2.gz KATZFNOXXMLZQO-UHFFFAOYSA-N 2 2 278.356 -0.111 20 30 CBEDLP COCC#CC[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001317453142 816983796 /nfs/dbraw/zinc/98/37/96/816983796.db2.gz KATZFNOXXMLZQO-UHFFFAOYSA-N 2 2 278.356 -0.111 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001320282931 817312496 /nfs/dbraw/zinc/31/24/96/817312496.db2.gz LIPQFLNVTSIJHU-PWSUYJOCSA-N 2 2 264.329 -0.712 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001320282931 817312502 /nfs/dbraw/zinc/31/25/02/817312502.db2.gz LIPQFLNVTSIJHU-PWSUYJOCSA-N 2 2 264.329 -0.712 20 30 CBEDLP C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001320283326 817312831 /nfs/dbraw/zinc/31/28/31/817312831.db2.gz XXXZPSMKARZVSO-NSHDSACASA-N 2 2 252.318 -0.405 20 30 CBEDLP C#CC[NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001165731521 819982365 /nfs/dbraw/zinc/98/23/65/819982365.db2.gz FEISTTZTWHJMEV-ZDUSSCGKSA-N 2 2 291.355 -0.814 20 30 CBEDLP C#CC[NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001165731521 819982370 /nfs/dbraw/zinc/98/23/70/819982370.db2.gz FEISTTZTWHJMEV-ZDUSSCGKSA-N 2 2 291.355 -0.814 20 30 CBEDLP C=CC[NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001165731988 819982703 /nfs/dbraw/zinc/98/27/03/819982703.db2.gz SXTIZQATBWMPBM-ZDUSSCGKSA-N 2 2 293.371 -0.261 20 30 CBEDLP C=CC[NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001165731988 819982711 /nfs/dbraw/zinc/98/27/11/819982711.db2.gz SXTIZQATBWMPBM-ZDUSSCGKSA-N 2 2 293.371 -0.261 20 30 CBEDLP N#Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1[N+](=O)[O-] ZINC001169066466 820203265 /nfs/dbraw/zinc/20/32/65/820203265.db2.gz DJULZLBRKNYUOE-MRVPVSSYSA-N 2 2 288.267 -0.091 20 30 CBEDLP C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174683691 820414906 /nfs/dbraw/zinc/41/49/06/820414906.db2.gz UKLBTIJOWBORRI-UHFFFAOYSA-N 2 2 291.355 -0.894 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174682690 820415296 /nfs/dbraw/zinc/41/52/96/820415296.db2.gz KQQDCGDOMJGVTR-UHFFFAOYSA-N 2 2 293.371 -0.341 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177415190 820515060 /nfs/dbraw/zinc/51/50/60/820515060.db2.gz QDVJZJAWROLAMI-LBPRGKRZSA-N 2 2 293.371 -0.330 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)C2(O)CC[NH+](C)CC2)CC1 ZINC001182031097 820853103 /nfs/dbraw/zinc/85/31/03/820853103.db2.gz LSABTKLTKMZFAQ-UHFFFAOYSA-N 2 2 267.373 -0.227 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185918536 821145324 /nfs/dbraw/zinc/14/53/24/821145324.db2.gz MSUMXRTVDRABKP-LLVKDONJSA-N 2 2 291.355 -0.555 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001283765010 828545468 /nfs/dbraw/zinc/54/54/68/828545468.db2.gz PQBWEYGLXPHMRN-RYUDHWBXSA-N 2 2 271.336 -0.880 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCF ZINC001283765010 828545469 /nfs/dbraw/zinc/54/54/69/828545469.db2.gz PQBWEYGLXPHMRN-RYUDHWBXSA-N 2 2 271.336 -0.880 20 30 CBEDLP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001283769508 828546171 /nfs/dbraw/zinc/54/61/71/828546171.db2.gz DQVMNUNBZBSJCU-VXGBXAGGSA-N 2 2 276.340 -0.855 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195654391 824127088 /nfs/dbraw/zinc/12/70/88/824127088.db2.gz RWBQZUMBKCOTPD-VXGBXAGGSA-N 2 2 265.357 -0.877 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195654391 824127094 /nfs/dbraw/zinc/12/70/94/824127094.db2.gz RWBQZUMBKCOTPD-VXGBXAGGSA-N 2 2 265.357 -0.877 20 30 CBEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201515777 824333207 /nfs/dbraw/zinc/33/32/07/824333207.db2.gz NMFAVXWLOXTYET-CYBMUJFWSA-N 2 2 276.340 -0.208 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212460388 824507973 /nfs/dbraw/zinc/50/79/73/824507973.db2.gz HQIMZNSQHQMBHK-JHJVBQTASA-N 2 2 267.373 -0.225 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H](OC)C1 ZINC001212460388 824507979 /nfs/dbraw/zinc/50/79/79/824507979.db2.gz HQIMZNSQHQMBHK-JHJVBQTASA-N 2 2 267.373 -0.225 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213337796 824509902 /nfs/dbraw/zinc/50/99/02/824509902.db2.gz BVCABYZAKHCHOY-CHWSQXEVSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213337796 824509904 /nfs/dbraw/zinc/50/99/04/824509904.db2.gz BVCABYZAKHCHOY-CHWSQXEVSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](OC)C1 ZINC001213757333 824516266 /nfs/dbraw/zinc/51/62/66/824516266.db2.gz DMLZOKZMMQQGCJ-CHWSQXEVSA-N 2 2 267.373 -0.223 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213757333 824516267 /nfs/dbraw/zinc/51/62/67/824516267.db2.gz DMLZOKZMMQQGCJ-CHWSQXEVSA-N 2 2 267.373 -0.223 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213757333 824516271 /nfs/dbraw/zinc/51/62/71/824516271.db2.gz DMLZOKZMMQQGCJ-CHWSQXEVSA-N 2 2 267.373 -0.223 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213757333 824516272 /nfs/dbraw/zinc/51/62/72/824516272.db2.gz DMLZOKZMMQQGCJ-CHWSQXEVSA-N 2 2 267.373 -0.223 20 30 CBEDLP N#Cc1c2c(sc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C[NH2+]CC2 ZINC001218552733 824590262 /nfs/dbraw/zinc/59/02/62/824590262.db2.gz JULHGGPENJVNJD-XCBNKYQSSA-N 3 2 291.380 -0.107 20 30 CBEDLP C#Cc1cnc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(C#C)n1 ZINC001218658009 824618271 /nfs/dbraw/zinc/61/82/71/824618271.db2.gz YKZWHXXBFSLEHU-KCJUWKMLSA-N 2 2 255.281 -0.933 20 30 CBEDLP CNC(=O)c1cc(C#N)cc(C)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001219161436 824670927 /nfs/dbraw/zinc/67/09/27/824670927.db2.gz GLJKZOHKTLSPMI-NSHDSACASA-N 2 2 289.339 -0.159 20 30 CBEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357936 824697226 /nfs/dbraw/zinc/69/72/26/824697226.db2.gz QKARJGXVXPUTLX-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357936 824697231 /nfs/dbraw/zinc/69/72/31/824697231.db2.gz QKARJGXVXPUTLX-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357936 824697235 /nfs/dbraw/zinc/69/72/35/824697235.db2.gz QKARJGXVXPUTLX-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357936 824697241 /nfs/dbraw/zinc/69/72/41/824697241.db2.gz QKARJGXVXPUTLX-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357937 824697767 /nfs/dbraw/zinc/69/77/67/824697767.db2.gz QKARJGXVXPUTLX-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357937 824697774 /nfs/dbraw/zinc/69/77/74/824697774.db2.gz QKARJGXVXPUTLX-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357937 824697782 /nfs/dbraw/zinc/69/77/82/824697782.db2.gz QKARJGXVXPUTLX-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357937 824697785 /nfs/dbraw/zinc/69/77/85/824697785.db2.gz QKARJGXVXPUTLX-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411765 824703957 /nfs/dbraw/zinc/70/39/57/824703957.db2.gz WUVHTWIOGRQGAN-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411765 824703961 /nfs/dbraw/zinc/70/39/61/824703961.db2.gz WUVHTWIOGRQGAN-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411765 824703964 /nfs/dbraw/zinc/70/39/64/824703964.db2.gz WUVHTWIOGRQGAN-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411765 824703967 /nfs/dbraw/zinc/70/39/67/824703967.db2.gz WUVHTWIOGRQGAN-RDBSUJKOSA-N 2 2 297.399 -0.556 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805917 824895187 /nfs/dbraw/zinc/89/51/87/824895187.db2.gz WEYDXDANKXYWDE-HZSPNIEDSA-N 2 2 279.384 -0.489 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805917 824895192 /nfs/dbraw/zinc/89/51/92/824895192.db2.gz WEYDXDANKXYWDE-HZSPNIEDSA-N 2 2 279.384 -0.489 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798173 824896064 /nfs/dbraw/zinc/89/60/64/824896064.db2.gz HBLBEERXXHVZQJ-OLZOCXBDSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219798173 824896068 /nfs/dbraw/zinc/89/60/68/824896068.db2.gz HBLBEERXXHVZQJ-OLZOCXBDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804349 824896296 /nfs/dbraw/zinc/89/62/96/824896296.db2.gz SXVVKYXGNOMFJJ-AGIUHOORSA-N 2 2 265.357 -0.879 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804349 824896303 /nfs/dbraw/zinc/89/63/03/824896303.db2.gz SXVVKYXGNOMFJJ-AGIUHOORSA-N 2 2 265.357 -0.879 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219874877 824906353 /nfs/dbraw/zinc/90/63/53/824906353.db2.gz GMHAMLGZMDWTHJ-UTUOFQBUSA-N 2 2 253.346 -0.879 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219874877 824906361 /nfs/dbraw/zinc/90/63/61/824906361.db2.gz GMHAMLGZMDWTHJ-UTUOFQBUSA-N 2 2 253.346 -0.879 20 30 CBEDLP N#CN=C(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccncc1 ZINC001219972632 824925619 /nfs/dbraw/zinc/92/56/19/824925619.db2.gz SFVLZQQTZFWVQJ-ZJUUUORDSA-N 2 2 258.285 -0.885 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053647 824945274 /nfs/dbraw/zinc/94/52/74/824945274.db2.gz YYWDCAUNDGYAEW-OLZOCXBDSA-N 2 2 290.367 -0.463 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053647 824945281 /nfs/dbraw/zinc/94/52/81/824945281.db2.gz YYWDCAUNDGYAEW-OLZOCXBDSA-N 2 2 290.367 -0.463 20 30 CBEDLP C=C(C)C(=O)OCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220124774 824960338 /nfs/dbraw/zinc/96/03/38/824960338.db2.gz KTQQLWJUAOYVOH-GXFFZTMASA-N 2 2 267.329 -0.827 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220342972 825018187 /nfs/dbraw/zinc/01/81/87/825018187.db2.gz SHPHBKMRCIRPLV-RDBSUJKOSA-N 2 2 281.400 -0.099 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220342972 825018191 /nfs/dbraw/zinc/01/81/91/825018191.db2.gz SHPHBKMRCIRPLV-RDBSUJKOSA-N 2 2 281.400 -0.099 20 30 CBEDLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O)[NH+](C)C ZINC001220377758 825025695 /nfs/dbraw/zinc/02/56/95/825025695.db2.gz MXQOGFJEVJAXSG-RDBSUJKOSA-N 2 2 297.399 -0.862 20 30 CBEDLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O)[NH+](C)C ZINC001220377758 825025701 /nfs/dbraw/zinc/02/57/01/825025701.db2.gz MXQOGFJEVJAXSG-RDBSUJKOSA-N 2 2 297.399 -0.862 20 30 CBEDLP C=C[C@H]1C[C@@]1(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C(=O)OCC ZINC001220571244 825065986 /nfs/dbraw/zinc/06/59/86/825065986.db2.gz MOZMMNUQOIJNSK-NAYUARGSSA-N 2 2 293.367 -0.440 20 30 CBEDLP C=C[C@@H]1C[C@]1(NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)C(=O)OCC ZINC001220571189 825067176 /nfs/dbraw/zinc/06/71/76/825067176.db2.gz LJIHPJXNEYCPLS-BVIHXZOGSA-N 2 2 293.367 -0.438 20 30 CBEDLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCCS ZINC001220587368 825071622 /nfs/dbraw/zinc/07/16/22/825071622.db2.gz BLEYQJBFOFLWFG-JTQLQIEISA-N 2 2 260.407 -0.827 20 30 CBEDLP N#Cc1cnc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)s1 ZINC001220872296 825118611 /nfs/dbraw/zinc/11/86/11/825118611.db2.gz SHZMAPFMZXVNIP-UJNFCWOMSA-N 2 2 277.353 -0.419 20 30 CBEDLP N#CC1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCOCC1 ZINC001220967235 825130828 /nfs/dbraw/zinc/13/08/28/825130828.db2.gz WWGODSJKASUCKH-BREBYQMCSA-N 2 2 264.329 -0.603 20 30 CBEDLP N#Cc1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)cn1 ZINC001221089339 825143697 /nfs/dbraw/zinc/14/36/97/825143697.db2.gz OLFLUHGNDNMJDG-FZMZJTMJSA-N 2 2 271.324 -0.479 20 30 CBEDLP C[NH+]1CCC(C#N)(NC[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001251046956 825771806 /nfs/dbraw/zinc/77/18/06/825771806.db2.gz PXEWWVQTAKTHIA-CYBMUJFWSA-N 2 2 282.388 -0.743 20 30 CBEDLP C#CCOC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001251894579 825803764 /nfs/dbraw/zinc/80/37/64/825803764.db2.gz XBVWTMHCYZVWGF-ZDUSSCGKSA-N 2 2 294.355 -0.941 20 30 CBEDLP C#CCOC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001251894579 825803773 /nfs/dbraw/zinc/80/37/73/825803773.db2.gz XBVWTMHCYZVWGF-ZDUSSCGKSA-N 2 2 294.355 -0.941 20 30 CBEDLP C#CC[NH+]1CCN(C[C@@H](O)C[NH+](CC)CC)CC1 ZINC001253187064 825902279 /nfs/dbraw/zinc/90/22/79/825902279.db2.gz BKJYLHMCVAZYGF-AWEZNQCLSA-N 2 2 253.390 -0.060 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[NH+](CCOCC)CC1 ZINC001263094852 826736534 /nfs/dbraw/zinc/73/65/34/826736534.db2.gz UNYOQOJKKOFSMV-UHFFFAOYSA-N 2 2 253.346 -0.610 20 30 CBEDLP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001263305689 826762656 /nfs/dbraw/zinc/76/26/56/826762656.db2.gz DPAFFCGYZZRQTG-DZGCQCFKSA-N 2 2 292.427 -0.260 20 30 CBEDLP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001263305689 826762659 /nfs/dbraw/zinc/76/26/59/826762659.db2.gz DPAFFCGYZZRQTG-DZGCQCFKSA-N 2 2 292.427 -0.260 20 30 CBEDLP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001264159238 826799804 /nfs/dbraw/zinc/79/98/04/826799804.db2.gz TVJHGFWVAUJPFY-NEPJUHHUSA-N 2 2 295.387 -0.843 20 30 CBEDLP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)NCC#N ZINC001264159238 826799813 /nfs/dbraw/zinc/79/98/13/826799813.db2.gz TVJHGFWVAUJPFY-NEPJUHHUSA-N 2 2 295.387 -0.843 20 30 CBEDLP N#CCN1CC[NH+](CCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001265254776 826860055 /nfs/dbraw/zinc/86/00/55/826860055.db2.gz ZYLWNYAHPUKVLB-UHFFFAOYSA-N 2 2 290.371 -0.469 20 30 CBEDLP CC#CCN1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001265262873 826864233 /nfs/dbraw/zinc/86/42/33/826864233.db2.gz LGSMKSXQEOCJSC-UHFFFAOYSA-N 2 2 280.416 -0.305 20 30 CBEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001265297705 826873973 /nfs/dbraw/zinc/87/39/73/826873973.db2.gz WMBRFLFBHHZHNH-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001265297705 826873987 /nfs/dbraw/zinc/87/39/87/826873987.db2.gz WMBRFLFBHHZHNH-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP COCC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265297705 826874000 /nfs/dbraw/zinc/87/40/00/826874000.db2.gz WMBRFLFBHHZHNH-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP COCC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265297705 826874013 /nfs/dbraw/zinc/87/40/13/826874013.db2.gz WMBRFLFBHHZHNH-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC(N)=O ZINC001266394684 826994711 /nfs/dbraw/zinc/99/47/11/826994711.db2.gz VBSYGOGLKQGRCP-LBPRGKRZSA-N 2 2 280.372 -0.993 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC(N)=O ZINC001266394684 826994714 /nfs/dbraw/zinc/99/47/14/826994714.db2.gz VBSYGOGLKQGRCP-LBPRGKRZSA-N 2 2 280.372 -0.993 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC(N)=O ZINC001266394684 826994719 /nfs/dbraw/zinc/99/47/19/826994719.db2.gz VBSYGOGLKQGRCP-LBPRGKRZSA-N 2 2 280.372 -0.993 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC(N)=O ZINC001266394684 826994723 /nfs/dbraw/zinc/99/47/23/826994723.db2.gz VBSYGOGLKQGRCP-LBPRGKRZSA-N 2 2 280.372 -0.993 20 30 CBEDLP COCC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267072576 827113121 /nfs/dbraw/zinc/11/31/21/827113121.db2.gz FGLXRQYYKWQENB-CQSZACIVSA-N 2 2 290.367 -0.029 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268315579 827296136 /nfs/dbraw/zinc/29/61/36/827296136.db2.gz NYZKEWMWLKQLFD-TZMCWYRMSA-N 2 2 290.367 -0.465 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268317759 827297443 /nfs/dbraw/zinc/29/74/43/827297443.db2.gz ZEXFXOQKENDILM-NWDGAFQWSA-N 2 2 276.340 -0.855 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001272171884 827766594 /nfs/dbraw/zinc/76/65/94/827766594.db2.gz HVTVNNXYTPEFHM-CYBMUJFWSA-N 2 2 296.415 -0.370 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001272171884 827766603 /nfs/dbraw/zinc/76/66/03/827766603.db2.gz HVTVNNXYTPEFHM-CYBMUJFWSA-N 2 2 296.415 -0.370 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001272171884 827766607 /nfs/dbraw/zinc/76/66/07/827766607.db2.gz HVTVNNXYTPEFHM-CYBMUJFWSA-N 2 2 296.415 -0.370 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001272171884 827766613 /nfs/dbraw/zinc/76/66/13/827766613.db2.gz HVTVNNXYTPEFHM-CYBMUJFWSA-N 2 2 296.415 -0.370 20 30 CBEDLP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001273935549 827944455 /nfs/dbraw/zinc/94/44/55/827944455.db2.gz FALIBYIVKKAKOO-OAHLLOKOSA-N 2 2 290.367 -0.151 20 30 CBEDLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001275526500 828097935 /nfs/dbraw/zinc/09/79/35/828097935.db2.gz GKDWVBPPFQLUFE-UWVGGRQHSA-N 2 2 292.343 -0.925 20 30 CBEDLP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001277832404 828212829 /nfs/dbraw/zinc/21/28/29/828212829.db2.gz SBXRUVWBLMMWGH-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001277832404 828212835 /nfs/dbraw/zinc/21/28/35/828212835.db2.gz SBXRUVWBLMMWGH-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001278104936 828247265 /nfs/dbraw/zinc/24/72/65/828247265.db2.gz BYFBXIGRWJOKQR-QWHCGFSZSA-N 2 2 290.367 -0.465 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001278837603 828294608 /nfs/dbraw/zinc/29/46/08/828294608.db2.gz BAQCYLLFAKWLRS-ZDUSSCGKSA-N 2 2 278.356 -0.295 20 30 CBEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001329563595 886124816 /nfs/dbraw/zinc/12/48/16/886124816.db2.gz ABZAYZDVYDDKEZ-WDEREUQCSA-N 2 2 281.360 -0.927 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001342126179 889715142 /nfs/dbraw/zinc/71/51/42/889715142.db2.gz NNYYDTZKWJQOCO-GFCCVEGCSA-N 2 2 251.330 -0.858 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601910 884644561 /nfs/dbraw/zinc/64/45/61/884644561.db2.gz WCRXYGNLQGTNAT-QWHCGFSZSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601910 884644567 /nfs/dbraw/zinc/64/45/67/884644567.db2.gz WCRXYGNLQGTNAT-QWHCGFSZSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001328414499 885678578 /nfs/dbraw/zinc/67/85/78/885678578.db2.gz QEQWMHCWWURYQZ-NSHDSACASA-N 2 2 291.355 -0.814 20 30 CBEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001329563595 886124813 /nfs/dbraw/zinc/12/48/13/886124813.db2.gz ABZAYZDVYDDKEZ-WDEREUQCSA-N 2 2 281.360 -0.927 20 30 CBEDLP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001331740123 886950329 /nfs/dbraw/zinc/95/03/29/886950329.db2.gz NYWOOMVXJHZEPX-VXGBXAGGSA-N 2 2 276.340 -0.855 20 30 CBEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001331791967 886986324 /nfs/dbraw/zinc/98/63/24/886986324.db2.gz XUIBNBTYFFQMHX-QWHCGFSZSA-N 2 2 278.356 -0.076 20 30 CBEDLP C=CC[C@@H](CO)CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335623819 888585340 /nfs/dbraw/zinc/58/53/40/888585340.db2.gz VEOGAKLKMOWJNO-GFCCVEGCSA-N 2 2 284.404 -0.107 20 30 CBEDLP C=CCNC(=O)CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336192211 888715065 /nfs/dbraw/zinc/71/50/65/888715065.db2.gz JDECWVMITQACKB-UHFFFAOYSA-N 2 2 283.376 -0.989 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC001343422901 889905751 /nfs/dbraw/zinc/90/57/51/889905751.db2.gz AQUQGMIRCXZHMX-NWDGAFQWSA-N 2 2 253.346 -0.565 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001343421852 889906857 /nfs/dbraw/zinc/90/68/57/889906857.db2.gz SCDKUYXODRJTCW-CHWSQXEVSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001346275684 890254468 /nfs/dbraw/zinc/25/44/68/890254468.db2.gz JLTUYZNHFRDZQR-CQSZACIVSA-N 2 2 282.384 -0.424 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001351110790 891106644 /nfs/dbraw/zinc/10/66/44/891106644.db2.gz AMKBSNUKWRSXSL-HUUCEWRRSA-N 2 2 290.411 -0.458 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001351110790 891106654 /nfs/dbraw/zinc/10/66/54/891106654.db2.gz AMKBSNUKWRSXSL-HUUCEWRRSA-N 2 2 290.411 -0.458 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001351110785 891107604 /nfs/dbraw/zinc/10/76/04/891107604.db2.gz AMKBSNUKWRSXSL-CABCVRRESA-N 2 2 290.411 -0.458 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001351110785 891107606 /nfs/dbraw/zinc/10/76/06/891107606.db2.gz AMKBSNUKWRSXSL-CABCVRRESA-N 2 2 290.411 -0.458 20 30 CBEDLP C[N@@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@H](CO)C1 ZINC001356252672 891742465 /nfs/dbraw/zinc/74/24/65/891742465.db2.gz IZEWCOKWWXAJMD-ZDUSSCGKSA-N 2 2 265.357 -0.876 20 30 CBEDLP C[N@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@H](CO)C1 ZINC001356252672 891742471 /nfs/dbraw/zinc/74/24/71/891742471.db2.gz IZEWCOKWWXAJMD-ZDUSSCGKSA-N 2 2 265.357 -0.876 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC001357570537 891915077 /nfs/dbraw/zinc/91/50/77/891915077.db2.gz LHXFRKIEXPTQQU-GFCCVEGCSA-N 2 2 281.356 -0.695 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC001357570537 891915069 /nfs/dbraw/zinc/91/50/69/891915069.db2.gz LHXFRKIEXPTQQU-GFCCVEGCSA-N 2 2 281.356 -0.695 20 30 CBEDLP C#CC[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001502640388 921375887 /nfs/dbraw/zinc/37/58/87/921375887.db2.gz ZAYOQBBKGOQGQE-UHFFFAOYSA-N 2 2 276.340 -0.160 20 30 CBEDLP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001506845852 921626249 /nfs/dbraw/zinc/62/62/49/921626249.db2.gz WIXXZITUAHRGQI-WCQYABFASA-N 2 2 276.340 -0.209 20 30 CBEDLP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001507246375 921778395 /nfs/dbraw/zinc/77/83/95/921778395.db2.gz JMOOBADLXKECFB-AAEUAGOBSA-N 2 2 278.356 -0.322 20 30 CBEDLP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001507246375 921778407 /nfs/dbraw/zinc/77/84/07/921778407.db2.gz JMOOBADLXKECFB-AAEUAGOBSA-N 2 2 278.356 -0.322 20 30 CBEDLP C[C@H]([C@H](C)NC(=O)NCC#CC[NH+](C)C)[NH+]1CCOCC1 ZINC001477824025 916019621 /nfs/dbraw/zinc/01/96/21/916019621.db2.gz CASNAEDUFRGMFU-UONOGXRCSA-N 2 2 296.415 -0.040 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001479241241 916101281 /nfs/dbraw/zinc/10/12/81/916101281.db2.gz ACYIQPBQIJLGJD-ZDUSSCGKSA-N 2 2 294.399 -0.780 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001479241241 916101288 /nfs/dbraw/zinc/10/12/88/916101288.db2.gz ACYIQPBQIJLGJD-ZDUSSCGKSA-N 2 2 294.399 -0.780 20 30 CBEDLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)NCC#N ZINC001480511633 916444570 /nfs/dbraw/zinc/44/45/70/916444570.db2.gz LZOFESDEFBVVSS-LLVKDONJSA-N 2 2 292.343 -0.993 20 30 CBEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001480914099 916626296 /nfs/dbraw/zinc/62/62/96/916626296.db2.gz SMNMOSOHKPGVOY-ZDUSSCGKSA-N 2 2 294.399 -0.874 20 30 CBEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001480914099 916626305 /nfs/dbraw/zinc/62/63/05/916626305.db2.gz SMNMOSOHKPGVOY-ZDUSSCGKSA-N 2 2 294.399 -0.874 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001480914099 916626311 /nfs/dbraw/zinc/62/63/11/916626311.db2.gz SMNMOSOHKPGVOY-ZDUSSCGKSA-N 2 2 294.399 -0.874 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001480914099 916626321 /nfs/dbraw/zinc/62/63/21/916626321.db2.gz SMNMOSOHKPGVOY-ZDUSSCGKSA-N 2 2 294.399 -0.874 20 30 CBEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001481694834 916954662 /nfs/dbraw/zinc/95/46/62/916954662.db2.gz TZOJTIOCQNUOTH-ZDUSSCGKSA-N 2 2 294.399 -0.732 20 30 CBEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001481694834 916954671 /nfs/dbraw/zinc/95/46/71/916954671.db2.gz TZOJTIOCQNUOTH-ZDUSSCGKSA-N 2 2 294.399 -0.732 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001481694834 916954678 /nfs/dbraw/zinc/95/46/78/916954678.db2.gz TZOJTIOCQNUOTH-ZDUSSCGKSA-N 2 2 294.399 -0.732 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001481694834 916954681 /nfs/dbraw/zinc/95/46/81/916954681.db2.gz TZOJTIOCQNUOTH-ZDUSSCGKSA-N 2 2 294.399 -0.732 20 30 CBEDLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NCC#N ZINC001481862180 917007120 /nfs/dbraw/zinc/00/71/20/917007120.db2.gz SOJSYRJPTKLNNM-SNVBAGLBSA-N 2 2 292.343 -0.924 20 30 CBEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482376489 917141090 /nfs/dbraw/zinc/14/10/90/917141090.db2.gz ZTYKZMKABOWYRM-CYBMUJFWSA-N 2 2 278.356 -0.031 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482743955 917247832 /nfs/dbraw/zinc/24/78/32/917247832.db2.gz MRRVWNJTRPMXDW-STQMWFEESA-N 2 2 290.367 -0.465 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482770351 917267265 /nfs/dbraw/zinc/26/72/65/917267265.db2.gz QGXXCTBPKLMMEN-IJLUTSLNSA-N 2 2 278.356 -0.224 20 30 CBEDLP C=CC[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001484246330 917782921 /nfs/dbraw/zinc/78/29/21/917782921.db2.gz IXNHYVBNFWTIFP-CQSZACIVSA-N 2 2 278.356 -0.298 20 30 CBEDLP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001484246330 917782931 /nfs/dbraw/zinc/78/29/31/917782931.db2.gz IXNHYVBNFWTIFP-CQSZACIVSA-N 2 2 278.356 -0.298 20 30 CBEDLP C#CC[NH2+]CCN(CCO)C(=O)CCc1c[nH]c[nH+]1 ZINC001484484745 917870854 /nfs/dbraw/zinc/87/08/54/917870854.db2.gz ILULFLILXZGOPX-UHFFFAOYSA-N 2 2 264.329 -0.614 20 30 CBEDLP C#CC[NH2+]CCN(CCO)C(=O)CCc1c[nH+]c[nH]1 ZINC001484484745 917870861 /nfs/dbraw/zinc/87/08/61/917870861.db2.gz ILULFLILXZGOPX-UHFFFAOYSA-N 2 2 264.329 -0.614 20 30 CBEDLP C#CC[NH2+]CCN(CCO)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001484496695 917877617 /nfs/dbraw/zinc/87/76/17/917877617.db2.gz YACGZYAIXLBBLU-CYBMUJFWSA-N 2 2 278.356 -0.122 20 30 CBEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485556082 918145212 /nfs/dbraw/zinc/14/52/12/918145212.db2.gz QBCFKBDBZHGNFC-OAHLLOKOSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485556082 918145227 /nfs/dbraw/zinc/14/52/27/918145227.db2.gz QBCFKBDBZHGNFC-OAHLLOKOSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485556081 918145892 /nfs/dbraw/zinc/14/58/92/918145892.db2.gz QBCFKBDBZHGNFC-HNNXBMFYSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001485556081 918145899 /nfs/dbraw/zinc/14/58/99/918145899.db2.gz QBCFKBDBZHGNFC-HNNXBMFYSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001485648080 918165138 /nfs/dbraw/zinc/16/51/38/918165138.db2.gz XCSFCXWABUYFKJ-NEPJUHHUSA-N 2 2 276.340 -0.209 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001486280185 918408842 /nfs/dbraw/zinc/40/88/42/918408842.db2.gz XGEJGOUNIOVIQP-ZDUSSCGKSA-N 2 2 278.356 -0.226 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001486280185 918408846 /nfs/dbraw/zinc/40/88/46/918408846.db2.gz XGEJGOUNIOVIQP-ZDUSSCGKSA-N 2 2 278.356 -0.226 20 30 CBEDLP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001486359712 918450660 /nfs/dbraw/zinc/45/06/60/918450660.db2.gz BYVISLYSEXEZJG-GFCCVEGCSA-N 2 2 266.345 -0.180 20 30 CBEDLP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001486359712 918450670 /nfs/dbraw/zinc/45/06/70/918450670.db2.gz BYVISLYSEXEZJG-GFCCVEGCSA-N 2 2 266.345 -0.180 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001491754843 919268353 /nfs/dbraw/zinc/26/83/53/919268353.db2.gz MSUMXRTVDRABKP-NSHDSACASA-N 2 2 291.355 -0.555 20 30 CBEDLP CC[C@H](C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001496730762 920125978 /nfs/dbraw/zinc/12/59/78/920125978.db2.gz IUOUIKLAALEITM-GFCCVEGCSA-N 2 2 297.403 -0.643 20 30 CBEDLP CC[C@H](C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001496730762 920125983 /nfs/dbraw/zinc/12/59/83/920125983.db2.gz IUOUIKLAALEITM-GFCCVEGCSA-N 2 2 297.403 -0.643 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001496758550 920130188 /nfs/dbraw/zinc/13/01/88/920130188.db2.gz PNPICXHJXKPJEY-CYBMUJFWSA-N 2 2 294.399 -0.780 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001496758550 920130198 /nfs/dbraw/zinc/13/01/98/920130198.db2.gz PNPICXHJXKPJEY-CYBMUJFWSA-N 2 2 294.399 -0.780 20 30 CBEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001496758550 920130214 /nfs/dbraw/zinc/13/02/14/920130214.db2.gz PNPICXHJXKPJEY-CYBMUJFWSA-N 2 2 294.399 -0.780 20 30 CBEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001496758550 920130223 /nfs/dbraw/zinc/13/02/23/920130223.db2.gz PNPICXHJXKPJEY-CYBMUJFWSA-N 2 2 294.399 -0.780 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001497018008 920207391 /nfs/dbraw/zinc/20/73/91/920207391.db2.gz PTYXAOIYNXSWPQ-NSHDSACASA-N 2 2 272.308 -0.352 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC001543051095 923284692 /nfs/dbraw/zinc/28/46/92/923284692.db2.gz MXKQXZBJWCOKSU-UHFFFAOYSA-N 2 2 268.361 -0.876 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC001543051095 923284704 /nfs/dbraw/zinc/28/47/04/923284704.db2.gz MXKQXZBJWCOKSU-UHFFFAOYSA-N 2 2 268.361 -0.876 20 30 CBEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])N2CCOCC2)n1C ZINC000262514647 282318057 /nfs/dbraw/zinc/31/80/57/282318057.db2.gz FVOIFTQBXAOQRQ-UHFFFAOYSA-N 2 2 266.349 -0.367 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000073640830 351655772 /nfs/dbraw/zinc/65/57/72/351655772.db2.gz MYSCPQGSNROBGO-UHFFFAOYSA-N 2 2 278.400 -0.599 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H](C)O)C2)CC1 ZINC000089928530 351735002 /nfs/dbraw/zinc/73/50/02/351735002.db2.gz FQJVAKUERXFHCI-GJZGRUSLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H](C)O)C2)CC1 ZINC000089928530 351735004 /nfs/dbraw/zinc/73/50/04/351735004.db2.gz FQJVAKUERXFHCI-GJZGRUSLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](C)(O)C2)CC1 ZINC000124091042 351854879 /nfs/dbraw/zinc/85/48/79/351854879.db2.gz VJFJBUFFBQAEPN-HNNXBMFYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC000124091042 351854886 /nfs/dbraw/zinc/85/48/86/351854886.db2.gz VJFJBUFFBQAEPN-HNNXBMFYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193600990 352207559 /nfs/dbraw/zinc/20/75/59/352207559.db2.gz WPIPGNBXIVFLLZ-UTUOFQBUSA-N 2 2 280.372 -0.120 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193600990 352207563 /nfs/dbraw/zinc/20/75/63/352207563.db2.gz WPIPGNBXIVFLLZ-UTUOFQBUSA-N 2 2 280.372 -0.120 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193600990 352207565 /nfs/dbraw/zinc/20/75/65/352207565.db2.gz WPIPGNBXIVFLLZ-UTUOFQBUSA-N 2 2 280.372 -0.120 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193600990 352207568 /nfs/dbraw/zinc/20/75/68/352207568.db2.gz WPIPGNBXIVFLLZ-UTUOFQBUSA-N 2 2 280.372 -0.120 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)CCO)CC1 ZINC000304714869 352747747 /nfs/dbraw/zinc/74/77/47/352747747.db2.gz MZSHFKXOJNCIEV-UHFFFAOYSA-N 2 2 253.346 -0.922 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CCO)CC1 ZINC000304714869 352747749 /nfs/dbraw/zinc/74/77/49/352747749.db2.gz MZSHFKXOJNCIEV-UHFFFAOYSA-N 2 2 253.346 -0.922 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C[C@H](C)O)CC1 ZINC000305214752 352748790 /nfs/dbraw/zinc/74/87/90/352748790.db2.gz HZZJPGAPOHDNKO-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C[C@H](C)O)CC1 ZINC000305214752 352748792 /nfs/dbraw/zinc/74/87/92/352748792.db2.gz HZZJPGAPOHDNKO-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357083133 353601553 /nfs/dbraw/zinc/60/15/53/353601553.db2.gz IRPQSJKHXNYMTK-TUAOUCFPSA-N 2 2 280.372 -0.072 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357083133 353601556 /nfs/dbraw/zinc/60/15/56/353601556.db2.gz IRPQSJKHXNYMTK-TUAOUCFPSA-N 2 2 280.372 -0.072 20 30 CBEDLP CO/N=C/C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367690456 353683230 /nfs/dbraw/zinc/68/32/30/353683230.db2.gz YSKQVHHJMWVLHY-ZECSTPGPSA-N 2 2 268.361 -0.097 20 30 CBEDLP CO/N=C/C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367690456 353683232 /nfs/dbraw/zinc/68/32/32/353683232.db2.gz YSKQVHHJMWVLHY-ZECSTPGPSA-N 2 2 268.361 -0.097 20 30 CBEDLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424143819 354212518 /nfs/dbraw/zinc/21/25/18/354212518.db2.gz GIFPVQRWUUYEER-NWDGAFQWSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424143819 354212519 /nfs/dbraw/zinc/21/25/19/354212519.db2.gz GIFPVQRWUUYEER-NWDGAFQWSA-N 2 2 268.361 -0.156 20 30 CBEDLP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000424170651 354214144 /nfs/dbraw/zinc/21/41/44/354214144.db2.gz IOGRJLQTAINSMM-QWHCGFSZSA-N 2 2 280.372 -0.013 20 30 CBEDLP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000424170651 354214149 /nfs/dbraw/zinc/21/41/49/354214149.db2.gz IOGRJLQTAINSMM-QWHCGFSZSA-N 2 2 280.372 -0.013 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000430647989 354250622 /nfs/dbraw/zinc/25/06/22/354250622.db2.gz YOSZRGTUGPVMNO-VIFPVBQESA-N 2 2 254.334 -0.190 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430578753 354250940 /nfs/dbraw/zinc/25/09/40/354250940.db2.gz FORUKWSMDKUMIK-LBPRGKRZSA-N 2 2 254.334 -0.285 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)Cn2cccn2)CC1 ZINC000490778469 354447240 /nfs/dbraw/zinc/44/72/40/354447240.db2.gz GBCSGXAHAFKZLG-CQSZACIVSA-N 2 2 289.383 -0.361 20 30 CBEDLP C[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C[NH+]1CCOCC1 ZINC000567605930 354791788 /nfs/dbraw/zinc/79/17/88/354791788.db2.gz LJMQLBQGQNOYJQ-LSDHHAIUSA-N 2 2 298.431 -0.249 20 30 CBEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592145580 355133912 /nfs/dbraw/zinc/13/39/12/355133912.db2.gz XYPBIQFBSDQTJQ-HNNXBMFYSA-N 2 2 294.399 -0.063 20 30 CBEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592145580 355133915 /nfs/dbraw/zinc/13/39/15/355133915.db2.gz XYPBIQFBSDQTJQ-HNNXBMFYSA-N 2 2 294.399 -0.063 20 30 CBEDLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000592153820 355135023 /nfs/dbraw/zinc/13/50/23/355135023.db2.gz PCRYUAHQKBOFFG-STQMWFEESA-N 2 2 253.346 -0.208 20 30 CBEDLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000592153820 355135025 /nfs/dbraw/zinc/13/50/25/355135025.db2.gz PCRYUAHQKBOFFG-STQMWFEESA-N 2 2 253.346 -0.208 20 30 CBEDLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000592153820 355135028 /nfs/dbraw/zinc/13/50/28/355135028.db2.gz PCRYUAHQKBOFFG-STQMWFEESA-N 2 2 253.346 -0.208 20 30 CBEDLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000592153820 355135031 /nfs/dbraw/zinc/13/50/31/355135031.db2.gz PCRYUAHQKBOFFG-STQMWFEESA-N 2 2 253.346 -0.208 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874319 220199562 /nfs/dbraw/zinc/19/95/62/220199562.db2.gz VKQUJKFXUJIWSB-UHFFFAOYSA-N 2 2 256.350 -0.085 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874319 220199568 /nfs/dbraw/zinc/19/95/68/220199568.db2.gz VKQUJKFXUJIWSB-UHFFFAOYSA-N 2 2 256.350 -0.085 20 30 CBEDLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C#N)CC2)CC1 ZINC000079841012 220196843 /nfs/dbraw/zinc/19/68/43/220196843.db2.gz NMWFKVMIBPIEOH-UHFFFAOYSA-N 2 2 250.346 -0.004 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000163198662 220218611 /nfs/dbraw/zinc/21/86/11/220218611.db2.gz VVZPONCSOZLNDK-UWVGGRQHSA-N 2 2 254.334 -0.333 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000163198662 220218616 /nfs/dbraw/zinc/21/86/16/220218616.db2.gz VVZPONCSOZLNDK-UWVGGRQHSA-N 2 2 254.334 -0.333 20 30 CBEDLP C#CCCNC(=[NH+]C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261948842 220246585 /nfs/dbraw/zinc/24/65/85/220246585.db2.gz GSCDVRSGUJVKEI-UHFFFAOYSA-N 2 2 293.415 -0.319 20 30 CBEDLP CN/C(=[NH+]/C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261990804 220246607 /nfs/dbraw/zinc/24/66/07/220246607.db2.gz RGHQPENYVNPGML-UHFFFAOYSA-N 2 2 255.366 -0.713 20 30 CBEDLP C[C@H]1CN(C(=[NH2+])NCC[N@@H+]2CCCOCC2)CCO1 ZINC000262447631 220251856 /nfs/dbraw/zinc/25/18/56/220251856.db2.gz JDDHKTAURMNBPK-LBPRGKRZSA-N 2 2 270.377 -0.256 20 30 CBEDLP C[C@H]1CN(C(=[NH2+])NCC[N@H+]2CCCOCC2)CCO1 ZINC000262447631 220251859 /nfs/dbraw/zinc/25/18/59/220251859.db2.gz JDDHKTAURMNBPK-LBPRGKRZSA-N 2 2 270.377 -0.256 20 30 CBEDLP C[C@H]1CN(C(=[NH2+])NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000263189591 220261327 /nfs/dbraw/zinc/26/13/27/220261327.db2.gz VLVRXUBDIYTZML-RWMBFGLXSA-N 2 2 282.388 -0.115 20 30 CBEDLP C[C@H]1CN(C(=[NH2+])NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCO1 ZINC000263189591 220261332 /nfs/dbraw/zinc/26/13/32/220261332.db2.gz VLVRXUBDIYTZML-RWMBFGLXSA-N 2 2 282.388 -0.115 20 30 CBEDLP CN(C)c1[nH+]cc(C[NH2+]CCn2cnc(C#N)n2)n1C ZINC000425342494 208018827 /nfs/dbraw/zinc/01/88/27/208018827.db2.gz ANVVKPWUODCWDC-UHFFFAOYSA-N 2 2 274.332 -0.261 20 30 CBEDLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000329884237 220345846 /nfs/dbraw/zinc/34/58/46/220345846.db2.gz SEGNBHNUUCRHEH-GFCCVEGCSA-N 2 2 298.387 -0.562 20 30 CBEDLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000329884237 220345850 /nfs/dbraw/zinc/34/58/50/220345850.db2.gz SEGNBHNUUCRHEH-GFCCVEGCSA-N 2 2 298.387 -0.562 20 30 CBEDLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000328824582 544531819 /nfs/dbraw/zinc/53/18/19/544531819.db2.gz RPICYOFPFNTZIR-VXGBXAGGSA-N 2 2 271.361 -0.270 20 30 CBEDLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000328824582 544531824 /nfs/dbraw/zinc/53/18/24/544531824.db2.gz RPICYOFPFNTZIR-VXGBXAGGSA-N 2 2 271.361 -0.270 20 30 CBEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCC#N ZINC000441191349 289331918 /nfs/dbraw/zinc/33/19/18/289331918.db2.gz VQQARNBCQJEGGL-FRRDWIJNSA-N 2 2 280.372 -0.190 20 30 CBEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCC#N ZINC000441191349 289331923 /nfs/dbraw/zinc/33/19/23/289331923.db2.gz VQQARNBCQJEGGL-FRRDWIJNSA-N 2 2 280.372 -0.190 20 30 CBEDLP CCOCCCNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000170913291 329072419 /nfs/dbraw/zinc/07/24/19/329072419.db2.gz NMJKENZODZVRIG-LLVKDONJSA-N 2 2 258.366 -0.352 20 30 CBEDLP CCOCCCNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170913291 329072420 /nfs/dbraw/zinc/07/24/20/329072420.db2.gz NMJKENZODZVRIG-LLVKDONJSA-N 2 2 258.366 -0.352 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC000490740986 332111534 /nfs/dbraw/zinc/11/15/34/332111534.db2.gz SCXNUCISBOOOFZ-OLZOCXBDSA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC000490740986 332111535 /nfs/dbraw/zinc/11/15/35/332111535.db2.gz SCXNUCISBOOOFZ-OLZOCXBDSA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000490987067 332136493 /nfs/dbraw/zinc/13/64/93/332136493.db2.gz XJRWNNNAFMICOV-OAHLLOKOSA-N 2 2 292.427 -0.353 20 30 CBEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000490987067 332136494 /nfs/dbraw/zinc/13/64/94/332136494.db2.gz XJRWNNNAFMICOV-OAHLLOKOSA-N 2 2 292.427 -0.353 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)CCOCCO)CC1 ZINC000491265774 332177005 /nfs/dbraw/zinc/17/70/05/332177005.db2.gz MOMHXABLPREOLL-UHFFFAOYSA-N 2 2 297.399 -0.905 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CCOCCO)CC1 ZINC000491265774 332177006 /nfs/dbraw/zinc/17/70/06/332177006.db2.gz MOMHXABLPREOLL-UHFFFAOYSA-N 2 2 297.399 -0.905 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000491266571 332177165 /nfs/dbraw/zinc/17/71/65/332177165.db2.gz PQDHOUVFPMCNAO-CQSZACIVSA-N 2 2 280.416 -0.306 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000491266571 332177166 /nfs/dbraw/zinc/17/71/66/332177166.db2.gz PQDHOUVFPMCNAO-CQSZACIVSA-N 2 2 280.416 -0.306 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000491326815 332190804 /nfs/dbraw/zinc/19/08/04/332190804.db2.gz QMPOZIFUJPZYBG-AWEZNQCLSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000491326815 332190805 /nfs/dbraw/zinc/19/08/05/332190805.db2.gz QMPOZIFUJPZYBG-AWEZNQCLSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CCNC(=O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000491620882 332246495 /nfs/dbraw/zinc/24/64/95/332246495.db2.gz GICIRNPOADHVCO-UHFFFAOYSA-N 2 2 263.345 -0.285 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000491634107 332255545 /nfs/dbraw/zinc/25/55/45/332255545.db2.gz JITAMRYZWBOJEQ-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000491634107 332255546 /nfs/dbraw/zinc/25/55/46/332255546.db2.gz JITAMRYZWBOJEQ-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000491729551 332311843 /nfs/dbraw/zinc/31/18/43/332311843.db2.gz CVWFSTUCENEAGJ-CYBMUJFWSA-N 2 2 267.373 -0.438 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000491729551 332311845 /nfs/dbraw/zinc/31/18/45/332311845.db2.gz CVWFSTUCENEAGJ-CYBMUJFWSA-N 2 2 267.373 -0.438 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000491745234 332323028 /nfs/dbraw/zinc/32/30/28/332323028.db2.gz OOVHAGKGPNZJQF-CQSZACIVSA-N 2 2 278.400 -0.600 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@H]2C)CC1 ZINC000491745234 332323029 /nfs/dbraw/zinc/32/30/29/332323029.db2.gz OOVHAGKGPNZJQF-CQSZACIVSA-N 2 2 278.400 -0.600 20 30 CBEDLP C#CCNC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000491772289 332338645 /nfs/dbraw/zinc/33/86/45/332338645.db2.gz QDDWTBORLUGQBY-AWEZNQCLSA-N 2 2 281.400 -0.240 20 30 CBEDLP C#CCNC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000491772289 332338646 /nfs/dbraw/zinc/33/86/46/332338646.db2.gz QDDWTBORLUGQBY-AWEZNQCLSA-N 2 2 281.400 -0.240 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]2CCO)CC1 ZINC000491777300 332342616 /nfs/dbraw/zinc/34/26/16/332342616.db2.gz WXKHGIGEIWVKBX-CABCVRRESA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2CO)CC1 ZINC000305819513 333000119 /nfs/dbraw/zinc/00/01/19/333000119.db2.gz AYGBLSJSMVXNKA-HUUCEWRRSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)CCC[C@@H]2CO)CC1 ZINC000305819513 333000121 /nfs/dbraw/zinc/00/01/21/333000121.db2.gz AYGBLSJSMVXNKA-HUUCEWRRSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@](C)(CC)C(N)=O)CC1 ZINC000133278363 334033193 /nfs/dbraw/zinc/03/31/93/334033193.db2.gz FGDAXXBUQXYZIP-AWEZNQCLSA-N 2 2 280.372 -0.993 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261557661 334290581 /nfs/dbraw/zinc/29/05/81/334290581.db2.gz CSJSYQCKSBGZFZ-LBPRGKRZSA-N 2 2 254.334 -0.331 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261557661 334290582 /nfs/dbraw/zinc/29/05/82/334290582.db2.gz CSJSYQCKSBGZFZ-LBPRGKRZSA-N 2 2 254.334 -0.331 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000730098069 582149391 /nfs/dbraw/zinc/14/93/91/582149391.db2.gz TYAGTZLQLBVQGE-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000730098069 582149392 /nfs/dbraw/zinc/14/93/92/582149392.db2.gz TYAGTZLQLBVQGE-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C[C@H]1C[N@H+](C)CC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000752161411 582294609 /nfs/dbraw/zinc/29/46/09/582294609.db2.gz WUVSSYWLIKEUJY-NSHDSACASA-N 2 2 299.444 -0.280 20 30 CBEDLP C[C@H]1C[N@@H+](C)CC1=NNC(=S)NCC[NH+]1CCOCC1 ZINC000752161411 582294610 /nfs/dbraw/zinc/29/46/10/582294610.db2.gz WUVSSYWLIKEUJY-NSHDSACASA-N 2 2 299.444 -0.280 20 30 CBEDLP C#CCOCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000753241538 582296564 /nfs/dbraw/zinc/29/65/64/582296564.db2.gz OPKAIIKQSQJBGM-UHFFFAOYSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@H](C)C2)CC1 ZINC000754381463 582299289 /nfs/dbraw/zinc/29/92/89/582299289.db2.gz FEVDJWQTHIVOHK-CQSZACIVSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@H](C)C2)CC1 ZINC000754381463 582299290 /nfs/dbraw/zinc/29/92/90/582299290.db2.gz FEVDJWQTHIVOHK-CQSZACIVSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000754375056 582299302 /nfs/dbraw/zinc/29/93/02/582299302.db2.gz ZJSGLRAVQXKQPQ-OAHLLOKOSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000754375056 582299303 /nfs/dbraw/zinc/29/93/03/582299303.db2.gz ZJSGLRAVQXKQPQ-OAHLLOKOSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000767184078 582331902 /nfs/dbraw/zinc/33/19/02/582331902.db2.gz NFYVLOKUUIWZMX-AWEZNQCLSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)C2CC2)CC1 ZINC000771799736 582341624 /nfs/dbraw/zinc/34/16/24/582341624.db2.gz MEISMGFULUJDNF-AWEZNQCLSA-N 2 2 279.384 -0.486 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000794948364 582407254 /nfs/dbraw/zinc/40/72/54/582407254.db2.gz JODDCFQLQVWWSD-HUUCEWRRSA-N 2 2 290.411 -0.600 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000794948364 582407255 /nfs/dbraw/zinc/40/72/55/582407255.db2.gz JODDCFQLQVWWSD-HUUCEWRRSA-N 2 2 290.411 -0.600 20 30 CBEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000818986163 582524389 /nfs/dbraw/zinc/52/43/89/582524389.db2.gz HGKILTPDUXNJSL-RRFJBIMHSA-N 2 2 296.415 -0.354 20 30 CBEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000818986163 582524390 /nfs/dbraw/zinc/52/43/90/582524390.db2.gz HGKILTPDUXNJSL-RRFJBIMHSA-N 2 2 296.415 -0.354 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]3COC[C@@H]32)CC1 ZINC000839194009 583155019 /nfs/dbraw/zinc/15/50/19/583155019.db2.gz AOLCUYDBERXOIV-CABCVRRESA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]3COC[C@@H]32)CC1 ZINC000839194009 583155020 /nfs/dbraw/zinc/15/50/20/583155020.db2.gz AOLCUYDBERXOIV-CABCVRRESA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CCSCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000841832614 583174996 /nfs/dbraw/zinc/17/49/96/583174996.db2.gz QUPXOKWPYYBOFO-LLVKDONJSA-N 2 2 270.402 -0.363 20 30 CBEDLP C#CCSCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000841832614 583174998 /nfs/dbraw/zinc/17/49/98/583174998.db2.gz QUPXOKWPYYBOFO-LLVKDONJSA-N 2 2 270.402 -0.363 20 30 CBEDLP C#C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000841881432 583176270 /nfs/dbraw/zinc/17/62/70/583176270.db2.gz QYSTVPMZYSWOHF-RWMBFGLXSA-N 2 2 280.372 -0.549 20 30 CBEDLP C#C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000841881432 583176271 /nfs/dbraw/zinc/17/62/71/583176271.db2.gz QYSTVPMZYSWOHF-RWMBFGLXSA-N 2 2 280.372 -0.549 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000846617503 583377836 /nfs/dbraw/zinc/37/78/36/583377836.db2.gz RQYHYTUQLZTZJK-UHFFFAOYSA-N 2 2 299.415 -0.089 20 30 CBEDLP CNC(NCC1([NH+]2CCOCC2)CCOCC1)=[NH+]C ZINC000849040037 583470987 /nfs/dbraw/zinc/47/09/87/583470987.db2.gz GQQXRUJYQLYXLF-UHFFFAOYSA-N 2 2 270.377 -0.337 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)C2CCC2)CC1 ZINC000852320186 583542796 /nfs/dbraw/zinc/54/27/96/583542796.db2.gz GZYHVOIACDEZRE-AWEZNQCLSA-N 2 2 279.384 -0.486 20 30 CBEDLP C#CCC[N@@H+](CCOC)CC(=O)N1CC[NH+](C)CC1 ZINC000852751537 583551707 /nfs/dbraw/zinc/55/17/07/583551707.db2.gz HDWACSLZYNDQMK-UHFFFAOYSA-N 2 2 267.373 -0.268 20 30 CBEDLP C#CCC[N@H+](CCOC)CC(=O)N1CC[NH+](C)CC1 ZINC000852751537 583551708 /nfs/dbraw/zinc/55/17/08/583551708.db2.gz HDWACSLZYNDQMK-UHFFFAOYSA-N 2 2 267.373 -0.268 20 30 CBEDLP COCC[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852857542 583561887 /nfs/dbraw/zinc/56/18/87/583561887.db2.gz WVPFNXVWZCQALX-UHFFFAOYSA-N 2 2 279.384 -0.220 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853079331 583577611 /nfs/dbraw/zinc/57/76/11/583577611.db2.gz ZQEIMTRFMWPSKY-TZMCWYRMSA-N 2 2 279.384 -0.033 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853079329 583577627 /nfs/dbraw/zinc/57/76/27/583577627.db2.gz ZQEIMTRFMWPSKY-OCCSQVGLSA-N 2 2 279.384 -0.033 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853079325 583577684 /nfs/dbraw/zinc/57/76/84/583577684.db2.gz ZQEIMTRFMWPSKY-GXTWGEPZSA-N 2 2 279.384 -0.033 20 30 CBEDLP C[NH+]1CCC(C#N)(NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000865199858 583900592 /nfs/dbraw/zinc/90/05/92/583900592.db2.gz WEXZFMCIDKZEPC-IHWYPQMZSA-N 2 2 292.383 -0.021 20 30 CBEDLP C#CCC[NH+]1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000866598805 583925130 /nfs/dbraw/zinc/92/51/30/583925130.db2.gz QTJRKHSACFAVPJ-UHFFFAOYSA-N 2 2 287.429 -0.091 20 30 CBEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000876707445 584140461 /nfs/dbraw/zinc/14/04/61/584140461.db2.gz GPYAKLUAHBRZSU-JTQLQIEISA-N 2 2 261.753 -0.095 20 30 CBEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000876846289 584149190 /nfs/dbraw/zinc/14/91/90/584149190.db2.gz AOGZWMCLLZVGBP-JTQLQIEISA-N 2 2 261.753 -0.407 20 30 CBEDLP C[C@@H](C#N)OCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879356023 584233430 /nfs/dbraw/zinc/23/34/30/584233430.db2.gz VYUZIYBRGVEPBI-LBPRGKRZSA-N 2 2 268.361 -0.379 20 30 CBEDLP C[C@@H](C#N)OCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879356023 584233433 /nfs/dbraw/zinc/23/34/33/584233433.db2.gz VYUZIYBRGVEPBI-LBPRGKRZSA-N 2 2 268.361 -0.379 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000884196014 584365148 /nfs/dbraw/zinc/36/51/48/584365148.db2.gz FQMXHJQEJPSGCV-NWDGAFQWSA-N 2 2 283.372 -0.111 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCn1cc[nH+]c1C ZINC000884207039 584366969 /nfs/dbraw/zinc/36/69/69/584366969.db2.gz KUSHONCKPKKULO-NSHDSACASA-N 2 2 280.328 -0.246 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000884244687 584369549 /nfs/dbraw/zinc/36/95/49/584369549.db2.gz JPMDLMYEDNSSMP-AXFHLTTASA-N 2 2 269.345 -0.358 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000884247891 584369870 /nfs/dbraw/zinc/36/98/70/584369870.db2.gz HQWLXRRHPSBRCK-FZMZJTMJSA-N 2 2 283.372 -0.061 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[N@@H+](C)CC1 ZINC000884251294 584370095 /nfs/dbraw/zinc/37/00/95/584370095.db2.gz ACOODLROCVEGJY-NSHDSACASA-N 2 2 269.345 -0.403 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[N@H+](C)CC1 ZINC000884251294 584370098 /nfs/dbraw/zinc/37/00/98/584370098.db2.gz ACOODLROCVEGJY-NSHDSACASA-N 2 2 269.345 -0.403 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000884265343 584370988 /nfs/dbraw/zinc/37/09/88/584370988.db2.gz FVVXWSQCMISNBK-QWRGUYRKSA-N 2 2 269.345 -0.309 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000884272386 584371311 /nfs/dbraw/zinc/37/13/11/584371311.db2.gz WFRTYHLYDOFOGT-VWYCJHECSA-N 2 2 269.345 -0.358 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000884309937 584373467 /nfs/dbraw/zinc/37/34/67/584373467.db2.gz KAKOSPNFWVLWRT-NEPJUHHUSA-N 2 2 283.372 -0.014 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884457838 584382740 /nfs/dbraw/zinc/38/27/40/584382740.db2.gz NIDIDGOITWLAGL-AXFHLTTASA-N 2 2 267.329 -0.604 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888980429 584510383 /nfs/dbraw/zinc/51/03/83/584510383.db2.gz BQYZWUIWPZOPEA-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888980429 584510386 /nfs/dbraw/zinc/51/03/86/584510386.db2.gz BQYZWUIWPZOPEA-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C)CC[NH+](C)CC1 ZINC000888980429 584510387 /nfs/dbraw/zinc/51/03/87/584510387.db2.gz BQYZWUIWPZOPEA-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C)CC[NH+](C)CC1 ZINC000888980429 584510389 /nfs/dbraw/zinc/51/03/89/584510389.db2.gz BQYZWUIWPZOPEA-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900688672 584822013 /nfs/dbraw/zinc/82/20/13/584822013.db2.gz ARMZDYGYPQPNQK-UHFFFAOYSA-N 2 2 289.383 -0.164 20 30 CBEDLP C=C(CC[NH+](C)C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000900982560 584836588 /nfs/dbraw/zinc/83/65/88/584836588.db2.gz FZXLAIWUMVOGRW-AWEZNQCLSA-N 2 2 299.415 -0.354 20 30 CBEDLP C=C(CC[NH+](C)C)C(=O)N(CCO)CC[NH+]1CCOCC1 ZINC000901143763 584852189 /nfs/dbraw/zinc/85/21/89/584852189.db2.gz QJNRXJFWRHOMBF-UHFFFAOYSA-N 2 2 299.415 -0.353 20 30 CBEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941345299 613115298 /nfs/dbraw/zinc/11/52/98/613115298.db2.gz RIAILJPJCOZVHK-HNNXBMFYSA-N 2 2 290.411 -0.458 20 30 CBEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941345299 613115300 /nfs/dbraw/zinc/11/53/00/613115300.db2.gz RIAILJPJCOZVHK-HNNXBMFYSA-N 2 2 290.411 -0.458 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H](C)O)CC1 ZINC000981365558 613194798 /nfs/dbraw/zinc/19/47/98/613194798.db2.gz QTGHAKQUZLZBLR-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@H](C)O)CC1 ZINC000981365558 613194800 /nfs/dbraw/zinc/19/48/00/613194800.db2.gz QTGHAKQUZLZBLR-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@H](C)O)CC1 ZINC000981365558 613194802 /nfs/dbraw/zinc/19/48/02/613194802.db2.gz QTGHAKQUZLZBLR-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@H](C)O)CC1 ZINC000981365558 613194804 /nfs/dbraw/zinc/19/48/04/613194804.db2.gz QTGHAKQUZLZBLR-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972991919 613298346 /nfs/dbraw/zinc/29/83/46/613298346.db2.gz NTIDXEYICITHCU-STQMWFEESA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972991919 613298348 /nfs/dbraw/zinc/29/83/48/613298348.db2.gz NTIDXEYICITHCU-STQMWFEESA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991919 613298349 /nfs/dbraw/zinc/29/83/49/613298349.db2.gz NTIDXEYICITHCU-STQMWFEESA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991919 613298351 /nfs/dbraw/zinc/29/83/51/613298351.db2.gz NTIDXEYICITHCU-STQMWFEESA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000923572944 658335022 /nfs/dbraw/zinc/33/50/22/658335022.db2.gz HUFIVXXFICOLJY-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000923572944 658335029 /nfs/dbraw/zinc/33/50/29/658335029.db2.gz HUFIVXXFICOLJY-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000923572944 658335037 /nfs/dbraw/zinc/33/50/37/658335037.db2.gz HUFIVXXFICOLJY-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC000923572944 658335040 /nfs/dbraw/zinc/33/50/40/658335040.db2.gz HUFIVXXFICOLJY-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP [NH2+]=C(NCC[N@@H+]1CCCOCC1)N1CCOCC1 ZINC000187856279 656096139 /nfs/dbraw/zinc/09/61/39/656096139.db2.gz UCWMXMLKPWZZQM-UHFFFAOYSA-N 2 2 256.350 -0.644 20 30 CBEDLP [NH2+]=C(NCC[N@H+]1CCCOCC1)N1CCOCC1 ZINC000187856279 656096142 /nfs/dbraw/zinc/09/61/42/656096142.db2.gz UCWMXMLKPWZZQM-UHFFFAOYSA-N 2 2 256.350 -0.644 20 30 CBEDLP C#CC1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000708103890 656191816 /nfs/dbraw/zinc/19/18/16/656191816.db2.gz KZKSLBUDLMGPGG-ZDUSSCGKSA-N 2 2 270.373 -0.614 20 30 CBEDLP C#CC1(O)CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000708103890 656191821 /nfs/dbraw/zinc/19/18/21/656191821.db2.gz KZKSLBUDLMGPGG-ZDUSSCGKSA-N 2 2 270.373 -0.614 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001014779169 657382705 /nfs/dbraw/zinc/38/27/05/657382705.db2.gz JNUHKQIDCIRZCO-STQMWFEESA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001014779169 657382711 /nfs/dbraw/zinc/38/27/11/657382711.db2.gz JNUHKQIDCIRZCO-STQMWFEESA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001014779169 657382716 /nfs/dbraw/zinc/38/27/16/657382716.db2.gz JNUHKQIDCIRZCO-STQMWFEESA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO)C1 ZINC001014779169 657382722 /nfs/dbraw/zinc/38/27/22/657382722.db2.gz JNUHKQIDCIRZCO-STQMWFEESA-N 2 2 265.357 -0.733 20 30 CBEDLP C[NH+](C)CC#CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000913522326 657490069 /nfs/dbraw/zinc/49/00/69/657490069.db2.gz DRJUFOVJHWEEJT-AATRIKPKSA-N 2 2 265.357 -0.444 20 30 CBEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001016305751 657686794 /nfs/dbraw/zinc/68/67/94/657686794.db2.gz MQAHKSGRNIWTAI-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001016305751 657686811 /nfs/dbraw/zinc/68/68/11/657686811.db2.gz MQAHKSGRNIWTAI-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016305751 657686817 /nfs/dbraw/zinc/68/68/17/657686817.db2.gz MQAHKSGRNIWTAI-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016305751 657686832 /nfs/dbraw/zinc/68/68/32/657686832.db2.gz MQAHKSGRNIWTAI-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)CN2CC[NH+](CC)CC2)C1 ZINC000923574474 658336346 /nfs/dbraw/zinc/33/63/46/658336346.db2.gz SVBRWZYCPCPBTD-HNNXBMFYSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)CN2CC[NH+](CC)CC2)C1 ZINC000923574474 658336354 /nfs/dbraw/zinc/33/63/54/658336354.db2.gz SVBRWZYCPCPBTD-HNNXBMFYSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000923576199 658337450 /nfs/dbraw/zinc/33/74/50/658337450.db2.gz PJZQGQGFFNELFM-GJZGRUSLSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000923576199 658337453 /nfs/dbraw/zinc/33/74/53/658337453.db2.gz PJZQGQGFFNELFM-GJZGRUSLSA-N 2 2 292.427 -0.164 20 30 CBEDLP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076837178 805636170 /nfs/dbraw/zinc/63/61/70/805636170.db2.gz RANGSUOMGGSOAR-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076837178 805636177 /nfs/dbraw/zinc/63/61/77/805636177.db2.gz RANGSUOMGGSOAR-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076837178 805636180 /nfs/dbraw/zinc/63/61/80/805636180.db2.gz RANGSUOMGGSOAR-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076837178 805636183 /nfs/dbraw/zinc/63/61/83/805636183.db2.gz RANGSUOMGGSOAR-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076835649 805637424 /nfs/dbraw/zinc/63/74/24/805637424.db2.gz GNBDXGCSXUHDBM-UPJWGTAASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076835649 805637428 /nfs/dbraw/zinc/63/74/28/805637428.db2.gz GNBDXGCSXUHDBM-UPJWGTAASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076835649 805637432 /nfs/dbraw/zinc/63/74/32/805637432.db2.gz GNBDXGCSXUHDBM-UPJWGTAASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076835649 805637436 /nfs/dbraw/zinc/63/74/36/805637436.db2.gz GNBDXGCSXUHDBM-UPJWGTAASA-N 2 2 283.372 -0.946 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001076986182 805669533 /nfs/dbraw/zinc/66/95/33/805669533.db2.gz OEFBHAIBHBPGGV-MGPQQGTHSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076986182 805669538 /nfs/dbraw/zinc/66/95/38/805669538.db2.gz OEFBHAIBHBPGGV-MGPQQGTHSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001076986182 805669542 /nfs/dbraw/zinc/66/95/42/805669542.db2.gz OEFBHAIBHBPGGV-MGPQQGTHSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001076986182 805669545 /nfs/dbraw/zinc/66/95/45/805669545.db2.gz OEFBHAIBHBPGGV-MGPQQGTHSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007701 805671148 /nfs/dbraw/zinc/67/11/48/805671148.db2.gz YNQAMWSOMJCXFS-MGPQQGTHSA-N 2 2 277.368 -0.877 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077007701 805671155 /nfs/dbraw/zinc/67/11/55/805671155.db2.gz YNQAMWSOMJCXFS-MGPQQGTHSA-N 2 2 277.368 -0.877 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001077091342 805684256 /nfs/dbraw/zinc/68/42/56/805684256.db2.gz WHUODROEISMFKG-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001077091342 805684274 /nfs/dbraw/zinc/68/42/74/805684274.db2.gz WHUODROEISMFKG-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001077091342 805684279 /nfs/dbraw/zinc/68/42/79/805684279.db2.gz WHUODROEISMFKG-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001077091342 805684284 /nfs/dbraw/zinc/68/42/84/805684284.db2.gz WHUODROEISMFKG-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077675500 805768301 /nfs/dbraw/zinc/76/83/01/805768301.db2.gz PERYPDZDZKTPJW-JHJVBQTASA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001077675500 805768306 /nfs/dbraw/zinc/76/83/06/805768306.db2.gz PERYPDZDZKTPJW-JHJVBQTASA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675500 805768313 /nfs/dbraw/zinc/76/83/13/805768313.db2.gz PERYPDZDZKTPJW-JHJVBQTASA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001077675500 805768316 /nfs/dbraw/zinc/76/83/16/805768316.db2.gz PERYPDZDZKTPJW-JHJVBQTASA-N 2 2 265.357 -0.735 20 30 CBEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078083609 805831638 /nfs/dbraw/zinc/83/16/38/805831638.db2.gz YIHJZIWGMMICFD-CHWSQXEVSA-N 2 2 278.356 -0.002 20 30 CBEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078083609 805831646 /nfs/dbraw/zinc/83/16/46/805831646.db2.gz YIHJZIWGMMICFD-CHWSQXEVSA-N 2 2 278.356 -0.002 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001078228602 805858149 /nfs/dbraw/zinc/85/81/49/805858149.db2.gz XCPFUQJKDAJDFL-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001078228602 805858159 /nfs/dbraw/zinc/85/81/59/805858159.db2.gz XCPFUQJKDAJDFL-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001078228602 805858169 /nfs/dbraw/zinc/85/81/69/805858169.db2.gz XCPFUQJKDAJDFL-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001078228602 805858179 /nfs/dbraw/zinc/85/81/79/805858179.db2.gz XCPFUQJKDAJDFL-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001078209998 805860148 /nfs/dbraw/zinc/86/01/48/805860148.db2.gz QPTMFYXTTIJAJF-UPJWGTAASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001078209998 805860155 /nfs/dbraw/zinc/86/01/55/805860155.db2.gz QPTMFYXTTIJAJF-UPJWGTAASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078209998 805860165 /nfs/dbraw/zinc/86/01/65/805860165.db2.gz QPTMFYXTTIJAJF-UPJWGTAASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078209998 805860174 /nfs/dbraw/zinc/86/01/74/805860174.db2.gz QPTMFYXTTIJAJF-UPJWGTAASA-N 2 2 283.372 -0.946 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001079879390 805949990 /nfs/dbraw/zinc/94/99/90/805949990.db2.gz PLYRIQCGKCGDPL-MCIONIFRSA-N 2 2 279.384 -0.487 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001079879390 805949999 /nfs/dbraw/zinc/94/99/99/805949999.db2.gz PLYRIQCGKCGDPL-MCIONIFRSA-N 2 2 279.384 -0.487 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1C ZINC001079879390 805950010 /nfs/dbraw/zinc/95/00/10/805950010.db2.gz PLYRIQCGKCGDPL-MCIONIFRSA-N 2 2 279.384 -0.487 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1C ZINC001079879390 805950014 /nfs/dbraw/zinc/95/00/14/805950014.db2.gz PLYRIQCGKCGDPL-MCIONIFRSA-N 2 2 279.384 -0.487 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248053 806242704 /nfs/dbraw/zinc/24/27/04/806242704.db2.gz PQIKHECUDOCPBD-SOUVJXGZSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083248053 806242709 /nfs/dbraw/zinc/24/27/09/806242709.db2.gz PQIKHECUDOCPBD-SOUVJXGZSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248053 806242714 /nfs/dbraw/zinc/24/27/14/806242714.db2.gz PQIKHECUDOCPBD-SOUVJXGZSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248053 806242721 /nfs/dbraw/zinc/24/27/21/806242721.db2.gz PQIKHECUDOCPBD-SOUVJXGZSA-N 2 2 291.395 -0.127 20 30 CBEDLP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385443 806296189 /nfs/dbraw/zinc/29/61/89/806296189.db2.gz ODZWAGABYSHSFD-AGIUHOORSA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385443 806296196 /nfs/dbraw/zinc/29/61/96/806296196.db2.gz ODZWAGABYSHSFD-AGIUHOORSA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385443 806296204 /nfs/dbraw/zinc/29/62/04/806296204.db2.gz ODZWAGABYSHSFD-AGIUHOORSA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385443 806296212 /nfs/dbraw/zinc/29/62/12/806296212.db2.gz ODZWAGABYSHSFD-AGIUHOORSA-N 2 2 283.372 -0.946 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572031 806366138 /nfs/dbraw/zinc/36/61/38/806366138.db2.gz XNCROCFRGDMSGY-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572031 806366145 /nfs/dbraw/zinc/36/61/45/806366145.db2.gz XNCROCFRGDMSGY-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083572031 806366154 /nfs/dbraw/zinc/36/61/54/806366154.db2.gz XNCROCFRGDMSGY-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083572031 806366163 /nfs/dbraw/zinc/36/61/63/806366163.db2.gz XNCROCFRGDMSGY-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083560304 806368643 /nfs/dbraw/zinc/36/86/43/806368643.db2.gz ZNPGYNYOSQOIHV-KGLIPLIRSA-N 2 2 291.395 -0.343 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](O)C1 ZINC001083560304 806368647 /nfs/dbraw/zinc/36/86/47/806368647.db2.gz ZNPGYNYOSQOIHV-KGLIPLIRSA-N 2 2 291.395 -0.343 20 30 CBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083573564 806370751 /nfs/dbraw/zinc/37/07/51/806370751.db2.gz NAVLGVBAVJMOSO-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083573564 806370760 /nfs/dbraw/zinc/37/07/60/806370760.db2.gz NAVLGVBAVJMOSO-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573564 806370770 /nfs/dbraw/zinc/37/07/70/806370770.db2.gz NAVLGVBAVJMOSO-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083573564 806370777 /nfs/dbraw/zinc/37/07/77/806370777.db2.gz NAVLGVBAVJMOSO-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083606682 806381077 /nfs/dbraw/zinc/38/10/77/806381077.db2.gz KJHBQOPMGBWUAV-KGLIPLIRSA-N 2 2 284.319 -0.258 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083606682 806381085 /nfs/dbraw/zinc/38/10/85/806381085.db2.gz KJHBQOPMGBWUAV-KGLIPLIRSA-N 2 2 284.319 -0.258 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601799 806381368 /nfs/dbraw/zinc/38/13/68/806381368.db2.gz NPHLATVFSBCMLL-OLZOCXBDSA-N 2 2 277.368 -0.591 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001083601799 806381376 /nfs/dbraw/zinc/38/13/76/806381376.db2.gz NPHLATVFSBCMLL-OLZOCXBDSA-N 2 2 277.368 -0.591 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780233 806432104 /nfs/dbraw/zinc/43/21/04/806432104.db2.gz OZBMRHXQEUPSSF-UPJWGTAASA-N 2 2 267.373 -0.325 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780233 806432109 /nfs/dbraw/zinc/43/21/09/806432109.db2.gz OZBMRHXQEUPSSF-UPJWGTAASA-N 2 2 267.373 -0.325 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780233 806432113 /nfs/dbraw/zinc/43/21/13/806432113.db2.gz OZBMRHXQEUPSSF-UPJWGTAASA-N 2 2 267.373 -0.325 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083780233 806432116 /nfs/dbraw/zinc/43/21/16/806432116.db2.gz OZBMRHXQEUPSSF-UPJWGTAASA-N 2 2 267.373 -0.325 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778520 806432595 /nfs/dbraw/zinc/43/25/95/806432595.db2.gz PERYPDZDZKTPJW-XQQFMLRXSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778520 806432600 /nfs/dbraw/zinc/43/26/00/806432600.db2.gz PERYPDZDZKTPJW-XQQFMLRXSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778520 806432604 /nfs/dbraw/zinc/43/26/04/806432604.db2.gz PERYPDZDZKTPJW-XQQFMLRXSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778520 806432607 /nfs/dbraw/zinc/43/26/07/806432607.db2.gz PERYPDZDZKTPJW-XQQFMLRXSA-N 2 2 265.357 -0.735 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997643 806473047 /nfs/dbraw/zinc/47/30/47/806473047.db2.gz GXVPAALNBSFWNK-OLZOCXBDSA-N 2 2 278.356 -0.002 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997643 806473053 /nfs/dbraw/zinc/47/30/53/806473053.db2.gz GXVPAALNBSFWNK-OLZOCXBDSA-N 2 2 278.356 -0.002 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084723759 806533540 /nfs/dbraw/zinc/53/35/40/806533540.db2.gz XHGVEHDZMQYDRT-HUUCEWRRSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084723759 806533551 /nfs/dbraw/zinc/53/35/51/806533551.db2.gz XHGVEHDZMQYDRT-HUUCEWRRSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCO ZINC001085646780 806588759 /nfs/dbraw/zinc/58/87/59/806588759.db2.gz PRAWXOPMERCGLF-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCO ZINC001085646780 806588764 /nfs/dbraw/zinc/58/87/64/806588764.db2.gz PRAWXOPMERCGLF-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCO ZINC001085646780 806588768 /nfs/dbraw/zinc/58/87/68/806588768.db2.gz PRAWXOPMERCGLF-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCO ZINC001085646780 806588772 /nfs/dbraw/zinc/58/87/72/806588772.db2.gz PRAWXOPMERCGLF-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001023112704 798884482 /nfs/dbraw/zinc/88/44/82/798884482.db2.gz PXQDRFVISZCXFL-ZNMIVQPWSA-N 2 2 291.395 -0.033 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001030463490 799320526 /nfs/dbraw/zinc/32/05/26/799320526.db2.gz OMXQZPMJMMKFSZ-HIFRSBDPSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001030463490 799320533 /nfs/dbraw/zinc/32/05/33/799320533.db2.gz OMXQZPMJMMKFSZ-HIFRSBDPSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001031083572 799437194 /nfs/dbraw/zinc/43/71/94/799437194.db2.gz LUFNGFKQHNZAMD-UHFFFAOYSA-N 2 2 289.383 -0.118 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H](C)O)C2)CC1 ZINC001031434849 799488774 /nfs/dbraw/zinc/48/87/74/799488774.db2.gz HLJNBMFYCKMORF-GFCCVEGCSA-N 2 2 279.384 -0.487 20 30 CBEDLP C=CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031593250 799515393 /nfs/dbraw/zinc/51/53/93/799515393.db2.gz AXGCNXYBJJLQGC-GFCCVEGCSA-N 2 2 253.346 -0.449 20 30 CBEDLP C=CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031593250 799515396 /nfs/dbraw/zinc/51/53/96/799515396.db2.gz AXGCNXYBJJLQGC-GFCCVEGCSA-N 2 2 253.346 -0.449 20 30 CBEDLP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031596890 799516345 /nfs/dbraw/zinc/51/63/45/799516345.db2.gz RKWPBNLFHMUQJX-CYBMUJFWSA-N 2 2 265.357 -0.612 20 30 CBEDLP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031596890 799516350 /nfs/dbraw/zinc/51/63/50/799516350.db2.gz RKWPBNLFHMUQJX-CYBMUJFWSA-N 2 2 265.357 -0.612 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001032837218 799678009 /nfs/dbraw/zinc/67/80/09/799678009.db2.gz NQGNVQGTBFWEPG-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001032837218 799678012 /nfs/dbraw/zinc/67/80/12/799678012.db2.gz NQGNVQGTBFWEPG-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](C)O)C1 ZINC001032837218 799678014 /nfs/dbraw/zinc/67/80/14/799678014.db2.gz NQGNVQGTBFWEPG-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](C)O)C1 ZINC001032837218 799678018 /nfs/dbraw/zinc/67/80/18/799678018.db2.gz NQGNVQGTBFWEPG-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032981426 799699157 /nfs/dbraw/zinc/69/91/57/799699157.db2.gz SBKGWOZQIFKUCO-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032981426 799699161 /nfs/dbraw/zinc/69/91/61/799699161.db2.gz SBKGWOZQIFKUCO-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032981426 799699164 /nfs/dbraw/zinc/69/91/64/799699164.db2.gz SBKGWOZQIFKUCO-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032981426 799699167 /nfs/dbraw/zinc/69/91/67/799699167.db2.gz SBKGWOZQIFKUCO-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033782086 799788883 /nfs/dbraw/zinc/78/88/83/799788883.db2.gz ZCFZAZNBPDXSIN-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033782086 799788889 /nfs/dbraw/zinc/78/88/89/799788889.db2.gz ZCFZAZNBPDXSIN-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001033782086 799788891 /nfs/dbraw/zinc/78/88/91/799788891.db2.gz ZCFZAZNBPDXSIN-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001033782086 799788894 /nfs/dbraw/zinc/78/88/94/799788894.db2.gz ZCFZAZNBPDXSIN-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033782085 799789267 /nfs/dbraw/zinc/78/92/67/799789267.db2.gz ZCFZAZNBPDXSIN-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033782085 799789271 /nfs/dbraw/zinc/78/92/71/799789271.db2.gz ZCFZAZNBPDXSIN-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001033782085 799789275 /nfs/dbraw/zinc/78/92/75/799789275.db2.gz ZCFZAZNBPDXSIN-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001033782085 799789278 /nfs/dbraw/zinc/78/92/78/799789278.db2.gz ZCFZAZNBPDXSIN-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038142796 800063287 /nfs/dbraw/zinc/06/32/87/800063287.db2.gz QEXRRCCGSXSKLC-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038142796 800063293 /nfs/dbraw/zinc/06/32/93/800063293.db2.gz QEXRRCCGSXSKLC-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038142796 800063296 /nfs/dbraw/zinc/06/32/96/800063296.db2.gz QEXRRCCGSXSKLC-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038142796 800063304 /nfs/dbraw/zinc/06/33/04/800063304.db2.gz QEXRRCCGSXSKLC-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038537813 800126992 /nfs/dbraw/zinc/12/69/92/800126992.db2.gz TYQKLJIGFJJPMU-MYMJJRTCSA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038537813 800126994 /nfs/dbraw/zinc/12/69/94/800126994.db2.gz TYQKLJIGFJJPMU-MYMJJRTCSA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038537813 800127001 /nfs/dbraw/zinc/12/70/01/800127001.db2.gz TYQKLJIGFJJPMU-MYMJJRTCSA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038537813 800127006 /nfs/dbraw/zinc/12/70/06/800127006.db2.gz TYQKLJIGFJJPMU-MYMJJRTCSA-N 2 2 289.379 -0.327 20 30 CBEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039041607 801283723 /nfs/dbraw/zinc/28/37/23/801283723.db2.gz ZAOGDHPHXYYMBM-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039041607 801283728 /nfs/dbraw/zinc/28/37/28/801283728.db2.gz ZAOGDHPHXYYMBM-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039041607 801283734 /nfs/dbraw/zinc/28/37/34/801283734.db2.gz ZAOGDHPHXYYMBM-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039041607 801283737 /nfs/dbraw/zinc/28/37/37/801283737.db2.gz ZAOGDHPHXYYMBM-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039039906 801284769 /nfs/dbraw/zinc/28/47/69/801284769.db2.gz QHUFULCYAPHIAS-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039039906 801284776 /nfs/dbraw/zinc/28/47/76/801284776.db2.gz QHUFULCYAPHIAS-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039039906 801284783 /nfs/dbraw/zinc/28/47/83/801284783.db2.gz QHUFULCYAPHIAS-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039039906 801284787 /nfs/dbraw/zinc/28/47/87/801284787.db2.gz QHUFULCYAPHIAS-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](C[C@H](C)O)C2)CC1 ZINC001044335996 801642756 /nfs/dbraw/zinc/64/27/56/801642756.db2.gz UKUMLOITGBEACU-ZDUSSCGKSA-N 2 2 293.411 -0.145 20 30 CBEDLP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046848682 801798615 /nfs/dbraw/zinc/79/86/15/801798615.db2.gz AWLWGAYGZLKQJF-UKRRQHHQSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046848682 801798621 /nfs/dbraw/zinc/79/86/21/801798621.db2.gz AWLWGAYGZLKQJF-UKRRQHHQSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046848682 801798624 /nfs/dbraw/zinc/79/86/24/801798624.db2.gz AWLWGAYGZLKQJF-UKRRQHHQSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046848682 801798629 /nfs/dbraw/zinc/79/86/29/801798629.db2.gz AWLWGAYGZLKQJF-UKRRQHHQSA-N 2 2 279.384 -0.079 20 30 CBEDLP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001047427459 801868916 /nfs/dbraw/zinc/86/89/16/801868916.db2.gz SGWLAHFAJZSOMF-ZOBORPQBSA-N 2 2 297.399 -0.605 20 30 CBEDLP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001047427459 801868921 /nfs/dbraw/zinc/86/89/21/801868921.db2.gz SGWLAHFAJZSOMF-ZOBORPQBSA-N 2 2 297.399 -0.605 20 30 CBEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047427459 801868929 /nfs/dbraw/zinc/86/89/29/801868929.db2.gz SGWLAHFAJZSOMF-ZOBORPQBSA-N 2 2 297.399 -0.605 20 30 CBEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047427459 801868938 /nfs/dbraw/zinc/86/89/38/801868938.db2.gz SGWLAHFAJZSOMF-ZOBORPQBSA-N 2 2 297.399 -0.605 20 30 CBEDLP 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ZINC001160652366 815653533 /nfs/dbraw/zinc/65/35/33/815653533.db2.gz CAIBHSMMBUZDCJ-OLZOCXBDSA-N 2 2 273.340 -0.417 20 30 CBEDLP COC(=O)C1(C#N)CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001161492029 815761836 /nfs/dbraw/zinc/76/18/36/815761836.db2.gz LYBMYUUXTJJTJK-UHFFFAOYSA-N 2 2 294.355 -0.627 20 30 CBEDLP CN(CC[NH+]1CCOCC1)C(=O)NCC#CC[NH+](C)C ZINC001313438309 816866144 /nfs/dbraw/zinc/86/61/44/816866144.db2.gz KCTHRFTUXZNDDY-UHFFFAOYSA-N 2 2 282.388 -0.475 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001316605162 816868878 /nfs/dbraw/zinc/86/88/78/816868878.db2.gz WNIQNCBWTFXVSL-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001316605162 816868885 /nfs/dbraw/zinc/86/88/85/816868885.db2.gz WNIQNCBWTFXVSL-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001316795379 816877977 /nfs/dbraw/zinc/87/79/77/816877977.db2.gz OHJWKXVRBYGNBY-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001316795379 816877991 /nfs/dbraw/zinc/87/79/91/816877991.db2.gz OHJWKXVRBYGNBY-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317817245 817051615 /nfs/dbraw/zinc/05/16/15/817051615.db2.gz YWESCTJMTJHJOE-AWEZNQCLSA-N 2 2 293.415 -0.320 20 30 CBEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001317817245 817051622 /nfs/dbraw/zinc/05/16/22/817051622.db2.gz YWESCTJMTJHJOE-AWEZNQCLSA-N 2 2 293.415 -0.320 20 30 CBEDLP C=CCOCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001318087088 817073133 /nfs/dbraw/zinc/07/31/33/817073133.db2.gz LJTLLCPDMMALIU-LBPRGKRZSA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CCOCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001318087088 817073140 /nfs/dbraw/zinc/07/31/40/817073140.db2.gz LJTLLCPDMMALIU-LBPRGKRZSA-N 2 2 267.373 -0.059 20 30 CBEDLP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001319539351 817217247 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C#CC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176675608 820456297 /nfs/dbraw/zinc/45/62/97/820456297.db2.gz KPLUCOJXKDSNBP-AWEZNQCLSA-N 2 2 279.384 -0.174 20 30 CBEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178417797 820581129 /nfs/dbraw/zinc/58/11/29/820581129.db2.gz DQAHKFZQLKUSDM-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178417797 820581138 /nfs/dbraw/zinc/58/11/38/820581138.db2.gz DQAHKFZQLKUSDM-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001281165962 828405876 /nfs/dbraw/zinc/40/58/76/828405876.db2.gz AMULWCRCJASJNE-HNNXBMFYSA-N 2 2 290.367 -0.081 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001284447411 828597106 /nfs/dbraw/zinc/59/71/06/828597106.db2.gz UMRIFWRMULGPJP-AAEUAGOBSA-N 2 2 278.356 -0.370 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001284447411 828597110 /nfs/dbraw/zinc/59/71/10/828597110.db2.gz UMRIFWRMULGPJP-AAEUAGOBSA-N 2 2 278.356 -0.370 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193455382 824028741 /nfs/dbraw/zinc/02/87/41/824028741.db2.gz AYUNMGXFROKVPA-MGPQQGTHSA-N 2 2 299.390 -0.149 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193455382 824028744 /nfs/dbraw/zinc/02/87/44/824028744.db2.gz AYUNMGXFROKVPA-MGPQQGTHSA-N 2 2 299.390 -0.149 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196276472 824156341 /nfs/dbraw/zinc/15/63/41/824156341.db2.gz QRRMXPKKHZBFBN-FRRDWIJNSA-N 2 2 267.373 -0.489 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196276472 824156343 /nfs/dbraw/zinc/15/63/43/824156343.db2.gz QRRMXPKKHZBFBN-FRRDWIJNSA-N 2 2 267.373 -0.489 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196945803 824173091 /nfs/dbraw/zinc/17/30/91/824173091.db2.gz FUBSOPXEAYNKSZ-ZIAGYGMSSA-N 2 2 297.399 -0.554 20 30 CBEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671059 824235340 /nfs/dbraw/zinc/23/53/40/824235340.db2.gz BLTHBQAIUUDMSH-ZIAGYGMSSA-N 2 2 297.399 -0.554 20 30 CBEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198671059 824235349 /nfs/dbraw/zinc/23/53/49/824235349.db2.gz BLTHBQAIUUDMSH-ZIAGYGMSSA-N 2 2 297.399 -0.554 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213578023 824512571 /nfs/dbraw/zinc/51/25/71/824512571.db2.gz BZONLOZODHHTFM-ZIAGYGMSSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213578023 824512573 /nfs/dbraw/zinc/51/25/73/824512573.db2.gz BZONLOZODHHTFM-ZIAGYGMSSA-N 2 2 297.399 -0.290 20 30 CBEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217001798 824550447 /nfs/dbraw/zinc/55/04/47/824550447.db2.gz ZAGGSBGPLVWPFA-ZIAGYGMSSA-N 2 2 290.367 -0.031 20 30 CBEDLP C#Cc1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)ccn1 ZINC001218523632 824582148 /nfs/dbraw/zinc/58/21/48/824582148.db2.gz HJALLXVFZZBLNA-BZPMIXESSA-N 2 2 256.309 -0.355 20 30 CBEDLP N#Cc1c2c(sc1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C[NH2+]CC2 ZINC001218552642 824590572 /nfs/dbraw/zinc/59/05/72/824590572.db2.gz JULHGGPENJVNJD-XVKPBYJWSA-N 3 2 291.380 -0.107 20 30 CBEDLP N#Cc1c(N)nn(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c1N ZINC001218660699 824618770 /nfs/dbraw/zinc/61/87/70/824618770.db2.gz QQDGLQPGTFQWNW-JTQLQIEISA-N 2 2 285.311 -0.434 20 30 CBEDLP Cn1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(C#N)n1 ZINC001218667936 824620082 /nfs/dbraw/zinc/62/00/82/824620082.db2.gz MLWIZLOOXKVXHS-MRVPVSSYSA-N 2 2 259.273 -0.477 20 30 CBEDLP N#Cc1ccnnc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218702377 824624910 /nfs/dbraw/zinc/62/49/10/824624910.db2.gz SBBGLUVHRVRDKL-UHFFFAOYSA-N 2 2 260.301 -0.372 20 30 CBEDLP COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219131756 824666028 /nfs/dbraw/zinc/66/60/28/824666028.db2.gz IFJKSALUIKAYDY-PWSUYJOCSA-N 2 2 288.307 -0.027 20 30 CBEDLP N#CC1(CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)CCC1 ZINC001219632821 824865301 /nfs/dbraw/zinc/86/53/01/824865301.db2.gz QUOUUGTYUVPSJI-GFCCVEGCSA-N 2 2 279.388 -0.453 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219732600 824885920 /nfs/dbraw/zinc/88/59/20/824885920.db2.gz ZQXPQVRIFDBMBC-XQQFMLRXSA-N 2 2 285.363 -0.539 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219732600 824885927 /nfs/dbraw/zinc/88/59/27/824885927.db2.gz ZQXPQVRIFDBMBC-XQQFMLRXSA-N 2 2 285.363 -0.539 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297040 825009886 /nfs/dbraw/zinc/00/98/86/825009886.db2.gz IIZUMGKTMPDXBC-FRRDWIJNSA-N 2 2 267.373 -0.633 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001220297040 825009894 /nfs/dbraw/zinc/00/98/94/825009894.db2.gz IIZUMGKTMPDXBC-FRRDWIJNSA-N 2 2 267.373 -0.633 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220380118 825025784 /nfs/dbraw/zinc/02/57/84/825025784.db2.gz QRRMXPKKHZBFBN-AGIUHOORSA-N 2 2 267.373 -0.489 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220380118 825025789 /nfs/dbraw/zinc/02/57/89/825025789.db2.gz QRRMXPKKHZBFBN-AGIUHOORSA-N 2 2 267.373 -0.489 20 30 CBEDLP N#Cc1cnc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)s1 ZINC001220871869 825117654 /nfs/dbraw/zinc/11/76/54/825117654.db2.gz ARJKJCPGMUFQEK-VIFPVBQESA-N 2 2 276.325 -0.076 20 30 CBEDLP N#Cc1cnc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)s1 ZINC001220872286 825118304 /nfs/dbraw/zinc/11/83/04/825118304.db2.gz SCLLUTMQQJNXGP-PELKAZGASA-N 2 2 277.353 -0.418 20 30 CBEDLP C=CC[C@@](C)(NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)C(=O)OC ZINC001221382511 825180072 /nfs/dbraw/zinc/18/00/72/825180072.db2.gz UMUCYQZIMLKQEE-HONMWMINSA-N 2 2 281.356 -0.438 20 30 CBEDLP CN(C)c1[nH+]cc(CNC(=O)NCC#CC[NH+](C)C)n1C ZINC001222945199 825223487 /nfs/dbraw/zinc/22/34/87/825223487.db2.gz YKLXEDGNLCCEGW-UHFFFAOYSA-N 2 2 292.387 -0.150 20 30 CBEDLP C=C[C@](C)(O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252582127 825876128 /nfs/dbraw/zinc/87/61/28/825876128.db2.gz ONOGTNUCYOSCCR-ZDUSSCGKSA-N 2 2 266.345 -0.015 20 30 CBEDLP C=C[C@](C)(O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252582127 825876138 /nfs/dbraw/zinc/87/61/38/825876138.db2.gz ONOGTNUCYOSCCR-ZDUSSCGKSA-N 2 2 266.345 -0.015 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265289953 826875230 /nfs/dbraw/zinc/87/52/30/826875230.db2.gz GEZXXOFPJRZNLV-CHWSQXEVSA-N 2 2 296.415 -0.181 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265289953 826875241 /nfs/dbraw/zinc/87/52/41/826875241.db2.gz GEZXXOFPJRZNLV-CHWSQXEVSA-N 2 2 296.415 -0.181 20 30 CBEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001265297706 826875980 /nfs/dbraw/zinc/87/59/80/826875980.db2.gz WMBRFLFBHHZHNH-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001265297706 826875987 /nfs/dbraw/zinc/87/59/87/826875987.db2.gz WMBRFLFBHHZHNH-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265297706 826875995 /nfs/dbraw/zinc/87/59/95/826875995.db2.gz WMBRFLFBHHZHNH-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265297706 826876004 /nfs/dbraw/zinc/87/60/04/826876004.db2.gz WMBRFLFBHHZHNH-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP COCC#CC[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266265597 826967544 /nfs/dbraw/zinc/96/75/44/826967544.db2.gz JKUMFJYPYGJRNV-CYBMUJFWSA-N 2 2 283.372 -0.985 20 30 CBEDLP COCC#CC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266265597 826967546 /nfs/dbraw/zinc/96/75/46/826967546.db2.gz JKUMFJYPYGJRNV-CYBMUJFWSA-N 2 2 283.372 -0.985 20 30 CBEDLP COCC#CC[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266265597 826967549 /nfs/dbraw/zinc/96/75/49/826967549.db2.gz JKUMFJYPYGJRNV-CYBMUJFWSA-N 2 2 283.372 -0.985 20 30 CBEDLP COCC#CC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266265597 826967551 /nfs/dbraw/zinc/96/75/51/826967551.db2.gz JKUMFJYPYGJRNV-CYBMUJFWSA-N 2 2 283.372 -0.985 20 30 CBEDLP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001266281735 826971668 /nfs/dbraw/zinc/97/16/68/826971668.db2.gz YROCTTLONMFDFA-CQSZACIVSA-N 2 2 278.400 -0.552 20 30 CBEDLP C#CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001266281735 826971672 /nfs/dbraw/zinc/97/16/72/826971672.db2.gz YROCTTLONMFDFA-CQSZACIVSA-N 2 2 278.400 -0.552 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266350044 826989234 /nfs/dbraw/zinc/98/92/34/826989234.db2.gz FCNVXMCIJCITIJ-CQSZACIVSA-N 2 2 296.415 -0.630 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266350044 826989237 /nfs/dbraw/zinc/98/92/37/826989237.db2.gz FCNVXMCIJCITIJ-CQSZACIVSA-N 2 2 296.415 -0.630 20 30 CBEDLP CC#CC[NH+](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001266360310 826992673 /nfs/dbraw/zinc/99/26/73/826992673.db2.gz WDXVETGRWCCQRD-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP CC#CC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001266360310 826992676 /nfs/dbraw/zinc/99/26/76/826992676.db2.gz WDXVETGRWCCQRD-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP CC#CC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266360310 826992679 /nfs/dbraw/zinc/99/26/79/826992679.db2.gz WDXVETGRWCCQRD-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP CC#CC[N@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001266360310 826992682 /nfs/dbraw/zinc/99/26/82/826992682.db2.gz WDXVETGRWCCQRD-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CCNC(=O)C[NH2+]CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001267018012 827107654 /nfs/dbraw/zinc/10/76/54/827107654.db2.gz TYULSRLJZRCVES-UHFFFAOYSA-N 2 2 291.355 -0.942 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267732541 827210220 /nfs/dbraw/zinc/21/02/20/827210220.db2.gz SZIVHWUDNPXDMR-QWHCGFSZSA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267732541 827210229 /nfs/dbraw/zinc/21/02/29/827210229.db2.gz SZIVHWUDNPXDMR-QWHCGFSZSA-N 2 2 294.399 -0.734 20 30 CBEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268005717 827240825 /nfs/dbraw/zinc/24/08/25/827240825.db2.gz XLBKFARFLAQDQL-LBPRGKRZSA-N 2 2 278.356 -0.056 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268329655 827304478 /nfs/dbraw/zinc/30/44/78/827304478.db2.gz WXNJGVWABWQJDO-PWSUYJOCSA-N 2 2 266.345 -0.159 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268329655 827304487 /nfs/dbraw/zinc/30/44/87/827304487.db2.gz WXNJGVWABWQJDO-PWSUYJOCSA-N 2 2 266.345 -0.159 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268329653 827305320 /nfs/dbraw/zinc/30/53/20/827305320.db2.gz WXNJGVWABWQJDO-JQWIXIFHSA-N 2 2 266.345 -0.159 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268329653 827305329 /nfs/dbraw/zinc/30/53/29/827305329.db2.gz WXNJGVWABWQJDO-JQWIXIFHSA-N 2 2 266.345 -0.159 20 30 CBEDLP CCN(CC[NH2+]CC#CCOC)C(=O)Cn1cc[nH+]c1 ZINC001268501649 827345143 /nfs/dbraw/zinc/34/51/43/827345143.db2.gz GQOFYUDDXWRHPN-UHFFFAOYSA-N 2 2 278.356 -0.029 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268705802 827407589 /nfs/dbraw/zinc/40/75/89/827407589.db2.gz MEFNEYDNDFDRBU-QWRGUYRKSA-N 2 2 293.371 -0.263 20 30 CBEDLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001269039162 827453719 /nfs/dbraw/zinc/45/37/19/827453719.db2.gz QMBBMAYVIAWCKX-NWDGAFQWSA-N 2 2 295.387 -0.843 20 30 CBEDLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001269039162 827453723 /nfs/dbraw/zinc/45/37/23/827453723.db2.gz QMBBMAYVIAWCKX-NWDGAFQWSA-N 2 2 295.387 -0.843 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001272434783 827797473 /nfs/dbraw/zinc/79/74/73/827797473.db2.gz KJXIGUKUYAKDQN-LLVKDONJSA-N 2 2 250.302 -0.958 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001272434783 827797474 /nfs/dbraw/zinc/79/74/74/827797474.db2.gz KJXIGUKUYAKDQN-LLVKDONJSA-N 2 2 250.302 -0.958 20 30 CBEDLP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001272567010 827823359 /nfs/dbraw/zinc/82/33/59/827823359.db2.gz JGWCEOKERGKUOY-LLVKDONJSA-N 2 2 266.345 -0.097 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC001272593683 827827081 /nfs/dbraw/zinc/82/70/81/827827081.db2.gz ZMFBMCRHCAZXFF-GFCCVEGCSA-N 2 2 264.329 -0.637 20 30 CBEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001273322603 827889484 /nfs/dbraw/zinc/88/94/84/827889484.db2.gz HDQUDWRZHVIWKO-LBPRGKRZSA-N 2 2 264.329 -0.045 20 30 CBEDLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001275526501 828097805 /nfs/dbraw/zinc/09/78/05/828097805.db2.gz GKDWVBPPFQLUFE-VHSXEESVSA-N 2 2 292.343 -0.925 20 30 CBEDLP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001276816286 828161149 /nfs/dbraw/zinc/16/11/49/828161149.db2.gz ZJEYNVMOWKIDLB-GXTWGEPZSA-N 2 2 290.367 -0.199 20 30 CBEDLP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001278882979 828303097 /nfs/dbraw/zinc/30/30/97/828303097.db2.gz PQZYBJSKAGEVIL-CQSZACIVSA-N 2 2 292.383 -0.263 20 30 CBEDLP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001278882979 828303105 /nfs/dbraw/zinc/30/31/05/828303105.db2.gz PQZYBJSKAGEVIL-CQSZACIVSA-N 2 2 292.383 -0.263 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC001338505655 889170448 /nfs/dbraw/zinc/17/04/48/889170448.db2.gz RSVDZKZGMUJYEH-AWEZNQCLSA-N 2 2 262.357 -0.069 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001340865117 889501814 /nfs/dbraw/zinc/50/18/14/889501814.db2.gz NKYDFHKWOFDWLI-ZIAGYGMSSA-N 2 2 279.384 -0.031 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414689 884776355 /nfs/dbraw/zinc/77/63/55/884776355.db2.gz RVFRZGHSCOAVIQ-ZIAGYGMSSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212414689 884776365 /nfs/dbraw/zinc/77/63/65/884776365.db2.gz RVFRZGHSCOAVIQ-ZIAGYGMSSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414689 884776382 /nfs/dbraw/zinc/77/63/82/884776382.db2.gz RVFRZGHSCOAVIQ-ZIAGYGMSSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212414689 884776402 /nfs/dbraw/zinc/77/64/02/884776402.db2.gz RVFRZGHSCOAVIQ-ZIAGYGMSSA-N 2 2 279.384 -0.081 20 30 CBEDLP C=CCn1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)nn1 ZINC001327992081 885548171 /nfs/dbraw/zinc/54/81/71/885548171.db2.gz MDPCQXGGXBJXPT-CQSZACIVSA-N 2 2 294.403 -0.838 20 30 CBEDLP C#CC[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001328567057 885729695 /nfs/dbraw/zinc/72/96/95/885729695.db2.gz DOKKXKQPOYGIOD-UHFFFAOYSA-N 2 2 276.340 -0.541 20 30 CBEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001331791965 886985750 /nfs/dbraw/zinc/98/57/50/886985750.db2.gz XUIBNBTYFFQMHX-CHWSQXEVSA-N 2 2 278.356 -0.076 20 30 CBEDLP C#CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)CCOC ZINC001332922492 887477444 /nfs/dbraw/zinc/47/74/44/887477444.db2.gz ISRZGEWCPBJCOG-UHFFFAOYSA-N 2 2 278.356 -0.111 20 30 CBEDLP C#CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)CCOC ZINC001332922492 887477445 /nfs/dbraw/zinc/47/74/45/887477445.db2.gz ISRZGEWCPBJCOG-UHFFFAOYSA-N 2 2 278.356 -0.111 20 30 CBEDLP C#C[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)[C@H]1CCCO1 ZINC001335509114 888550555 /nfs/dbraw/zinc/55/05/55/888550555.db2.gz JKXIRRSJYQTHAH-ZIAGYGMSSA-N 2 2 294.399 -0.111 20 30 CBEDLP C#C[C@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)[C@@H]1CCCO1 ZINC001335509111 888551049 /nfs/dbraw/zinc/55/10/49/888551049.db2.gz JKXIRRSJYQTHAH-KBPBESRZSA-N 2 2 294.399 -0.111 20 30 CBEDLP C#C[C@H]1COCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336192909 888714897 /nfs/dbraw/zinc/71/48/97/888714897.db2.gz ODKYXKXTFVZOQP-ZDUSSCGKSA-N 2 2 280.372 -0.547 20 30 CBEDLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC001336711197 888853002 /nfs/dbraw/zinc/85/30/02/888853002.db2.gz HWHPLVPAZDYDTK-OLZOCXBDSA-N 2 2 298.387 -0.841 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC001340853211 889497986 /nfs/dbraw/zinc/49/79/86/889497986.db2.gz MKDVSKRSDXWJKI-UHFFFAOYSA-N 2 2 253.346 -0.564 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC001340853211 889497990 /nfs/dbraw/zinc/49/79/90/889497990.db2.gz MKDVSKRSDXWJKI-UHFFFAOYSA-N 2 2 253.346 -0.564 20 30 CBEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001341649665 889640202 /nfs/dbraw/zinc/64/02/02/889640202.db2.gz NUECUFZUJLKMEF-LNFKQOIKSA-N 2 2 259.313 -0.249 20 30 CBEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001342036664 889701696 /nfs/dbraw/zinc/70/16/96/889701696.db2.gz RETATLWJKZCWKP-ZJUUUORDSA-N 2 2 261.753 -0.409 20 30 CBEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001342036664 889701707 /nfs/dbraw/zinc/70/17/07/889701707.db2.gz RETATLWJKZCWKP-ZJUUUORDSA-N 2 2 261.753 -0.409 20 30 CBEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001342036660 889702739 /nfs/dbraw/zinc/70/27/39/889702739.db2.gz RETATLWJKZCWKP-VHSXEESVSA-N 2 2 261.753 -0.409 20 30 CBEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001342036660 889702750 /nfs/dbraw/zinc/70/27/50/889702750.db2.gz RETATLWJKZCWKP-VHSXEESVSA-N 2 2 261.753 -0.409 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001343422899 889905977 /nfs/dbraw/zinc/90/59/77/889905977.db2.gz AQUQGMIRCXZHMX-NEPJUHHUSA-N 2 2 253.346 -0.565 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001351110793 891107715 /nfs/dbraw/zinc/10/77/15/891107715.db2.gz AMKBSNUKWRSXSL-LSDHHAIUSA-N 2 2 290.411 -0.458 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001351110793 891107717 /nfs/dbraw/zinc/10/77/17/891107717.db2.gz AMKBSNUKWRSXSL-LSDHHAIUSA-N 2 2 290.411 -0.458 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001357366789 891876337 /nfs/dbraw/zinc/87/63/37/891876337.db2.gz JCSGCFYOUSYCMO-CYBMUJFWSA-N 2 2 265.357 -0.468 20 30 CBEDLP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001507211234 921744646 /nfs/dbraw/zinc/74/46/46/921744646.db2.gz JYYBILDXYVSDDH-VXGBXAGGSA-N 2 2 276.340 -0.855 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001480473422 916430099 /nfs/dbraw/zinc/43/00/99/916430099.db2.gz FKXJRYXNRQFVGT-NSHDSACASA-N 2 2 291.355 -0.814 20 30 CBEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001480625168 916499127 /nfs/dbraw/zinc/49/91/27/916499127.db2.gz BFXRCVPOPSQQES-ZDUSSCGKSA-N 2 2 276.340 -0.277 20 30 CBEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001482153795 917066462 /nfs/dbraw/zinc/06/64/62/917066462.db2.gz BCLDHGCCRGAVPX-LBPRGKRZSA-N 2 2 278.356 -0.056 20 30 CBEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001482651860 917197603 /nfs/dbraw/zinc/19/76/03/917197603.db2.gz LCZSTBZUQPERSC-UHFFFAOYSA-N 2 2 296.415 -0.534 20 30 CBEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001482651860 917197615 /nfs/dbraw/zinc/19/76/15/917197615.db2.gz LCZSTBZUQPERSC-UHFFFAOYSA-N 2 2 296.415 -0.534 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001482651860 917197621 /nfs/dbraw/zinc/19/76/21/917197621.db2.gz LCZSTBZUQPERSC-UHFFFAOYSA-N 2 2 296.415 -0.534 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001482651860 917197629 /nfs/dbraw/zinc/19/76/29/917197629.db2.gz LCZSTBZUQPERSC-UHFFFAOYSA-N 2 2 296.415 -0.534 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482728551 917236277 /nfs/dbraw/zinc/23/62/77/917236277.db2.gz HGNJKROLUOCDBM-ZDUSSCGKSA-N 2 2 286.335 -0.044 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482743952 917247029 /nfs/dbraw/zinc/24/70/29/917247029.db2.gz MRRVWNJTRPMXDW-CHWSQXEVSA-N 2 2 290.367 -0.465 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001482743826 917249072 /nfs/dbraw/zinc/24/90/72/917249072.db2.gz JYESIQMWYJKTGW-AAEUAGOBSA-N 2 2 276.340 -0.855 20 30 CBEDLP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001482772128 917267703 /nfs/dbraw/zinc/26/77/03/917267703.db2.gz PODBRYKYUTZPGV-LBPRGKRZSA-N 2 2 266.345 -0.015 20 30 CBEDLP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482872191 917315624 /nfs/dbraw/zinc/31/56/24/917315624.db2.gz FLTFVPUFFRVESM-JTQLQIEISA-N 2 2 292.343 -0.924 20 30 CBEDLP C#CC[NH2+]CCN(CCO)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001484496696 917878282 /nfs/dbraw/zinc/87/82/82/917878282.db2.gz YACGZYAIXLBBLU-ZDUSSCGKSA-N 2 2 278.356 -0.122 20 30 CBEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]ccc1OC ZINC001486008695 918302066 /nfs/dbraw/zinc/30/20/66/918302066.db2.gz RLBFWXDALQJXJU-CYBMUJFWSA-N 2 2 291.351 -0.277 20 30 CBEDLP C=CC[NH2+][C@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001486042177 918335484 /nfs/dbraw/zinc/33/54/84/918335484.db2.gz FWKGCEURIGFMIS-PWSUYJOCSA-N 2 2 266.345 -0.159 20 30 CBEDLP C=CC[NH2+][C@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001486042177 918335492 /nfs/dbraw/zinc/33/54/92/918335492.db2.gz FWKGCEURIGFMIS-PWSUYJOCSA-N 2 2 266.345 -0.159 20 30 CBEDLP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001486314051 918422282 /nfs/dbraw/zinc/42/22/82/918422282.db2.gz SOTXFNBQBNHFAG-CQSZACIVSA-N 2 2 292.383 -0.215 20 30 CBEDLP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001486353073 918449044 /nfs/dbraw/zinc/44/90/44/918449044.db2.gz UCPYQBMGHNSHRL-LBPRGKRZSA-N 2 2 278.356 -0.273 20 30 CBEDLP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001486353073 918449053 /nfs/dbraw/zinc/44/90/53/918449053.db2.gz UCPYQBMGHNSHRL-LBPRGKRZSA-N 2 2 278.356 -0.273 20 30 CBEDLP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001486353072 918449116 /nfs/dbraw/zinc/44/91/16/918449116.db2.gz UCPYQBMGHNSHRL-GFCCVEGCSA-N 2 2 278.356 -0.273 20 30 CBEDLP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001486353072 918449128 /nfs/dbraw/zinc/44/91/28/918449128.db2.gz UCPYQBMGHNSHRL-GFCCVEGCSA-N 2 2 278.356 -0.273 20 30 CBEDLP C#CC[NH+]1CCN(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001490493934 918921027 /nfs/dbraw/zinc/92/10/27/918921027.db2.gz CPKXDROVRQCBMY-CQSZACIVSA-N 2 2 280.416 -0.306 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001491692866 919254853 /nfs/dbraw/zinc/25/48/53/919254853.db2.gz AIHFHTLFVPRQRO-LLVKDONJSA-N 2 2 279.344 -0.720 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001497013446 920207552 /nfs/dbraw/zinc/20/75/52/920207552.db2.gz XZTYTHIHEYDVBI-YPMHNXCESA-N 2 2 278.356 -0.302 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001497022363 920213168 /nfs/dbraw/zinc/21/31/68/920213168.db2.gz JYEOLKRCRVJQFH-NSHDSACASA-N 2 2 266.345 -0.395 20 30 CBEDLP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001498172793 920511197 /nfs/dbraw/zinc/51/11/97/920511197.db2.gz VDNKAJQDYRNBPC-JTQLQIEISA-N 2 2 293.371 -0.343 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001500941758 920926464 /nfs/dbraw/zinc/92/64/64/920926464.db2.gz MYFVRQRENSHEBJ-UHFFFAOYSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CC[NH2+]CC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001521503173 922361081 /nfs/dbraw/zinc/36/10/81/922361081.db2.gz DNWYXHYHGFZOOX-UHFFFAOYSA-N 2 2 266.389 -0.647 20 30 CBEDLP C[C@@](C#N)(NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000107576442 351795109 /nfs/dbraw/zinc/79/51/09/351795109.db2.gz YDJLGYSMVJPWOX-WDMOLILDSA-N 2 2 262.357 -0.054 20 30 CBEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000107576442 351795112 /nfs/dbraw/zinc/79/51/12/351795112.db2.gz YDJLGYSMVJPWOX-WDMOLILDSA-N 2 2 262.357 -0.054 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2[C@H](C)O)CC1 ZINC000304713531 352747793 /nfs/dbraw/zinc/74/77/93/352747793.db2.gz MRCDTBGILDXEGW-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2[C@H](C)O)CC1 ZINC000304713531 352747795 /nfs/dbraw/zinc/74/77/95/352747795.db2.gz MRCDTBGILDXEGW-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@H](C)O)C(C)C)CC1 ZINC000304752631 352747847 /nfs/dbraw/zinc/74/78/47/352747847.db2.gz XYVXAZZTQGIJBD-AWEZNQCLSA-N 2 2 281.400 -0.145 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@H](C)O)C(C)C)CC1 ZINC000304752631 352747850 /nfs/dbraw/zinc/74/78/50/352747850.db2.gz XYVXAZZTQGIJBD-AWEZNQCLSA-N 2 2 281.400 -0.145 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359289016 353653168 /nfs/dbraw/zinc/65/31/68/353653168.db2.gz PMTOGJMFZPULKQ-MXWKQRLJSA-N 2 2 266.345 -0.462 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359289016 353653171 /nfs/dbraw/zinc/65/31/71/353653171.db2.gz PMTOGJMFZPULKQ-MXWKQRLJSA-N 2 2 266.345 -0.462 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826296 353668621 /nfs/dbraw/zinc/66/86/21/353668621.db2.gz MKCFIKPKMYDUFF-OLZOCXBDSA-N 2 2 294.399 -0.427 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826296 353668623 /nfs/dbraw/zinc/66/86/23/353668623.db2.gz MKCFIKPKMYDUFF-OLZOCXBDSA-N 2 2 294.399 -0.427 20 30 CBEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424133458 354210149 /nfs/dbraw/zinc/21/01/49/354210149.db2.gz MJMKSVSYOUKABC-NEPJUHHUSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424139276 354211142 /nfs/dbraw/zinc/21/11/42/354211142.db2.gz UYEBKASLEFDTPN-RYUDHWBXSA-N 2 2 268.361 -0.156 20 30 CBEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000451603976 354338963 /nfs/dbraw/zinc/33/89/63/354338963.db2.gz FEVUDLJKSZKAKD-NEPJUHHUSA-N 2 2 253.346 -0.307 20 30 CBEDLP C[N@H+](CCC#N)C[C@H](O)CN[C@@H](CO)C[NH+]1CCCCC1 ZINC000520407405 354566670 /nfs/dbraw/zinc/56/66/70/354566670.db2.gz BDDFKGRTJXMHOS-HUUCEWRRSA-N 2 2 298.431 -0.371 20 30 CBEDLP C[N@@H+](CCC#N)C[C@H](O)CN[C@@H](CO)C[NH+]1CCCCC1 ZINC000520407405 354566674 /nfs/dbraw/zinc/56/66/74/354566674.db2.gz BDDFKGRTJXMHOS-HUUCEWRRSA-N 2 2 298.431 -0.371 20 30 CBEDLP C[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C[NH+]1CCOCC1 ZINC000567605929 354791487 /nfs/dbraw/zinc/79/14/87/354791487.db2.gz LJMQLBQGQNOYJQ-HUUCEWRRSA-N 2 2 298.431 -0.249 20 30 CBEDLP C[C@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)CCO1 ZINC000570453205 354862014 /nfs/dbraw/zinc/86/20/14/354862014.db2.gz PXVMHNBIKCDVOK-NWDGAFQWSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)CCO1 ZINC000570453205 354862015 /nfs/dbraw/zinc/86/20/15/354862015.db2.gz PXVMHNBIKCDVOK-NWDGAFQWSA-N 2 2 268.361 -0.156 20 30 CBEDLP C=C(C)COCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000583921329 355024208 /nfs/dbraw/zinc/02/42/08/355024208.db2.gz OECIPWJVABGLBO-LBPRGKRZSA-N 2 2 270.377 -0.137 20 30 CBEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(CC#N)C1 ZINC000594015805 355235123 /nfs/dbraw/zinc/23/51/23/355235123.db2.gz QLEBIBZDULGPRP-OLZOCXBDSA-N 2 2 271.361 -0.724 20 30 CBEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(CC#N)C1 ZINC000594015805 355235126 /nfs/dbraw/zinc/23/51/26/355235126.db2.gz QLEBIBZDULGPRP-OLZOCXBDSA-N 2 2 271.361 -0.724 20 30 CBEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000594015805 355235128 /nfs/dbraw/zinc/23/51/28/355235128.db2.gz QLEBIBZDULGPRP-OLZOCXBDSA-N 2 2 271.361 -0.724 20 30 CBEDLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000594015805 355235132 /nfs/dbraw/zinc/23/51/32/355235132.db2.gz QLEBIBZDULGPRP-OLZOCXBDSA-N 2 2 271.361 -0.724 20 30 CBEDLP N#Cc1ccc(CC[N@@H+](CC[NH3+])C[C@H](O)CO)cc1 ZINC000595901143 355316430 /nfs/dbraw/zinc/31/64/30/355316430.db2.gz BDNTUMTXSIABMZ-AWEZNQCLSA-N 2 2 263.341 -0.285 20 30 CBEDLP N#Cc1ccc(CC[N@H+](CC[NH3+])C[C@H](O)CO)cc1 ZINC000595901143 355316434 /nfs/dbraw/zinc/31/64/34/355316434.db2.gz BDNTUMTXSIABMZ-AWEZNQCLSA-N 2 2 263.341 -0.285 20 30 CBEDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598591035 355445128 /nfs/dbraw/zinc/44/51/28/355445128.db2.gz YMBWOTCRNGNJSU-CYBMUJFWSA-N 2 2 296.415 -0.007 20 30 CBEDLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600736477 355563812 /nfs/dbraw/zinc/56/38/12/355563812.db2.gz AHYZCLQEXPOLAJ-KGLIPLIRSA-N 2 2 293.367 -0.190 20 30 CBEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851893 355675223 /nfs/dbraw/zinc/67/52/23/355675223.db2.gz XXEAZHJSGMVCON-QLFBSQMISA-N 2 2 298.431 -0.156 20 30 CBEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851893 355675226 /nfs/dbraw/zinc/67/52/26/355675226.db2.gz XXEAZHJSGMVCON-QLFBSQMISA-N 2 2 298.431 -0.156 20 30 CBEDLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851893 355675231 /nfs/dbraw/zinc/67/52/31/355675231.db2.gz XXEAZHJSGMVCON-QLFBSQMISA-N 2 2 298.431 -0.156 20 30 CBEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851893 355675236 /nfs/dbraw/zinc/67/52/36/355675236.db2.gz XXEAZHJSGMVCON-QLFBSQMISA-N 2 2 298.431 -0.156 20 30 CBEDLP C=C[C@@H](O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000611975125 355818110 /nfs/dbraw/zinc/81/81/10/355818110.db2.gz WHOWMQUWXBPZMH-GFCCVEGCSA-N 2 2 255.362 -0.325 20 30 CBEDLP C=CCN1CC[C@H]([NH+]2CCC([NH2+]CCO)CC2)C1=O ZINC000631863539 356913818 /nfs/dbraw/zinc/91/38/18/356913818.db2.gz ZWHXZVUNPSCZHC-ZDUSSCGKSA-N 2 2 267.373 -0.180 20 30 CBEDLP C=CCNC(=O)CN1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000639431958 357573234 /nfs/dbraw/zinc/57/32/34/357573234.db2.gz FUQNDXSIHSLONJ-UHFFFAOYSA-N 2 2 291.399 -0.118 20 30 CBEDLP C=CCOCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051171 357633254 /nfs/dbraw/zinc/63/32/54/357633254.db2.gz KGGJAZKRTWGAFS-UHFFFAOYSA-N 2 2 255.362 -0.105 20 30 CBEDLP C=CCOCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051171 357633255 /nfs/dbraw/zinc/63/32/55/357633255.db2.gz KGGJAZKRTWGAFS-UHFFFAOYSA-N 2 2 255.362 -0.105 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC2CC(O)C2)CC1 ZINC000490721016 261193069 /nfs/dbraw/zinc/19/30/69/261193069.db2.gz VGLSHNJACCZOAV-UHFFFAOYSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC2CC(O)C2)CC1 ZINC000490721016 261193072 /nfs/dbraw/zinc/19/30/72/261193072.db2.gz VGLSHNJACCZOAV-UHFFFAOYSA-N 2 2 279.384 -0.534 20 30 CBEDLP CN(C)C(=O)C[NH+](C)CC#CC[N@@H+](C)CC(=O)N(C)C ZINC000276312974 193283165 /nfs/dbraw/zinc/28/31/65/193283165.db2.gz MTPYYJDOEYVDHZ-UHFFFAOYSA-N 2 2 282.388 -0.970 20 30 CBEDLP CN(C)C(=O)C[NH+](C)CC#CC[N@H+](C)CC(=O)N(C)C ZINC000276312974 193283167 /nfs/dbraw/zinc/28/31/67/193283167.db2.gz MTPYYJDOEYVDHZ-UHFFFAOYSA-N 2 2 282.388 -0.970 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@](C)(CCO)COC)CC1 ZINC000085902953 372773562 /nfs/dbraw/zinc/77/35/62/372773562.db2.gz GLVWZFYBPVAPEX-OAHLLOKOSA-N 2 2 297.399 -0.859 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071146958 220196437 /nfs/dbraw/zinc/19/64/37/220196437.db2.gz ZDKFMJSHGQPJCP-JTQLQIEISA-N 2 2 254.334 -0.461 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071146958 220196438 /nfs/dbraw/zinc/19/64/38/220196438.db2.gz ZDKFMJSHGQPJCP-JTQLQIEISA-N 2 2 254.334 -0.461 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccn(C)n2)CC1 ZINC000491453240 373703207 /nfs/dbraw/zinc/70/32/07/373703207.db2.gz QHTYFWBZTAPCRG-CYBMUJFWSA-N 2 2 289.383 -0.152 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227072735 220237170 /nfs/dbraw/zinc/23/71/70/220237170.db2.gz FBUCFOAMZRFMRW-VHSXEESVSA-N 2 2 254.334 -0.333 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227072735 220237173 /nfs/dbraw/zinc/23/71/73/220237173.db2.gz FBUCFOAMZRFMRW-VHSXEESVSA-N 2 2 254.334 -0.333 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261587838 220243825 /nfs/dbraw/zinc/24/38/25/220243825.db2.gz JSXTWWPEROWBHO-WDEREUQCSA-N 2 2 266.345 -0.461 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261587838 220243829 /nfs/dbraw/zinc/24/38/29/220243829.db2.gz JSXTWWPEROWBHO-WDEREUQCSA-N 2 2 266.345 -0.461 20 30 CBEDLP [NH2+]=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCOCC1 ZINC000263144532 220261198 /nfs/dbraw/zinc/26/11/98/220261198.db2.gz OQKKSFOOSVTVNZ-TXEJJXNPSA-N 2 2 268.361 -0.504 20 30 CBEDLP [NH2+]=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCOCC1 ZINC000263144532 220261204 /nfs/dbraw/zinc/26/12/04/220261204.db2.gz OQKKSFOOSVTVNZ-TXEJJXNPSA-N 2 2 268.361 -0.504 20 30 CBEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCN(C(C)=O)CC1 ZINC000263275727 220260260 /nfs/dbraw/zinc/26/02/60/220260260.db2.gz YJAZFPCULLFMNA-UHFFFAOYSA-N 2 2 278.360 -0.377 20 30 CBEDLP [NH2+]=C(NCC[NH+]1CCC1)N1CCN(c2ncccn2)CC1 ZINC000262764568 220257207 /nfs/dbraw/zinc/25/72/07/220257207.db2.gz FPSGCOASHJBLAP-UHFFFAOYSA-N 2 2 289.387 -0.381 20 30 CBEDLP C=C(C)CNC(=[NH2+])NC[C@H](O)C[NH+]1CCOCC1 ZINC000264122991 220263538 /nfs/dbraw/zinc/26/35/38/220263538.db2.gz RLDNWPQQMNKZDP-NSHDSACASA-N 2 2 256.350 -0.840 20 30 CBEDLP C=C[C@@H](CO)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000289444182 220303649 /nfs/dbraw/zinc/30/36/49/220303649.db2.gz AYAPYDMMWPHVFT-ZDUSSCGKSA-N 2 2 277.372 -0.135 20 30 CBEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[NH+](C)CCO1 ZINC000303985268 220324823 /nfs/dbraw/zinc/32/48/23/220324823.db2.gz SUPXAANYJWBUDC-STQMWFEESA-N 3 2 283.420 -0.294 20 30 CBEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[NH+](C)CCO1 ZINC000303985268 220324826 /nfs/dbraw/zinc/32/48/26/220324826.db2.gz SUPXAANYJWBUDC-STQMWFEESA-N 3 2 283.420 -0.294 20 30 CBEDLP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000303985268 220324827 /nfs/dbraw/zinc/32/48/27/220324827.db2.gz SUPXAANYJWBUDC-STQMWFEESA-N 3 2 283.420 -0.294 20 30 CBEDLP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000303985268 220324830 /nfs/dbraw/zinc/32/48/30/220324830.db2.gz SUPXAANYJWBUDC-STQMWFEESA-N 3 2 283.420 -0.294 20 30 CBEDLP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[NH+](C)CCO2)[N@H+](C)C1 ZINC000328958244 220329136 /nfs/dbraw/zinc/32/91/36/220329136.db2.gz POZKBDNQLUPLQO-SRVKXCTJSA-N 2 2 271.361 -0.007 20 30 CBEDLP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[NH+](C)CCO2)[N@@H+](C)C1 ZINC000328958244 220329139 /nfs/dbraw/zinc/32/91/39/220329139.db2.gz POZKBDNQLUPLQO-SRVKXCTJSA-N 2 2 271.361 -0.007 20 30 CBEDLP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)[NH+](C)C1 ZINC000328958244 220329142 /nfs/dbraw/zinc/32/91/42/220329142.db2.gz POZKBDNQLUPLQO-SRVKXCTJSA-N 2 2 271.361 -0.007 20 30 CBEDLP CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)[NH+](C)C1 ZINC000328958244 220329145 /nfs/dbraw/zinc/32/91/45/220329145.db2.gz POZKBDNQLUPLQO-SRVKXCTJSA-N 2 2 271.361 -0.007 20 30 CBEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000329442931 220339304 /nfs/dbraw/zinc/33/93/04/220339304.db2.gz KMLMROMERSGTJN-QWHCGFSZSA-N 2 2 299.419 -0.934 20 30 CBEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000329442931 220339306 /nfs/dbraw/zinc/33/93/06/220339306.db2.gz KMLMROMERSGTJN-QWHCGFSZSA-N 2 2 299.419 -0.934 20 30 CBEDLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329442931 220339309 /nfs/dbraw/zinc/33/93/09/220339309.db2.gz KMLMROMERSGTJN-QWHCGFSZSA-N 2 2 299.419 -0.934 20 30 CBEDLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329442931 220339312 /nfs/dbraw/zinc/33/93/12/220339312.db2.gz KMLMROMERSGTJN-QWHCGFSZSA-N 2 2 299.419 -0.934 20 30 CBEDLP CNC(=O)NC(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331014355 220369374 /nfs/dbraw/zinc/36/93/74/220369374.db2.gz XEOIUEKKEUBGRE-UHFFFAOYSA-N 2 2 294.359 -0.408 20 30 CBEDLP C=C[C@H](CO)[NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000662165222 419554875 /nfs/dbraw/zinc/55/48/75/419554875.db2.gz AOWGWKNSYZTQST-VXGBXAGGSA-N 2 2 255.362 -0.325 20 30 CBEDLP C=CC[C@@]1(C(=O)N2CC[NH+](CCO)CC2)CCC[NH2+]1 ZINC000662782286 419721279 /nfs/dbraw/zinc/72/12/79/419721279.db2.gz YGXYIPCNBUYGIO-AWEZNQCLSA-N 2 2 267.373 -0.179 20 30 CBEDLP C=C(C)[C@@H](CO)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686082 419927271 /nfs/dbraw/zinc/92/72/71/419927271.db2.gz XSLFGAKWTVQCSV-GFCCVEGCSA-N 2 2 255.362 -0.371 20 30 CBEDLP C=C(C)[C@@H](CO)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686082 419927274 /nfs/dbraw/zinc/92/72/74/419927274.db2.gz XSLFGAKWTVQCSV-GFCCVEGCSA-N 2 2 255.362 -0.371 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000490899255 261241434 /nfs/dbraw/zinc/24/14/34/261241434.db2.gz NWCKZAXUNHULBX-CABCVRRESA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000490899255 261241436 /nfs/dbraw/zinc/24/14/36/261241436.db2.gz NWCKZAXUNHULBX-CABCVRRESA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]2(C)CO)CC1 ZINC000490950809 261263525 /nfs/dbraw/zinc/26/35/25/261263525.db2.gz SOBWXYKNYJBGLI-OAHLLOKOSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]2(C)CO)CC1 ZINC000490950809 261263527 /nfs/dbraw/zinc/26/35/27/261263527.db2.gz SOBWXYKNYJBGLI-OAHLLOKOSA-N 2 2 279.384 -0.389 20 30 CBEDLP C[NH+](CCNC[C@@H](O)C[N@H+](C)CCC#N)C1CC1 ZINC000571198716 328091896 /nfs/dbraw/zinc/09/18/96/328091896.db2.gz WGOAGZGRUZLISV-CYBMUJFWSA-N 2 2 254.378 -0.123 20 30 CBEDLP C[NH+](CCNC[C@@H](O)C[N@@H+](C)CCC#N)C1CC1 ZINC000571198716 328091897 /nfs/dbraw/zinc/09/18/97/328091897.db2.gz WGOAGZGRUZLISV-CYBMUJFWSA-N 2 2 254.378 -0.123 20 30 CBEDLP C[NH+](CCC#N)C[C@H](O)CNCC[N@H+](C)C1CC1 ZINC000571198716 328091899 /nfs/dbraw/zinc/09/18/99/328091899.db2.gz WGOAGZGRUZLISV-CYBMUJFWSA-N 2 2 254.378 -0.123 20 30 CBEDLP C[NH+](CCC#N)C[C@H](O)CNCC[N@@H+](C)C1CC1 ZINC000571198716 328091901 /nfs/dbraw/zinc/09/19/01/328091901.db2.gz WGOAGZGRUZLISV-CYBMUJFWSA-N 2 2 254.378 -0.123 20 30 CBEDLP C=CC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000569927934 327555964 /nfs/dbraw/zinc/55/59/64/327555964.db2.gz RDCRKSYYWMAXPJ-FQUUOJAGSA-N 2 2 272.389 -0.017 20 30 CBEDLP CCOCCCNC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000170913294 329072448 /nfs/dbraw/zinc/07/24/48/329072448.db2.gz NMJKENZODZVRIG-NSHDSACASA-N 2 2 258.366 -0.352 20 30 CBEDLP CCOCCCNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000170913294 329072449 /nfs/dbraw/zinc/07/24/49/329072449.db2.gz NMJKENZODZVRIG-NSHDSACASA-N 2 2 258.366 -0.352 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H]2CO)CC1 ZINC000490718733 332108395 /nfs/dbraw/zinc/10/83/95/332108395.db2.gz JTRBEAYDISCQSR-KBPBESRZSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H]2CO)CC1 ZINC000490718733 332108396 /nfs/dbraw/zinc/10/83/96/332108396.db2.gz JTRBEAYDISCQSR-KBPBESRZSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000490741283 332111487 /nfs/dbraw/zinc/11/14/87/332111487.db2.gz TXAKNJDBFVCINE-CQSZACIVSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000490741283 332111488 /nfs/dbraw/zinc/11/14/88/332111488.db2.gz TXAKNJDBFVCINE-CQSZACIVSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000490841538 332119679 /nfs/dbraw/zinc/11/96/79/332119679.db2.gz UWHJYVSABCUGGQ-ZIAGYGMSSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H](C)OC)CC1 ZINC000491070344 332145836 /nfs/dbraw/zinc/14/58/36/332145836.db2.gz AZMIGQDXHXELQQ-ZDUSSCGKSA-N 2 2 267.373 -0.270 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H](C)OC)CC1 ZINC000491070344 332145837 /nfs/dbraw/zinc/14/58/37/332145837.db2.gz AZMIGQDXHXELQQ-ZDUSSCGKSA-N 2 2 267.373 -0.270 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C2CCCC2)CC1 ZINC000491352447 332195956 /nfs/dbraw/zinc/19/59/56/332195956.db2.gz ZRAOREPQHZNNHN-OAHLLOKOSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CO)[C@H]2C)CC1 ZINC000491513970 332226548 /nfs/dbraw/zinc/22/65/48/332226548.db2.gz FOQBLAQJVCKIJK-HUUCEWRRSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CO)[C@H]2C)CC1 ZINC000491513970 332226549 /nfs/dbraw/zinc/22/65/49/332226549.db2.gz FOQBLAQJVCKIJK-HUUCEWRRSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000491652557 332265143 /nfs/dbraw/zinc/26/51/43/332265143.db2.gz AEQNLOXGBLAIHJ-VXGBXAGGSA-N 2 2 252.362 -0.072 20 30 CBEDLP C#C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000491652557 332265145 /nfs/dbraw/zinc/26/51/45/332265145.db2.gz AEQNLOXGBLAIHJ-VXGBXAGGSA-N 2 2 252.362 -0.072 20 30 CBEDLP C#CCNC(=O)CC[NH2+]CC[NH+]1CCC(O)CC1 ZINC000491688857 332286434 /nfs/dbraw/zinc/28/64/34/332286434.db2.gz FFMHFWPPXRTABE-UHFFFAOYSA-N 2 2 253.346 -0.828 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000491729555 332311745 /nfs/dbraw/zinc/31/17/45/332311745.db2.gz CVWFSTUCENEAGJ-ZDUSSCGKSA-N 2 2 267.373 -0.438 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000491729555 332311746 /nfs/dbraw/zinc/31/17/46/332311746.db2.gz CVWFSTUCENEAGJ-ZDUSSCGKSA-N 2 2 267.373 -0.438 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000491771083 332337760 /nfs/dbraw/zinc/33/77/60/332337760.db2.gz QXKBKZPHWKFOBQ-CYBMUJFWSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000491815346 332366713 /nfs/dbraw/zinc/36/67/13/332366713.db2.gz LJDZOPWKRHMJKY-LBPRGKRZSA-N 2 2 253.346 -0.564 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000491815346 332366715 /nfs/dbraw/zinc/36/67/15/332366715.db2.gz LJDZOPWKRHMJKY-LBPRGKRZSA-N 2 2 253.346 -0.564 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C(=O)NC)C(C)C)CC1 ZINC000491822069 332371017 /nfs/dbraw/zinc/37/10/17/332371017.db2.gz ZJJCRTZZFLXNQN-AWEZNQCLSA-N 2 2 294.399 -0.876 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]([C@@H](C)O)C2)CC1 ZINC000305850223 333000986 /nfs/dbraw/zinc/00/09/86/333000986.db2.gz JJWPDYUGTMRKCW-ZIAGYGMSSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000725891277 582135893 /nfs/dbraw/zinc/13/58/93/582135893.db2.gz VYSOSXWGMHOVQD-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000730285718 582150083 /nfs/dbraw/zinc/15/00/83/582150083.db2.gz GEXJEMPKTZTUOR-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000730285718 582150084 /nfs/dbraw/zinc/15/00/84/582150084.db2.gz GEXJEMPKTZTUOR-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000748816523 582288703 /nfs/dbraw/zinc/28/87/03/582288703.db2.gz DQZGLUQULGDSOK-HNNXBMFYSA-N 2 2 293.411 -0.142 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000748816523 582288704 /nfs/dbraw/zinc/28/87/04/582288704.db2.gz DQZGLUQULGDSOK-HNNXBMFYSA-N 2 2 293.411 -0.142 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCCO)C2CC2)CC1 ZINC000748816552 582288809 /nfs/dbraw/zinc/28/88/09/582288809.db2.gz FVKUJIQICWNTIP-UHFFFAOYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCCO)C2CC2)CC1 ZINC000748816552 582288810 /nfs/dbraw/zinc/28/88/10/582288810.db2.gz FVKUJIQICWNTIP-UHFFFAOYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCOC[C@@H]2C)CC1 ZINC000749516168 582289827 /nfs/dbraw/zinc/28/98/27/582289827.db2.gz SXQDKCZDBVKKRQ-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCOC[C@@H]2C)CC1 ZINC000749516168 582289828 /nfs/dbraw/zinc/28/98/28/582289828.db2.gz SXQDKCZDBVKKRQ-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCCCO)cn2)CC1 ZINC000755699819 582302186 /nfs/dbraw/zinc/30/21/86/582302186.db2.gz OAPQLZUFARCWKF-UHFFFAOYSA-N 2 2 278.360 -0.466 20 30 CBEDLP C[C@@H](CO)N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755758403 582302381 /nfs/dbraw/zinc/30/23/81/582302381.db2.gz PSMILSJPNPPFOH-NSHDSACASA-N 2 2 278.360 -0.467 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000764612850 582324017 /nfs/dbraw/zinc/32/40/17/582324017.db2.gz NVPHVEDIOPKTMC-ZDUSSCGKSA-N 2 2 285.388 -0.744 20 30 CBEDLP C#CCC[NH+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000776595336 582355642 /nfs/dbraw/zinc/35/56/42/582355642.db2.gz JVOMOACRQJEQFN-OAHLLOKOSA-N 2 2 281.400 -0.680 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000794948363 582407236 /nfs/dbraw/zinc/40/72/36/582407236.db2.gz JODDCFQLQVWWSD-GJZGRUSLSA-N 2 2 290.411 -0.600 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000794948363 582407237 /nfs/dbraw/zinc/40/72/37/582407237.db2.gz JODDCFQLQVWWSD-GJZGRUSLSA-N 2 2 290.411 -0.600 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000794948362 582407241 /nfs/dbraw/zinc/40/72/41/582407241.db2.gz JODDCFQLQVWWSD-CABCVRRESA-N 2 2 290.411 -0.600 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000794948362 582407242 /nfs/dbraw/zinc/40/72/42/582407242.db2.gz JODDCFQLQVWWSD-CABCVRRESA-N 2 2 290.411 -0.600 20 30 CBEDLP Nc1ncc(C=[NH+]NCCC[NH+]2CCOCC2)cn1 ZINC000799490307 582420124 /nfs/dbraw/zinc/42/01/24/582420124.db2.gz YHSNRERNRDBUPZ-UHFFFAOYSA-N 2 2 264.333 -0.295 20 30 CBEDLP COc1ncnc(N)c1C=[NH+]NCCC[NH+]1CCOCC1 ZINC000799492323 582420148 /nfs/dbraw/zinc/42/01/48/582420148.db2.gz RMYQJZXUKBGQEJ-UHFFFAOYSA-N 2 2 294.359 -0.287 20 30 CBEDLP C[C@@H](C#N)OCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000801914124 582425519 /nfs/dbraw/zinc/42/55/19/582425519.db2.gz GBLRFNKPFZJKIL-LBPRGKRZSA-N 2 2 268.361 -0.379 20 30 CBEDLP C[C@H](C#N)OCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000801914123 582425527 /nfs/dbraw/zinc/42/55/27/582425527.db2.gz GBLRFNKPFZJKIL-GFCCVEGCSA-N 2 2 268.361 -0.379 20 30 CBEDLP C[C@H](O)CN[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000814962583 582459657 /nfs/dbraw/zinc/45/96/57/582459657.db2.gz OERMEKJYCCJTRL-NSHDSACASA-N 2 2 278.360 -0.467 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000843060398 583198601 /nfs/dbraw/zinc/19/86/01/583198601.db2.gz HFBVNKTXPVYMDQ-ZDUSSCGKSA-N 2 2 266.389 -0.342 20 30 CBEDLP C[C@@H](C#N)OCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844379468 583269332 /nfs/dbraw/zinc/26/93/32/583269332.db2.gz FADWAWPBNWHDDF-LBPRGKRZSA-N 2 2 268.361 -0.379 20 30 CBEDLP C[C@@H](C#N)OCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844379468 583269334 /nfs/dbraw/zinc/26/93/34/583269334.db2.gz FADWAWPBNWHDDF-LBPRGKRZSA-N 2 2 268.361 -0.379 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846676759 583382609 /nfs/dbraw/zinc/38/26/09/583382609.db2.gz GKXNZMMXWIPROH-PWSUYJOCSA-N 2 2 273.340 -0.010 20 30 CBEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)[C@@H]1CCCO1 ZINC000846860244 583389990 /nfs/dbraw/zinc/38/99/90/583389990.db2.gz JFQHHPRHBCNRKE-RDBSUJKOSA-N 2 2 270.373 -0.304 20 30 CBEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)CCOC)[C@@H]1CCCO1 ZINC000846860244 583389992 /nfs/dbraw/zinc/38/99/92/583389992.db2.gz JFQHHPRHBCNRKE-RDBSUJKOSA-N 2 2 270.373 -0.304 20 30 CBEDLP C[NH+]=C(NCCN1CCOCC1)NCC[NH+]1CCC1 ZINC000848989603 583464707 /nfs/dbraw/zinc/46/47/07/583464707.db2.gz KHHZAIUUGFIURM-UHFFFAOYSA-N 2 2 269.393 -0.811 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)CC1 ZINC000852535391 583548315 /nfs/dbraw/zinc/54/83/15/583548315.db2.gz ZSFKOPVCYQOVIS-GDBMZVCRSA-N 2 2 291.395 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)CC1 ZINC000852535391 583548316 /nfs/dbraw/zinc/54/83/16/583548316.db2.gz ZSFKOPVCYQOVIS-GDBMZVCRSA-N 2 2 291.395 -0.268 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852761119 583552205 /nfs/dbraw/zinc/55/22/05/583552205.db2.gz QUAZFDXHOHIUCF-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852761119 583552206 /nfs/dbraw/zinc/55/22/06/583552206.db2.gz QUAZFDXHOHIUCF-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868581561 583982003 /nfs/dbraw/zinc/98/20/03/583982003.db2.gz JVGXAZMWXNAWPR-GQCTYLIASA-N 2 2 279.384 -0.054 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868581561 583982005 /nfs/dbraw/zinc/98/20/05/583982005.db2.gz JVGXAZMWXNAWPR-GQCTYLIASA-N 2 2 279.384 -0.054 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000872219158 584051148 /nfs/dbraw/zinc/05/11/48/584051148.db2.gz WOSUBDBPOXFYRS-LBPRGKRZSA-N 2 2 267.373 -0.439 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000872219158 584051150 /nfs/dbraw/zinc/05/11/50/584051150.db2.gz WOSUBDBPOXFYRS-LBPRGKRZSA-N 2 2 267.373 -0.439 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000884021374 584356212 /nfs/dbraw/zinc/35/62/12/584356212.db2.gz ZHEHBHSIMOQROB-QWRGUYRKSA-N 2 2 269.345 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+]CC1(C)C ZINC000884037792 584357078 /nfs/dbraw/zinc/35/70/78/584357078.db2.gz MTBCFVXTBRTHGB-JTQLQIEISA-N 2 2 269.345 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC([NH+](C)C)CC1 ZINC000884237748 584369322 /nfs/dbraw/zinc/36/93/22/584369322.db2.gz KWEDVRUZLPCVAQ-LBPRGKRZSA-N 2 2 283.372 -0.014 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000884244689 584369616 /nfs/dbraw/zinc/36/96/16/584369616.db2.gz JPMDLMYEDNSSMP-MXWKQRLJSA-N 2 2 269.345 -0.358 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000884272383 584371337 /nfs/dbraw/zinc/37/13/37/584371337.db2.gz WFRTYHLYDOFOGT-AXFHLTTASA-N 2 2 269.345 -0.358 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000884302257 584372798 /nfs/dbraw/zinc/37/27/98/584372798.db2.gz NESKUSKPWDGLCP-QWRGUYRKSA-N 2 2 283.372 -0.063 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000884341537 584375413 /nfs/dbraw/zinc/37/54/13/584375413.db2.gz ZSTASJBTMHHVLH-SRVKXCTJSA-N 2 2 283.372 -0.124 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000884341539 584375485 /nfs/dbraw/zinc/37/54/85/584375485.db2.gz ZSTASJBTMHHVLH-UTUOFQBUSA-N 2 2 283.372 -0.124 20 30 CBEDLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCN(O)C2=O)n1C ZINC000895157399 584671978 /nfs/dbraw/zinc/67/19/78/584671978.db2.gz CFCUCJDUMXWQKZ-JTQLQIEISA-N 2 2 267.333 -0.044 20 30 CBEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941345304 613115593 /nfs/dbraw/zinc/11/55/93/613115593.db2.gz RIAILJPJCOZVHK-OAHLLOKOSA-N 2 2 290.411 -0.458 20 30 CBEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941345304 613115595 /nfs/dbraw/zinc/11/55/95/613115595.db2.gz RIAILJPJCOZVHK-OAHLLOKOSA-N 2 2 290.411 -0.458 20 30 CBEDLP C#CC[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982221241 613150755 /nfs/dbraw/zinc/15/07/55/613150755.db2.gz SFWJPWBPOMWBAW-UHFFFAOYSA-N 2 2 279.384 -0.124 20 30 CBEDLP C#CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982221241 613150757 /nfs/dbraw/zinc/15/07/57/613150757.db2.gz SFWJPWBPOMWBAW-UHFFFAOYSA-N 2 2 279.384 -0.124 20 30 CBEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972677690 613212276 /nfs/dbraw/zinc/21/22/76/613212276.db2.gz QNAHVMICVIXKMI-GDBMZVCRSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972677690 613212278 /nfs/dbraw/zinc/21/22/78/613212278.db2.gz QNAHVMICVIXKMI-GDBMZVCRSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972677690 613212281 /nfs/dbraw/zinc/21/22/81/613212281.db2.gz QNAHVMICVIXKMI-GDBMZVCRSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972677690 613212284 /nfs/dbraw/zinc/21/22/84/613212284.db2.gz QNAHVMICVIXKMI-GDBMZVCRSA-N 2 2 291.395 -0.125 20 30 CBEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969440401 613531527 /nfs/dbraw/zinc/53/15/27/613531527.db2.gz GFXFYTJLKUSKEW-TZMCWYRMSA-N 2 2 279.384 -0.223 20 30 CBEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969440401 613531530 /nfs/dbraw/zinc/53/15/30/613531530.db2.gz GFXFYTJLKUSKEW-TZMCWYRMSA-N 2 2 279.384 -0.223 20 30 CBEDLP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958470637 613840279 /nfs/dbraw/zinc/84/02/79/613840279.db2.gz VXDBCQTZJVGTBN-XQHKEYJVSA-N 2 2 265.357 -0.451 20 30 CBEDLP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958470637 613840281 /nfs/dbraw/zinc/84/02/81/613840281.db2.gz VXDBCQTZJVGTBN-XQHKEYJVSA-N 2 2 265.357 -0.451 20 30 CBEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958470637 613840282 /nfs/dbraw/zinc/84/02/82/613840282.db2.gz VXDBCQTZJVGTBN-XQHKEYJVSA-N 2 2 265.357 -0.451 20 30 CBEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958470637 613840284 /nfs/dbraw/zinc/84/02/84/613840284.db2.gz VXDBCQTZJVGTBN-XQHKEYJVSA-N 2 2 265.357 -0.451 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000923572939 658334950 /nfs/dbraw/zinc/33/49/50/658334950.db2.gz HUFIVXXFICOLJY-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000923572939 658334967 /nfs/dbraw/zinc/33/49/67/658334967.db2.gz HUFIVXXFICOLJY-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000923572939 658334973 /nfs/dbraw/zinc/33/49/73/658334973.db2.gz HUFIVXXFICOLJY-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000923572939 658334981 /nfs/dbraw/zinc/33/49/81/658334981.db2.gz HUFIVXXFICOLJY-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+](C)CCOC ZINC000303979898 656140339 /nfs/dbraw/zinc/14/03/39/656140339.db2.gz NPAZDRWKORFBOB-ZDUSSCGKSA-N 3 2 285.436 -0.047 20 30 CBEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+](C)CCOC ZINC000303979898 656140341 /nfs/dbraw/zinc/14/03/41/656140341.db2.gz NPAZDRWKORFBOB-ZDUSSCGKSA-N 3 2 285.436 -0.047 20 30 CBEDLP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC[N@H+](C)CCOC ZINC000303979898 656140343 /nfs/dbraw/zinc/14/03/43/656140343.db2.gz NPAZDRWKORFBOB-ZDUSSCGKSA-N 3 2 285.436 -0.047 20 30 CBEDLP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC[N@@H+](C)CCOC ZINC000303979898 656140347 /nfs/dbraw/zinc/14/03/47/656140347.db2.gz NPAZDRWKORFBOB-ZDUSSCGKSA-N 3 2 285.436 -0.047 20 30 CBEDLP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010426809 657185698 /nfs/dbraw/zinc/18/56/98/657185698.db2.gz JXKGQKHDXDMXHZ-STQMWFEESA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010426809 657185704 /nfs/dbraw/zinc/18/57/04/657185704.db2.gz JXKGQKHDXDMXHZ-STQMWFEESA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010426809 657185709 /nfs/dbraw/zinc/18/57/09/657185709.db2.gz JXKGQKHDXDMXHZ-STQMWFEESA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010426809 657185712 /nfs/dbraw/zinc/18/57/12/657185712.db2.gz JXKGQKHDXDMXHZ-STQMWFEESA-N 2 2 265.357 -0.469 20 30 CBEDLP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010437333 657187083 /nfs/dbraw/zinc/18/70/83/657187083.db2.gz WCGIZDCLEIKHTM-RYUDHWBXSA-N 2 2 253.346 -0.307 20 30 CBEDLP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010437333 657187091 /nfs/dbraw/zinc/18/70/91/657187091.db2.gz WCGIZDCLEIKHTM-RYUDHWBXSA-N 2 2 253.346 -0.307 20 30 CBEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010437333 657187097 /nfs/dbraw/zinc/18/70/97/657187097.db2.gz WCGIZDCLEIKHTM-RYUDHWBXSA-N 2 2 253.346 -0.307 20 30 CBEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010437333 657187102 /nfs/dbraw/zinc/18/71/02/657187102.db2.gz WCGIZDCLEIKHTM-RYUDHWBXSA-N 2 2 253.346 -0.307 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000912746662 657338753 /nfs/dbraw/zinc/33/87/53/657338753.db2.gz OVSKLUKRMPRDLK-CQSZACIVSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000912746662 657338758 /nfs/dbraw/zinc/33/87/58/657338758.db2.gz OVSKLUKRMPRDLK-CQSZACIVSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014922283 657391235 /nfs/dbraw/zinc/39/12/35/657391235.db2.gz BDHHVBAITXQWTQ-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014922283 657391238 /nfs/dbraw/zinc/39/12/38/657391238.db2.gz BDHHVBAITXQWTQ-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014922283 657391243 /nfs/dbraw/zinc/39/12/43/657391243.db2.gz BDHHVBAITXQWTQ-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014922283 657391248 /nfs/dbraw/zinc/39/12/48/657391248.db2.gz BDHHVBAITXQWTQ-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014921253 657391600 /nfs/dbraw/zinc/39/16/00/657391600.db2.gz UGEMRSIXJKXCFC-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014921253 657391601 /nfs/dbraw/zinc/39/16/01/657391601.db2.gz UGEMRSIXJKXCFC-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014921253 657391605 /nfs/dbraw/zinc/39/16/05/657391605.db2.gz UGEMRSIXJKXCFC-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014921253 657391607 /nfs/dbraw/zinc/39/16/07/657391607.db2.gz UGEMRSIXJKXCFC-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C/C(=C/C(=O)NCC#CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000913524031 657492346 /nfs/dbraw/zinc/49/23/46/657492346.db2.gz WWBLMYJLWJRRCE-OWBHPGMISA-N 2 2 279.384 -0.054 20 30 CBEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000923560267 658327150 /nfs/dbraw/zinc/32/71/50/658327150.db2.gz RHYZKMGWFRYQBK-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)C1 ZINC000923560267 658327163 /nfs/dbraw/zinc/32/71/63/658327163.db2.gz RHYZKMGWFRYQBK-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H](OC)C[NH+]2C)C1 ZINC000923560267 658327172 /nfs/dbraw/zinc/32/71/72/658327172.db2.gz RHYZKMGWFRYQBK-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H](OC)C[NH+]2C)C1 ZINC000923560267 658327175 /nfs/dbraw/zinc/32/71/75/658327175.db2.gz RHYZKMGWFRYQBK-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000923583360 658338632 /nfs/dbraw/zinc/33/86/32/658338632.db2.gz LQYSYLYXCFTRQQ-CQSZACIVSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000923583360 658338647 /nfs/dbraw/zinc/33/86/47/658338647.db2.gz LQYSYLYXCFTRQQ-CQSZACIVSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[N@H+](C)CCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000925312713 658822184 /nfs/dbraw/zinc/82/21/84/658822184.db2.gz JHTJJVLJMXVCMP-LBPRGKRZSA-N 2 2 289.339 -0.172 20 30 CBEDLP C#CC[N@@H+](C)CCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000925312713 658822188 /nfs/dbraw/zinc/82/21/88/658822188.db2.gz JHTJJVLJMXVCMP-LBPRGKRZSA-N 2 2 289.339 -0.172 20 30 CBEDLP C#CC[N@H+](C)CCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000925312713 658822194 /nfs/dbraw/zinc/82/21/94/658822194.db2.gz JHTJJVLJMXVCMP-LBPRGKRZSA-N 2 2 289.339 -0.172 20 30 CBEDLP C#CC[N@@H+](C)CCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000925312713 658822199 /nfs/dbraw/zinc/82/21/99/658822199.db2.gz JHTJJVLJMXVCMP-LBPRGKRZSA-N 2 2 289.339 -0.172 20 30 CBEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000923595247 790924186 /nfs/dbraw/zinc/92/41/86/790924186.db2.gz RGKWAYBHCXDWQN-OAHLLOKOSA-N 2 2 292.427 -0.306 20 30 CBEDLP C#CC[NH+]1CCC[C@@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000923595247 790924194 /nfs/dbraw/zinc/92/41/94/790924194.db2.gz RGKWAYBHCXDWQN-OAHLLOKOSA-N 2 2 292.427 -0.306 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000923595247 790924204 /nfs/dbraw/zinc/92/42/04/790924204.db2.gz RGKWAYBHCXDWQN-OAHLLOKOSA-N 2 2 292.427 -0.306 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000923595247 790924213 /nfs/dbraw/zinc/92/42/13/790924213.db2.gz RGKWAYBHCXDWQN-OAHLLOKOSA-N 2 2 292.427 -0.306 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077237077 805704183 /nfs/dbraw/zinc/70/41/83/805704183.db2.gz XNCROCFRGDMSGY-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077237077 805704187 /nfs/dbraw/zinc/70/41/87/805704187.db2.gz XNCROCFRGDMSGY-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001077237077 805704191 /nfs/dbraw/zinc/70/41/91/805704191.db2.gz XNCROCFRGDMSGY-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077237077 805704196 /nfs/dbraw/zinc/70/41/96/805704196.db2.gz XNCROCFRGDMSGY-MGPQQGTHSA-N 2 2 279.384 -0.345 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251891 805707683 /nfs/dbraw/zinc/70/76/83/805707683.db2.gz UGFOOJVVBBBPBI-MRVWCRGKSA-N 2 2 290.367 -0.207 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251891 805707686 /nfs/dbraw/zinc/70/76/86/805707686.db2.gz UGFOOJVVBBBPBI-MRVWCRGKSA-N 2 2 290.367 -0.207 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077565374 805748604 /nfs/dbraw/zinc/74/86/04/805748604.db2.gz FUMYQURNDOYNHN-MGPQQGTHSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077565374 805748610 /nfs/dbraw/zinc/74/86/10/805748610.db2.gz FUMYQURNDOYNHN-MGPQQGTHSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077565374 805748614 /nfs/dbraw/zinc/74/86/14/805748614.db2.gz FUMYQURNDOYNHN-MGPQQGTHSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077565374 805748619 /nfs/dbraw/zinc/74/86/19/805748619.db2.gz FUMYQURNDOYNHN-MGPQQGTHSA-N 2 2 297.399 -0.557 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077678448 805767852 /nfs/dbraw/zinc/76/78/52/805767852.db2.gz ZJYIRHYMQUUITB-YNEHKIRRSA-N 2 2 265.357 -0.877 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001077678448 805767854 /nfs/dbraw/zinc/76/78/54/805767854.db2.gz ZJYIRHYMQUUITB-YNEHKIRRSA-N 2 2 265.357 -0.877 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077678448 805767839 /nfs/dbraw/zinc/76/78/39/805767839.db2.gz ZJYIRHYMQUUITB-YNEHKIRRSA-N 2 2 265.357 -0.877 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001077678448 805767845 /nfs/dbraw/zinc/76/78/45/805767845.db2.gz ZJYIRHYMQUUITB-YNEHKIRRSA-N 2 2 265.357 -0.877 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675422 805768802 /nfs/dbraw/zinc/76/88/02/805768802.db2.gz NAOOXQNXCXAYMB-BFHYXJOUSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001077675422 805768806 /nfs/dbraw/zinc/76/88/06/805768806.db2.gz NAOOXQNXCXAYMB-BFHYXJOUSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001077675422 805768811 /nfs/dbraw/zinc/76/88/11/805768811.db2.gz NAOOXQNXCXAYMB-BFHYXJOUSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001077675422 805768817 /nfs/dbraw/zinc/76/88/17/805768817.db2.gz NAOOXQNXCXAYMB-BFHYXJOUSA-N 2 2 279.384 -0.345 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183359 805855022 /nfs/dbraw/zinc/85/50/22/805855022.db2.gz NIEPHDLJZJNXAD-VXGBXAGGSA-N 2 2 264.329 -0.461 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183359 805855030 /nfs/dbraw/zinc/85/50/30/805855030.db2.gz NIEPHDLJZJNXAD-VXGBXAGGSA-N 2 2 264.329 -0.461 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481216 806086685 /nfs/dbraw/zinc/08/66/85/806086685.db2.gz AQZIDKINODYEOM-MGPQQGTHSA-N 2 2 295.383 -0.844 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481216 806086694 /nfs/dbraw/zinc/08/66/94/806086694.db2.gz AQZIDKINODYEOM-MGPQQGTHSA-N 2 2 295.383 -0.844 20 30 CBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481216 806086704 /nfs/dbraw/zinc/08/67/04/806086704.db2.gz AQZIDKINODYEOM-MGPQQGTHSA-N 2 2 295.383 -0.844 20 30 CBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481216 806086714 /nfs/dbraw/zinc/08/67/14/806086714.db2.gz AQZIDKINODYEOM-MGPQQGTHSA-N 2 2 295.383 -0.844 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083195843 806235825 /nfs/dbraw/zinc/23/58/25/806235825.db2.gz RCUSSWKIRNYNMV-MELADBBJSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083195843 806235832 /nfs/dbraw/zinc/23/58/32/806235832.db2.gz RCUSSWKIRNYNMV-MELADBBJSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644610 806389617 /nfs/dbraw/zinc/38/96/17/806389617.db2.gz OCNQRKPPBSRTQR-KGLIPLIRSA-N 2 2 284.319 -0.258 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644610 806389627 /nfs/dbraw/zinc/38/96/27/806389627.db2.gz OCNQRKPPBSRTQR-KGLIPLIRSA-N 2 2 284.319 -0.258 20 30 CBEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027351103 799043055 /nfs/dbraw/zinc/04/30/55/799043055.db2.gz QIDYGKKAXRFPNV-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027351103 799043060 /nfs/dbraw/zinc/04/30/60/799043060.db2.gz QIDYGKKAXRFPNV-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001027351103 799043066 /nfs/dbraw/zinc/04/30/66/799043066.db2.gz QIDYGKKAXRFPNV-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001027351103 799043072 /nfs/dbraw/zinc/04/30/72/799043072.db2.gz QIDYGKKAXRFPNV-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001030347219 799300648 /nfs/dbraw/zinc/30/06/48/799300648.db2.gz IRBWJSUTFQSGNP-ZIAGYGMSSA-N 2 2 277.368 -0.327 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030347219 799300655 /nfs/dbraw/zinc/30/06/55/799300655.db2.gz IRBWJSUTFQSGNP-ZIAGYGMSSA-N 2 2 277.368 -0.327 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@H](C)O)C2)CC1 ZINC001031434850 799489242 /nfs/dbraw/zinc/48/92/42/799489242.db2.gz HLJNBMFYCKMORF-LBPRGKRZSA-N 2 2 279.384 -0.487 20 30 CBEDLP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031919961 799563417 /nfs/dbraw/zinc/56/34/17/799563417.db2.gz NJAXECZESSQSKQ-AWEZNQCLSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031919961 799563421 /nfs/dbraw/zinc/56/34/21/799563421.db2.gz NJAXECZESSQSKQ-AWEZNQCLSA-N 2 2 279.384 -0.223 20 30 CBEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035599828 799952289 /nfs/dbraw/zinc/95/22/89/799952289.db2.gz MFDGZFAGYCAKFA-QWHCGFSZSA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001035599828 799952296 /nfs/dbraw/zinc/95/22/96/799952296.db2.gz MFDGZFAGYCAKFA-QWHCGFSZSA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035599828 799952301 /nfs/dbraw/zinc/95/23/01/799952301.db2.gz MFDGZFAGYCAKFA-QWHCGFSZSA-N 2 2 267.373 -0.059 20 30 CBEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035599828 799952306 /nfs/dbraw/zinc/95/23/06/799952306.db2.gz MFDGZFAGYCAKFA-QWHCGFSZSA-N 2 2 267.373 -0.059 20 30 CBEDLP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038142794 800062295 /nfs/dbraw/zinc/06/22/95/800062295.db2.gz QEXRRCCGSXSKLC-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038142794 800062301 /nfs/dbraw/zinc/06/23/01/800062301.db2.gz QEXRRCCGSXSKLC-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038142794 800062305 /nfs/dbraw/zinc/06/23/05/800062305.db2.gz QEXRRCCGSXSKLC-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038142794 800062310 /nfs/dbraw/zinc/06/23/10/800062310.db2.gz QEXRRCCGSXSKLC-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038265970 800091219 /nfs/dbraw/zinc/09/12/19/800091219.db2.gz KGQDSJZXACEHFX-CYBMUJFWSA-N 2 2 289.383 -0.118 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038265970 800091224 /nfs/dbraw/zinc/09/12/24/800091224.db2.gz KGQDSJZXACEHFX-CYBMUJFWSA-N 2 2 289.383 -0.118 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038396643 800105180 /nfs/dbraw/zinc/10/51/80/800105180.db2.gz SVQXBDGHBHNTIT-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038396643 800105184 /nfs/dbraw/zinc/10/51/84/800105184.db2.gz SVQXBDGHBHNTIT-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038396643 800105187 /nfs/dbraw/zinc/10/51/87/800105187.db2.gz SVQXBDGHBHNTIT-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038396643 800105191 /nfs/dbraw/zinc/10/51/91/800105191.db2.gz SVQXBDGHBHNTIT-FRRDWIJNSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038537812 800125521 /nfs/dbraw/zinc/12/55/21/800125521.db2.gz TYQKLJIGFJJPMU-IQXANGCESA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038537812 800125527 /nfs/dbraw/zinc/12/55/27/800125527.db2.gz TYQKLJIGFJJPMU-IQXANGCESA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038537812 800125532 /nfs/dbraw/zinc/12/55/32/800125532.db2.gz TYQKLJIGFJJPMU-IQXANGCESA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038537812 800125538 /nfs/dbraw/zinc/12/55/38/800125538.db2.gz TYQKLJIGFJJPMU-IQXANGCESA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001039039908 801283988 /nfs/dbraw/zinc/28/39/88/801283988.db2.gz QHUFULCYAPHIAS-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001039039908 801283993 /nfs/dbraw/zinc/28/39/93/801283993.db2.gz QHUFULCYAPHIAS-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039039908 801283996 /nfs/dbraw/zinc/28/39/96/801283996.db2.gz QHUFULCYAPHIAS-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039039908 801284000 /nfs/dbraw/zinc/28/40/00/801284000.db2.gz QHUFULCYAPHIAS-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039041605 801284025 /nfs/dbraw/zinc/28/40/25/801284025.db2.gz ZAOGDHPHXYYMBM-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039041605 801284028 /nfs/dbraw/zinc/28/40/28/801284028.db2.gz ZAOGDHPHXYYMBM-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039041605 801284032 /nfs/dbraw/zinc/28/40/32/801284032.db2.gz ZAOGDHPHXYYMBM-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039041605 801284035 /nfs/dbraw/zinc/28/40/35/801284035.db2.gz ZAOGDHPHXYYMBM-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041169783 801373350 /nfs/dbraw/zinc/37/33/50/801373350.db2.gz KXHHMDGJYLEAIG-GOEBONIOSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041169783 801373358 /nfs/dbraw/zinc/37/33/58/801373358.db2.gz KXHHMDGJYLEAIG-GOEBONIOSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041169783 801373360 /nfs/dbraw/zinc/37/33/60/801373360.db2.gz KXHHMDGJYLEAIG-GOEBONIOSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041169783 801373367 /nfs/dbraw/zinc/37/33/67/801373367.db2.gz KXHHMDGJYLEAIG-GOEBONIOSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001047529048 801895750 /nfs/dbraw/zinc/89/57/50/801895750.db2.gz OAHWIPMQWKNJKM-KBPBESRZSA-N 2 2 293.411 -0.145 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001047529048 801895756 /nfs/dbraw/zinc/89/57/56/801895756.db2.gz OAHWIPMQWKNJKM-KBPBESRZSA-N 2 2 293.411 -0.145 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047529048 801895768 /nfs/dbraw/zinc/89/57/68/801895768.db2.gz OAHWIPMQWKNJKM-KBPBESRZSA-N 2 2 293.411 -0.145 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001047528000 801895953 /nfs/dbraw/zinc/89/59/53/801895953.db2.gz LFCPUBGFOCSQRS-RDBSUJKOSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001047528000 801895962 /nfs/dbraw/zinc/89/59/62/801895962.db2.gz LFCPUBGFOCSQRS-RDBSUJKOSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001047528000 801895980 /nfs/dbraw/zinc/89/59/80/801895980.db2.gz LFCPUBGFOCSQRS-RDBSUJKOSA-N 2 2 279.384 -0.393 20 30 CBEDLP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001322136264 803866243 /nfs/dbraw/zinc/86/62/43/803866243.db2.gz RUQUOOXWUQMTFD-CHWSQXEVSA-N 2 2 267.373 -0.223 20 30 CBEDLP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001322136264 803866252 /nfs/dbraw/zinc/86/62/52/803866252.db2.gz RUQUOOXWUQMTFD-CHWSQXEVSA-N 2 2 267.373 -0.223 20 30 CBEDLP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001322136264 803866234 /nfs/dbraw/zinc/86/62/34/803866234.db2.gz RUQUOOXWUQMTFD-CHWSQXEVSA-N 2 2 267.373 -0.223 20 30 CBEDLP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001322136264 803866262 /nfs/dbraw/zinc/86/62/62/803866262.db2.gz RUQUOOXWUQMTFD-CHWSQXEVSA-N 2 2 267.373 -0.223 20 30 CBEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070284759 805179868 /nfs/dbraw/zinc/17/98/68/805179868.db2.gz SVCFWMYJDGJKDM-OLZOCXBDSA-N 2 2 299.338 -0.781 20 30 CBEDLP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073562396 805387559 /nfs/dbraw/zinc/38/75/59/805387559.db2.gz SQIOEBJNKYUYFJ-ZIAGYGMSSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073562396 805387570 /nfs/dbraw/zinc/38/75/70/805387570.db2.gz SQIOEBJNKYUYFJ-ZIAGYGMSSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073562396 805387578 /nfs/dbraw/zinc/38/75/78/805387578.db2.gz SQIOEBJNKYUYFJ-ZIAGYGMSSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073562396 805387582 /nfs/dbraw/zinc/38/75/82/805387582.db2.gz SQIOEBJNKYUYFJ-ZIAGYGMSSA-N 2 2 297.399 -0.290 20 30 CBEDLP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643514 805520611 /nfs/dbraw/zinc/52/06/11/805520611.db2.gz AEBOSYIRNNATAR-RRFJBIMHSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643514 805520615 /nfs/dbraw/zinc/52/06/15/805520615.db2.gz AEBOSYIRNNATAR-RRFJBIMHSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643514 805520617 /nfs/dbraw/zinc/52/06/17/805520617.db2.gz AEBOSYIRNNATAR-RRFJBIMHSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643514 805520620 /nfs/dbraw/zinc/52/06/20/805520620.db2.gz AEBOSYIRNNATAR-RRFJBIMHSA-N 2 2 291.395 -0.127 20 30 CBEDLP C=CC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151813971 815095584 /nfs/dbraw/zinc/09/55/84/815095584.db2.gz CQILJRJOFBYGAX-CYBMUJFWSA-N 2 2 267.373 -0.011 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnon2)CC1 ZINC001152330315 815114914 /nfs/dbraw/zinc/11/49/14/815114914.db2.gz LNNREQSKAVDEGQ-UHFFFAOYSA-N 2 2 291.355 -0.379 20 30 CBEDLP N#CCNC(=O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153338834 815159726 /nfs/dbraw/zinc/15/97/26/815159726.db2.gz ADFBXPYPOJZPRX-UHFFFAOYSA-N 2 2 292.343 -0.991 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1C ZINC001088631810 810347520 /nfs/dbraw/zinc/34/75/20/810347520.db2.gz HQQVXMZIDNXXIY-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C ZINC001088631810 810347527 /nfs/dbraw/zinc/34/75/27/810347527.db2.gz HQQVXMZIDNXXIY-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO)[C@@H]1C ZINC001088631810 810347533 /nfs/dbraw/zinc/34/75/33/810347533.db2.gz HQQVXMZIDNXXIY-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO)[C@@H]1C ZINC001088631810 810347540 /nfs/dbraw/zinc/34/75/40/810347540.db2.gz HQQVXMZIDNXXIY-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808713 810570948 /nfs/dbraw/zinc/57/09/48/810570948.db2.gz OCKUDGCEXUMKAG-UONOGXRCSA-N 2 2 290.367 -0.234 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001090808713 810570952 /nfs/dbraw/zinc/57/09/52/810570952.db2.gz OCKUDGCEXUMKAG-UONOGXRCSA-N 2 2 290.367 -0.234 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090817183 810572341 /nfs/dbraw/zinc/57/23/41/810572341.db2.gz REYHFVUPODLMOD-STQMWFEESA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090817183 810572350 /nfs/dbraw/zinc/57/23/50/810572350.db2.gz REYHFVUPODLMOD-STQMWFEESA-N 2 2 265.357 -0.733 20 30 CBEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847119 810574956 /nfs/dbraw/zinc/57/49/56/810574956.db2.gz NTQPXDBXSONWCP-NEPJUHHUSA-N 2 2 264.329 -0.380 20 30 CBEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847119 810574964 /nfs/dbraw/zinc/57/49/64/810574964.db2.gz NTQPXDBXSONWCP-NEPJUHHUSA-N 2 2 264.329 -0.380 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001097249395 810801249 /nfs/dbraw/zinc/80/12/49/810801249.db2.gz ZFQDTEMEOOMZGM-KBXIAJHMSA-N 2 2 291.395 -0.202 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001097249395 810801257 /nfs/dbraw/zinc/80/12/57/810801257.db2.gz ZFQDTEMEOOMZGM-KBXIAJHMSA-N 2 2 291.395 -0.202 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCO ZINC001097249395 810801263 /nfs/dbraw/zinc/80/12/63/810801263.db2.gz ZFQDTEMEOOMZGM-KBXIAJHMSA-N 2 2 291.395 -0.202 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCO ZINC001097249395 810801269 /nfs/dbraw/zinc/80/12/69/810801269.db2.gz ZFQDTEMEOOMZGM-KBXIAJHMSA-N 2 2 291.395 -0.202 20 30 CBEDLP CC#CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001317441337 816979540 /nfs/dbraw/zinc/97/95/40/816979540.db2.gz KJKLXPJPJGJKDF-LBPRGKRZSA-N 2 2 253.346 -0.612 20 30 CBEDLP CC#CC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001317441337 816979547 /nfs/dbraw/zinc/97/95/47/816979547.db2.gz KJKLXPJPJGJKDF-LBPRGKRZSA-N 2 2 253.346 -0.612 20 30 CBEDLP CC#CC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317441337 816979552 /nfs/dbraw/zinc/97/95/52/816979552.db2.gz KJKLXPJPJGJKDF-LBPRGKRZSA-N 2 2 253.346 -0.612 20 30 CBEDLP CC#CC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317441337 816979557 /nfs/dbraw/zinc/97/95/57/816979557.db2.gz KJKLXPJPJGJKDF-LBPRGKRZSA-N 2 2 253.346 -0.612 20 30 CBEDLP N#C[C@H]1CNCCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001157982792 815494563 /nfs/dbraw/zinc/49/45/63/815494563.db2.gz RBKASWOMKYLLNK-QWHCGFSZSA-N 2 2 273.340 -0.417 20 30 CBEDLP N#Cc1c[nH]c2nc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ncc12 ZINC001158206444 815513631 /nfs/dbraw/zinc/51/36/31/815513631.db2.gz ORXWPSIFCFNQFT-SECBINFHSA-N 2 2 283.295 -0.123 20 30 CBEDLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC001118506417 812562111 /nfs/dbraw/zinc/56/21/11/812562111.db2.gz PLBIILUABWZIKJ-ZDUSSCGKSA-N 2 2 293.367 -0.647 20 30 CBEDLP C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@@H]1C[N@H+](C)CCN1C ZINC001120589928 812996593 /nfs/dbraw/zinc/99/65/93/812996593.db2.gz HJOMRFPCTDPGPR-KKUMJFAQSA-N 2 2 297.447 -0.583 20 30 CBEDLP C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@@H]1C[N@@H+](C)CCN1C ZINC001120589928 812996600 /nfs/dbraw/zinc/99/66/00/812996600.db2.gz HJOMRFPCTDPGPR-KKUMJFAQSA-N 2 2 297.447 -0.583 20 30 CBEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC ZINC001123889718 813289604 /nfs/dbraw/zinc/28/96/04/813289604.db2.gz PZEUMRDLWXXHLQ-LBPRGKRZSA-N 2 2 293.371 -0.309 20 30 CBEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC ZINC001123889718 813289610 /nfs/dbraw/zinc/28/96/10/813289610.db2.gz PZEUMRDLWXXHLQ-LBPRGKRZSA-N 2 2 293.371 -0.309 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126447243 813648252 /nfs/dbraw/zinc/64/82/52/813648252.db2.gz BJNDPZJIEZCBBK-LLVKDONJSA-N 2 2 291.355 -0.814 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126448204 813650416 /nfs/dbraw/zinc/65/04/16/813650416.db2.gz PKCSAOYNVZUPKF-NSHDSACASA-N 2 2 293.371 -0.261 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130478181 813944019 /nfs/dbraw/zinc/94/40/19/813944019.db2.gz VDXPLDXIMLRRCA-CYBMUJFWSA-N 2 2 290.367 -0.199 20 30 CBEDLP C#CC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131822489 814071839 /nfs/dbraw/zinc/07/18/39/814071839.db2.gz PLIFLXOOOZLFNL-CQSZACIVSA-N 2 2 279.384 -0.174 20 30 CBEDLP C#CC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131822489 814071845 /nfs/dbraw/zinc/07/18/45/814071845.db2.gz PLIFLXOOOZLFNL-CQSZACIVSA-N 2 2 279.384 -0.174 20 30 CBEDLP C=CCC[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133254944 814234267 /nfs/dbraw/zinc/23/42/67/814234267.db2.gz IAPXTLYQPHATDU-ZDUSSCGKSA-N 2 2 293.371 -0.261 20 30 CBEDLP C=CCC[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133254944 814234272 /nfs/dbraw/zinc/23/42/72/814234272.db2.gz IAPXTLYQPHATDU-ZDUSSCGKSA-N 2 2 293.371 -0.261 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754295 814518884 /nfs/dbraw/zinc/51/88/84/814518884.db2.gz ACGCKKNOZORIRY-UHFFFAOYSA-N 2 2 250.302 -0.692 20 30 CBEDLP C=CCOCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871535 814921049 /nfs/dbraw/zinc/92/10/49/814921049.db2.gz ATAXUVPTGMKXBN-UHFFFAOYSA-N 2 2 266.345 -0.129 20 30 CBEDLP C#C[C@](C)([NH3+])C(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001160825553 815675111 /nfs/dbraw/zinc/67/51/11/815675111.db2.gz BXESYQMNCZGSFK-AWEZNQCLSA-N 2 2 273.340 -0.337 20 30 CBEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCO[C@@H](C#N)C1 ZINC001160879466 815683654 /nfs/dbraw/zinc/68/36/54/815683654.db2.gz QQDAWGZYGBGMGP-QWRGUYRKSA-N 2 2 263.301 -0.959 20 30 CBEDLP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161139193 815720119 /nfs/dbraw/zinc/72/01/19/815720119.db2.gz MWWPPIHABSIYRX-QFOLPQNPSA-N 2 2 252.293 -0.600 20 30 CBEDLP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161139192 815720924 /nfs/dbraw/zinc/72/09/24/815720924.db2.gz MWWPPIHABSIYRX-GMOBBJLQSA-N 2 2 252.293 -0.600 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001302759159 816756868 /nfs/dbraw/zinc/75/68/68/816756868.db2.gz LIKKLMBMPJKYJX-NSHDSACASA-N 2 2 252.318 -0.453 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001302759159 816756874 /nfs/dbraw/zinc/75/68/74/816756874.db2.gz LIKKLMBMPJKYJX-NSHDSACASA-N 2 2 252.318 -0.453 20 30 CBEDLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NCC#N ZINC001318608862 817127709 /nfs/dbraw/zinc/12/77/09/817127709.db2.gz YZVVDBHIDRAFHZ-LLVKDONJSA-N 2 2 292.343 -0.993 20 30 CBEDLP N#C[C@@H]1C[NH2+]CCN1c1ccc(N2CC[NH2+]CC2)cn1 ZINC001164652224 819933689 /nfs/dbraw/zinc/93/36/89/819933689.db2.gz PWRLMEDUUJMWQO-CYBMUJFWSA-N 2 2 272.356 -0.207 20 30 CBEDLP C=CC[NH2+][C@@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001283784033 828547919 /nfs/dbraw/zinc/54/79/19/828547919.db2.gz KWANVXVBEUZLPE-LLVKDONJSA-N 2 2 266.345 -0.395 20 30 CBEDLP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001192014904 823938751 /nfs/dbraw/zinc/93/87/51/823938751.db2.gz WUVHTWIOGRQGAN-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001192014904 823938761 /nfs/dbraw/zinc/93/87/61/823938761.db2.gz WUVHTWIOGRQGAN-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001192014904 823938767 /nfs/dbraw/zinc/93/87/67/823938767.db2.gz WUVHTWIOGRQGAN-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001192014904 823938773 /nfs/dbraw/zinc/93/87/73/823938773.db2.gz WUVHTWIOGRQGAN-MCIONIFRSA-N 2 2 297.399 -0.556 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640456 823979543 /nfs/dbraw/zinc/97/95/43/823979543.db2.gz YVZRTSUVDLCWSX-VXGBXAGGSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192640456 823979549 /nfs/dbraw/zinc/97/95/49/823979549.db2.gz YVZRTSUVDLCWSX-VXGBXAGGSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197034320 824176151 /nfs/dbraw/zinc/17/61/51/824176151.db2.gz MHGBSDQJSZRVTL-VXGBXAGGSA-N 2 2 253.346 -0.877 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197034320 824176155 /nfs/dbraw/zinc/17/61/55/824176155.db2.gz MHGBSDQJSZRVTL-VXGBXAGGSA-N 2 2 253.346 -0.877 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044192 824176900 /nfs/dbraw/zinc/17/69/00/824176900.db2.gz OCXYIYCRJWIOKQ-UHFFFAOYSA-N 2 2 294.399 -0.778 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197044192 824176903 /nfs/dbraw/zinc/17/69/03/824176903.db2.gz OCXYIYCRJWIOKQ-UHFFFAOYSA-N 2 2 294.399 -0.778 20 30 CBEDLP C#Cc1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)ccn1 ZINC001218519756 824580012 /nfs/dbraw/zinc/58/00/12/824580012.db2.gz DQAFHXQVVIPCNI-GFCCVEGCSA-N 2 2 255.281 -0.284 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812368 824898386 /nfs/dbraw/zinc/89/83/86/824898386.db2.gz ZWKKAVTVZXMEIP-OLZOCXBDSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219812368 824898393 /nfs/dbraw/zinc/89/83/93/824898393.db2.gz ZWKKAVTVZXMEIP-OLZOCXBDSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219812368 824898396 /nfs/dbraw/zinc/89/83/96/824898396.db2.gz ZWKKAVTVZXMEIP-OLZOCXBDSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219906841 824913740 /nfs/dbraw/zinc/91/37/40/824913740.db2.gz ZWVYVFLGFGQJBP-NEPJUHHUSA-N 2 2 267.373 -0.489 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219906841 824913744 /nfs/dbraw/zinc/91/37/44/824913744.db2.gz ZWVYVFLGFGQJBP-NEPJUHHUSA-N 2 2 267.373 -0.489 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219906841 824913748 /nfs/dbraw/zinc/91/37/48/824913748.db2.gz ZWVYVFLGFGQJBP-NEPJUHHUSA-N 2 2 267.373 -0.489 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219906841 824913749 /nfs/dbraw/zinc/91/37/49/824913749.db2.gz ZWVYVFLGFGQJBP-NEPJUHHUSA-N 2 2 267.373 -0.489 20 30 CBEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220236950 824990499 /nfs/dbraw/zinc/99/04/99/824990499.db2.gz LDVJBQYTLXLUEH-KGLIPLIRSA-N 2 2 297.399 -0.861 20 30 CBEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220236950 824990505 /nfs/dbraw/zinc/99/05/05/824990505.db2.gz LDVJBQYTLXLUEH-KGLIPLIRSA-N 2 2 297.399 -0.861 20 30 CBEDLP O=C(/C=C/NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)C(F)(F)F ZINC001220343606 825020310 /nfs/dbraw/zinc/02/03/10/825020310.db2.gz UVZSRDHYGZMLEU-SSWUGZLXSA-N 2 2 277.246 -0.301 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220542904 825061009 /nfs/dbraw/zinc/06/10/09/825061009.db2.gz UETOOERUPQPYMQ-KGLIPLIRSA-N 2 2 290.367 -0.234 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220542904 825061015 /nfs/dbraw/zinc/06/10/15/825061015.db2.gz UETOOERUPQPYMQ-KGLIPLIRSA-N 2 2 290.367 -0.234 20 30 CBEDLP C=C[C@H]1C[C@]1(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(=O)OCC ZINC001220570925 825062936 /nfs/dbraw/zinc/06/29/36/825062936.db2.gz DJEAPDUVAOXSHC-MTLGCJRHSA-N 2 2 293.367 -0.168 20 30 CBEDLP C=C[C@@H]1C[C@]1(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(=O)OCC ZINC001220570927 825064889 /nfs/dbraw/zinc/06/48/89/825064889.db2.gz DJEAPDUVAOXSHC-VIDBKGRSSA-N 2 2 293.367 -0.168 20 30 CBEDLP C=C[C@H]1C[C@@]1(NC(=O)C1([NH3+])CC[NH2+]CC1)C(=O)OCC ZINC001220571307 825067122 /nfs/dbraw/zinc/06/71/22/825067122.db2.gz OGIPQFZWVPJBCR-HZMBPMFUSA-N 2 2 281.356 -0.309 20 30 CBEDLP N#Cc1ccccc1OCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220685046 825083727 /nfs/dbraw/zinc/08/37/27/825083727.db2.gz LHFQHMVTRPBIBU-STQMWFEESA-N 2 2 288.351 -0.010 20 30 CBEDLP CC(C)C[C@H](C#N)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220700830 825087877 /nfs/dbraw/zinc/08/78/77/825087877.db2.gz PFQYATROXANUHM-DMDPSCGWSA-N 2 2 250.346 -0.008 20 30 CBEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220868197 825115184 /nfs/dbraw/zinc/11/51/84/825115184.db2.gz DUJNHFURJJOQFH-LBPRGKRZSA-N 3 2 266.389 -0.166 20 30 CBEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220868197 825115186 /nfs/dbraw/zinc/11/51/86/825115186.db2.gz DUJNHFURJJOQFH-LBPRGKRZSA-N 3 2 266.389 -0.166 20 30 CBEDLP N#Cc1cnc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)s1 ZINC001220872288 825118108 /nfs/dbraw/zinc/11/81/08/825118108.db2.gz SCLLUTMQQJNXGP-QPUJVOFHSA-N 2 2 277.353 -0.418 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985677 825132364 /nfs/dbraw/zinc/13/23/64/825132364.db2.gz BBJWWTVEKVBZNU-MJBXVCDLSA-N 2 2 297.399 -0.698 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985677 825132367 /nfs/dbraw/zinc/13/23/67/825132367.db2.gz BBJWWTVEKVBZNU-MJBXVCDLSA-N 2 2 297.399 -0.698 20 30 CBEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ccc(C#N)nc1 ZINC001221089204 825142932 /nfs/dbraw/zinc/14/29/32/825142932.db2.gz LRWDMQJHPYLOBH-ZDUSSCGKSA-N 2 2 284.323 -0.127 20 30 CBEDLP C=CCOC[C@@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019870 825622858 /nfs/dbraw/zinc/62/28/58/825622858.db2.gz AUYZLJFOLJXEFR-IHRRRGAJSA-N 2 2 269.389 -0.424 20 30 CBEDLP N#C[C@@H]1C[C@@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246620307 825697107 /nfs/dbraw/zinc/69/71/07/825697107.db2.gz XWUYCSZOAZIXMT-XUXIUFHCSA-N 2 2 263.389 -0.344 20 30 CBEDLP N#C[C@@H]1C[C@@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246620307 825697113 /nfs/dbraw/zinc/69/71/13/825697113.db2.gz XWUYCSZOAZIXMT-XUXIUFHCSA-N 2 2 263.389 -0.344 20 30 CBEDLP C[NH+]1CCC(C#N)(NC[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001251046961 825772217 /nfs/dbraw/zinc/77/22/17/825772217.db2.gz PXEWWVQTAKTHIA-ZDUSSCGKSA-N 2 2 282.388 -0.743 20 30 CBEDLP C#CCOC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001251894578 825803795 /nfs/dbraw/zinc/80/37/95/825803795.db2.gz XBVWTMHCYZVWGF-CYBMUJFWSA-N 2 2 294.355 -0.941 20 30 CBEDLP C#CCOC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001251894578 825803802 /nfs/dbraw/zinc/80/38/02/825803802.db2.gz XBVWTMHCYZVWGF-CYBMUJFWSA-N 2 2 294.355 -0.941 20 30 CBEDLP C=C[C@@](C)(O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252582123 825875776 /nfs/dbraw/zinc/87/57/76/825875776.db2.gz ONOGTNUCYOSCCR-CYBMUJFWSA-N 2 2 266.345 -0.015 20 30 CBEDLP C=C[C@@](C)(O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252582123 825875780 /nfs/dbraw/zinc/87/57/80/825875780.db2.gz ONOGTNUCYOSCCR-CYBMUJFWSA-N 2 2 266.345 -0.015 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC001263115772 826740224 /nfs/dbraw/zinc/74/02/24/826740224.db2.gz DBQZJCHBIUKOMQ-GFCCVEGCSA-N 2 2 281.356 -0.695 20 30 CBEDLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC(=O)NCC#N ZINC001265781404 826917771 /nfs/dbraw/zinc/91/77/71/826917771.db2.gz FOOCJJVVXVDVIM-JTQLQIEISA-N 2 2 292.343 -0.924 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001266180859 826960522 /nfs/dbraw/zinc/96/05/22/826960522.db2.gz OTTYYLYTTBTBMS-NSHDSACASA-N 2 2 291.355 -0.814 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266996705 827104985 /nfs/dbraw/zinc/10/49/85/827104985.db2.gz SRJYGNNIYRNMAL-RYUDHWBXSA-N 2 2 293.371 -0.332 20 30 CBEDLP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267072575 827113133 /nfs/dbraw/zinc/11/31/33/827113133.db2.gz FGLXRQYYKWQENB-AWEZNQCLSA-N 2 2 290.367 -0.029 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001267202832 827128075 /nfs/dbraw/zinc/12/80/75/827128075.db2.gz IMNTWPUESADLMN-CYBMUJFWSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001267202832 827128079 /nfs/dbraw/zinc/12/80/79/827128079.db2.gz IMNTWPUESADLMN-CYBMUJFWSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001267202832 827128082 /nfs/dbraw/zinc/12/80/82/827128082.db2.gz IMNTWPUESADLMN-CYBMUJFWSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001267202832 827128084 /nfs/dbraw/zinc/12/80/84/827128084.db2.gz IMNTWPUESADLMN-CYBMUJFWSA-N 2 2 296.415 -0.179 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267732542 827210624 /nfs/dbraw/zinc/21/06/24/827210624.db2.gz SZIVHWUDNPXDMR-STQMWFEESA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267732542 827210633 /nfs/dbraw/zinc/21/06/33/827210633.db2.gz SZIVHWUDNPXDMR-STQMWFEESA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001268029718 827246174 /nfs/dbraw/zinc/24/61/74/827246174.db2.gz YPNABCYDNRJYHQ-CQSZACIVSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001268029718 827246183 /nfs/dbraw/zinc/24/61/83/827246183.db2.gz YPNABCYDNRJYHQ-CQSZACIVSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1 ZINC001268502364 827344255 /nfs/dbraw/zinc/34/42/55/827344255.db2.gz OVVMUMQGGOERPE-UHFFFAOYSA-N 2 2 291.355 -0.929 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001272171790 827766527 /nfs/dbraw/zinc/76/65/27/827766527.db2.gz DXTLLXCHFUJYNC-UHFFFAOYSA-N 2 2 294.399 -0.778 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001272171790 827766533 /nfs/dbraw/zinc/76/65/33/827766533.db2.gz DXTLLXCHFUJYNC-UHFFFAOYSA-N 2 2 294.399 -0.778 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001272451413 827801443 /nfs/dbraw/zinc/80/14/43/827801443.db2.gz FKQGPJMGPXPVMV-VXGBXAGGSA-N 2 2 276.340 -0.855 20 30 CBEDLP C#CCN1C[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001273711483 827920941 /nfs/dbraw/zinc/92/09/41/827920941.db2.gz DXLCUNGFTKSWRC-HNNXBMFYSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CCN1C[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001273711483 827920943 /nfs/dbraw/zinc/92/09/43/827920943.db2.gz DXLCUNGFTKSWRC-HNNXBMFYSA-N 2 2 279.384 -0.125 20 30 CBEDLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001275526498 828097019 /nfs/dbraw/zinc/09/70/19/828097019.db2.gz GKDWVBPPFQLUFE-NXEZZACHSA-N 2 2 292.343 -0.925 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001276083087 828133550 /nfs/dbraw/zinc/13/35/50/828133550.db2.gz RMLGBWXOZWUESV-AWEZNQCLSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001276083087 828133553 /nfs/dbraw/zinc/13/35/53/828133553.db2.gz RMLGBWXOZWUESV-AWEZNQCLSA-N 2 2 293.411 -0.096 20 30 CBEDLP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001278104935 828247855 /nfs/dbraw/zinc/24/78/55/828247855.db2.gz BYFBXIGRWJOKQR-OLZOCXBDSA-N 2 2 290.367 -0.465 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001278809836 828291915 /nfs/dbraw/zinc/29/19/15/828291915.db2.gz IMOZJMJPQXECSW-STQMWFEESA-N 2 2 278.356 -0.124 20 30 CBEDLP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001278882434 828305146 /nfs/dbraw/zinc/30/51/46/828305146.db2.gz HIIZRRXYCUTLPY-AWEZNQCLSA-N 2 2 292.383 -0.263 20 30 CBEDLP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001278882434 828305153 /nfs/dbraw/zinc/30/51/53/828305153.db2.gz HIIZRRXYCUTLPY-AWEZNQCLSA-N 2 2 292.383 -0.263 20 30 CBEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278932092 828311903 /nfs/dbraw/zinc/31/19/03/828311903.db2.gz MMZXLMABDHTXAP-GFCCVEGCSA-N 2 2 267.373 -0.323 20 30 CBEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001278932092 828311912 /nfs/dbraw/zinc/31/19/12/828311912.db2.gz MMZXLMABDHTXAP-GFCCVEGCSA-N 2 2 267.373 -0.323 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001278922580 828312088 /nfs/dbraw/zinc/31/20/88/828312088.db2.gz ICJZOLHUVPPOSK-CYBMUJFWSA-N 2 2 279.384 -0.486 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001278922580 828312096 /nfs/dbraw/zinc/31/20/96/828312096.db2.gz ICJZOLHUVPPOSK-CYBMUJFWSA-N 2 2 279.384 -0.486 20 30 CBEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001327082646 885248000 /nfs/dbraw/zinc/24/80/00/885248000.db2.gz WDHFCXCIQDCLKJ-LBPRGKRZSA-N 2 2 264.329 -0.114 20 30 CBEDLP C=CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CCOC ZINC001332910866 887471017 /nfs/dbraw/zinc/47/10/17/887471017.db2.gz ZVEWPBRVQBSTFC-CYBMUJFWSA-N 2 2 285.388 -0.432 20 30 CBEDLP C=CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)CCOC ZINC001332910866 887471026 /nfs/dbraw/zinc/47/10/26/887471026.db2.gz ZVEWPBRVQBSTFC-CYBMUJFWSA-N 2 2 285.388 -0.432 20 30 CBEDLP C=CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)CCOC ZINC001332910866 887471041 /nfs/dbraw/zinc/47/10/41/887471041.db2.gz ZVEWPBRVQBSTFC-CYBMUJFWSA-N 2 2 285.388 -0.432 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001342126180 889713487 /nfs/dbraw/zinc/71/34/87/889713487.db2.gz NNYYDTZKWJQOCO-LBPRGKRZSA-N 2 2 251.330 -0.858 20 30 CBEDLP C=CC[NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001326157923 884927573 /nfs/dbraw/zinc/92/75/73/884927573.db2.gz BFUMOKOWZCBNRT-UHFFFAOYSA-N 2 2 252.318 -0.520 20 30 CBEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001327033788 885230981 /nfs/dbraw/zinc/23/09/81/885230981.db2.gz HJCKWQIHCFQHPS-ZDUSSCGKSA-N 2 2 276.340 -0.208 20 30 CBEDLP C=CC[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001328454851 885693291 /nfs/dbraw/zinc/69/32/91/885693291.db2.gz KZSDJECBMYJSRR-WFASDCNBSA-N 2 2 294.399 -0.249 20 30 CBEDLP C=CC[C@@]1(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001328454851 885693306 /nfs/dbraw/zinc/69/33/06/885693306.db2.gz KZSDJECBMYJSRR-WFASDCNBSA-N 2 2 294.399 -0.249 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001330882073 886613245 /nfs/dbraw/zinc/61/32/45/886613245.db2.gz BPSMWHGZMITBPL-WDMOLILDSA-N 2 2 281.356 -0.166 20 30 CBEDLP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001331740121 886949714 /nfs/dbraw/zinc/94/97/14/886949714.db2.gz NYWOOMVXJHZEPX-NWDGAFQWSA-N 2 2 276.340 -0.855 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001332575525 887361826 /nfs/dbraw/zinc/36/18/26/887361826.db2.gz PWTXDJVBKAJEAM-JHJVBQTASA-N 2 2 290.367 -0.434 20 30 CBEDLP C=CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)CCOC ZINC001332910866 887471008 /nfs/dbraw/zinc/47/10/08/887471008.db2.gz ZVEWPBRVQBSTFC-CYBMUJFWSA-N 2 2 285.388 -0.432 20 30 CBEDLP C[NH+]1CCC(C#N)(NC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001337067526 888956577 /nfs/dbraw/zinc/95/65/77/888956577.db2.gz FVRNVRZGDUQTLL-UHFFFAOYSA-N 2 2 294.399 -0.205 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001338491321 889167223 /nfs/dbraw/zinc/16/72/23/889167223.db2.gz HIZXIZYHQSKSOH-OLZOCXBDSA-N 2 2 266.389 -0.650 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001338491321 889167230 /nfs/dbraw/zinc/16/72/30/889167230.db2.gz HIZXIZYHQSKSOH-OLZOCXBDSA-N 2 2 266.389 -0.650 20 30 CBEDLP C#CC[NH2+]CC(=O)NCCCCN1CC[NH+](CC)CC1 ZINC001340249553 889415199 /nfs/dbraw/zinc/41/51/99/889415199.db2.gz PDQPLECLPCAEHL-UHFFFAOYSA-N 2 2 280.416 -0.257 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001340646274 889459701 /nfs/dbraw/zinc/45/97/01/889459701.db2.gz RSDZXAVFZGTNQE-ZIAGYGMSSA-N 2 2 291.395 -0.031 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001340865113 889501038 /nfs/dbraw/zinc/50/10/38/889501038.db2.gz NKYDFHKWOFDWLI-KBPBESRZSA-N 2 2 279.384 -0.031 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC001340939208 889516117 /nfs/dbraw/zinc/51/61/17/889516117.db2.gz CJHGBGWNRZIGBL-GFCCVEGCSA-N 2 2 253.346 -0.564 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC001340939208 889516129 /nfs/dbraw/zinc/51/61/29/889516129.db2.gz CJHGBGWNRZIGBL-GFCCVEGCSA-N 2 2 253.346 -0.564 20 30 CBEDLP C#CC[NH2+]CC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC001343453476 889911857 /nfs/dbraw/zinc/91/18/57/889911857.db2.gz OCJCCCFDRSSDEG-AWEZNQCLSA-N 2 2 280.416 -0.401 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@@H+](C)C(C)C ZINC001353064823 891356945 /nfs/dbraw/zinc/35/69/45/891356945.db2.gz XDXPAWVVPIMIHL-NSHDSACASA-N 2 2 271.361 -0.111 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@H+](C)C(C)C ZINC001353064823 891356957 /nfs/dbraw/zinc/35/69/57/891356957.db2.gz XDXPAWVVPIMIHL-NSHDSACASA-N 2 2 271.361 -0.111 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001353748436 891468229 /nfs/dbraw/zinc/46/82/29/891468229.db2.gz FNMPLHJUQQBYPX-LBPRGKRZSA-N 2 2 258.325 -0.001 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505721211 921473837 /nfs/dbraw/zinc/47/38/37/921473837.db2.gz SCRNYSVFKYJXRZ-QWRGUYRKSA-N 2 2 291.355 -0.816 20 30 CBEDLP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001507211232 921743601 /nfs/dbraw/zinc/74/36/01/921743601.db2.gz JYYBILDXYVSDDH-NWDGAFQWSA-N 2 2 276.340 -0.855 20 30 CBEDLP CCOCC[NH+]1CCN(C(=O)NCC#CC[NH+](C)C)CC1 ZINC001471629229 915605569 /nfs/dbraw/zinc/60/55/69/915605569.db2.gz IWIQVJFGCXLFNJ-UHFFFAOYSA-N 2 2 296.415 -0.085 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001479241238 916100260 /nfs/dbraw/zinc/10/02/60/916100260.db2.gz ACYIQPBQIJLGJD-CYBMUJFWSA-N 2 2 294.399 -0.780 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001479241238 916100276 /nfs/dbraw/zinc/10/02/76/916100276.db2.gz ACYIQPBQIJLGJD-CYBMUJFWSA-N 2 2 294.399 -0.780 20 30 CBEDLP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001479909857 916212009 /nfs/dbraw/zinc/21/20/09/916212009.db2.gz VHIFUJWQGIDSIF-LBPRGKRZSA-N 2 2 295.387 -0.842 20 30 CBEDLP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001479909857 916212030 /nfs/dbraw/zinc/21/20/30/916212030.db2.gz VHIFUJWQGIDSIF-LBPRGKRZSA-N 2 2 295.387 -0.842 20 30 CBEDLP COCC#CC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001481658546 916929912 /nfs/dbraw/zinc/92/99/12/916929912.db2.gz LVBUIJNOTLZKOK-UHFFFAOYSA-N 2 2 290.367 -0.111 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001481686463 916947551 /nfs/dbraw/zinc/94/75/51/916947551.db2.gz XWNAOEMTYUDFQK-STQMWFEESA-N 2 2 294.399 -0.427 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481686463 916947566 /nfs/dbraw/zinc/94/75/66/916947566.db2.gz XWNAOEMTYUDFQK-STQMWFEESA-N 2 2 294.399 -0.427 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481686463 916947575 /nfs/dbraw/zinc/94/75/75/916947575.db2.gz XWNAOEMTYUDFQK-STQMWFEESA-N 2 2 294.399 -0.427 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481686463 916947585 /nfs/dbraw/zinc/94/75/85/916947585.db2.gz XWNAOEMTYUDFQK-STQMWFEESA-N 2 2 294.399 -0.427 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)Cn1cc[nH+]c1 ZINC001481886068 917015127 /nfs/dbraw/zinc/01/51/27/917015127.db2.gz ZGFKQOGUGFKQGZ-GFCCVEGCSA-N 2 2 291.355 -0.883 20 30 CBEDLP C#CC[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001481923148 917019143 /nfs/dbraw/zinc/01/91/43/917019143.db2.gz RLAJPFBFVIKTAP-HIFRSBDPSA-N 2 2 279.384 -0.175 20 30 CBEDLP C#CC[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001481923148 917019154 /nfs/dbraw/zinc/01/91/54/917019154.db2.gz RLAJPFBFVIKTAP-HIFRSBDPSA-N 2 2 279.384 -0.175 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482728550 917233695 /nfs/dbraw/zinc/23/36/95/917233695.db2.gz HGNJKROLUOCDBM-CYBMUJFWSA-N 2 2 286.335 -0.044 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001486283328 918409342 /nfs/dbraw/zinc/40/93/42/918409342.db2.gz VLNCZCGUOTWVRM-IJLUTSLNSA-N 2 2 276.340 -0.445 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001486283328 918409345 /nfs/dbraw/zinc/40/93/45/918409345.db2.gz VLNCZCGUOTWVRM-IJLUTSLNSA-N 2 2 276.340 -0.445 20 30 CBEDLP C#CC[NH+](CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)CCOC ZINC001486433528 918461934 /nfs/dbraw/zinc/46/19/34/918461934.db2.gz GUQHEOGGSFYLDV-AWEZNQCLSA-N 2 2 297.399 -0.595 20 30 CBEDLP C#CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)CCOC ZINC001486433528 918461947 /nfs/dbraw/zinc/46/19/47/918461947.db2.gz GUQHEOGGSFYLDV-AWEZNQCLSA-N 2 2 297.399 -0.595 20 30 CBEDLP C#CC[N@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)CCOC ZINC001486433528 918461955 /nfs/dbraw/zinc/46/19/55/918461955.db2.gz GUQHEOGGSFYLDV-AWEZNQCLSA-N 2 2 297.399 -0.595 20 30 CBEDLP C#CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)CCOC ZINC001486433528 918461967 /nfs/dbraw/zinc/46/19/67/918461967.db2.gz GUQHEOGGSFYLDV-AWEZNQCLSA-N 2 2 297.399 -0.595 20 30 CBEDLP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001501363577 920980193 /nfs/dbraw/zinc/98/01/93/920980193.db2.gz AEUPAGPNDIQDPO-OAHLLOKOSA-N 2 2 290.367 -0.232 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001501363577 920980208 /nfs/dbraw/zinc/98/02/08/920980208.db2.gz AEUPAGPNDIQDPO-OAHLLOKOSA-N 2 2 290.367 -0.232 20 30 CBEDLP C#CC[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001544084527 923300395 /nfs/dbraw/zinc/30/03/95/923300395.db2.gz NVNYGWDPHAOYMK-HUUCEWRRSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001544084527 923300414 /nfs/dbraw/zinc/30/04/14/923300414.db2.gz NVNYGWDPHAOYMK-HUUCEWRRSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001544084527 923300426 /nfs/dbraw/zinc/30/04/26/923300426.db2.gz NVNYGWDPHAOYMK-HUUCEWRRSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC001544084527 923300437 /nfs/dbraw/zinc/30/04/37/923300437.db2.gz NVNYGWDPHAOYMK-HUUCEWRRSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000073228467 351654136 /nfs/dbraw/zinc/65/41/36/351654136.db2.gz GTEGIXBKNMWQEA-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000073228467 351654139 /nfs/dbraw/zinc/65/41/39/351654139.db2.gz GTEGIXBKNMWQEA-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000073228468 351654607 /nfs/dbraw/zinc/65/46/07/351654607.db2.gz GTEGIXBKNMWQEA-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000073228468 351654609 /nfs/dbraw/zinc/65/46/09/351654609.db2.gz GTEGIXBKNMWQEA-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000252453883 352377504 /nfs/dbraw/zinc/37/75/04/352377504.db2.gz YDJLGYSMVJPWOX-COPLHBTASA-N 2 2 262.357 -0.054 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC000305721159 352749701 /nfs/dbraw/zinc/74/97/01/352749701.db2.gz ILCRUKCZTMDUIN-CQSZACIVSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)O)CC1 ZINC000305721159 352749704 /nfs/dbraw/zinc/74/97/04/352749704.db2.gz ILCRUKCZTMDUIN-CQSZACIVSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)CO)CC1 ZINC000305697681 352749732 /nfs/dbraw/zinc/74/97/32/352749732.db2.gz AQMYFGXEUDGQDS-GFCCVEGCSA-N 2 2 253.346 -0.924 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)CO)CC1 ZINC000305697681 352749733 /nfs/dbraw/zinc/74/97/33/352749733.db2.gz AQMYFGXEUDGQDS-GFCCVEGCSA-N 2 2 253.346 -0.924 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CO)CC1 ZINC000305750957 352750755 /nfs/dbraw/zinc/75/07/55/352750755.db2.gz YZFUTNCGKBKANI-CABCVRRESA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)CC1 ZINC000305750957 352750759 /nfs/dbraw/zinc/75/07/59/352750759.db2.gz YZFUTNCGKBKANI-CABCVRRESA-N 2 2 293.411 -0.143 20 30 CBEDLP C[N@H+](CC(=O)NC1(C#N)CCC1)C1CC[NH+](CCO)CC1 ZINC000347046038 353394979 /nfs/dbraw/zinc/39/49/79/353394979.db2.gz GMSLIDSWHCEMQV-UHFFFAOYSA-N 2 2 294.399 -0.063 20 30 CBEDLP C[N@@H+](CC(=O)NC1(C#N)CCC1)C1CC[NH+](CCO)CC1 ZINC000347046038 353394983 /nfs/dbraw/zinc/39/49/83/353394983.db2.gz GMSLIDSWHCEMQV-UHFFFAOYSA-N 2 2 294.399 -0.063 20 30 CBEDLP C=CC[N@@H+](CCOCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000357079466 353601926 /nfs/dbraw/zinc/60/19/26/353601926.db2.gz LZYYKUYNVFTIDM-NSHDSACASA-N 2 2 262.375 -0.363 20 30 CBEDLP C=CC[N@H+](CCOCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000357079466 353601928 /nfs/dbraw/zinc/60/19/28/353601928.db2.gz LZYYKUYNVFTIDM-NSHDSACASA-N 2 2 262.375 -0.363 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420374094 354126513 /nfs/dbraw/zinc/12/65/13/354126513.db2.gz ZYACBUPKAQDHNF-VIFPVBQESA-N 2 2 256.350 -0.039 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](C(C)C)CC2)CC1 ZINC000490780702 354446837 /nfs/dbraw/zinc/44/68/37/354446837.db2.gz PLFJUQUDUOWCJQ-UHFFFAOYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2CCO)CC1 ZINC000491628623 354460208 /nfs/dbraw/zinc/46/02/08/354460208.db2.gz NNSBWKBGNHADLK-AWEZNQCLSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2CCO)CC1 ZINC000491628623 354460210 /nfs/dbraw/zinc/46/02/10/354460210.db2.gz NNSBWKBGNHADLK-AWEZNQCLSA-N 2 2 279.384 -0.389 20 30 CBEDLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600736478 355563852 /nfs/dbraw/zinc/56/38/52/355563852.db2.gz AHYZCLQEXPOLAJ-UONOGXRCSA-N 2 2 293.367 -0.190 20 30 CBEDLP N#Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)o1 ZINC000600767262 355566166 /nfs/dbraw/zinc/56/61/66/355566166.db2.gz AJEXIRYQJBTGQO-BXKDBHETSA-N 2 2 260.297 -0.105 20 30 CBEDLP N#Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)o1 ZINC000600767262 355566169 /nfs/dbraw/zinc/56/61/69/355566169.db2.gz AJEXIRYQJBTGQO-BXKDBHETSA-N 2 2 260.297 -0.105 20 30 CBEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603910664 355721387 /nfs/dbraw/zinc/72/13/87/355721387.db2.gz XATICADHYKYBLN-VXGBXAGGSA-N 2 2 250.346 -0.100 20 30 CBEDLP C=C[C@](C)(O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617762291 356155938 /nfs/dbraw/zinc/15/59/38/356155938.db2.gz LZMFNJOBJMQVTL-ZDUSSCGKSA-N 2 2 257.378 -0.077 20 30 CBEDLP C=C[C@](C)(O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617762291 356155940 /nfs/dbraw/zinc/15/59/40/356155940.db2.gz LZMFNJOBJMQVTL-ZDUSSCGKSA-N 2 2 257.378 -0.077 20 30 CBEDLP CC#CC[NH2+]Cc1cn(C[C@H](O)C[N@H+](C)C2CC2)nn1 ZINC000641222126 357681940 /nfs/dbraw/zinc/68/19/40/357681940.db2.gz KKZSPSPSXGSWKP-CQSZACIVSA-N 2 2 277.372 -0.154 20 30 CBEDLP CC#CC[NH2+]Cc1cn(C[C@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000641222126 357681942 /nfs/dbraw/zinc/68/19/42/357681942.db2.gz KKZSPSPSXGSWKP-CQSZACIVSA-N 2 2 277.372 -0.154 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251624360 220242483 /nfs/dbraw/zinc/24/24/83/220242483.db2.gz FBUCFOAMZRFMRW-NXEZZACHSA-N 2 2 254.334 -0.333 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251624360 220242486 /nfs/dbraw/zinc/24/24/86/220242486.db2.gz FBUCFOAMZRFMRW-NXEZZACHSA-N 2 2 254.334 -0.333 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261613629 220243678 /nfs/dbraw/zinc/24/36/78/220243678.db2.gz SUNWEXGFRUVBFI-CYBMUJFWSA-N 2 2 266.345 -0.316 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261613629 220243682 /nfs/dbraw/zinc/24/36/82/220243682.db2.gz SUNWEXGFRUVBFI-CYBMUJFWSA-N 2 2 266.345 -0.316 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261636994 220243955 /nfs/dbraw/zinc/24/39/55/220243955.db2.gz WOJHIRNBDUHQNR-WDEREUQCSA-N 2 2 266.345 -0.318 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261636994 220243959 /nfs/dbraw/zinc/24/39/59/220243959.db2.gz WOJHIRNBDUHQNR-WDEREUQCSA-N 2 2 266.345 -0.318 20 30 CBEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000329383604 220336370 /nfs/dbraw/zinc/33/63/70/220336370.db2.gz RFAYSMUYYGIVBC-ZDUSSCGKSA-N 2 2 299.419 -0.932 20 30 CBEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000329383604 220336373 /nfs/dbraw/zinc/33/63/73/220336373.db2.gz RFAYSMUYYGIVBC-ZDUSSCGKSA-N 2 2 299.419 -0.932 20 30 CBEDLP C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC2)C1 ZINC000328735356 220327811 /nfs/dbraw/zinc/32/78/11/220327811.db2.gz YZCXZZRPKZIYMS-NSHDSACASA-N 2 2 256.350 -0.474 20 30 CBEDLP C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC2)C1 ZINC000328735356 220327814 /nfs/dbraw/zinc/32/78/14/220327814.db2.gz YZCXZZRPKZIYMS-NSHDSACASA-N 2 2 256.350 -0.474 20 30 CBEDLP C=CCOCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669555275 544754484 /nfs/dbraw/zinc/75/44/84/544754484.db2.gz NFBOECDNISVIFF-NSHDSACASA-N 2 2 256.350 -0.527 20 30 CBEDLP C=CCOCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669555275 544754488 /nfs/dbraw/zinc/75/44/88/544754488.db2.gz NFBOECDNISVIFF-NSHDSACASA-N 2 2 256.350 -0.527 20 30 CBEDLP C(#CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000671240037 544805788 /nfs/dbraw/zinc/80/57/88/544805788.db2.gz BRWYUKHJAZWNSC-GEEKYZPCSA-N 3 2 274.412 -0.708 20 30 CBEDLP C(#CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000671240037 544805791 /nfs/dbraw/zinc/80/57/91/544805791.db2.gz BRWYUKHJAZWNSC-GEEKYZPCSA-N 3 2 274.412 -0.708 20 30 CBEDLP C(#CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000671240037 544805794 /nfs/dbraw/zinc/80/57/94/544805794.db2.gz BRWYUKHJAZWNSC-GEEKYZPCSA-N 4 2 274.412 -0.708 20 30 CBEDLP C(#CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000671240037 544805797 /nfs/dbraw/zinc/80/57/97/544805797.db2.gz BRWYUKHJAZWNSC-GEEKYZPCSA-N 4 2 274.412 -0.708 20 30 CBEDLP C(#CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000671240039 544805962 /nfs/dbraw/zinc/80/59/62/544805962.db2.gz BRWYUKHJAZWNSC-YHUYYLMFSA-N 3 2 274.412 -0.708 20 30 CBEDLP C(#CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000671240039 544805965 /nfs/dbraw/zinc/80/59/65/544805965.db2.gz BRWYUKHJAZWNSC-YHUYYLMFSA-N 3 2 274.412 -0.708 20 30 CBEDLP C(#CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000671240039 544805968 /nfs/dbraw/zinc/80/59/68/544805968.db2.gz BRWYUKHJAZWNSC-YHUYYLMFSA-N 3 2 274.412 -0.708 20 30 CBEDLP C=C(C)[C@H](CO)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686083 419925730 /nfs/dbraw/zinc/92/57/30/419925730.db2.gz XSLFGAKWTVQCSV-LBPRGKRZSA-N 2 2 255.362 -0.371 20 30 CBEDLP C=C(C)[C@H](CO)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686083 419925735 /nfs/dbraw/zinc/92/57/35/419925735.db2.gz XSLFGAKWTVQCSV-LBPRGKRZSA-N 2 2 255.362 -0.371 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000490951101 261263767 /nfs/dbraw/zinc/26/37/67/261263767.db2.gz WBJRGSMYJIWQPV-KKUMJFAQSA-N 2 2 291.395 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 ZINC000490951101 261263768 /nfs/dbraw/zinc/26/37/68/261263768.db2.gz WBJRGSMYJIWQPV-KKUMJFAQSA-N 2 2 291.395 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000490951109 261263967 /nfs/dbraw/zinc/26/39/67/261263967.db2.gz WBJRGSMYJIWQPV-ZNMIVQPWSA-N 2 2 291.395 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000490951109 261263970 /nfs/dbraw/zinc/26/39/70/261263970.db2.gz WBJRGSMYJIWQPV-ZNMIVQPWSA-N 2 2 291.395 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2C[C@@H](OC)C2)CC1 ZINC000491182087 261364749 /nfs/dbraw/zinc/36/47/49/261364749.db2.gz YGOPXETWRDYOGH-OKILXGFUSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2C[C@@H](OC)C2)CC1 ZINC000491182087 261364750 /nfs/dbraw/zinc/36/47/50/261364750.db2.gz YGOPXETWRDYOGH-OKILXGFUSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(OC)CC2)CC1 ZINC000490759368 332112573 /nfs/dbraw/zinc/11/25/73/332112573.db2.gz CTAAWCGIAMYASM-UHFFFAOYSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)COC)CC1 ZINC000490780124 332115268 /nfs/dbraw/zinc/11/52/68/332115268.db2.gz DEDPJZQJVJIWOF-UHFFFAOYSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](CC)[C@H](O)C2)CC1 ZINC000490892454 332125414 /nfs/dbraw/zinc/12/54/14/332125414.db2.gz LDOZJSYVCKXAMB-ZIAGYGMSSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](CC)[C@H](O)C2)CC1 ZINC000490892454 332125416 /nfs/dbraw/zinc/12/54/16/332125416.db2.gz LDOZJSYVCKXAMB-ZIAGYGMSSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)CC1 ZINC000490922623 332129460 /nfs/dbraw/zinc/12/94/60/332129460.db2.gz FJRYNVXSMMCYLL-GJZGRUSLSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)CC1 ZINC000490922623 332129461 /nfs/dbraw/zinc/12/94/61/332129461.db2.gz FJRYNVXSMMCYLL-GJZGRUSLSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C)(CO)CC2)CC1 ZINC000490971918 332134518 /nfs/dbraw/zinc/13/45/18/332134518.db2.gz DWCYMLIMNDXCGE-UHFFFAOYSA-N 2 2 293.411 -0.142 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)CCOC)CC1 ZINC000491096351 332147808 /nfs/dbraw/zinc/14/78/08/332147808.db2.gz ROYVREFBNKGWIY-UHFFFAOYSA-N 2 2 267.373 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CCOC)CC1 ZINC000491096351 332147810 /nfs/dbraw/zinc/14/78/10/332147810.db2.gz ROYVREFBNKGWIY-UHFFFAOYSA-N 2 2 267.373 -0.268 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000491295986 332183991 /nfs/dbraw/zinc/18/39/91/332183991.db2.gz KIQTTYCFAUOZOL-UHFFFAOYSA-N 2 2 296.415 -0.085 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000491295986 332183992 /nfs/dbraw/zinc/18/39/92/332183992.db2.gz KIQTTYCFAUOZOL-UHFFFAOYSA-N 2 2 296.415 -0.085 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2COC[C@H]2OCC)CC1 ZINC000491371889 332198725 /nfs/dbraw/zinc/19/87/25/332198725.db2.gz GZNLNNLHDUGRCU-ZIAGYGMSSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2C=C)CC1 ZINC000491553725 332236338 /nfs/dbraw/zinc/23/63/38/332236338.db2.gz CDTRIMLGJJDJCI-KGLIPLIRSA-N 2 2 277.368 -0.303 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000491554824 332237071 /nfs/dbraw/zinc/23/70/71/332237071.db2.gz MJFLAEWPTWEVKS-GOEBONIOSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000491652556 332265106 /nfs/dbraw/zinc/26/51/06/332265106.db2.gz AEQNLOXGBLAIHJ-RYUDHWBXSA-N 2 2 252.362 -0.072 20 30 CBEDLP C#C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000491652556 332265107 /nfs/dbraw/zinc/26/51/07/332265107.db2.gz AEQNLOXGBLAIHJ-RYUDHWBXSA-N 2 2 252.362 -0.072 20 30 CBEDLP C#C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000491652554 332265121 /nfs/dbraw/zinc/26/51/21/332265121.db2.gz AEQNLOXGBLAIHJ-NEPJUHHUSA-N 2 2 252.362 -0.072 20 30 CBEDLP C#C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000491652554 332265123 /nfs/dbraw/zinc/26/51/23/332265123.db2.gz AEQNLOXGBLAIHJ-NEPJUHHUSA-N 2 2 252.362 -0.072 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)C(C)(C)O)CC1 ZINC000491675106 332280925 /nfs/dbraw/zinc/28/09/25/332280925.db2.gz LNLWRGPKILXZMW-CYBMUJFWSA-N 2 2 281.400 -0.145 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)C(C)(C)O)CC1 ZINC000491675106 332280926 /nfs/dbraw/zinc/28/09/26/332280926.db2.gz LNLWRGPKILXZMW-CYBMUJFWSA-N 2 2 281.400 -0.145 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000491682184 332285208 /nfs/dbraw/zinc/28/52/08/332285208.db2.gz QFZBNIZBNKCQMG-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000491682184 332285210 /nfs/dbraw/zinc/28/52/10/332285210.db2.gz QFZBNIZBNKCQMG-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)CCCC)CC1 ZINC000491702889 332296910 /nfs/dbraw/zinc/29/69/10/332296910.db2.gz HEQWMNFJFBQXLV-UHFFFAOYSA-N 2 2 281.400 -0.142 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)CCCC)CC1 ZINC000491702889 332296911 /nfs/dbraw/zinc/29/69/11/332296911.db2.gz HEQWMNFJFBQXLV-UHFFFAOYSA-N 2 2 281.400 -0.142 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000491704462 332297896 /nfs/dbraw/zinc/29/78/96/332297896.db2.gz BMTFGVBREJJCNN-KBPBESRZSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@@H](C)CO)CC1 ZINC000491745619 332323616 /nfs/dbraw/zinc/32/36/16/332323616.db2.gz UBIIGYWARSENHI-QWHCGFSZSA-N 2 2 267.373 -0.630 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000491757816 332330237 /nfs/dbraw/zinc/33/02/37/332330237.db2.gz FTNRWIZIVFHXRO-NSHDSACASA-N 2 2 261.329 -0.330 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000491771085 332337678 /nfs/dbraw/zinc/33/76/78/332337678.db2.gz QXKBKZPHWKFOBQ-ZDUSSCGKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2CCO)CC1 ZINC000491777305 332342689 /nfs/dbraw/zinc/34/26/89/332342689.db2.gz WXKHGIGEIWVKBX-LSDHHAIUSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCCCO)CC1 ZINC000491780821 332345213 /nfs/dbraw/zinc/34/52/13/332345213.db2.gz LHADYWASZKWACJ-UHFFFAOYSA-N 2 2 281.400 -0.142 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCCCO)CC1 ZINC000491780821 332345215 /nfs/dbraw/zinc/34/52/15/332345215.db2.gz LHADYWASZKWACJ-UHFFFAOYSA-N 2 2 281.400 -0.142 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(CC(=O)OC)CC2)CC1 ZINC000491785460 332348488 /nfs/dbraw/zinc/34/84/88/332348488.db2.gz SFAYDDQHUMOSRR-UHFFFAOYSA-N 2 2 293.367 -0.551 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H](O)C2(C)C)CC1 ZINC000491810292 332363008 /nfs/dbraw/zinc/36/30/08/332363008.db2.gz ZAKXLDQMHONOLJ-OLZOCXBDSA-N 2 2 279.384 -0.487 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)CCC[C@H]2CO)CC1 ZINC000305819509 333000103 /nfs/dbraw/zinc/00/01/03/333000103.db2.gz AYGBLSJSMVXNKA-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)CCC[C@H]2CO)CC1 ZINC000305819509 333000104 /nfs/dbraw/zinc/00/01/04/333000104.db2.gz AYGBLSJSMVXNKA-CABCVRRESA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]([C@H](C)O)C2)CC1 ZINC000305850222 333000976 /nfs/dbraw/zinc/00/09/76/333000976.db2.gz JJWPDYUGTMRKCW-UONOGXRCSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@](C)(CC)C(N)=O)CC1 ZINC000133278550 334033201 /nfs/dbraw/zinc/03/32/01/334033201.db2.gz FGDAXXBUQXYZIP-CQSZACIVSA-N 2 2 280.372 -0.993 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581258858 336033299 /nfs/dbraw/zinc/03/32/99/336033299.db2.gz PGHFNHBGBQQSJH-UHFFFAOYSA-N 2 2 292.343 -0.457 20 30 CBEDLP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000581776891 336145566 /nfs/dbraw/zinc/14/55/66/336145566.db2.gz CEGOOLDLZDHAPY-CQSZACIVSA-N 3 2 295.431 -0.079 20 30 CBEDLP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000581776891 336145568 /nfs/dbraw/zinc/14/55/68/336145568.db2.gz CEGOOLDLZDHAPY-CQSZACIVSA-N 3 2 295.431 -0.079 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000725891279 582135978 /nfs/dbraw/zinc/13/59/78/582135978.db2.gz VYSOSXWGMHOVQD-OAHLLOKOSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000730285717 582150036 /nfs/dbraw/zinc/15/00/36/582150036.db2.gz GEXJEMPKTZTUOR-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000730285717 582150037 /nfs/dbraw/zinc/15/00/37/582150037.db2.gz GEXJEMPKTZTUOR-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000731843679 582154342 /nfs/dbraw/zinc/15/43/42/582154342.db2.gz WHAWLHUGQXJOMC-HNNXBMFYSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000731843679 582154343 /nfs/dbraw/zinc/15/43/43/582154343.db2.gz WHAWLHUGQXJOMC-HNNXBMFYSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000734487867 582170490 /nfs/dbraw/zinc/17/04/90/582170490.db2.gz XRTCFERUZZUVPJ-HUUCEWRRSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000734487867 582170491 /nfs/dbraw/zinc/17/04/91/582170491.db2.gz XRTCFERUZZUVPJ-HUUCEWRRSA-N 2 2 292.427 -0.164 20 30 CBEDLP C[C@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)C[N@@H+]1C ZINC000761801836 582316220 /nfs/dbraw/zinc/31/62/20/582316220.db2.gz QTBXPQYHCVPENH-NSHDSACASA-N 2 2 299.444 -0.137 20 30 CBEDLP C[C@H]1CC(=NNC(=S)NCC[NH+]2CCOCC2)C[N@H+]1C ZINC000761801836 582316221 /nfs/dbraw/zinc/31/62/21/582316221.db2.gz QTBXPQYHCVPENH-NSHDSACASA-N 2 2 299.444 -0.137 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000767184081 582331905 /nfs/dbraw/zinc/33/19/05/582331905.db2.gz NFYVLOKUUIWZMX-CQSZACIVSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C2CC2)CC1 ZINC000771807756 582341769 /nfs/dbraw/zinc/34/17/69/582341769.db2.gz LPILTMXXDNJVBU-CYBMUJFWSA-N 2 2 265.357 -0.876 20 30 CBEDLP C#C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000775806650 582353379 /nfs/dbraw/zinc/35/33/79/582353379.db2.gz MJNOFCURYCQFTN-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000783852374 582373112 /nfs/dbraw/zinc/37/31/12/582373112.db2.gz UZLOQWGPNSNWJE-AWEZNQCLSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000783852374 582373113 /nfs/dbraw/zinc/37/31/13/582373113.db2.gz UZLOQWGPNSNWJE-AWEZNQCLSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCOCC1 ZINC000783852374 582373114 /nfs/dbraw/zinc/37/31/14/582373114.db2.gz UZLOQWGPNSNWJE-AWEZNQCLSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCOCC1 ZINC000783852374 582373115 /nfs/dbraw/zinc/37/31/15/582373115.db2.gz UZLOQWGPNSNWJE-AWEZNQCLSA-N 2 2 279.384 -0.078 20 30 CBEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@@H]3CCOC3)cn2)CC1 ZINC000788448913 582386124 /nfs/dbraw/zinc/38/61/24/582386124.db2.gz UQAXWXBABHPILS-CYBMUJFWSA-N 2 2 290.371 -0.059 20 30 CBEDLP N#CC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000809575272 582445932 /nfs/dbraw/zinc/44/59/32/582445932.db2.gz XLOUWGPYRXNPMR-QWHCGFSZSA-N 2 2 253.346 -0.085 20 30 CBEDLP N#CC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000809575272 582445933 /nfs/dbraw/zinc/44/59/33/582445933.db2.gz XLOUWGPYRXNPMR-QWHCGFSZSA-N 2 2 253.346 -0.085 20 30 CBEDLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000809574999 582445994 /nfs/dbraw/zinc/44/59/94/582445994.db2.gz XBIGLZFJGWREKU-CYBMUJFWSA-N 2 2 282.388 -0.253 20 30 CBEDLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NCCC#N)CCO2 ZINC000830630043 582936607 /nfs/dbraw/zinc/93/66/07/582936607.db2.gz DPBSVRUPGFSVLG-UHFFFAOYSA-N 2 2 280.372 -0.187 20 30 CBEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NCCC#N)CCO2 ZINC000830630043 582936609 /nfs/dbraw/zinc/93/66/09/582936609.db2.gz DPBSVRUPGFSVLG-UHFFFAOYSA-N 2 2 280.372 -0.187 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000838112267 583148944 /nfs/dbraw/zinc/14/89/44/583148944.db2.gz INWDJJSCEFLKES-AWEZNQCLSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000838112267 583148946 /nfs/dbraw/zinc/14/89/46/583148946.db2.gz INWDJJSCEFLKES-AWEZNQCLSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000838112267 583148947 /nfs/dbraw/zinc/14/89/47/583148947.db2.gz INWDJJSCEFLKES-AWEZNQCLSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000838112267 583148948 /nfs/dbraw/zinc/14/89/48/583148948.db2.gz INWDJJSCEFLKES-AWEZNQCLSA-N 2 2 296.415 -0.039 20 30 CBEDLP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846676757 583382592 /nfs/dbraw/zinc/38/25/92/583382592.db2.gz GKXNZMMXWIPROH-CMPLNLGQSA-N 2 2 273.340 -0.010 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3COC[C@H]3C2)CC1 ZINC000852668743 583550586 /nfs/dbraw/zinc/55/05/86/583550586.db2.gz GPUGZOSFNJZILY-LSDHHAIUSA-N 2 2 291.395 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3COC[C@H]3C2)CC1 ZINC000852668743 583550587 /nfs/dbraw/zinc/55/05/87/583550587.db2.gz GPUGZOSFNJZILY-LSDHHAIUSA-N 2 2 291.395 -0.268 20 30 CBEDLP C[C@H]1C[N@H+](CCNC(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852863705 583563217 /nfs/dbraw/zinc/56/32/17/583563217.db2.gz QZQCIOPOVVDFOS-ZDUSSCGKSA-N 2 2 279.384 -0.174 20 30 CBEDLP C[C@H]1C[N@@H+](CCNC(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852863705 583563219 /nfs/dbraw/zinc/56/32/19/583563219.db2.gz QZQCIOPOVVDFOS-ZDUSSCGKSA-N 2 2 279.384 -0.174 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)CC1 ZINC000856792044 583661147 /nfs/dbraw/zinc/66/11/47/583661147.db2.gz XMGONFBWXQEUFM-HUUCEWRRSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)CC1 ZINC000856792044 583661149 /nfs/dbraw/zinc/66/11/49/583661149.db2.gz XMGONFBWXQEUFM-HUUCEWRRSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC2(C)COC2)CC1 ZINC000859565655 583724919 /nfs/dbraw/zinc/72/49/19/583724919.db2.gz PVISHMISRGLBHA-UHFFFAOYSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC2(C)COC2)CC1 ZINC000859565655 583724921 /nfs/dbraw/zinc/72/49/21/583724921.db2.gz PVISHMISRGLBHA-UHFFFAOYSA-N 2 2 279.384 -0.268 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876802811 584146768 /nfs/dbraw/zinc/14/67/68/584146768.db2.gz SKLQVLSARXZSDL-HHDBNCKJSA-N 2 2 264.329 -0.897 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccnn2C)CC1 ZINC000879684342 584244906 /nfs/dbraw/zinc/24/49/06/584244906.db2.gz IQOBJCGDPJUWNX-CYBMUJFWSA-N 2 2 289.383 -0.152 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000884006019 584355413 /nfs/dbraw/zinc/35/54/13/584355413.db2.gz DQTUIIJIMNQCKZ-NEPJUHHUSA-N 2 2 283.372 -0.109 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CC[NH2+]CC1 ZINC000884012195 584355607 /nfs/dbraw/zinc/35/56/07/584355607.db2.gz CJHSQNXMIBIEMX-NSHDSACASA-N 2 2 269.345 -0.451 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@H]1C ZINC000884018170 584355878 /nfs/dbraw/zinc/35/58/78/584355878.db2.gz PDMDGELMSOVSBP-ZJUUUORDSA-N 2 2 255.318 -0.747 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000884018295 584355981 /nfs/dbraw/zinc/35/59/81/584355981.db2.gz RTEKHADOADBCSO-QWRGUYRKSA-N 2 2 269.345 -0.309 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000884194094 584365342 /nfs/dbraw/zinc/36/53/42/584365342.db2.gz YYGHPVUCFMWHEM-MNOVXSKESA-N 2 2 280.328 -0.166 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884202224 584366153 /nfs/dbraw/zinc/36/61/53/584366153.db2.gz UDPCHNYHGHMLDY-PWSUYJOCSA-N 2 2 281.356 -0.214 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884202224 584366154 /nfs/dbraw/zinc/36/61/54/584366154.db2.gz UDPCHNYHGHMLDY-PWSUYJOCSA-N 2 2 281.356 -0.214 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000884244690 584369505 /nfs/dbraw/zinc/36/95/05/584369505.db2.gz JPMDLMYEDNSSMP-VWYCJHECSA-N 2 2 269.345 -0.358 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000884286241 584372293 /nfs/dbraw/zinc/37/22/93/584372293.db2.gz AFWNJDHAGSGYCL-MPPDQPJWSA-N 2 2 283.372 -0.064 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000884293937 584372413 /nfs/dbraw/zinc/37/24/13/584372413.db2.gz OTESYTSYUDQVNK-WOPDTQHZSA-N 2 2 281.356 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000884293025 584372534 /nfs/dbraw/zinc/37/25/34/584372534.db2.gz QMMQVXYYRSSANZ-WDEREUQCSA-N 2 2 281.356 -0.309 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[C@H](C)[NH+](C)C ZINC000884401294 584379314 /nfs/dbraw/zinc/37/93/14/584379314.db2.gz KHHDZELOPJNHQN-QWRGUYRKSA-N 2 2 271.361 -0.111 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000884438091 584381790 /nfs/dbraw/zinc/38/17/90/584381790.db2.gz UKSXBVRZNSERNG-AXFHLTTASA-N 2 2 269.345 -0.310 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000885509622 584416564 /nfs/dbraw/zinc/41/65/64/584416564.db2.gz UXLUWGBCAZTTLW-CYBMUJFWSA-N 2 2 296.396 -0.100 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000885509622 584416566 /nfs/dbraw/zinc/41/65/66/584416566.db2.gz UXLUWGBCAZTTLW-CYBMUJFWSA-N 2 2 296.396 -0.100 20 30 CBEDLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCN(O)C2=O)n1C ZINC000895157402 584672054 /nfs/dbraw/zinc/67/20/54/584672054.db2.gz CFCUCJDUMXWQKZ-SNVBAGLBSA-N 2 2 267.333 -0.044 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900690336 584821948 /nfs/dbraw/zinc/82/19/48/584821948.db2.gz QJYDQHWLLIPSST-OAHLLOKOSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900690336 584821950 /nfs/dbraw/zinc/82/19/50/584821950.db2.gz QJYDQHWLLIPSST-OAHLLOKOSA-N 2 2 279.384 -0.389 20 30 CBEDLP C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000900982561 584836560 /nfs/dbraw/zinc/83/65/60/584836560.db2.gz FZXLAIWUMVOGRW-CQSZACIVSA-N 2 2 299.415 -0.354 20 30 CBEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971271780 613082688 /nfs/dbraw/zinc/08/26/88/613082688.db2.gz QCYICMXICAZVLK-OLZOCXBDSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971271780 613082689 /nfs/dbraw/zinc/08/26/89/613082689.db2.gz QCYICMXICAZVLK-OLZOCXBDSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971271780 613082684 /nfs/dbraw/zinc/08/26/84/613082684.db2.gz QCYICMXICAZVLK-OLZOCXBDSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971271780 613082686 /nfs/dbraw/zinc/08/26/86/613082686.db2.gz QCYICMXICAZVLK-OLZOCXBDSA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000941455126 613114998 /nfs/dbraw/zinc/11/49/98/613114998.db2.gz LCAGSJZCVAEPDJ-OAHLLOKOSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970911852 613118315 /nfs/dbraw/zinc/11/83/15/613118315.db2.gz WPOSDLOBDBMZQP-TZMCWYRMSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970911852 613118318 /nfs/dbraw/zinc/11/83/18/613118318.db2.gz WPOSDLOBDBMZQP-TZMCWYRMSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962303318 613314129 /nfs/dbraw/zinc/31/41/29/613314129.db2.gz DPEIJGRVFGMBCS-IMRBUKKESA-N 2 2 258.325 -0.358 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962303318 613314131 /nfs/dbraw/zinc/31/41/31/613314131.db2.gz DPEIJGRVFGMBCS-IMRBUKKESA-N 2 2 258.325 -0.358 20 30 CBEDLP CC(C)[C@@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCN(C)CC1 ZINC000303777071 656139736 /nfs/dbraw/zinc/13/97/36/656139736.db2.gz INNNAXKRDHRPIQ-CQSZACIVSA-N 2 2 297.447 -0.095 20 30 CBEDLP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010426802 657184926 /nfs/dbraw/zinc/18/49/26/657184926.db2.gz JXKGQKHDXDMXHZ-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010426802 657184931 /nfs/dbraw/zinc/18/49/31/657184931.db2.gz JXKGQKHDXDMXHZ-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010426802 657184935 /nfs/dbraw/zinc/18/49/35/657184935.db2.gz JXKGQKHDXDMXHZ-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010426802 657184939 /nfs/dbraw/zinc/18/49/39/657184939.db2.gz JXKGQKHDXDMXHZ-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001016303168 657687531 /nfs/dbraw/zinc/68/75/31/657687531.db2.gz UJCPDROUPNAEHT-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001016303168 657687542 /nfs/dbraw/zinc/68/75/42/657687542.db2.gz UJCPDROUPNAEHT-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016303168 657687550 /nfs/dbraw/zinc/68/75/50/657687550.db2.gz UJCPDROUPNAEHT-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016303168 657687559 /nfs/dbraw/zinc/68/75/59/657687559.db2.gz UJCPDROUPNAEHT-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001016552174 657719009 /nfs/dbraw/zinc/71/90/09/657719009.db2.gz IYXOHEJMUQFNCY-ZIAGYGMSSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001016552174 657719018 /nfs/dbraw/zinc/71/90/18/657719018.db2.gz IYXOHEJMUQFNCY-ZIAGYGMSSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)C1 ZINC000923560266 658325185 /nfs/dbraw/zinc/32/51/85/658325185.db2.gz RHYZKMGWFRYQBK-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)C1 ZINC000923560266 658325199 /nfs/dbraw/zinc/32/51/99/658325199.db2.gz RHYZKMGWFRYQBK-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H](OC)C[NH+]2C)C1 ZINC000923560266 658325214 /nfs/dbraw/zinc/32/52/14/658325214.db2.gz RHYZKMGWFRYQBK-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H](OC)C[NH+]2C)C1 ZINC000923560266 658325225 /nfs/dbraw/zinc/32/52/25/658325225.db2.gz RHYZKMGWFRYQBK-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000923576198 658336439 /nfs/dbraw/zinc/33/64/39/658336439.db2.gz PJZQGQGFFNELFM-CABCVRRESA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000923576198 658336443 /nfs/dbraw/zinc/33/64/43/658336443.db2.gz PJZQGQGFFNELFM-CABCVRRESA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[NH+]1CCC(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000928655098 659061202 /nfs/dbraw/zinc/06/12/02/659061202.db2.gz KKUNBTUFMVRREO-CQSZACIVSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076594978 805584083 /nfs/dbraw/zinc/58/40/83/805584083.db2.gz ZXGAXLWDVAJIPM-ZNMIVQPWSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076594978 805584085 /nfs/dbraw/zinc/58/40/85/805584085.db2.gz ZXGAXLWDVAJIPM-ZNMIVQPWSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076594978 805584089 /nfs/dbraw/zinc/58/40/89/805584089.db2.gz ZXGAXLWDVAJIPM-ZNMIVQPWSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076594978 805584095 /nfs/dbraw/zinc/58/40/95/805584095.db2.gz ZXGAXLWDVAJIPM-ZNMIVQPWSA-N 2 2 291.395 -0.127 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076835648 805637635 /nfs/dbraw/zinc/63/76/35/805637635.db2.gz GNBDXGCSXUHDBM-JHJVBQTASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076835648 805637638 /nfs/dbraw/zinc/63/76/38/805637638.db2.gz GNBDXGCSXUHDBM-JHJVBQTASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076835648 805637643 /nfs/dbraw/zinc/63/76/43/805637643.db2.gz GNBDXGCSXUHDBM-JHJVBQTASA-N 2 2 283.372 -0.946 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076835648 805637647 /nfs/dbraw/zinc/63/76/47/805637647.db2.gz GNBDXGCSXUHDBM-JHJVBQTASA-N 2 2 283.372 -0.946 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001077280722 805709140 /nfs/dbraw/zinc/70/91/40/805709140.db2.gz JKKZQZPGIKMMFJ-RBSFLKMASA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077280722 805709143 /nfs/dbraw/zinc/70/91/43/805709143.db2.gz JKKZQZPGIKMMFJ-RBSFLKMASA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280722 805709144 /nfs/dbraw/zinc/70/91/44/805709144.db2.gz JKKZQZPGIKMMFJ-RBSFLKMASA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280722 805709146 /nfs/dbraw/zinc/70/91/46/805709146.db2.gz JKKZQZPGIKMMFJ-RBSFLKMASA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299699 805716511 /nfs/dbraw/zinc/71/65/11/805716511.db2.gz NPHLATVFSBCMLL-CHWSQXEVSA-N 2 2 277.368 -0.591 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001077299699 805716516 /nfs/dbraw/zinc/71/65/16/805716516.db2.gz NPHLATVFSBCMLL-CHWSQXEVSA-N 2 2 277.368 -0.591 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001077553701 805746192 /nfs/dbraw/zinc/74/61/92/805746192.db2.gz OTFABXCCMPBJGV-RRFJBIMHSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553701 805746203 /nfs/dbraw/zinc/74/62/03/805746203.db2.gz OTFABXCCMPBJGV-RRFJBIMHSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001077553701 805746210 /nfs/dbraw/zinc/74/62/10/805746210.db2.gz OTFABXCCMPBJGV-RRFJBIMHSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001077553701 805746218 /nfs/dbraw/zinc/74/62/18/805746218.db2.gz OTFABXCCMPBJGV-RRFJBIMHSA-N 2 2 293.411 -0.097 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077892702 805801879 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ZINC001083274835 806244534 /nfs/dbraw/zinc/24/45/34/806244534.db2.gz BMRMTNGYANPXLY-UONOGXRCSA-N 2 2 277.368 -0.373 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083456269 806331386 /nfs/dbraw/zinc/33/13/86/806331386.db2.gz OEFBHAIBHBPGGV-RDBSUJKOSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083456269 806331388 /nfs/dbraw/zinc/33/13/88/806331388.db2.gz OEFBHAIBHBPGGV-RDBSUJKOSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456269 806331396 /nfs/dbraw/zinc/33/13/96/806331396.db2.gz OEFBHAIBHBPGGV-RDBSUJKOSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456269 806331405 /nfs/dbraw/zinc/33/14/05/806331405.db2.gz OEFBHAIBHBPGGV-RDBSUJKOSA-N 2 2 279.384 -0.346 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583236 806375610 /nfs/dbraw/zinc/37/56/10/806375610.db2.gz YJMNCTZGSQWZMI-YUTCNCBUSA-N 2 2 290.367 -0.207 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583236 806375620 /nfs/dbraw/zinc/37/56/20/806375620.db2.gz YJMNCTZGSQWZMI-YUTCNCBUSA-N 2 2 290.367 -0.207 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645620 806390043 /nfs/dbraw/zinc/39/00/43/806390043.db2.gz KCCFIQFOOSNDEX-NEPJUHHUSA-N 2 2 264.329 -0.461 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645620 806390052 /nfs/dbraw/zinc/39/00/52/806390052.db2.gz KCCFIQFOOSNDEX-NEPJUHHUSA-N 2 2 264.329 -0.461 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@@H](O)C1 ZINC001083719085 806415360 /nfs/dbraw/zinc/41/53/60/806415360.db2.gz OTFABXCCMPBJGV-KFWWJZLASA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001083719085 806415363 /nfs/dbraw/zinc/41/53/63/806415363.db2.gz OTFABXCCMPBJGV-KFWWJZLASA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719085 806415365 /nfs/dbraw/zinc/41/53/65/806415365.db2.gz OTFABXCCMPBJGV-KFWWJZLASA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719085 806415371 /nfs/dbraw/zinc/41/53/71/806415371.db2.gz OTFABXCCMPBJGV-KFWWJZLASA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727246 806416594 /nfs/dbraw/zinc/41/65/94/806416594.db2.gz SQNQLVRLBSIZLM-FQUUOJAGSA-N 2 2 279.384 -0.489 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727246 806416600 /nfs/dbraw/zinc/41/66/00/806416600.db2.gz SQNQLVRLBSIZLM-FQUUOJAGSA-N 2 2 279.384 -0.489 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727246 806416603 /nfs/dbraw/zinc/41/66/03/806416603.db2.gz SQNQLVRLBSIZLM-FQUUOJAGSA-N 2 2 279.384 -0.489 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727246 806416605 /nfs/dbraw/zinc/41/66/05/806416605.db2.gz SQNQLVRLBSIZLM-FQUUOJAGSA-N 2 2 279.384 -0.489 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083998073 806474264 /nfs/dbraw/zinc/47/42/64/806474264.db2.gz SWASDNJFRBFTEX-OLZOCXBDSA-N 2 2 276.340 -0.555 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083998073 806474269 /nfs/dbraw/zinc/47/42/69/806474269.db2.gz SWASDNJFRBFTEX-OLZOCXBDSA-N 2 2 276.340 -0.555 20 30 CBEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115373 806491417 /nfs/dbraw/zinc/49/14/17/806491417.db2.gz MAUUHLHONQMAIA-NEPJUHHUSA-N 2 2 264.329 -0.380 20 30 CBEDLP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115373 806491422 /nfs/dbraw/zinc/49/14/22/806491422.db2.gz MAUUHLHONQMAIA-NEPJUHHUSA-N 2 2 264.329 -0.380 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084252185 806507692 /nfs/dbraw/zinc/50/76/92/806507692.db2.gz LXSSOECUEMWWMQ-KFWWJZLASA-N 2 2 291.395 -0.127 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084252185 806507695 /nfs/dbraw/zinc/50/76/95/806507695.db2.gz LXSSOECUEMWWMQ-KFWWJZLASA-N 2 2 291.395 -0.127 20 30 CBEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084252185 806507701 /nfs/dbraw/zinc/50/77/01/806507701.db2.gz LXSSOECUEMWWMQ-KFWWJZLASA-N 2 2 291.395 -0.127 20 30 CBEDLP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084252185 806507704 /nfs/dbraw/zinc/50/77/04/806507704.db2.gz LXSSOECUEMWWMQ-KFWWJZLASA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085670356 806593530 /nfs/dbraw/zinc/59/35/30/806593530.db2.gz VCPKDYCLIQZLKA-HZSPNIEDSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085670356 806593539 /nfs/dbraw/zinc/59/35/39/806593539.db2.gz VCPKDYCLIQZLKA-HZSPNIEDSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085670356 806593548 /nfs/dbraw/zinc/59/35/48/806593548.db2.gz VCPKDYCLIQZLKA-HZSPNIEDSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085670356 806593551 /nfs/dbraw/zinc/59/35/51/806593551.db2.gz VCPKDYCLIQZLKA-HZSPNIEDSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001030347217 799300820 /nfs/dbraw/zinc/30/08/20/799300820.db2.gz IRBWJSUTFQSGNP-KGLIPLIRSA-N 2 2 277.368 -0.327 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030347217 799300829 /nfs/dbraw/zinc/30/08/29/799300829.db2.gz IRBWJSUTFQSGNP-KGLIPLIRSA-N 2 2 277.368 -0.327 20 30 CBEDLP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001032197839 799594234 /nfs/dbraw/zinc/59/42/34/799594234.db2.gz XRGFCRQIKDBFFO-AWEZNQCLSA-N 2 2 279.384 -0.222 20 30 CBEDLP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001032197839 799594235 /nfs/dbraw/zinc/59/42/35/799594235.db2.gz XRGFCRQIKDBFFO-AWEZNQCLSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001033679852 799781418 /nfs/dbraw/zinc/78/14/18/799781418.db2.gz MHDKCGDKWLHTJY-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001033679852 799781423 /nfs/dbraw/zinc/78/14/23/799781423.db2.gz MHDKCGDKWLHTJY-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033679852 799781426 /nfs/dbraw/zinc/78/14/26/799781426.db2.gz MHDKCGDKWLHTJY-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033679852 799781432 /nfs/dbraw/zinc/78/14/32/799781432.db2.gz MHDKCGDKWLHTJY-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034149534 799815110 /nfs/dbraw/zinc/81/51/10/799815110.db2.gz XWCBGAILGNHPRV-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034149534 799815117 /nfs/dbraw/zinc/81/51/17/799815117.db2.gz XWCBGAILGNHPRV-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149534 799815123 /nfs/dbraw/zinc/81/51/23/799815123.db2.gz XWCBGAILGNHPRV-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149534 799815131 /nfs/dbraw/zinc/81/51/31/799815131.db2.gz XWCBGAILGNHPRV-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046218512 801740728 /nfs/dbraw/zinc/74/07/28/801740728.db2.gz JZLMHBMUEILPQN-HIFRSBDPSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046218512 801740733 /nfs/dbraw/zinc/74/07/33/801740733.db2.gz JZLMHBMUEILPQN-HIFRSBDPSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046218512 801740740 /nfs/dbraw/zinc/74/07/40/801740740.db2.gz JZLMHBMUEILPQN-HIFRSBDPSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046218512 801740742 /nfs/dbraw/zinc/74/07/42/801740742.db2.gz JZLMHBMUEILPQN-HIFRSBDPSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046221014 801741033 /nfs/dbraw/zinc/74/10/33/801741033.db2.gz WQROSKSASWEVGH-ZFWWWQNUSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046221014 801741036 /nfs/dbraw/zinc/74/10/36/801741036.db2.gz WQROSKSASWEVGH-ZFWWWQNUSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046221014 801741038 /nfs/dbraw/zinc/74/10/38/801741038.db2.gz WQROSKSASWEVGH-ZFWWWQNUSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046221014 801741041 /nfs/dbraw/zinc/74/10/41/801741041.db2.gz WQROSKSASWEVGH-ZFWWWQNUSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046420920 801762268 /nfs/dbraw/zinc/76/22/68/801762268.db2.gz NTVJDKPNVMYHKO-NFAWXSAZSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046420920 801762271 /nfs/dbraw/zinc/76/22/71/801762271.db2.gz NTVJDKPNVMYHKO-NFAWXSAZSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046420920 801762278 /nfs/dbraw/zinc/76/22/78/801762278.db2.gz NTVJDKPNVMYHKO-NFAWXSAZSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046420920 801762281 /nfs/dbraw/zinc/76/22/81/801762281.db2.gz NTVJDKPNVMYHKO-NFAWXSAZSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047429297 801868842 /nfs/dbraw/zinc/86/88/42/801868842.db2.gz SGJHSXUWMSXEHJ-ILXRZTDVSA-N 2 2 293.411 -0.003 20 30 CBEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047429297 801868847 /nfs/dbraw/zinc/86/88/47/801868847.db2.gz SGJHSXUWMSXEHJ-ILXRZTDVSA-N 2 2 293.411 -0.003 20 30 CBEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001047429297 801868854 /nfs/dbraw/zinc/86/88/54/801868854.db2.gz SGJHSXUWMSXEHJ-ILXRZTDVSA-N 2 2 293.411 -0.003 20 30 CBEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001047429297 801868862 /nfs/dbraw/zinc/86/88/62/801868862.db2.gz SGJHSXUWMSXEHJ-ILXRZTDVSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001047611927 801912367 /nfs/dbraw/zinc/91/23/67/801912367.db2.gz LVCURRXLFFFJND-KBPBESRZSA-N 2 2 290.367 -0.213 20 30 CBEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001047611927 801912369 /nfs/dbraw/zinc/91/23/69/801912369.db2.gz LVCURRXLFFFJND-KBPBESRZSA-N 2 2 290.367 -0.213 20 30 CBEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001054008343 802324053 /nfs/dbraw/zinc/32/40/53/802324053.db2.gz WSVINCVZEOANQE-UONOGXRCSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001054008343 802324061 /nfs/dbraw/zinc/32/40/61/802324061.db2.gz WSVINCVZEOANQE-UONOGXRCSA-N 2 2 291.395 -0.079 20 30 CBEDLP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001322136267 803865019 /nfs/dbraw/zinc/86/50/19/803865019.db2.gz RUQUOOXWUQMTFD-STQMWFEESA-N 2 2 267.373 -0.223 20 30 CBEDLP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001322136267 803865029 /nfs/dbraw/zinc/86/50/29/803865029.db2.gz RUQUOOXWUQMTFD-STQMWFEESA-N 2 2 267.373 -0.223 20 30 CBEDLP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001322136267 803865038 /nfs/dbraw/zinc/86/50/38/803865038.db2.gz RUQUOOXWUQMTFD-STQMWFEESA-N 2 2 267.373 -0.223 20 30 CBEDLP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001322136267 803865047 /nfs/dbraw/zinc/86/50/47/803865047.db2.gz RUQUOOXWUQMTFD-STQMWFEESA-N 2 2 267.373 -0.223 20 30 CBEDLP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001325198623 804257920 /nfs/dbraw/zinc/25/79/20/804257920.db2.gz QACQIDMTYVMYRO-ZDUSSCGKSA-N 2 2 297.399 -0.554 20 30 CBEDLP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001325198623 804257929 /nfs/dbraw/zinc/25/79/29/804257929.db2.gz QACQIDMTYVMYRO-ZDUSSCGKSA-N 2 2 297.399 -0.554 20 30 CBEDLP C#CCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151815430 815096062 /nfs/dbraw/zinc/09/60/62/815096062.db2.gz VNCAGMVKKAKGMD-CQSZACIVSA-N 2 2 279.384 -0.174 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OC ZINC001153486567 815163508 /nfs/dbraw/zinc/16/35/08/815163508.db2.gz ZEBWPCZKQYAKSU-NSHDSACASA-N 2 2 280.328 -0.272 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC ZINC001153486567 815163511 /nfs/dbraw/zinc/16/35/11/815163511.db2.gz ZEBWPCZKQYAKSU-NSHDSACASA-N 2 2 280.328 -0.272 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658639 810347628 /nfs/dbraw/zinc/34/76/28/810347628.db2.gz MZILCCWRNWHFKK-YIYPIFLZSA-N 2 2 279.384 -0.082 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658639 810347633 /nfs/dbraw/zinc/34/76/33/810347633.db2.gz MZILCCWRNWHFKK-YIYPIFLZSA-N 2 2 279.384 -0.082 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658639 810347639 /nfs/dbraw/zinc/34/76/39/810347639.db2.gz MZILCCWRNWHFKK-YIYPIFLZSA-N 2 2 279.384 -0.082 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658639 810347641 /nfs/dbraw/zinc/34/76/41/810347641.db2.gz MZILCCWRNWHFKK-YIYPIFLZSA-N 2 2 279.384 -0.082 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090431623 810497344 /nfs/dbraw/zinc/49/73/44/810497344.db2.gz AOCQSJYHCOOAIT-KBPBESRZSA-N 2 2 290.367 -0.234 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090431623 810497354 /nfs/dbraw/zinc/49/73/54/810497354.db2.gz AOCQSJYHCOOAIT-KBPBESRZSA-N 2 2 290.367 -0.234 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090431625 810498339 /nfs/dbraw/zinc/49/83/39/810498339.db2.gz AOCQSJYHCOOAIT-UONOGXRCSA-N 2 2 290.367 -0.234 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090431625 810498341 /nfs/dbraw/zinc/49/83/41/810498341.db2.gz AOCQSJYHCOOAIT-UONOGXRCSA-N 2 2 290.367 -0.234 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727354 810555358 /nfs/dbraw/zinc/55/53/58/810555358.db2.gz KBHGDVRTJFTRTR-KGLIPLIRSA-N 2 2 290.367 -0.463 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727354 810555362 /nfs/dbraw/zinc/55/53/62/810555362.db2.gz KBHGDVRTJFTRTR-KGLIPLIRSA-N 2 2 290.367 -0.463 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727353 810557304 /nfs/dbraw/zinc/55/73/04/810557304.db2.gz KBHGDVRTJFTRTR-KBPBESRZSA-N 2 2 290.367 -0.463 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727353 810557305 /nfs/dbraw/zinc/55/73/05/810557305.db2.gz KBHGDVRTJFTRTR-KBPBESRZSA-N 2 2 290.367 -0.463 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804397 810944907 /nfs/dbraw/zinc/94/49/07/810944907.db2.gz MSVOPFJBZOQMOW-NWDGAFQWSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804397 810944913 /nfs/dbraw/zinc/94/49/13/810944913.db2.gz MSVOPFJBZOQMOW-NWDGAFQWSA-N 2 2 276.340 -0.473 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099809622 810945617 /nfs/dbraw/zinc/94/56/17/810945617.db2.gz KLNQXKHVGREALV-CHWSQXEVSA-N 2 2 290.367 -0.083 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099809622 810945622 /nfs/dbraw/zinc/94/56/22/810945622.db2.gz KLNQXKHVGREALV-CHWSQXEVSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099871794 810957236 /nfs/dbraw/zinc/95/72/36/810957236.db2.gz KHMFMVITLQHDEL-UONOGXRCSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099871794 810957241 /nfs/dbraw/zinc/95/72/41/810957241.db2.gz KHMFMVITLQHDEL-UONOGXRCSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099871794 810957247 /nfs/dbraw/zinc/95/72/47/810957247.db2.gz KHMFMVITLQHDEL-UONOGXRCSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099871794 810957252 /nfs/dbraw/zinc/95/72/52/810957252.db2.gz KHMFMVITLQHDEL-UONOGXRCSA-N 2 2 290.367 -0.083 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939294 810971874 /nfs/dbraw/zinc/97/18/74/810971874.db2.gz CTIKXUMVJVOYQD-KGLIPLIRSA-N 2 2 290.367 -0.152 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939294 810971878 /nfs/dbraw/zinc/97/18/78/810971878.db2.gz CTIKXUMVJVOYQD-KGLIPLIRSA-N 2 2 290.367 -0.152 20 30 CBEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343187 811439370 /nfs/dbraw/zinc/43/93/70/811439370.db2.gz NLIRZKKWKKJRPU-HNNXBMFYSA-N 2 2 299.415 -0.042 20 30 CBEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108343187 811439375 /nfs/dbraw/zinc/43/93/75/811439375.db2.gz NLIRZKKWKKJRPU-HNNXBMFYSA-N 2 2 299.415 -0.042 20 30 CBEDLP N#Cc1c[nH]c2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c12 ZINC001158203450 815512687 /nfs/dbraw/zinc/51/26/87/815512687.db2.gz NJVHUWFIFZWEND-SECBINFHSA-N 2 2 283.295 -0.123 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001122120732 813119819 /nfs/dbraw/zinc/11/98/19/813119819.db2.gz LXQGANNYXDYKTA-GFCCVEGCSA-N 2 2 290.367 -0.620 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001129776013 813863733 /nfs/dbraw/zinc/86/37/33/813863733.db2.gz YYQSWOVMSSMYLM-LBPRGKRZSA-N 2 2 290.371 -0.882 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nncn1C ZINC001129776013 813863739 /nfs/dbraw/zinc/86/37/39/813863739.db2.gz YYQSWOVMSSMYLM-LBPRGKRZSA-N 2 2 290.371 -0.882 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131640213 814050084 /nfs/dbraw/zinc/05/00/84/814050084.db2.gz YDHMAKBDPVLMIF-UHFFFAOYSA-N 2 2 293.371 -0.639 20 30 CBEDLP C=CCN1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001160432031 815621294 /nfs/dbraw/zinc/62/12/94/815621294.db2.gz LLYKMSMIBYFULU-UHFFFAOYSA-N 2 2 252.362 -0.603 20 30 CBEDLP N#CCCN1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001160482205 815627696 /nfs/dbraw/zinc/62/76/96/815627696.db2.gz AVQCAHYPJMCUIJ-BZPMIXESSA-N 2 2 277.372 -0.734 20 30 CBEDLP C#CC[N@H+]1CCCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC001293715848 816525708 /nfs/dbraw/zinc/52/57/08/816525708.db2.gz MJNYJCWKKTXTJU-HNNXBMFYSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@@H+]1CCCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC001293715848 816525711 /nfs/dbraw/zinc/52/57/11/816525711.db2.gz MJNYJCWKKTXTJU-HNNXBMFYSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001316995587 816918027 /nfs/dbraw/zinc/91/80/27/816918027.db2.gz XXJVANLSXCYXAG-CYBMUJFWSA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001316995587 816918032 /nfs/dbraw/zinc/91/80/32/816918032.db2.gz XXJVANLSXCYXAG-CYBMUJFWSA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001316995587 816918038 /nfs/dbraw/zinc/91/80/38/816918038.db2.gz XXJVANLSXCYXAG-CYBMUJFWSA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001316995587 816918043 /nfs/dbraw/zinc/91/80/43/816918043.db2.gz XXJVANLSXCYXAG-CYBMUJFWSA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001317472354 816989139 /nfs/dbraw/zinc/98/91/39/816989139.db2.gz YEYPRYWMWAFLLH-LBPRGKRZSA-N 2 2 253.346 -0.612 20 30 CBEDLP C#CC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001317472354 816989142 /nfs/dbraw/zinc/98/91/42/816989142.db2.gz YEYPRYWMWAFLLH-LBPRGKRZSA-N 2 2 253.346 -0.612 20 30 CBEDLP C#CC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001317472354 816989146 /nfs/dbraw/zinc/98/91/46/816989146.db2.gz YEYPRYWMWAFLLH-LBPRGKRZSA-N 2 2 253.346 -0.612 20 30 CBEDLP C#CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001317472354 816989151 /nfs/dbraw/zinc/98/91/51/816989151.db2.gz YEYPRYWMWAFLLH-LBPRGKRZSA-N 2 2 253.346 -0.612 20 30 CBEDLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NCC#N ZINC001318608863 817127165 /nfs/dbraw/zinc/12/71/65/817127165.db2.gz YZVVDBHIDRAFHZ-NSHDSACASA-N 2 2 292.343 -0.993 20 30 CBEDLP CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)C[NH+]1CCCC1 ZINC001320080525 817275764 /nfs/dbraw/zinc/27/57/64/817275764.db2.gz MJHMRWJTFCSELP-UHFFFAOYSA-N 2 2 295.387 -0.888 20 30 CBEDLP CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)C[NH+]1CCCC1 ZINC001320080525 817275772 /nfs/dbraw/zinc/27/57/72/817275772.db2.gz MJHMRWJTFCSELP-UHFFFAOYSA-N 2 2 295.387 -0.888 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001320282460 817312377 /nfs/dbraw/zinc/31/23/77/817312377.db2.gz HXFSPZXQOSAHFW-OLZOCXBDSA-N 2 2 278.356 -0.076 20 30 CBEDLP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189517877 823763932 /nfs/dbraw/zinc/76/39/32/823763932.db2.gz WFVXAFWCXHEZIQ-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP N#C[C@@H]1C[NH2+]CCN1c1ncnc2c1CC[NH2+]CC2 ZINC001164625644 819932637 /nfs/dbraw/zinc/93/26/37/819932637.db2.gz IREDYEJLGBGYDS-SNVBAGLBSA-N 2 2 258.329 -0.533 20 30 CBEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517877 823763924 /nfs/dbraw/zinc/76/39/24/823763924.db2.gz WFVXAFWCXHEZIQ-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189517877 823763927 /nfs/dbraw/zinc/76/39/27/823763927.db2.gz WFVXAFWCXHEZIQ-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189517877 823763929 /nfs/dbraw/zinc/76/39/29/823763929.db2.gz WFVXAFWCXHEZIQ-KGLIPLIRSA-N 2 2 279.384 -0.127 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171228881 820351323 /nfs/dbraw/zinc/35/13/23/820351323.db2.gz VVEWCKSPRLKGPN-UHFFFAOYSA-N 2 2 293.371 -0.639 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177415070 820514381 /nfs/dbraw/zinc/51/43/81/820514381.db2.gz MLHJJEDPLFHMPD-GFCCVEGCSA-N 2 2 291.355 -0.883 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177415074 820514450 /nfs/dbraw/zinc/51/44/50/820514450.db2.gz MLHJJEDPLFHMPD-LBPRGKRZSA-N 2 2 291.355 -0.883 20 30 CBEDLP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001183044522 820969012 /nfs/dbraw/zinc/96/90/12/820969012.db2.gz JGIHQZRGVYTBJF-ZDUSSCGKSA-N 2 2 295.383 -0.046 20 30 CBEDLP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001183044522 820969016 /nfs/dbraw/zinc/96/90/16/820969016.db2.gz JGIHQZRGVYTBJF-ZDUSSCGKSA-N 2 2 295.383 -0.046 20 30 CBEDLP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001281165963 828406023 /nfs/dbraw/zinc/40/60/23/828406023.db2.gz AMULWCRCJASJNE-OAHLLOKOSA-N 2 2 290.367 -0.081 20 30 CBEDLP C#CCC[NH+]1CCC(CO)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001281821168 828426603 /nfs/dbraw/zinc/42/66/03/828426603.db2.gz XDJKWVBNWHUKFO-UHFFFAOYSA-N 2 2 290.367 -0.081 20 30 CBEDLP C=C(C)C[NH2+][C@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001283765653 828545344 /nfs/dbraw/zinc/54/53/44/828545344.db2.gz UYNDJMCOXDXISS-LBPRGKRZSA-N 2 2 266.345 -0.015 20 30 CBEDLP C=C(C)C[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001283765653 828545345 /nfs/dbraw/zinc/54/53/45/828545345.db2.gz UYNDJMCOXDXISS-LBPRGKRZSA-N 2 2 266.345 -0.015 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001283765009 828545382 /nfs/dbraw/zinc/54/53/82/828545382.db2.gz PQBWEYGLXPHMRN-NEPJUHHUSA-N 2 2 271.336 -0.880 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCF ZINC001283765009 828545383 /nfs/dbraw/zinc/54/53/83/828545383.db2.gz PQBWEYGLXPHMRN-NEPJUHHUSA-N 2 2 271.336 -0.880 20 30 CBEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001283764219 828545422 /nfs/dbraw/zinc/54/54/22/828545422.db2.gz KONLQSZLWFMNEC-GFCCVEGCSA-N 2 2 264.329 -0.568 20 30 CBEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001283764219 828545424 /nfs/dbraw/zinc/54/54/24/828545424.db2.gz KONLQSZLWFMNEC-GFCCVEGCSA-N 2 2 264.329 -0.568 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193756531 824045462 /nfs/dbraw/zinc/04/54/62/824045462.db2.gz SXVVKYXGNOMFJJ-JHJVBQTASA-N 2 2 265.357 -0.879 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193756531 824045469 /nfs/dbraw/zinc/04/54/69/824045469.db2.gz SXVVKYXGNOMFJJ-JHJVBQTASA-N 2 2 265.357 -0.879 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193792074 824046467 /nfs/dbraw/zinc/04/64/67/824046467.db2.gz WEYDXDANKXYWDE-MGPQQGTHSA-N 2 2 279.384 -0.489 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193792074 824046470 /nfs/dbraw/zinc/04/64/70/824046470.db2.gz WEYDXDANKXYWDE-MGPQQGTHSA-N 2 2 279.384 -0.489 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197029772 824175467 /nfs/dbraw/zinc/17/54/67/824175467.db2.gz ZJUUUMFDWFQIQE-UHFFFAOYSA-N 2 2 296.415 -0.225 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197029772 824175470 /nfs/dbraw/zinc/17/54/70/824175470.db2.gz ZJUUUMFDWFQIQE-UHFFFAOYSA-N 2 2 296.415 -0.225 20 30 CBEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001201857531 824336847 /nfs/dbraw/zinc/33/68/47/824336847.db2.gz VWHZSFMWDAQWOY-CQSZACIVSA-N 2 2 290.367 -0.197 20 30 CBEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202216344 824342584 /nfs/dbraw/zinc/34/25/84/824342584.db2.gz DAPOITSYEWFWTD-ZDUSSCGKSA-N 2 2 276.340 -0.277 20 30 CBEDLP N#Cc1ccnnc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218701322 824625430 /nfs/dbraw/zinc/62/54/30/824625430.db2.gz IICDVRVCHUYIEB-VIFPVBQESA-N 2 2 257.257 -0.420 20 30 CBEDLP N=C(c1ccccc1N)N(O)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218968506 824650855 /nfs/dbraw/zinc/65/08/55/824650855.db2.gz LPFWUIFXXMKCOP-XCBNKYQSSA-N 2 2 263.301 -0.499 20 30 CBEDLP N#Cc1cc(N)c(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1C#N ZINC001218987924 824650965 /nfs/dbraw/zinc/65/09/65/824650965.db2.gz UWNRUDPDVPJZDR-VIFPVBQESA-N 2 2 258.285 -0.373 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052143 824653733 /nfs/dbraw/zinc/65/37/33/824653733.db2.gz HYGLCVNFIDRQKD-UONOGXRCSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052143 824653738 /nfs/dbraw/zinc/65/37/38/824653738.db2.gz HYGLCVNFIDRQKD-UONOGXRCSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052143 824653741 /nfs/dbraw/zinc/65/37/41/824653741.db2.gz HYGLCVNFIDRQKD-UONOGXRCSA-N 2 2 279.384 -0.129 20 30 CBEDLP N#CC1(CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)CCC1 ZINC001219632824 824864984 /nfs/dbraw/zinc/86/49/84/824864984.db2.gz QUOUUGTYUVPSJI-LBPRGKRZSA-N 2 2 279.388 -0.453 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805918 824896088 /nfs/dbraw/zinc/89/60/88/824896088.db2.gz WEYDXDANKXYWDE-RDBSUJKOSA-N 2 2 279.384 -0.489 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219805918 824896092 /nfs/dbraw/zinc/89/60/92/824896092.db2.gz WEYDXDANKXYWDE-RDBSUJKOSA-N 2 2 279.384 -0.489 20 30 CBEDLP C=C(C)C(=O)OCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220124775 824960057 /nfs/dbraw/zinc/96/00/57/824960057.db2.gz KTQQLWJUAOYVOH-MFKMUULPSA-N 2 2 267.329 -0.827 20 30 CBEDLP C=C(C)C(=O)OCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220125106 824961363 /nfs/dbraw/zinc/96/13/63/824961363.db2.gz YFZUUNHFRAUDTC-SNVBAGLBSA-N 2 2 266.301 -0.485 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229203 824990927 /nfs/dbraw/zinc/99/09/27/824990927.db2.gz RWBQZUMBKCOTPD-NEPJUHHUSA-N 2 2 265.357 -0.877 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220229203 824990930 /nfs/dbraw/zinc/99/09/30/824990930.db2.gz RWBQZUMBKCOTPD-NEPJUHHUSA-N 2 2 265.357 -0.877 20 30 CBEDLP C=C[C@@H]1C[C@]1(NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)C(=O)OCC ZINC001220571190 825065455 /nfs/dbraw/zinc/06/54/55/825065455.db2.gz LJIHPJXNEYCPLS-FKGLVLAHSA-N 2 2 293.367 -0.438 20 30 CBEDLP C=C[C@@H]1C[C@@]1(NC(=O)C1([NH3+])CC[NH2+]CC1)C(=O)OCC ZINC001220571310 825066488 /nfs/dbraw/zinc/06/64/88/825066488.db2.gz OGIPQFZWVPJBCR-YGRLFVJLSA-N 2 2 281.356 -0.309 20 30 CBEDLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@@H]1O ZINC001220688291 825086633 /nfs/dbraw/zinc/08/66/33/825086633.db2.gz DQYUHMNRJIBSOG-KGLIPLIRSA-N 2 2 297.399 -0.861 20 30 CBEDLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@@H]1O ZINC001220688291 825086637 /nfs/dbraw/zinc/08/66/37/825086637.db2.gz DQYUHMNRJIBSOG-KGLIPLIRSA-N 2 2 297.399 -0.861 20 30 CBEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220688291 825086643 /nfs/dbraw/zinc/08/66/43/825086643.db2.gz DQYUHMNRJIBSOG-KGLIPLIRSA-N 2 2 297.399 -0.861 20 30 CBEDLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220688291 825086651 /nfs/dbraw/zinc/08/66/51/825086651.db2.gz DQYUHMNRJIBSOG-KGLIPLIRSA-N 2 2 297.399 -0.861 20 30 CBEDLP CC(C)C[C@@H](C#N)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220700175 825087726 /nfs/dbraw/zinc/08/77/26/825087726.db2.gz CHOZJLIQWAZAFQ-FIQHERPVSA-N 2 2 250.346 -0.009 20 30 CBEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1(C#N)CCOCC1 ZINC001220966880 825129842 /nfs/dbraw/zinc/12/98/42/825129842.db2.gz JXNKPWFLUTZXKQ-NSHDSACASA-N 2 2 277.328 -0.521 20 30 CBEDLP N#CC1(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCOCC1 ZINC001220967091 825130682 /nfs/dbraw/zinc/13/06/82/825130682.db2.gz REUXCEHIQWCJAJ-MFKMUULPSA-N 2 2 264.329 -0.873 20 30 CBEDLP C=CC[C@@](C)(NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)C(=O)OC ZINC001221382514 825179821 /nfs/dbraw/zinc/17/98/21/825179821.db2.gz UMUCYQZIMLKQEE-ZLKJLUDKSA-N 2 2 281.356 -0.438 20 30 CBEDLP C=CCCCNC(=S)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239438687 825603809 /nfs/dbraw/zinc/60/38/09/825603809.db2.gz IQAMGLKNZFKTIJ-UHFFFAOYSA-N 2 2 299.488 -0.089 20 30 CBEDLP C=CCOC[C@@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001252486680 825871245 /nfs/dbraw/zinc/87/12/45/825871245.db2.gz GVCWGLGQEAAFOR-NSHDSACASA-N 2 2 256.350 -0.678 20 30 CBEDLP C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001254685617 825968473 /nfs/dbraw/zinc/96/84/73/825968473.db2.gz LSNVGAGMOPWLCB-ZDUSSCGKSA-N 2 2 293.415 -0.274 20 30 CBEDLP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268317390 827295691 /nfs/dbraw/zinc/29/56/91/827295691.db2.gz XKWQWPYUPGMDFI-OLZOCXBDSA-N 2 2 290.367 -0.465 20 30 CBEDLP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268317393 827295885 /nfs/dbraw/zinc/29/58/85/827295885.db2.gz XKWQWPYUPGMDFI-QWHCGFSZSA-N 2 2 290.367 -0.465 20 30 CBEDLP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268317395 827295996 /nfs/dbraw/zinc/29/59/96/827295996.db2.gz XKWQWPYUPGMDFI-STQMWFEESA-N 2 2 290.367 -0.465 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268317760 827297171 /nfs/dbraw/zinc/29/71/71/827297171.db2.gz ZEXFXOQKENDILM-RYUDHWBXSA-N 2 2 276.340 -0.855 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001268484267 827340107 /nfs/dbraw/zinc/34/01/07/827340107.db2.gz DUMOKGHGMNRYRU-ZDUSSCGKSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001268484265 827340807 /nfs/dbraw/zinc/34/08/07/827340807.db2.gz DUMOKGHGMNRYRU-CYBMUJFWSA-N 2 2 279.384 -0.222 20 30 CBEDLP COCC#CC[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001268711522 827408590 /nfs/dbraw/zinc/40/85/90/827408590.db2.gz JQZBSZBQYNCWKY-LBPRGKRZSA-N 2 2 278.356 -0.293 20 30 CBEDLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001269078875 827461379 /nfs/dbraw/zinc/46/13/79/827461379.db2.gz WYKNRLGLOFQWFD-LBPRGKRZSA-N 2 2 295.387 -0.842 20 30 CBEDLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001269078875 827461381 /nfs/dbraw/zinc/46/13/81/827461381.db2.gz WYKNRLGLOFQWFD-LBPRGKRZSA-N 2 2 295.387 -0.842 20 30 CBEDLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001269078875 827461382 /nfs/dbraw/zinc/46/13/82/827461382.db2.gz WYKNRLGLOFQWFD-LBPRGKRZSA-N 2 2 295.387 -0.842 20 30 CBEDLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001269078875 827461384 /nfs/dbraw/zinc/46/13/84/827461384.db2.gz WYKNRLGLOFQWFD-LBPRGKRZSA-N 2 2 295.387 -0.842 20 30 CBEDLP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270190403 827552312 /nfs/dbraw/zinc/55/23/12/827552312.db2.gz SBXRUVWBLMMWGH-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270190403 827552318 /nfs/dbraw/zinc/55/23/18/827552318.db2.gz SBXRUVWBLMMWGH-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001272451022 827800107 /nfs/dbraw/zinc/80/01/07/827800107.db2.gz DKVZCHKXFDSSKT-VXGBXAGGSA-N 2 2 278.356 -0.302 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001272451407 827800777 /nfs/dbraw/zinc/80/07/77/827800777.db2.gz FKQGPJMGPXPVMV-NEPJUHHUSA-N 2 2 276.340 -0.855 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001272480089 827805971 /nfs/dbraw/zinc/80/59/71/827805971.db2.gz ZIOZAUQBLORCNX-LBPRGKRZSA-N 2 2 278.356 -0.557 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001272537044 827817510 /nfs/dbraw/zinc/81/75/10/827817510.db2.gz PKFGYSVRGVZPCX-YPMHNXCESA-N 2 2 278.356 -0.322 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001272537044 827817522 /nfs/dbraw/zinc/81/75/22/827817522.db2.gz PKFGYSVRGVZPCX-YPMHNXCESA-N 2 2 278.356 -0.322 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001272537042 827817736 /nfs/dbraw/zinc/81/77/36/827817736.db2.gz PKFGYSVRGVZPCX-DGCLKSJQSA-N 2 2 278.356 -0.322 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001272537042 827817746 /nfs/dbraw/zinc/81/77/46/827817746.db2.gz PKFGYSVRGVZPCX-DGCLKSJQSA-N 2 2 278.356 -0.322 20 30 CBEDLP C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001272567011 827823197 /nfs/dbraw/zinc/82/31/97/827823197.db2.gz JGWCEOKERGKUOY-NSHDSACASA-N 2 2 266.345 -0.097 20 30 CBEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001273365758 827894940 /nfs/dbraw/zinc/89/49/40/827894940.db2.gz NKTRONPVDGOIOI-ZDUSSCGKSA-N 2 2 276.340 -0.277 20 30 CBEDLP C[NH+](C)CCN1C(=O)COCC12C[NH+](CCCC#N)C2 ZINC001274040631 827954361 /nfs/dbraw/zinc/95/43/61/827954361.db2.gz WCSMOHZMNZQHAM-UHFFFAOYSA-N 2 2 280.372 -0.235 20 30 CBEDLP C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001275526502 828097293 /nfs/dbraw/zinc/09/72/93/828097293.db2.gz GKDWVBPPFQLUFE-ZJUUUORDSA-N 2 2 292.343 -0.925 20 30 CBEDLP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001278104973 828248218 /nfs/dbraw/zinc/24/82/18/828248218.db2.gz CQTBIILXRHPJMU-NWDGAFQWSA-N 2 2 278.356 -0.302 20 30 CBEDLP CC#CC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001278178829 828255600 /nfs/dbraw/zinc/25/56/00/828255600.db2.gz LHRWGYXKDKOEOI-LLVKDONJSA-N 2 2 264.329 -0.947 20 30 CBEDLP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001278882435 828303165 /nfs/dbraw/zinc/30/31/65/828303165.db2.gz HIIZRRXYCUTLPY-CQSZACIVSA-N 2 2 292.383 -0.263 20 30 CBEDLP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001278882435 828303169 /nfs/dbraw/zinc/30/31/69/828303169.db2.gz HIIZRRXYCUTLPY-CQSZACIVSA-N 2 2 292.383 -0.263 20 30 CBEDLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC001326308913 884980821 /nfs/dbraw/zinc/98/08/21/884980821.db2.gz HFECGROCDKPPHC-MNOVXSKESA-N 2 2 282.344 -0.629 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001331145930 886692253 /nfs/dbraw/zinc/69/22/53/886692253.db2.gz WEQWGNSQGRDOQQ-UHFFFAOYSA-N 2 2 278.400 -0.552 20 30 CBEDLP C=CCOCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338582014 889177793 /nfs/dbraw/zinc/17/77/93/889177793.db2.gz LJEVUKQNPADWBE-UHFFFAOYSA-N 2 2 270.377 -0.089 20 30 CBEDLP C#CC[NH2+]CC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001343453478 889913251 /nfs/dbraw/zinc/91/32/51/889913251.db2.gz OCJCCCFDRSSDEG-CQSZACIVSA-N 2 2 280.416 -0.401 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001330877901 886610172 /nfs/dbraw/zinc/61/01/72/886610172.db2.gz YXHXKDNEXWFHBR-SRVKXCTJSA-N 2 2 281.356 -0.214 20 30 CBEDLP C=CCC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001331823144 886996980 /nfs/dbraw/zinc/99/69/80/886996980.db2.gz CIXTYSGBWRGPFO-LLVKDONJSA-N 2 2 266.345 -0.395 20 30 CBEDLP C#C[C@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)[C@H]1CCCO1 ZINC001335509113 888549859 /nfs/dbraw/zinc/54/98/59/888549859.db2.gz JKXIRRSJYQTHAH-UONOGXRCSA-N 2 2 294.399 -0.111 20 30 CBEDLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC001336711199 888852454 /nfs/dbraw/zinc/85/24/54/888852454.db2.gz HWHPLVPAZDYDTK-STQMWFEESA-N 2 2 298.387 -0.841 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC001338505657 889169589 /nfs/dbraw/zinc/16/95/89/889169589.db2.gz RSVDZKZGMUJYEH-CQSZACIVSA-N 2 2 262.357 -0.069 20 30 CBEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC001343490161 889923242 /nfs/dbraw/zinc/92/32/42/889923242.db2.gz MLZCSYFLFCLMHN-NEPJUHHUSA-N 2 2 255.362 -0.195 20 30 CBEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC001343490161 889923249 /nfs/dbraw/zinc/92/32/49/889923249.db2.gz MLZCSYFLFCLMHN-NEPJUHHUSA-N 2 2 255.362 -0.195 20 30 CBEDLP C#CC[NH2+]CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001354747353 891612402 /nfs/dbraw/zinc/61/24/02/891612402.db2.gz JNAGGGMWSMITQK-GASCZTMLSA-N 3 2 290.411 -0.364 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC001357570538 891914868 /nfs/dbraw/zinc/91/48/68/891914868.db2.gz LHXFRKIEXPTQQU-LBPRGKRZSA-N 2 2 281.356 -0.695 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC001357570538 891914872 /nfs/dbraw/zinc/91/48/72/891914872.db2.gz LHXFRKIEXPTQQU-LBPRGKRZSA-N 2 2 281.356 -0.695 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001367620299 895709047 /nfs/dbraw/zinc/70/90/47/895709047.db2.gz SKZXPMXUZAGDJR-SECBINFHSA-N 2 2 272.736 -0.229 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001505937332 921503896 /nfs/dbraw/zinc/50/38/96/921503896.db2.gz BYASUXUQBYJRBQ-RYUDHWBXSA-N 2 2 280.372 -0.994 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001505937332 921503901 /nfs/dbraw/zinc/50/39/01/921503901.db2.gz BYASUXUQBYJRBQ-RYUDHWBXSA-N 2 2 280.372 -0.994 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001505937332 921503906 /nfs/dbraw/zinc/50/39/06/921503906.db2.gz BYASUXUQBYJRBQ-RYUDHWBXSA-N 2 2 280.372 -0.994 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001505937332 921503909 /nfs/dbraw/zinc/50/39/09/921503909.db2.gz BYASUXUQBYJRBQ-RYUDHWBXSA-N 2 2 280.372 -0.994 20 30 CBEDLP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001506845848 921627039 /nfs/dbraw/zinc/62/70/39/921627039.db2.gz WIXXZITUAHRGQI-AAEUAGOBSA-N 2 2 276.340 -0.209 20 30 CBEDLP C[C@H](NC(=O)NCC#CC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC001469310946 915397095 /nfs/dbraw/zinc/39/70/95/915397095.db2.gz AKRBNBXQPHAYMZ-STQMWFEESA-N 2 2 282.388 -0.430 20 30 CBEDLP C[C@H](NC(=O)NCC#CC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC001469310946 915397111 /nfs/dbraw/zinc/39/71/11/915397111.db2.gz AKRBNBXQPHAYMZ-STQMWFEESA-N 2 2 282.388 -0.430 20 30 CBEDLP CC#CC[NH2+][C@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001507237308 921771182 /nfs/dbraw/zinc/77/11/82/921771182.db2.gz PWJHHFQRZSHXJM-OLZOCXBDSA-N 2 2 278.356 -0.076 20 30 CBEDLP CC#CC[NH2+][C@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001507237311 921773782 /nfs/dbraw/zinc/77/37/82/921773782.db2.gz PWJHHFQRZSHXJM-STQMWFEESA-N 2 2 278.356 -0.076 20 30 CBEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001507246377 921780591 /nfs/dbraw/zinc/78/05/91/921780591.db2.gz JMOOBADLXKECFB-WCQYABFASA-N 2 2 278.356 -0.322 20 30 CBEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001507246377 921780606 /nfs/dbraw/zinc/78/06/06/921780606.db2.gz JMOOBADLXKECFB-WCQYABFASA-N 2 2 278.356 -0.322 20 30 CBEDLP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001480938297 916644388 /nfs/dbraw/zinc/64/43/88/916644388.db2.gz FCLSZJYFZFDYGJ-ZDUSSCGKSA-N 2 2 297.403 -0.740 20 30 CBEDLP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001480938297 916644400 /nfs/dbraw/zinc/64/44/00/916644400.db2.gz FCLSZJYFZFDYGJ-ZDUSSCGKSA-N 2 2 297.403 -0.740 20 30 CBEDLP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482376490 917140682 /nfs/dbraw/zinc/14/06/82/917140682.db2.gz ZTYKZMKABOWYRM-ZDUSSCGKSA-N 2 2 278.356 -0.031 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001482773086 917266140 /nfs/dbraw/zinc/26/61/40/917266140.db2.gz LVJBDRZIYXQUTK-VXGBXAGGSA-N 2 2 264.329 -0.466 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482770352 917266925 /nfs/dbraw/zinc/26/69/25/917266925.db2.gz QGXXCTBPKLMMEN-QJPTWQEYSA-N 2 2 278.356 -0.224 20 30 CBEDLP C=CC[NH2+]CCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001484500430 917879761 /nfs/dbraw/zinc/87/97/61/917879761.db2.gz TYXYYSLDLWEXMH-UHFFFAOYSA-N 2 2 266.345 -0.143 20 30 CBEDLP C=CC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001484861289 917951508 /nfs/dbraw/zinc/95/15/08/917951508.db2.gz NDPYEPXBEGXXNQ-CYBMUJFWSA-N 2 2 297.399 -0.242 20 30 CBEDLP C=CC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001484861289 917951516 /nfs/dbraw/zinc/95/15/16/917951516.db2.gz NDPYEPXBEGXXNQ-CYBMUJFWSA-N 2 2 297.399 -0.242 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001485424003 918123023 /nfs/dbraw/zinc/12/30/23/918123023.db2.gz OLFIZRTVUPEGNV-UHFFFAOYSA-N 2 2 281.400 -0.096 20 30 CBEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C[N@H+](C)CCC)C1 ZINC001485424003 918123031 /nfs/dbraw/zinc/12/30/31/918123031.db2.gz OLFIZRTVUPEGNV-UHFFFAOYSA-N 2 2 281.400 -0.096 20 30 CBEDLP C#CC[N@@H+](C)CCOCCNC(=O)Cc1c[nH+]cn1C ZINC001485778061 918191157 /nfs/dbraw/zinc/19/11/57/918191157.db2.gz WJCWENKBOSBRLL-UHFFFAOYSA-N 2 2 278.356 -0.340 20 30 CBEDLP C#CC[N@H+](C)CCOCCNC(=O)Cc1c[nH+]cn1C ZINC001485778061 918191165 /nfs/dbraw/zinc/19/11/65/918191165.db2.gz WJCWENKBOSBRLL-UHFFFAOYSA-N 2 2 278.356 -0.340 20 30 CBEDLP C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001486012085 918304971 /nfs/dbraw/zinc/30/49/71/918304971.db2.gz ZUKPIERSLAJIAE-RYUDHWBXSA-N 2 2 278.356 -0.302 20 30 CBEDLP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001486042174 918337581 /nfs/dbraw/zinc/33/75/81/918337581.db2.gz FWKGCEURIGFMIS-CMPLNLGQSA-N 2 2 266.345 -0.159 20 30 CBEDLP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001486042174 918337594 /nfs/dbraw/zinc/33/75/94/918337594.db2.gz FWKGCEURIGFMIS-CMPLNLGQSA-N 2 2 266.345 -0.159 20 30 CBEDLP CC#CC[NH2+][C@H](CO)CNC(=O)CCCn1cc[nH+]c1 ZINC001486066260 918356156 /nfs/dbraw/zinc/35/61/56/918356156.db2.gz QJBIMAPLGDIRML-ZDUSSCGKSA-N 2 2 278.356 -0.247 20 30 CBEDLP C#CCN1CC[NH+](CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001490500806 918922262 /nfs/dbraw/zinc/92/22/62/918922262.db2.gz KKQYYLLONSONFF-UHFFFAOYSA-N 2 2 292.427 -0.305 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001492090865 919324604 /nfs/dbraw/zinc/32/46/04/919324604.db2.gz QEQWMHCWWURYQZ-LLVKDONJSA-N 2 2 291.355 -0.814 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001493808993 919626809 /nfs/dbraw/zinc/62/68/09/919626809.db2.gz CHWPASCFMFCZCA-LBPRGKRZSA-N 2 2 293.371 -0.378 20 30 CBEDLP COCC#CC[NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001497686081 920369687 /nfs/dbraw/zinc/36/96/87/920369687.db2.gz RRSQGPQTOBEVHQ-NSCUHMNNSA-N 2 2 276.340 -0.136 20 30 CBEDLP COCC#CC[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001497997070 920436728 /nfs/dbraw/zinc/43/67/28/920436728.db2.gz HDKQJRSCNSVLME-GFCCVEGCSA-N 2 2 264.329 -0.373 20 30 CBEDLP COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001499048368 920688461 /nfs/dbraw/zinc/68/84/61/920688461.db2.gz CCWVAEFCKDLLOZ-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001499048368 920688475 /nfs/dbraw/zinc/68/84/75/920688475.db2.gz CCWVAEFCKDLLOZ-CYBMUJFWSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CC[N@H+]1CCC[C@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001501334113 920971939 /nfs/dbraw/zinc/97/19/39/920971939.db2.gz IRJITENLZCCSMV-HNNXBMFYSA-N 2 2 290.367 -0.232 20 30 CBEDLP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001501334113 920971955 /nfs/dbraw/zinc/97/19/55/920971955.db2.gz IRJITENLZCCSMV-HNNXBMFYSA-N 2 2 290.367 -0.232 20 30 CBEDLP C#CC[NH2+]CCN(CCO)C(=O)Cc1c[nH+]cn1C ZINC001501505813 921033009 /nfs/dbraw/zinc/03/30/09/921033009.db2.gz CVGJIMSFQWHTJP-UHFFFAOYSA-N 2 2 264.329 -0.994 20 30 CBEDLP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001507513740 921862851 /nfs/dbraw/zinc/86/28/51/921862851.db2.gz CKRAMZQQMXYYFZ-LBPRGKRZSA-N 2 2 294.355 -0.989 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300789 351391882 /nfs/dbraw/zinc/39/18/82/351391882.db2.gz GPUHWKBEFWIUNO-UHFFFAOYSA-N 2 2 254.334 -0.318 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300789 351391884 /nfs/dbraw/zinc/39/18/84/351391884.db2.gz GPUHWKBEFWIUNO-UHFFFAOYSA-N 2 2 254.334 -0.318 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000013694391 351338166 /nfs/dbraw/zinc/33/81/66/351338166.db2.gz NMBQYAXEGBEWCY-UHFFFAOYSA-N 2 2 263.345 -0.156 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000304695952 352747691 /nfs/dbraw/zinc/74/76/91/352747691.db2.gz IKLJDDYWFLWLIG-CYBMUJFWSA-N 2 2 265.357 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000304695952 352747693 /nfs/dbraw/zinc/74/76/93/352747693.db2.gz IKLJDDYWFLWLIG-CYBMUJFWSA-N 2 2 265.357 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C[C@@H](C)O)CC1 ZINC000305214753 352748757 /nfs/dbraw/zinc/74/87/57/352748757.db2.gz HZZJPGAPOHDNKO-HUUCEWRRSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)CC1 ZINC000305214753 352748759 /nfs/dbraw/zinc/74/87/59/352748759.db2.gz HZZJPGAPOHDNKO-HUUCEWRRSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000364426839 353672086 /nfs/dbraw/zinc/67/20/86/353672086.db2.gz DNMDKTBDVQLIOJ-AWEZNQCLSA-N 2 2 251.374 -0.042 20 30 CBEDLP C#CC[NH+]1CCN(C[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000364426839 353672089 /nfs/dbraw/zinc/67/20/89/353672089.db2.gz DNMDKTBDVQLIOJ-AWEZNQCLSA-N 2 2 251.374 -0.042 20 30 CBEDLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424133462 354209741 /nfs/dbraw/zinc/20/97/41/354209741.db2.gz MJMKSVSYOUKABC-RYUDHWBXSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424139278 354211419 /nfs/dbraw/zinc/21/14/19/354211419.db2.gz UYEBKASLEFDTPN-VXGBXAGGSA-N 2 2 268.361 -0.156 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C(C)(C)C)CC1 ZINC000491327628 354454217 /nfs/dbraw/zinc/45/42/17/354454217.db2.gz XBHFFNIAGSYIKW-CYBMUJFWSA-N 2 2 281.400 -0.240 20 30 CBEDLP C=CCN1CC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000519426529 354561926 /nfs/dbraw/zinc/56/19/26/354561926.db2.gz LJKXCRJPULGDOF-SRVKXCTJSA-N 2 2 278.356 -0.983 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000566863193 354776068 /nfs/dbraw/zinc/77/60/68/354776068.db2.gz JCCLLKZKEUWBOX-CQSZACIVSA-N 2 2 298.431 -0.781 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)CC)CC1 ZINC000566863193 354776073 /nfs/dbraw/zinc/77/60/73/354776073.db2.gz JCCLLKZKEUWBOX-CQSZACIVSA-N 2 2 298.431 -0.781 20 30 CBEDLP C=CCN1CC[C@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000570683596 354868070 /nfs/dbraw/zinc/86/80/70/354868070.db2.gz XNEQYDKYWHQJRR-KGLIPLIRSA-N 2 2 278.400 -0.247 20 30 CBEDLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NCC#N)CCO2 ZINC000592181035 355136619 /nfs/dbraw/zinc/13/66/19/355136619.db2.gz ANEHVHLNYVFWSR-UHFFFAOYSA-N 2 2 266.345 -0.577 20 30 CBEDLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NCC#N)CCO2 ZINC000592181035 355136621 /nfs/dbraw/zinc/13/66/21/355136621.db2.gz ANEHVHLNYVFWSR-UHFFFAOYSA-N 2 2 266.345 -0.577 20 30 CBEDLP C[N@@H+]1CCN(C(=O)CC2(C#N)CCOCC2)[C@H](C[NH3+])C1 ZINC000595925344 355319043 /nfs/dbraw/zinc/31/90/43/355319043.db2.gz ZHBOGAYGBDAABN-GFCCVEGCSA-N 2 2 280.372 -0.202 20 30 CBEDLP C[N@H+]1CCN(C(=O)CC2(C#N)CCOCC2)[C@H](C[NH3+])C1 ZINC000595925344 355319045 /nfs/dbraw/zinc/31/90/45/355319045.db2.gz ZHBOGAYGBDAABN-GFCCVEGCSA-N 2 2 280.372 -0.202 20 30 CBEDLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000602547859 355660229 /nfs/dbraw/zinc/66/02/29/355660229.db2.gz SSVZKVUZKQJMKB-RYUDHWBXSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000602547859 355660232 /nfs/dbraw/zinc/66/02/32/355660232.db2.gz SSVZKVUZKQJMKB-RYUDHWBXSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[N@H+](CCOCCC#N)CC(=O)N1CC[NH+](C)CC1 ZINC000602989223 355690352 /nfs/dbraw/zinc/69/03/52/355690352.db2.gz IAAWIBNVBGGRMT-UHFFFAOYSA-N 2 2 268.361 -0.378 20 30 CBEDLP C[N@@H+](CCOCCC#N)CC(=O)N1CC[NH+](C)CC1 ZINC000602989223 355690354 /nfs/dbraw/zinc/69/03/54/355690354.db2.gz IAAWIBNVBGGRMT-UHFFFAOYSA-N 2 2 268.361 -0.378 20 30 CBEDLP C[C@@H]1C[NH+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C)N1CC#N ZINC000602856799 355677065 /nfs/dbraw/zinc/67/70/65/355677065.db2.gz NPPMRAIZSOJLTQ-ZIAGYGMSSA-N 2 2 293.415 -0.321 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991633 357141454 /nfs/dbraw/zinc/14/14/54/357141454.db2.gz MJRLXQUPJHFWKY-UHFFFAOYSA-N 2 2 278.400 -0.342 20 30 CBEDLP C=CC[NH+]1CCC(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)CC1 ZINC000638101924 357417318 /nfs/dbraw/zinc/41/73/18/357417318.db2.gz SNUYWAILTLTUGO-LBPRGKRZSA-N 2 2 294.399 -0.427 20 30 CBEDLP CC#CC[NH2+]Cc1cn(C[C@@H](O)C[N@H+](C)C2CC2)nn1 ZINC000641222123 357681885 /nfs/dbraw/zinc/68/18/85/357681885.db2.gz KKZSPSPSXGSWKP-AWEZNQCLSA-N 2 2 277.372 -0.154 20 30 CBEDLP CC#CC[NH2+]Cc1cn(C[C@@H](O)C[N@@H+](C)C2CC2)nn1 ZINC000641222123 357681886 /nfs/dbraw/zinc/68/18/86/357681886.db2.gz KKZSPSPSXGSWKP-AWEZNQCLSA-N 2 2 277.372 -0.154 20 30 CBEDLP CNC(=O)NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000330901959 220366568 /nfs/dbraw/zinc/36/65/68/220366568.db2.gz RXHFDSKLLOYJHQ-JTQLQIEISA-N 2 2 286.376 -0.265 20 30 CBEDLP C=CCN1CC[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000337221561 220396404 /nfs/dbraw/zinc/39/64/04/220396404.db2.gz LHNBYCNWLCVHAH-ZDUSSCGKSA-N 2 2 294.399 -0.521 20 30 CBEDLP C=CCN1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1=O ZINC000337221561 220396406 /nfs/dbraw/zinc/39/64/06/220396406.db2.gz LHNBYCNWLCVHAH-ZDUSSCGKSA-N 2 2 294.399 -0.521 20 30 CBEDLP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH+](C)CCO2)[N@H+](C)C1 ZINC000328958249 286079730 /nfs/dbraw/zinc/07/97/30/286079730.db2.gz POZKBDNQLUPLQO-TUAOUCFPSA-N 2 2 271.361 -0.007 20 30 CBEDLP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[NH+](C)CCO2)[N@@H+](C)C1 ZINC000328958249 286079731 /nfs/dbraw/zinc/07/97/31/286079731.db2.gz POZKBDNQLUPLQO-TUAOUCFPSA-N 2 2 271.361 -0.007 20 30 CBEDLP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)[NH+](C)C1 ZINC000328958249 286079732 /nfs/dbraw/zinc/07/97/32/286079732.db2.gz POZKBDNQLUPLQO-TUAOUCFPSA-N 2 2 271.361 -0.007 20 30 CBEDLP CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[NH+](C)C1 ZINC000328958249 286079733 /nfs/dbraw/zinc/07/97/33/286079733.db2.gz POZKBDNQLUPLQO-TUAOUCFPSA-N 2 2 271.361 -0.007 20 30 CBEDLP C=CCN1CC[C@H]([NH2+]C2(CO)CC[NH2+]CC2)C1=O ZINC000662282522 419574392 /nfs/dbraw/zinc/57/43/92/419574392.db2.gz BCCQVMQFHSDIKZ-NSHDSACASA-N 2 2 253.346 -0.523 20 30 CBEDLP C(#CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000671240036 544806101 /nfs/dbraw/zinc/80/61/01/544806101.db2.gz BRWYUKHJAZWNSC-FPCVCCKLSA-N 3 2 274.412 -0.708 20 30 CBEDLP C(#CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000671240036 544806103 /nfs/dbraw/zinc/80/61/03/544806103.db2.gz BRWYUKHJAZWNSC-FPCVCCKLSA-N 3 2 274.412 -0.708 20 30 CBEDLP C(#CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000671240036 544806106 /nfs/dbraw/zinc/80/61/06/544806106.db2.gz BRWYUKHJAZWNSC-FPCVCCKLSA-N 3 2 274.412 -0.708 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000490951105 261263703 /nfs/dbraw/zinc/26/37/03/261263703.db2.gz WBJRGSMYJIWQPV-RRFJBIMHSA-N 2 2 291.395 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000490951105 261263704 /nfs/dbraw/zinc/26/37/04/261263704.db2.gz WBJRGSMYJIWQPV-RRFJBIMHSA-N 2 2 291.395 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000491039379 261304138 /nfs/dbraw/zinc/30/41/38/261304138.db2.gz OGKFEUXWCXJDLQ-HUUCEWRRSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000491039379 261304140 /nfs/dbraw/zinc/30/41/40/261304140.db2.gz OGKFEUXWCXJDLQ-HUUCEWRRSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000374186750 275383753 /nfs/dbraw/zinc/38/37/53/275383753.db2.gz GGSHSKPMVCRAHN-ZIAGYGMSSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000374186750 275383754 /nfs/dbraw/zinc/38/37/54/275383754.db2.gz GGSHSKPMVCRAHN-ZIAGYGMSSA-N 2 2 279.384 -0.222 20 30 CBEDLP C[NH+]1CCO[C@@H]2CN(C(=O)NC[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC000329536981 290076583 /nfs/dbraw/zinc/07/65/83/290076583.db2.gz BIJAYGSMGJUPLT-RWMBFGLXSA-N 2 2 298.387 -0.754 20 30 CBEDLP C[NH+]1CCO[C@@H]2CN(C(=O)NC[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC000329536981 290076587 /nfs/dbraw/zinc/07/65/87/290076587.db2.gz BIJAYGSMGJUPLT-RWMBFGLXSA-N 2 2 298.387 -0.754 20 30 CBEDLP C[NH+]1CCO[C@@H](CNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC000329536981 290076591 /nfs/dbraw/zinc/07/65/91/290076591.db2.gz BIJAYGSMGJUPLT-RWMBFGLXSA-N 2 2 298.387 -0.754 20 30 CBEDLP C[NH+]1CCO[C@@H](CNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC000329536981 290076594 /nfs/dbraw/zinc/07/65/94/290076594.db2.gz BIJAYGSMGJUPLT-RWMBFGLXSA-N 2 2 298.387 -0.754 20 30 CBEDLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](C[NH3+])C1 ZINC000580433992 330132491 /nfs/dbraw/zinc/13/24/91/330132491.db2.gz LQRCXMKHADOVSZ-QJPTWQEYSA-N 2 2 265.361 -0.037 20 30 CBEDLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](C[NH3+])C1 ZINC000580433992 330132493 /nfs/dbraw/zinc/13/24/93/330132493.db2.gz LQRCXMKHADOVSZ-QJPTWQEYSA-N 2 2 265.361 -0.037 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@H]2CO)CC1 ZINC000490718735 332108423 /nfs/dbraw/zinc/10/84/23/332108423.db2.gz JTRBEAYDISCQSR-UONOGXRCSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@H]2CO)CC1 ZINC000490718735 332108424 /nfs/dbraw/zinc/10/84/24/332108424.db2.gz JTRBEAYDISCQSR-UONOGXRCSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)CC1 ZINC000490740987 332111492 /nfs/dbraw/zinc/11/14/92/332111492.db2.gz SCXNUCISBOOOFZ-QWHCGFSZSA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)CC1 ZINC000490740987 332111493 /nfs/dbraw/zinc/11/14/93/332111493.db2.gz SCXNUCISBOOOFZ-QWHCGFSZSA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CO)C2)CC1 ZINC000490781110 332115512 /nfs/dbraw/zinc/11/55/12/332115512.db2.gz WGUIRCNSKMBIOZ-AWEZNQCLSA-N 2 2 279.384 -0.532 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000490781110 332115513 /nfs/dbraw/zinc/11/55/13/332115513.db2.gz WGUIRCNSKMBIOZ-AWEZNQCLSA-N 2 2 279.384 -0.532 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)[C@@H](CC)C2)CC1 ZINC000490892451 332125528 /nfs/dbraw/zinc/12/55/28/332125528.db2.gz LDOZJSYVCKXAMB-KBPBESRZSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)[C@@H](CC)C2)CC1 ZINC000490892451 332125529 /nfs/dbraw/zinc/12/55/29/332125529.db2.gz LDOZJSYVCKXAMB-KBPBESRZSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000490899421 332127366 /nfs/dbraw/zinc/12/73/66/332127366.db2.gz OUYPMTMVRWDRPT-UHFFFAOYSA-N 2 2 252.362 -0.055 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cnn(C)c2)CC1 ZINC000490948652 332132035 /nfs/dbraw/zinc/13/20/35/332132035.db2.gz GJGRVDDMNMVYMZ-ZDUSSCGKSA-N 2 2 289.383 -0.152 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)C(C)C)CC1 ZINC000491037241 332141201 /nfs/dbraw/zinc/14/12/01/332141201.db2.gz CJEXGOFNYZNVAO-CQSZACIVSA-N 2 2 281.400 -0.240 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000491266570 332177351 /nfs/dbraw/zinc/17/73/51/332177351.db2.gz PQDHOUVFPMCNAO-AWEZNQCLSA-N 2 2 280.416 -0.306 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000491266570 332177352 /nfs/dbraw/zinc/17/73/52/332177352.db2.gz PQDHOUVFPMCNAO-AWEZNQCLSA-N 2 2 280.416 -0.306 20 30 CBEDLP C#CCN[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000491327564 332191107 /nfs/dbraw/zinc/19/11/07/332191107.db2.gz WNOWDKSMBJVWDU-UHFFFAOYSA-N 2 2 258.329 -0.215 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000491618671 332245192 /nfs/dbraw/zinc/24/51/92/332245192.db2.gz AWFBNRPKRFVDDF-UHFFFAOYSA-N 3 2 295.431 -0.222 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000491618671 332245193 /nfs/dbraw/zinc/24/51/93/332245193.db2.gz AWFBNRPKRFVDDF-UHFFFAOYSA-N 3 2 295.431 -0.222 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)CN(C)C)CC1 ZINC000491646276 332263715 /nfs/dbraw/zinc/26/37/15/332263715.db2.gz SLIQOVFDHVXCAE-UHFFFAOYSA-N 2 2 280.416 -0.306 20 30 CBEDLP C#CCN1C(=O)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000491680966 332284392 /nfs/dbraw/zinc/28/43/92/332284392.db2.gz KVAZHTCSRWGROZ-NWDGAFQWSA-N 2 2 263.341 -0.322 20 30 CBEDLP C#CCN1C(=O)C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000491680966 332284393 /nfs/dbraw/zinc/28/43/93/332284393.db2.gz KVAZHTCSRWGROZ-NWDGAFQWSA-N 2 2 263.341 -0.322 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@H]2CC)CC1 ZINC000491717986 332307047 /nfs/dbraw/zinc/30/70/47/332307047.db2.gz SJORRLBULYLPTD-HUUCEWRRSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@H]2CC)CC1 ZINC000491717986 332307048 /nfs/dbraw/zinc/30/70/48/332307048.db2.gz SJORRLBULYLPTD-HUUCEWRRSA-N 2 2 293.411 -0.143 20 30 CBEDLP C=CCN1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000581192265 336022313 /nfs/dbraw/zinc/02/23/13/336022313.db2.gz MANOSTMATMRYHT-GFCCVEGCSA-N 2 2 280.372 -0.863 20 30 CBEDLP C=CCN1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH2+]CC2)C1=O ZINC000581192265 336022315 /nfs/dbraw/zinc/02/23/15/336022315.db2.gz MANOSTMATMRYHT-GFCCVEGCSA-N 2 2 280.372 -0.863 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000730273882 582149924 /nfs/dbraw/zinc/14/99/24/582149924.db2.gz CBTLPGUNAMSADL-ZDUSSCGKSA-N 2 2 292.383 -0.850 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000730273882 582149925 /nfs/dbraw/zinc/14/99/25/582149925.db2.gz CBTLPGUNAMSADL-ZDUSSCGKSA-N 2 2 292.383 -0.850 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOC)CC1 ZINC000732306299 582158446 /nfs/dbraw/zinc/15/84/46/582158446.db2.gz NXIYUNUVEMOKKV-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOC)CC1 ZINC000732306299 582158447 /nfs/dbraw/zinc/15/84/47/582158447.db2.gz NXIYUNUVEMOKKV-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP NC(=[NH2+])N[NH+]=Cc1c(N2CCOCC2)nc2ccccn21 ZINC000741811460 582270898 /nfs/dbraw/zinc/27/08/98/582270898.db2.gz XRIMDVOZFSHAMW-UHFFFAOYSA-N 2 2 287.327 -0.012 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CCO)C2)CC1 ZINC000748816524 582288658 /nfs/dbraw/zinc/28/86/58/582288658.db2.gz DQZGLUQULGDSOK-OAHLLOKOSA-N 2 2 293.411 -0.142 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CCO)C2)CC1 ZINC000748816524 582288659 /nfs/dbraw/zinc/28/86/59/582288659.db2.gz DQZGLUQULGDSOK-OAHLLOKOSA-N 2 2 293.411 -0.142 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000755139390 582301039 /nfs/dbraw/zinc/30/10/39/582301039.db2.gz NSSAUQRMDKPEKG-ZDUSSCGKSA-N 2 2 265.357 -0.780 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000755139390 582301040 /nfs/dbraw/zinc/30/10/40/582301040.db2.gz NSSAUQRMDKPEKG-ZDUSSCGKSA-N 2 2 265.357 -0.780 20 30 CBEDLP C#CCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC000776594151 582355518 /nfs/dbraw/zinc/35/55/18/582355518.db2.gz XDIUYEAPMDUHBE-UHFFFAOYSA-N 2 2 251.374 -0.041 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000779632443 582362141 /nfs/dbraw/zinc/36/21/41/582362141.db2.gz QATPCZBBOKNWHH-UHFFFAOYSA-N 2 2 258.325 -0.047 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(CC)CCOC2)CC1 ZINC000792437352 582395503 /nfs/dbraw/zinc/39/55/03/582395503.db2.gz NUQWAYYBPPCKNH-OAHLLOKOSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000794948365 582407209 /nfs/dbraw/zinc/40/72/09/582407209.db2.gz JODDCFQLQVWWSD-LSDHHAIUSA-N 2 2 290.411 -0.600 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000794948365 582407210 /nfs/dbraw/zinc/40/72/10/582407210.db2.gz JODDCFQLQVWWSD-LSDHHAIUSA-N 2 2 290.411 -0.600 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC000817288803 582490288 /nfs/dbraw/zinc/49/02/88/582490288.db2.gz NEZAOOOGTDRWFW-ZIAGYGMSSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)CC[C@H]2C)CC1 ZINC000817288803 582490290 /nfs/dbraw/zinc/49/02/90/582490290.db2.gz NEZAOOOGTDRWFW-ZIAGYGMSSA-N 2 2 279.384 -0.391 20 30 CBEDLP N#CC[C@]1(O)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000829974914 582911313 /nfs/dbraw/zinc/91/13/13/582911313.db2.gz MCKNKZQEJTYPDJ-OLZOCXBDSA-N 2 2 253.346 -0.206 20 30 CBEDLP N#CC[C@]1(O)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000829974914 582911315 /nfs/dbraw/zinc/91/13/15/582911315.db2.gz MCKNKZQEJTYPDJ-OLZOCXBDSA-N 2 2 253.346 -0.206 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000834504700 583128004 /nfs/dbraw/zinc/12/80/04/583128004.db2.gz DNDMPBCUUPKGBF-KWCYVHTRSA-N 2 2 292.383 -0.142 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000834504700 583128007 /nfs/dbraw/zinc/12/80/07/583128007.db2.gz DNDMPBCUUPKGBF-KWCYVHTRSA-N 2 2 292.383 -0.142 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000834504702 583128016 /nfs/dbraw/zinc/12/80/16/583128016.db2.gz DNDMPBCUUPKGBF-MRVWCRGKSA-N 2 2 292.383 -0.142 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000834504702 583128019 /nfs/dbraw/zinc/12/80/19/583128019.db2.gz DNDMPBCUUPKGBF-MRVWCRGKSA-N 2 2 292.383 -0.142 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000848419649 583445709 /nfs/dbraw/zinc/44/57/09/583445709.db2.gz ZXXOLACFVKNNRN-GMTAPVOTSA-N 2 2 259.313 -0.327 20 30 CBEDLP C#CCOCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000851750455 583525070 /nfs/dbraw/zinc/52/50/70/583525070.db2.gz FOHIZHIBFCJHTN-UHFFFAOYSA-N 2 2 279.384 -0.124 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)CC1 ZINC000852500790 583547939 /nfs/dbraw/zinc/54/79/39/583547939.db2.gz DXVYAGDAGQKIKJ-KBPBESRZSA-N 2 2 293.411 -0.288 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)CC1 ZINC000852500792 583548004 /nfs/dbraw/zinc/54/80/04/583548004.db2.gz DXVYAGDAGQKIKJ-ZIAGYGMSSA-N 2 2 293.411 -0.288 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)CC1 ZINC000852701120 583550742 /nfs/dbraw/zinc/55/07/42/583550742.db2.gz MMVBCOPJSQQRTF-GOEBONIOSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)CC1 ZINC000852701120 583550744 /nfs/dbraw/zinc/55/07/44/583550744.db2.gz MMVBCOPJSQQRTF-GOEBONIOSA-N 2 2 293.411 -0.286 20 30 CBEDLP O=C(C#CC1CC[NH2+]CC1)NCC[NH+]1CCOCC1 ZINC000852856212 583561585 /nfs/dbraw/zinc/56/15/85/583561585.db2.gz NKRRQPTYEFTXFT-UHFFFAOYSA-N 2 2 265.357 -0.562 20 30 CBEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCC(C)(C)O)cn2)CC1 ZINC000863137857 583832517 /nfs/dbraw/zinc/83/25/17/583832517.db2.gz OKORPHYDRHOXDE-UHFFFAOYSA-N 2 2 292.387 -0.077 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863831921 583858954 /nfs/dbraw/zinc/85/89/54/583858954.db2.gz QMHGMSGIBZLGTL-STQMWFEESA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863831921 583858956 /nfs/dbraw/zinc/85/89/56/583858956.db2.gz QMHGMSGIBZLGTL-STQMWFEESA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000863831921 583858957 /nfs/dbraw/zinc/85/89/57/583858957.db2.gz QMHGMSGIBZLGTL-STQMWFEESA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000863831921 583858959 /nfs/dbraw/zinc/85/89/59/583858959.db2.gz QMHGMSGIBZLGTL-STQMWFEESA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000874383348 584082552 /nfs/dbraw/zinc/08/25/52/584082552.db2.gz UGTKGYQLFOJADY-CYBMUJFWSA-N 2 2 294.399 -0.780 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000874383348 584082554 /nfs/dbraw/zinc/08/25/54/584082554.db2.gz UGTKGYQLFOJADY-CYBMUJFWSA-N 2 2 294.399 -0.780 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1CC[NH2+]CC1 ZINC000884015106 584355547 /nfs/dbraw/zinc/35/55/47/584355547.db2.gz ITDUJTXIRILUKR-NSHDSACASA-N 2 2 269.345 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000884017281 584355996 /nfs/dbraw/zinc/35/59/96/584355996.db2.gz RJJQHTFLABKQJP-MNOVXSKESA-N 2 2 269.345 -0.370 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000884030362 584356691 /nfs/dbraw/zinc/35/66/91/584356691.db2.gz MUQKYUTWDATQLT-DCAQKATOSA-N 2 2 269.345 -0.358 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[NH+](C)C ZINC000884176216 584364196 /nfs/dbraw/zinc/36/41/96/584364196.db2.gz ZPCPHBPLVZGTHP-JTQLQIEISA-N 2 2 257.334 -0.499 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC(C)(C)[NH+](C)C ZINC000884178185 584364463 /nfs/dbraw/zinc/36/44/63/584364463.db2.gz FPNUQWIZOQWGOC-JTQLQIEISA-N 2 2 271.361 -0.111 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884202223 584366201 /nfs/dbraw/zinc/36/62/01/584366201.db2.gz UDPCHNYHGHMLDY-JQWIXIFHSA-N 2 2 281.356 -0.214 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000884202223 584366202 /nfs/dbraw/zinc/36/62/02/584366202.db2.gz UDPCHNYHGHMLDY-JQWIXIFHSA-N 2 2 281.356 -0.214 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH+](C)CC1 ZINC000884241177 584369641 /nfs/dbraw/zinc/36/96/41/584369641.db2.gz SGOCNMCOYSCUAF-JTQLQIEISA-N 2 2 255.318 -0.793 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000884270873 584371206 /nfs/dbraw/zinc/37/12/06/584371206.db2.gz TUGWUPNOKLXIKV-VWYCJHECSA-N 2 2 269.345 -0.453 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1(C[NH3+])CCC1 ZINC000884300295 584372754 /nfs/dbraw/zinc/37/27/54/584372754.db2.gz UVTLJPUQDXMXSZ-JTQLQIEISA-N 2 2 269.345 -0.227 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1CC([NH3+])C1 ZINC000884298328 584372819 /nfs/dbraw/zinc/37/28/19/584372819.db2.gz OASOETWRZYGEBY-RTBKNWGFSA-N 2 2 255.318 -0.619 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000884303991 584373036 /nfs/dbraw/zinc/37/30/36/584373036.db2.gz CWQIVBWZIOJMAI-VHSXEESVSA-N 2 2 269.345 -0.310 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000884304490 584373042 /nfs/dbraw/zinc/37/30/42/584373042.db2.gz QQYTUMHEENCZSP-JTQLQIEISA-N 2 2 269.345 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000884338989 584375268 /nfs/dbraw/zinc/37/52/68/584375268.db2.gz YJOUSLGCGJDXPD-WDEREUQCSA-N 2 2 269.345 -0.371 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000884438094 584381770 /nfs/dbraw/zinc/38/17/70/584381770.db2.gz UKSXBVRZNSERNG-VWYCJHECSA-N 2 2 269.345 -0.310 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884458940 584383024 /nfs/dbraw/zinc/38/30/24/584383024.db2.gz QYOOWZRJKYTKLR-BBBLOLIVSA-N 2 2 255.318 -0.619 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000884471477 584383461 /nfs/dbraw/zinc/38/34/61/584383461.db2.gz XTXAIXWSURLJNQ-AVGNSLFASA-N 2 2 295.383 -0.014 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000884471477 584383462 /nfs/dbraw/zinc/38/34/62/584383462.db2.gz XTXAIXWSURLJNQ-AVGNSLFASA-N 2 2 295.383 -0.014 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCC[NH+](C)C)C1 ZINC000885509267 584416624 /nfs/dbraw/zinc/41/66/24/584416624.db2.gz RCPSWBQFTCOIRX-ZDUSSCGKSA-N 2 2 287.429 -0.045 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCC[NH+](C)C)C1 ZINC000885509267 584416625 /nfs/dbraw/zinc/41/66/25/584416625.db2.gz RCPSWBQFTCOIRX-ZDUSSCGKSA-N 2 2 287.429 -0.045 20 30 CBEDLP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000900566912 584812688 /nfs/dbraw/zinc/81/26/88/584812688.db2.gz YWYLHZSULDZOHW-UHFFFAOYSA-N 2 2 282.388 -0.486 20 30 CBEDLP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000900566912 584812690 /nfs/dbraw/zinc/81/26/90/584812690.db2.gz YWYLHZSULDZOHW-UHFFFAOYSA-N 2 2 282.388 -0.486 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900690335 584822026 /nfs/dbraw/zinc/82/20/26/584822026.db2.gz QJYDQHWLLIPSST-HNNXBMFYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900690335 584822028 /nfs/dbraw/zinc/82/20/28/584822028.db2.gz QJYDQHWLLIPSST-HNNXBMFYSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969440437 612996860 /nfs/dbraw/zinc/99/68/60/612996860.db2.gz GUCQVLCQHXZACT-GXTWGEPZSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969440437 612996861 /nfs/dbraw/zinc/99/68/61/612996861.db2.gz GUCQVLCQHXZACT-GXTWGEPZSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971271782 613091730 /nfs/dbraw/zinc/09/17/30/613091730.db2.gz QCYICMXICAZVLK-STQMWFEESA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000971271782 613091731 /nfs/dbraw/zinc/09/17/31/613091731.db2.gz QCYICMXICAZVLK-STQMWFEESA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000971271782 613091733 /nfs/dbraw/zinc/09/17/33/613091733.db2.gz QCYICMXICAZVLK-STQMWFEESA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000971271782 613091734 /nfs/dbraw/zinc/09/17/34/613091734.db2.gz QCYICMXICAZVLK-STQMWFEESA-N 2 2 265.357 -0.517 20 30 CBEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941664998 613115219 /nfs/dbraw/zinc/11/52/19/613115219.db2.gz MIAAOIYXXUZZQW-CQSZACIVSA-N 2 2 290.411 -0.600 20 30 CBEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941664998 613115220 /nfs/dbraw/zinc/11/52/20/613115220.db2.gz MIAAOIYXXUZZQW-CQSZACIVSA-N 2 2 290.411 -0.600 20 30 CBEDLP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000981686559 613141988 /nfs/dbraw/zinc/14/19/88/613141988.db2.gz SQRNLJYEYJZGNI-AWEZNQCLSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981686559 613141990 /nfs/dbraw/zinc/14/19/90/613141990.db2.gz SQRNLJYEYJZGNI-AWEZNQCLSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686559 613141991 /nfs/dbraw/zinc/14/19/91/613141991.db2.gz SQRNLJYEYJZGNI-AWEZNQCLSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686559 613141993 /nfs/dbraw/zinc/14/19/93/613141993.db2.gz SQRNLJYEYJZGNI-AWEZNQCLSA-N 2 2 291.395 -0.125 20 30 CBEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCN(C(C)=O)CC1 ZINC000261792048 656126455 /nfs/dbraw/zinc/12/64/55/656126455.db2.gz VDEKPHPJHVNBOV-UHFFFAOYSA-N 2 2 281.404 -0.178 20 30 CBEDLP C[NH+](C)C(C)(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303784666 656139392 /nfs/dbraw/zinc/13/93/92/656139392.db2.gz PODRJHUIMKKSSO-UHFFFAOYSA-N 3 2 285.436 -0.047 20 30 CBEDLP C#CC1(O)CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000708158270 656192143 /nfs/dbraw/zinc/19/21/43/656192143.db2.gz JKJOPYNERFCONO-CYBMUJFWSA-N 2 2 252.358 -0.097 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1C[NH+](C)CCN1C ZINC000896561304 656290337 /nfs/dbraw/zinc/29/03/37/656290337.db2.gz YIADDHWLEXCFDO-QLFBSQMISA-N 2 2 292.427 -0.166 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1C[NH+](C)CCN1C ZINC000896561304 656290340 /nfs/dbraw/zinc/29/03/40/656290340.db2.gz YIADDHWLEXCFDO-QLFBSQMISA-N 2 2 292.427 -0.166 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896561304 656290342 /nfs/dbraw/zinc/29/03/42/656290342.db2.gz YIADDHWLEXCFDO-QLFBSQMISA-N 2 2 292.427 -0.166 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896561304 656290344 /nfs/dbraw/zinc/29/03/44/656290344.db2.gz YIADDHWLEXCFDO-QLFBSQMISA-N 2 2 292.427 -0.166 20 30 CBEDLP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007005411 656985651 /nfs/dbraw/zinc/98/56/51/656985651.db2.gz XPGBVYBPCNFQLE-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007005411 656985654 /nfs/dbraw/zinc/98/56/54/656985654.db2.gz XPGBVYBPCNFQLE-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007005411 656985658 /nfs/dbraw/zinc/98/56/58/656985658.db2.gz XPGBVYBPCNFQLE-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007005411 656985661 /nfs/dbraw/zinc/98/56/61/656985661.db2.gz XPGBVYBPCNFQLE-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001007005414 656986027 /nfs/dbraw/zinc/98/60/27/656986027.db2.gz XPGBVYBPCNFQLE-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001007005414 656986037 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806230969 /nfs/dbraw/zinc/23/09/69/806230969.db2.gz HGFORXGURMSPJB-UONOGXRCSA-N 2 2 288.351 -0.264 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001083144444 806230978 /nfs/dbraw/zinc/23/09/78/806230978.db2.gz HGFORXGURMSPJB-UONOGXRCSA-N 2 2 288.351 -0.264 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192620 806236442 /nfs/dbraw/zinc/23/64/42/806236442.db2.gz JDGWLEGMYRECNS-QLFBSQMISA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192620 806236447 /nfs/dbraw/zinc/23/64/47/806236447.db2.gz JDGWLEGMYRECNS-QLFBSQMISA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192620 806236452 /nfs/dbraw/zinc/23/64/52/806236452.db2.gz JDGWLEGMYRECNS-QLFBSQMISA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192620 806236456 /nfs/dbraw/zinc/23/64/56/806236456.db2.gz JDGWLEGMYRECNS-QLFBSQMISA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083248052 806242330 /nfs/dbraw/zinc/24/23/30/806242330.db2.gz PQIKHECUDOCPBD-QLFBSQMISA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001083248052 806242339 /nfs/dbraw/zinc/24/23/39/806242339.db2.gz PQIKHECUDOCPBD-QLFBSQMISA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248052 806242347 /nfs/dbraw/zinc/24/23/47/806242347.db2.gz PQIKHECUDOCPBD-QLFBSQMISA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083248052 806242356 /nfs/dbraw/zinc/24/23/56/806242356.db2.gz PQIKHECUDOCPBD-QLFBSQMISA-N 2 2 291.395 -0.127 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083368090 806286143 /nfs/dbraw/zinc/28/61/43/806286143.db2.gz CLHIQIXKXUUBQA-UPJWGTAASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083368090 806286148 /nfs/dbraw/zinc/28/61/48/806286148.db2.gz CLHIQIXKXUUBQA-UPJWGTAASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083368090 806286154 /nfs/dbraw/zinc/28/61/54/806286154.db2.gz CLHIQIXKXUUBQA-UPJWGTAASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083368090 806286158 /nfs/dbraw/zinc/28/61/58/806286158.db2.gz CLHIQIXKXUUBQA-UPJWGTAASA-N 2 2 267.373 -0.182 20 30 CBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083373293 806288814 /nfs/dbraw/zinc/28/88/14/806288814.db2.gz YPJYDUFONFOSQB-UPJWGTAASA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083373293 806288817 /nfs/dbraw/zinc/28/88/17/806288817.db2.gz YPJYDUFONFOSQB-UPJWGTAASA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373293 806288819 /nfs/dbraw/zinc/28/88/19/806288819.db2.gz YPJYDUFONFOSQB-UPJWGTAASA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373293 806288823 /nfs/dbraw/zinc/28/88/23/806288823.db2.gz YPJYDUFONFOSQB-UPJWGTAASA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001083505631 806348327 /nfs/dbraw/zinc/34/83/27/806348327.db2.gz WHUODROEISMFKG-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001083505631 806348336 /nfs/dbraw/zinc/34/83/36/806348336.db2.gz WHUODROEISMFKG-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083505631 806348346 /nfs/dbraw/zinc/34/83/46/806348346.db2.gz WHUODROEISMFKG-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083505631 806348356 /nfs/dbraw/zinc/34/83/56/806348356.db2.gz WHUODROEISMFKG-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001083535615 806355958 /nfs/dbraw/zinc/35/59/58/806355958.db2.gz APQOQCZBIHAXNH-ILXRZTDVSA-N 2 2 291.395 -0.345 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001083535615 806355966 /nfs/dbraw/zinc/35/59/66/806355966.db2.gz APQOQCZBIHAXNH-ILXRZTDVSA-N 2 2 291.395 -0.345 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001083535615 806355975 /nfs/dbraw/zinc/35/59/75/806355975.db2.gz APQOQCZBIHAXNH-ILXRZTDVSA-N 2 2 291.395 -0.345 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)C[C@@H]1O ZINC001083535615 806355985 /nfs/dbraw/zinc/35/59/85/806355985.db2.gz APQOQCZBIHAXNH-ILXRZTDVSA-N 2 2 291.395 -0.345 20 30 CBEDLP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251180 806505910 /nfs/dbraw/zinc/50/59/10/806505910.db2.gz DSYUVRBCWBCZMO-KFWWJZLASA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251180 806505914 /nfs/dbraw/zinc/50/59/14/806505914.db2.gz DSYUVRBCWBCZMO-KFWWJZLASA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251180 806505922 /nfs/dbraw/zinc/50/59/22/806505922.db2.gz DSYUVRBCWBCZMO-KFWWJZLASA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251180 806505929 /nfs/dbraw/zinc/50/59/29/806505929.db2.gz DSYUVRBCWBCZMO-KFWWJZLASA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084446602 806520370 /nfs/dbraw/zinc/52/03/70/806520370.db2.gz FJDWGNIZUHCAGS-KBUPBQIOSA-N 2 2 291.395 -0.129 20 30 CBEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084446602 806520376 /nfs/dbraw/zinc/52/03/76/806520376.db2.gz FJDWGNIZUHCAGS-KBUPBQIOSA-N 2 2 291.395 -0.129 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084446602 806520382 /nfs/dbraw/zinc/52/03/82/806520382.db2.gz FJDWGNIZUHCAGS-KBUPBQIOSA-N 2 2 291.395 -0.129 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084446602 806520389 /nfs/dbraw/zinc/52/03/89/806520389.db2.gz FJDWGNIZUHCAGS-KBUPBQIOSA-N 2 2 291.395 -0.129 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCO ZINC001085646659 806590180 /nfs/dbraw/zinc/59/01/80/806590180.db2.gz LNQIMMVMQGWYCA-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCO ZINC001085646659 806590190 /nfs/dbraw/zinc/59/01/90/806590190.db2.gz LNQIMMVMQGWYCA-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCO ZINC001085646659 806590193 /nfs/dbraw/zinc/59/01/93/806590193.db2.gz LNQIMMVMQGWYCA-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCO ZINC001085646659 806590202 /nfs/dbraw/zinc/59/02/02/806590202.db2.gz LNQIMMVMQGWYCA-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001023112703 798884175 /nfs/dbraw/zinc/88/41/75/798884175.db2.gz PXQDRFVISZCXFL-QLFBSQMISA-N 2 2 291.395 -0.033 20 30 CBEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024375730 798934797 /nfs/dbraw/zinc/93/47/97/798934797.db2.gz WGDMIPSIPPXZKT-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024375730 798934803 /nfs/dbraw/zinc/93/48/03/798934803.db2.gz WGDMIPSIPPXZKT-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375730 798934807 /nfs/dbraw/zinc/93/48/07/798934807.db2.gz WGDMIPSIPPXZKT-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375730 798934815 /nfs/dbraw/zinc/93/48/15/798934815.db2.gz WGDMIPSIPPXZKT-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001028329188 799123017 /nfs/dbraw/zinc/12/30/17/799123017.db2.gz HXTPRLQEWRDBEI-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001028329188 799123019 /nfs/dbraw/zinc/12/30/19/799123019.db2.gz HXTPRLQEWRDBEI-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329188 799123021 /nfs/dbraw/zinc/12/30/21/799123021.db2.gz HXTPRLQEWRDBEI-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033180686 799724517 /nfs/dbraw/zinc/72/45/17/799724517.db2.gz AXFVFKPDMJKIIC-HZSPNIEDSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033180686 799724523 /nfs/dbraw/zinc/72/45/23/799724523.db2.gz AXFVFKPDMJKIIC-HZSPNIEDSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033180686 799724529 /nfs/dbraw/zinc/72/45/29/799724529.db2.gz AXFVFKPDMJKIIC-HZSPNIEDSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033180686 799724534 /nfs/dbraw/zinc/72/45/34/799724534.db2.gz AXFVFKPDMJKIIC-HZSPNIEDSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001035313488 799888361 /nfs/dbraw/zinc/88/83/61/799888361.db2.gz PKUXQOROTQRPIJ-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001035313488 799888368 /nfs/dbraw/zinc/88/83/68/799888368.db2.gz PKUXQOROTQRPIJ-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035313488 799888374 /nfs/dbraw/zinc/88/83/74/799888374.db2.gz PKUXQOROTQRPIJ-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035313488 799888382 /nfs/dbraw/zinc/88/83/82/799888382.db2.gz PKUXQOROTQRPIJ-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001035313489 799889909 /nfs/dbraw/zinc/88/99/09/799889909.db2.gz PKUXQOROTQRPIJ-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001035313489 799889911 /nfs/dbraw/zinc/88/99/11/799889911.db2.gz PKUXQOROTQRPIJ-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035313489 799889918 /nfs/dbraw/zinc/88/99/18/799889918.db2.gz PKUXQOROTQRPIJ-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035313489 799889926 /nfs/dbraw/zinc/88/99/26/799889926.db2.gz PKUXQOROTQRPIJ-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001035325867 799891547 /nfs/dbraw/zinc/89/15/47/799891547.db2.gz DLJAWXASIAQJTE-UONOGXRCSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001035325867 799891554 /nfs/dbraw/zinc/89/15/54/799891554.db2.gz DLJAWXASIAQJTE-UONOGXRCSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035325867 799891562 /nfs/dbraw/zinc/89/15/62/799891562.db2.gz DLJAWXASIAQJTE-UONOGXRCSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035325867 799891572 /nfs/dbraw/zinc/89/15/72/799891572.db2.gz DLJAWXASIAQJTE-UONOGXRCSA-N 2 2 297.399 -0.290 20 30 CBEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038265974 800091763 /nfs/dbraw/zinc/09/17/63/800091763.db2.gz KGQDSJZXACEHFX-ZDUSSCGKSA-N 2 2 289.383 -0.118 20 30 CBEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038265974 800091772 /nfs/dbraw/zinc/09/17/72/800091772.db2.gz KGQDSJZXACEHFX-ZDUSSCGKSA-N 2 2 289.383 -0.118 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001038625989 801226873 /nfs/dbraw/zinc/22/68/73/801226873.db2.gz YGAHJRJVPJQYSH-UONOGXRCSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001038625989 801226879 /nfs/dbraw/zinc/22/68/79/801226879.db2.gz YGAHJRJVPJQYSH-UONOGXRCSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038625989 801226883 /nfs/dbraw/zinc/22/68/83/801226883.db2.gz YGAHJRJVPJQYSH-UONOGXRCSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038625989 801226888 /nfs/dbraw/zinc/22/68/88/801226888.db2.gz YGAHJRJVPJQYSH-UONOGXRCSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001039047791 801284491 /nfs/dbraw/zinc/28/44/91/801284491.db2.gz QSIABJVXVCBKTL-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001039047791 801284493 /nfs/dbraw/zinc/28/44/93/801284493.db2.gz QSIABJVXVCBKTL-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039047791 801284494 /nfs/dbraw/zinc/28/44/94/801284494.db2.gz QSIABJVXVCBKTL-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039047791 801284496 /nfs/dbraw/zinc/28/44/96/801284496.db2.gz QSIABJVXVCBKTL-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218510 801740985 /nfs/dbraw/zinc/74/09/85/801740985.db2.gz JZLMHBMUEILPQN-DZGCQCFKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046218510 801740979 /nfs/dbraw/zinc/74/09/79/801740979.db2.gz JZLMHBMUEILPQN-DZGCQCFKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046218510 801740980 /nfs/dbraw/zinc/74/09/80/801740980.db2.gz JZLMHBMUEILPQN-DZGCQCFKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218510 801740989 /nfs/dbraw/zinc/74/09/89/801740989.db2.gz JZLMHBMUEILPQN-DZGCQCFKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046848679 801798471 /nfs/dbraw/zinc/79/84/71/801798471.db2.gz AWLWGAYGZLKQJF-DZGCQCFKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046848679 801798473 /nfs/dbraw/zinc/79/84/73/801798473.db2.gz AWLWGAYGZLKQJF-DZGCQCFKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046848679 801798476 /nfs/dbraw/zinc/79/84/76/801798476.db2.gz AWLWGAYGZLKQJF-DZGCQCFKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046848679 801798479 /nfs/dbraw/zinc/79/84/79/801798479.db2.gz AWLWGAYGZLKQJF-DZGCQCFKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCC)C[C@@H]1O ZINC001047415055 801866365 /nfs/dbraw/zinc/86/63/65/801866365.db2.gz DUNDLUCWYPXGJF-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCC)C[C@@H]1O ZINC001047415055 801866358 /nfs/dbraw/zinc/86/63/58/801866358.db2.gz DUNDLUCWYPXGJF-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCC)C[C@@H]1O ZINC001047415055 801866369 /nfs/dbraw/zinc/86/63/69/801866369.db2.gz DUNDLUCWYPXGJF-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCC)C[C@@H]1O ZINC001047415055 801866373 /nfs/dbraw/zinc/86/63/73/801866373.db2.gz DUNDLUCWYPXGJF-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458934 801877125 /nfs/dbraw/zinc/87/71/25/801877125.db2.gz ICJFUAXCFXZDNS-STQMWFEESA-N 2 2 276.340 -0.672 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001047458934 801877129 /nfs/dbraw/zinc/87/71/29/801877129.db2.gz ICJFUAXCFXZDNS-STQMWFEESA-N 2 2 276.340 -0.672 20 30 CBEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001047529066 801893802 /nfs/dbraw/zinc/89/38/02/801893802.db2.gz OYSYKLPTTCCBSG-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001047529066 801893811 /nfs/dbraw/zinc/89/38/11/801893811.db2.gz OYSYKLPTTCCBSG-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001047529066 801893829 /nfs/dbraw/zinc/89/38/29/801893829.db2.gz OYSYKLPTTCCBSG-KKUMJFAQSA-N 2 2 293.411 -0.003 20 30 CBEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047544069 801898251 /nfs/dbraw/zinc/89/82/51/801898251.db2.gz LRVKVLHBUUVMEG-RYUDHWBXSA-N 2 2 264.329 -0.358 20 30 CBEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047544069 801898259 /nfs/dbraw/zinc/89/82/59/801898259.db2.gz LRVKVLHBUUVMEG-RYUDHWBXSA-N 2 2 264.329 -0.358 20 30 CBEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624893 801910532 /nfs/dbraw/zinc/91/05/32/801910532.db2.gz SLYSULIIECJTEE-KBPBESRZSA-N 2 2 290.367 -0.282 20 30 CBEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047624893 801910539 /nfs/dbraw/zinc/91/05/39/801910539.db2.gz SLYSULIIECJTEE-KBPBESRZSA-N 2 2 290.367 -0.282 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047629340 801912929 /nfs/dbraw/zinc/91/29/29/801912929.db2.gz YVECVFQEIHSZDM-STQMWFEESA-N 2 2 276.340 -0.672 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001047629340 801912933 /nfs/dbraw/zinc/91/29/33/801912933.db2.gz YVECVFQEIHSZDM-STQMWFEESA-N 2 2 276.340 -0.672 20 30 CBEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001054008342 802324230 /nfs/dbraw/zinc/32/42/30/802324230.db2.gz WSVINCVZEOANQE-KGLIPLIRSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001054008342 802324237 /nfs/dbraw/zinc/32/42/37/802324237.db2.gz WSVINCVZEOANQE-KGLIPLIRSA-N 2 2 291.395 -0.079 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001121932621 813091464 /nfs/dbraw/zinc/09/14/64/813091464.db2.gz YIAFZNGBPRUWGR-FOGDFJRCSA-N 2 2 259.313 -0.327 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001322093725 803858549 /nfs/dbraw/zinc/85/85/49/803858549.db2.gz LEYSMXWJDGCYAZ-RYUDHWBXSA-N 2 2 293.371 -0.332 20 30 CBEDLP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001325198621 804256998 /nfs/dbraw/zinc/25/69/98/804256998.db2.gz QACQIDMTYVMYRO-CYBMUJFWSA-N 2 2 297.399 -0.554 20 30 CBEDLP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001325198621 804257006 /nfs/dbraw/zinc/25/70/06/804257006.db2.gz QACQIDMTYVMYRO-CYBMUJFWSA-N 2 2 297.399 -0.554 20 30 CBEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001325298464 804272024 /nfs/dbraw/zinc/27/20/24/804272024.db2.gz PCTIVFUFBHHZKM-UHFFFAOYSA-N 2 2 279.384 -0.179 20 30 CBEDLP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(C#N)CC2)CC1 ZINC001325880749 804330793 /nfs/dbraw/zinc/33/07/93/804330793.db2.gz UFQNFKUPEYOCMP-GFCCVEGCSA-N 2 2 252.362 -0.512 20 30 CBEDLP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073562552 805388023 /nfs/dbraw/zinc/38/80/23/805388023.db2.gz XQKWLOGAOHAFAZ-KGLIPLIRSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073562552 805388032 /nfs/dbraw/zinc/38/80/32/805388032.db2.gz XQKWLOGAOHAFAZ-KGLIPLIRSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073562552 805388043 /nfs/dbraw/zinc/38/80/43/805388043.db2.gz XQKWLOGAOHAFAZ-KGLIPLIRSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073562552 805388054 /nfs/dbraw/zinc/38/80/54/805388054.db2.gz XQKWLOGAOHAFAZ-KGLIPLIRSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075644942 805519285 /nfs/dbraw/zinc/51/92/85/805519285.db2.gz IMMZUBIAPJOZMR-MJBXVCDLSA-N 2 2 277.368 -0.517 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075644942 805519290 /nfs/dbraw/zinc/51/92/90/805519290.db2.gz IMMZUBIAPJOZMR-MJBXVCDLSA-N 2 2 277.368 -0.517 20 30 CBEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644942 805519295 /nfs/dbraw/zinc/51/92/95/805519295.db2.gz IMMZUBIAPJOZMR-MJBXVCDLSA-N 2 2 277.368 -0.517 20 30 CBEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644942 805519299 /nfs/dbraw/zinc/51/92/99/805519299.db2.gz IMMZUBIAPJOZMR-MJBXVCDLSA-N 2 2 277.368 -0.517 20 30 CBEDLP C#CCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151815429 815095480 /nfs/dbraw/zinc/09/54/80/815095480.db2.gz VNCAGMVKKAKGMD-AWEZNQCLSA-N 2 2 279.384 -0.174 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC(N)=O ZINC001153891098 815187903 /nfs/dbraw/zinc/18/79/03/815187903.db2.gz KYRPNVMAZGBTGH-OLZOCXBDSA-N 2 2 294.399 -0.604 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC(N)=O ZINC001153891098 815187907 /nfs/dbraw/zinc/18/79/07/815187907.db2.gz KYRPNVMAZGBTGH-OLZOCXBDSA-N 2 2 294.399 -0.604 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC(N)=O ZINC001153891098 815187910 /nfs/dbraw/zinc/18/79/10/815187910.db2.gz KYRPNVMAZGBTGH-OLZOCXBDSA-N 2 2 294.399 -0.604 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC(N)=O ZINC001153891098 815187915 /nfs/dbraw/zinc/18/79/15/815187915.db2.gz KYRPNVMAZGBTGH-OLZOCXBDSA-N 2 2 294.399 -0.604 20 30 CBEDLP N#C[C@H]1C[NH2+]CCN1c1ncnc2c1CC[NH2+]CC2 ZINC001156320929 815354048 /nfs/dbraw/zinc/35/40/48/815354048.db2.gz IREDYEJLGBGYDS-JTQLQIEISA-N 2 2 258.329 -0.533 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089053055 810375877 /nfs/dbraw/zinc/37/58/77/810375877.db2.gz IXVLXKXATCTBDS-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089053055 810375884 /nfs/dbraw/zinc/37/58/84/810375884.db2.gz IXVLXKXATCTBDS-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053055 810375890 /nfs/dbraw/zinc/37/58/90/810375890.db2.gz IXVLXKXATCTBDS-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053055 810375897 /nfs/dbraw/zinc/37/58/97/810375897.db2.gz IXVLXKXATCTBDS-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090674790 810547244 /nfs/dbraw/zinc/54/72/44/810547244.db2.gz ZZHHTRJREPVUKN-CABCVRRESA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090674790 810547255 /nfs/dbraw/zinc/54/72/55/810547255.db2.gz ZZHHTRJREPVUKN-CABCVRRESA-N 2 2 293.411 -0.097 20 30 CBEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728867 810560060 /nfs/dbraw/zinc/56/00/60/810560060.db2.gz XVASGKAXJJIRDL-STQMWFEESA-N 2 2 278.356 -0.300 20 30 CBEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728867 810560072 /nfs/dbraw/zinc/56/00/72/810560072.db2.gz XVASGKAXJJIRDL-STQMWFEESA-N 2 2 278.356 -0.300 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090817182 810572957 /nfs/dbraw/zinc/57/29/57/810572957.db2.gz REYHFVUPODLMOD-QWHCGFSZSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090817182 810572960 /nfs/dbraw/zinc/57/29/60/810572960.db2.gz REYHFVUPODLMOD-QWHCGFSZSA-N 2 2 265.357 -0.733 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090848391 810575634 /nfs/dbraw/zinc/57/56/34/810575634.db2.gz FYTCUVLABLMWNT-OLZOCXBDSA-N 2 2 276.340 -0.542 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090848391 810575640 /nfs/dbraw/zinc/57/56/40/810575640.db2.gz FYTCUVLABLMWNT-OLZOCXBDSA-N 2 2 276.340 -0.542 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565405 810611964 /nfs/dbraw/zinc/61/19/64/810611964.db2.gz OEUVQAFTUPCNLD-YCPHGPKFSA-N 2 2 291.395 -0.270 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091565405 810611969 /nfs/dbraw/zinc/61/19/69/810611969.db2.gz OEUVQAFTUPCNLD-YCPHGPKFSA-N 2 2 291.395 -0.270 20 30 CBEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565405 810611977 /nfs/dbraw/zinc/61/19/77/810611977.db2.gz OEUVQAFTUPCNLD-YCPHGPKFSA-N 2 2 291.395 -0.270 20 30 CBEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091565405 810611984 /nfs/dbraw/zinc/61/19/84/810611984.db2.gz OEUVQAFTUPCNLD-YCPHGPKFSA-N 2 2 291.395 -0.270 20 30 CBEDLP N#Cc1ccc2c(c1)CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001157937270 815488639 /nfs/dbraw/zinc/48/86/39/815488639.db2.gz SECCDFVLOOETGP-KBPBESRZSA-N 2 2 270.336 -0.010 20 30 CBEDLP N#Cc1ccc([N+](=O)[O-])c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204223 815512722 /nfs/dbraw/zinc/51/27/22/815512722.db2.gz NYOGEMQVBPGMIF-MRVPVSSYSA-N 2 2 288.267 -0.091 20 30 CBEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118545246 812571886 /nfs/dbraw/zinc/57/18/86/812571886.db2.gz MLNUTKIOPTXAIC-CHWSQXEVSA-N 2 2 280.372 -0.059 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001122120737 813120156 /nfs/dbraw/zinc/12/01/56/813120156.db2.gz LXQGANNYXDYKTA-LBPRGKRZSA-N 2 2 290.367 -0.620 20 30 CBEDLP C#CC[NH2+]CC(=O)NCCCCC[NH+]1CCNCC1 ZINC001122194281 813131993 /nfs/dbraw/zinc/13/19/93/813131993.db2.gz BFWNCHNUAIYHSW-UHFFFAOYSA-N 2 2 266.389 -0.599 20 30 CBEDLP N#CCNC(=O)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159527132 815579356 /nfs/dbraw/zinc/57/93/56/815579356.db2.gz JMGULJVMZNFZSV-UHFFFAOYSA-N 2 2 292.343 -0.922 20 30 CBEDLP N#CCNC(=O)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159527132 815579359 /nfs/dbraw/zinc/57/93/59/815579359.db2.gz JMGULJVMZNFZSV-UHFFFAOYSA-N 2 2 292.343 -0.922 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128991952 813812745 /nfs/dbraw/zinc/81/27/45/813812745.db2.gz JHNYOOJUJMYUHQ-NSHDSACASA-N 2 2 293.371 -0.261 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128991952 813812752 /nfs/dbraw/zinc/81/27/52/813812752.db2.gz JHNYOOJUJMYUHQ-NSHDSACASA-N 2 2 293.371 -0.261 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128986301 813813433 /nfs/dbraw/zinc/81/34/33/813813433.db2.gz PTGXCGJPZSOKFG-UHFFFAOYSA-N 2 2 279.344 -0.650 20 30 CBEDLP C=CC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131610620 814045817 /nfs/dbraw/zinc/04/58/17/814045817.db2.gz AAZJELJGESYQJC-KGLIPLIRSA-N 2 2 297.399 -0.242 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131642116 814050095 /nfs/dbraw/zinc/05/00/95/814050095.db2.gz YQBISTPZOZZBSS-UHFFFAOYSA-N 2 2 278.356 -0.292 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132085136 814101667 /nfs/dbraw/zinc/10/16/67/814101667.db2.gz OEWSTYDDXUHUNJ-GFCCVEGCSA-N 2 2 293.371 -0.330 20 30 CBEDLP C#CC[NH+]1CCCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC001147291278 814887555 /nfs/dbraw/zinc/88/75/55/814887555.db2.gz PDAZPIAEVRYIQP-UHFFFAOYSA-N 2 2 292.427 -0.353 20 30 CBEDLP C#CC[NH+]1CCCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC001147291278 814887559 /nfs/dbraw/zinc/88/75/59/814887559.db2.gz PDAZPIAEVRYIQP-UHFFFAOYSA-N 2 2 292.427 -0.353 20 30 CBEDLP C#CC[N@H+]1CCCN(C(=O)C2CN(C)CC[NH+](C)C2)CC1 ZINC001147291278 814887562 /nfs/dbraw/zinc/88/75/62/814887562.db2.gz PDAZPIAEVRYIQP-UHFFFAOYSA-N 2 2 292.427 -0.353 20 30 CBEDLP C#CC[N@@H+]1CCCN(C(=O)C2CN(C)CC[NH+](C)C2)CC1 ZINC001147291278 814887566 /nfs/dbraw/zinc/88/75/66/814887566.db2.gz PDAZPIAEVRYIQP-UHFFFAOYSA-N 2 2 292.427 -0.353 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160437407 815621792 /nfs/dbraw/zinc/62/17/92/815621792.db2.gz VHNINBZUXLSVHB-CQSZACIVSA-N 3 2 295.431 -0.933 20 30 CBEDLP Cc1ncc(C#N)c(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160512079 815632305 /nfs/dbraw/zinc/63/23/05/815632305.db2.gz RRXYZTFAKRDKQT-AWEZNQCLSA-N 2 2 272.356 -0.086 20 30 CBEDLP N#CCCN(CCC#N)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160749964 815667317 /nfs/dbraw/zinc/66/73/17/815667317.db2.gz CRSGRBPADBUDEU-SDDRHHMPSA-N 2 2 261.329 -0.408 20 30 CBEDLP C[NH+](C)CC#CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC001311874381 816846759 /nfs/dbraw/zinc/84/67/59/816846759.db2.gz RYOCOBJBHCLTGU-UHFFFAOYSA-N 2 2 296.415 -0.039 20 30 CBEDLP C[NH+](C)CC#CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC001311874381 816846762 /nfs/dbraw/zinc/84/67/62/816846762.db2.gz RYOCOBJBHCLTGU-UHFFFAOYSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[NH+]1CCN(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001316964939 816908539 /nfs/dbraw/zinc/90/85/39/816908539.db2.gz KTXZJOUWBRQRLC-UHFFFAOYSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CC[NH+]1CCN(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001316964939 816908544 /nfs/dbraw/zinc/90/85/44/816908544.db2.gz KTXZJOUWBRQRLC-UHFFFAOYSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CC[NH+](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001317472353 816989821 /nfs/dbraw/zinc/98/98/21/816989821.db2.gz YEYPRYWMWAFLLH-GFCCVEGCSA-N 2 2 253.346 -0.612 20 30 CBEDLP C#CC[NH+](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001317472353 816989827 /nfs/dbraw/zinc/98/98/27/816989827.db2.gz YEYPRYWMWAFLLH-GFCCVEGCSA-N 2 2 253.346 -0.612 20 30 CBEDLP C#CC[N@@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001317472353 816989830 /nfs/dbraw/zinc/98/98/30/816989830.db2.gz YEYPRYWMWAFLLH-GFCCVEGCSA-N 2 2 253.346 -0.612 20 30 CBEDLP C#CC[N@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001317472353 816989834 /nfs/dbraw/zinc/98/98/34/816989834.db2.gz YEYPRYWMWAFLLH-GFCCVEGCSA-N 2 2 253.346 -0.612 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001318073275 817071108 /nfs/dbraw/zinc/07/11/08/817071108.db2.gz CIRNYRJSISVCTD-UHFFFAOYSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320233934 817300546 /nfs/dbraw/zinc/30/05/46/817300546.db2.gz JFSQMTSIKGPAMO-IJLUTSLNSA-N 2 2 276.340 -0.397 20 30 CBEDLP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320233934 817300553 /nfs/dbraw/zinc/30/05/53/817300553.db2.gz JFSQMTSIKGPAMO-IJLUTSLNSA-N 2 2 276.340 -0.397 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169199208 820213059 /nfs/dbraw/zinc/21/30/59/820213059.db2.gz GZJMNBXKFOVIPJ-UHFFFAOYSA-N 2 2 279.344 -0.650 20 30 CBEDLP COCC#CC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204858 820213997 /nfs/dbraw/zinc/21/39/97/820213997.db2.gz SXGWXONPQIRKIQ-UHFFFAOYSA-N 2 2 264.329 -0.302 20 30 CBEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576266 821189504 /nfs/dbraw/zinc/18/95/04/821189504.db2.gz OTWUWTAORBXORH-GFCCVEGCSA-N 2 2 276.340 -0.208 20 30 CBEDLP C#CC[NH+]1CC(N2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001281586440 828419748 /nfs/dbraw/zinc/41/97/48/828419748.db2.gz KYTXNRKTQANPLV-UHFFFAOYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CC(N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001281586440 828419754 /nfs/dbraw/zinc/41/97/54/828419754.db2.gz KYTXNRKTQANPLV-UHFFFAOYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C=CC[NH2+][C@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001283766065 828545040 /nfs/dbraw/zinc/54/50/40/828545040.db2.gz YPYYQGBKZFRSDV-NSHDSACASA-N 2 2 252.318 -0.405 20 30 CBEDLP C=CC[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001283766065 828545042 /nfs/dbraw/zinc/54/50/42/828545042.db2.gz YPYYQGBKZFRSDV-NSHDSACASA-N 2 2 252.318 -0.405 20 30 CBEDLP C=CCC[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001283825119 828553417 /nfs/dbraw/zinc/55/34/17/828553417.db2.gz NPYJBJRMHOZFFW-NSHDSACASA-N 2 2 266.345 -0.097 20 30 CBEDLP C=CCC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001283830539 828554893 /nfs/dbraw/zinc/55/48/93/828554893.db2.gz DRJLKPIOPUBDKY-LLVKDONJSA-N 2 2 252.318 -0.474 20 30 CBEDLP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001192014905 823939403 /nfs/dbraw/zinc/93/94/03/823939403.db2.gz WUVHTWIOGRQGAN-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001192014905 823939409 /nfs/dbraw/zinc/93/94/09/823939409.db2.gz WUVHTWIOGRQGAN-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192014905 823939419 /nfs/dbraw/zinc/93/94/19/823939419.db2.gz WUVHTWIOGRQGAN-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001192014905 823939430 /nfs/dbraw/zinc/93/94/30/823939430.db2.gz WUVHTWIOGRQGAN-MGPQQGTHSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001284475769 828599401 /nfs/dbraw/zinc/59/94/01/828599401.db2.gz CSIRLYCZHQKNLL-LBPRGKRZSA-N 2 2 266.345 -0.132 20 30 CBEDLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O)[NH+](C)C ZINC001196267984 824156261 /nfs/dbraw/zinc/15/62/61/824156261.db2.gz MXQOGFJEVJAXSG-HZSPNIEDSA-N 2 2 297.399 -0.862 20 30 CBEDLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O)[NH+](C)C ZINC001196267984 824156265 /nfs/dbraw/zinc/15/62/65/824156265.db2.gz MXQOGFJEVJAXSG-HZSPNIEDSA-N 2 2 297.399 -0.862 20 30 CBEDLP C#Cc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)ccn1 ZINC001218520100 824581106 /nfs/dbraw/zinc/58/11/06/824581106.db2.gz KPXXLAONEUUELV-ZDUSSCGKSA-N 2 2 269.308 -0.273 20 30 CBEDLP COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001219134001 824665849 /nfs/dbraw/zinc/66/58/49/824665849.db2.gz ZJIBJCNUFHDNMS-NSHDSACASA-N 2 2 276.296 -0.041 20 30 CBEDLP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001219411764 824704520 /nfs/dbraw/zinc/70/45/20/824704520.db2.gz WUVHTWIOGRQGAN-HZSPNIEDSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001219411764 824704524 /nfs/dbraw/zinc/70/45/24/824704524.db2.gz WUVHTWIOGRQGAN-HZSPNIEDSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411764 824704527 /nfs/dbraw/zinc/70/45/27/824704527.db2.gz WUVHTWIOGRQGAN-HZSPNIEDSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001219411764 824704529 /nfs/dbraw/zinc/70/45/29/824704529.db2.gz WUVHTWIOGRQGAN-HZSPNIEDSA-N 2 2 297.399 -0.556 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219732599 824886188 /nfs/dbraw/zinc/88/61/88/824886188.db2.gz ZQXPQVRIFDBMBC-UPJWGTAASA-N 2 2 285.363 -0.539 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219732599 824886191 /nfs/dbraw/zinc/88/61/91/824886191.db2.gz ZQXPQVRIFDBMBC-UPJWGTAASA-N 2 2 285.363 -0.539 20 30 CBEDLP C=C(C)C(=O)NCCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220043048 824942522 /nfs/dbraw/zinc/94/25/22/824942522.db2.gz CPRCYRYJSZAVEP-LBPRGKRZSA-N 2 2 293.371 -0.512 20 30 CBEDLP C=C(C)C(=O)OCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220124991 824961809 /nfs/dbraw/zinc/96/18/09/824961809.db2.gz SRNPTRLLVHFISN-NSHDSACASA-N 2 2 280.328 -0.475 20 30 CBEDLP O=C(/C=C/NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)C(F)(F)F ZINC001220343607 825019782 /nfs/dbraw/zinc/01/97/82/825019782.db2.gz UVZSRDHYGZMLEU-ZVAGAUQRSA-N 2 2 277.246 -0.301 20 30 CBEDLP CC(C)(S)CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220487529 825048273 /nfs/dbraw/zinc/04/82/73/825048273.db2.gz UZPWIQRBTPOAFQ-JTQLQIEISA-N 2 2 274.434 -0.439 20 30 CBEDLP C=C[C@@H]1C[C@]1(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001220571680 825066313 /nfs/dbraw/zinc/06/63/13/825066313.db2.gz XCUFXVPBNHDCGH-OLUVUFQESA-N 2 2 292.339 -0.097 20 30 CBEDLP C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)OCC ZINC001220571298 825066432 /nfs/dbraw/zinc/06/64/32/825066432.db2.gz OCQXSPPQDQLFKD-ORXSELOVSA-N 2 2 267.329 -0.700 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985676 825131706 /nfs/dbraw/zinc/13/17/06/825131706.db2.gz BBJWWTVEKVBZNU-MCIONIFRSA-N 2 2 297.399 -0.698 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985676 825131715 /nfs/dbraw/zinc/13/17/15/825131715.db2.gz BBJWWTVEKVBZNU-MCIONIFRSA-N 2 2 297.399 -0.698 20 30 CBEDLP N#Cc1ccc(C(=[NH2+])NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC001251035755 825768193 /nfs/dbraw/zinc/76/81/93/825768193.db2.gz MQTUARASOOJAIE-AWEZNQCLSA-N 2 2 288.351 -0.043 20 30 CBEDLP C#CCOC[C@@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001251906594 825807163 /nfs/dbraw/zinc/80/71/63/825807163.db2.gz HUGLYZIFAONXNC-LBPRGKRZSA-N 2 2 256.346 -0.957 20 30 CBEDLP C=CCOC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252491112 825872577 /nfs/dbraw/zinc/87/25/77/825872577.db2.gz FUNRUZKOIMZGKM-ZDUSSCGKSA-N 2 2 296.371 -0.388 20 30 CBEDLP C=CCOC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252491112 825872591 /nfs/dbraw/zinc/87/25/91/825872591.db2.gz FUNRUZKOIMZGKM-ZDUSSCGKSA-N 2 2 296.371 -0.388 20 30 CBEDLP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001263305692 826762558 /nfs/dbraw/zinc/76/25/58/826762558.db2.gz DPAFFCGYZZRQTG-ZFWWWQNUSA-N 2 2 292.427 -0.260 20 30 CBEDLP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001263305692 826762562 /nfs/dbraw/zinc/76/25/62/826762562.db2.gz DPAFFCGYZZRQTG-ZFWWWQNUSA-N 2 2 292.427 -0.260 20 30 CBEDLP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001263305690 826762702 /nfs/dbraw/zinc/76/27/02/826762702.db2.gz DPAFFCGYZZRQTG-HIFRSBDPSA-N 2 2 292.427 -0.260 20 30 CBEDLP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1CN(C)CC[N@H+]1C ZINC001263305690 826762703 /nfs/dbraw/zinc/76/27/03/826762703.db2.gz DPAFFCGYZZRQTG-HIFRSBDPSA-N 2 2 292.427 -0.260 20 30 CBEDLP CC#CC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001266360311 826990855 /nfs/dbraw/zinc/99/08/55/826990855.db2.gz WDXVETGRWCCQRD-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP CC#CC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001266360311 826990862 /nfs/dbraw/zinc/99/08/62/826990862.db2.gz WDXVETGRWCCQRD-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP CC#CC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266360311 826990869 /nfs/dbraw/zinc/99/08/69/826990869.db2.gz WDXVETGRWCCQRD-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP CC#CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001266360311 826990874 /nfs/dbraw/zinc/99/08/74/826990874.db2.gz WDXVETGRWCCQRD-ZDUSSCGKSA-N 2 2 267.373 -0.222 20 30 CBEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001266362878 826991400 /nfs/dbraw/zinc/99/14/00/826991400.db2.gz YOPSUZUXEQHDIQ-UHFFFAOYSA-N 2 2 282.388 -0.876 20 30 CBEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001266362878 826991410 /nfs/dbraw/zinc/99/14/10/826991410.db2.gz YOPSUZUXEQHDIQ-UHFFFAOYSA-N 2 2 282.388 -0.876 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001266362878 826991418 /nfs/dbraw/zinc/99/14/18/826991418.db2.gz YOPSUZUXEQHDIQ-UHFFFAOYSA-N 2 2 282.388 -0.876 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001266362878 826991424 /nfs/dbraw/zinc/99/14/24/826991424.db2.gz YOPSUZUXEQHDIQ-UHFFFAOYSA-N 2 2 282.388 -0.876 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001266846926 827075400 /nfs/dbraw/zinc/07/54/00/827075400.db2.gz MTRZJSGTBATNLI-UHFFFAOYSA-N 2 2 279.344 -0.698 20 30 CBEDLP COCC#CC[N@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001267208945 827128011 /nfs/dbraw/zinc/12/80/11/827128011.db2.gz BXIUREGNHJWNOR-UHFFFAOYSA-N 2 2 278.356 -0.029 20 30 CBEDLP COCC#CC[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001267208945 827128018 /nfs/dbraw/zinc/12/80/18/827128018.db2.gz BXIUREGNHJWNOR-UHFFFAOYSA-N 2 2 278.356 -0.029 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267230662 827134255 /nfs/dbraw/zinc/13/42/55/827134255.db2.gz XVWFKGZXOZHAPI-LBPRGKRZSA-N 2 2 282.388 -0.712 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267230662 827134258 /nfs/dbraw/zinc/13/42/58/827134258.db2.gz XVWFKGZXOZHAPI-LBPRGKRZSA-N 2 2 282.388 -0.712 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267230662 827134261 /nfs/dbraw/zinc/13/42/61/827134261.db2.gz XVWFKGZXOZHAPI-LBPRGKRZSA-N 2 2 282.388 -0.712 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267230662 827134264 /nfs/dbraw/zinc/13/42/64/827134264.db2.gz XVWFKGZXOZHAPI-LBPRGKRZSA-N 2 2 282.388 -0.712 20 30 CBEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267576122 827181501 /nfs/dbraw/zinc/18/15/01/827181501.db2.gz RJXAKBKIWZOSNK-AWEZNQCLSA-N 2 2 293.415 -0.462 20 30 CBEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267576122 827181504 /nfs/dbraw/zinc/18/15/04/827181504.db2.gz RJXAKBKIWZOSNK-AWEZNQCLSA-N 2 2 293.415 -0.462 20 30 CBEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)CC[NH+](C)C ZINC001267574954 827182208 /nfs/dbraw/zinc/18/22/08/827182208.db2.gz YIFWYDXGOFITGL-UHFFFAOYSA-N 2 2 281.404 -0.462 20 30 CBEDLP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268317388 827295028 /nfs/dbraw/zinc/29/50/28/827295028.db2.gz XKWQWPYUPGMDFI-CHWSQXEVSA-N 2 2 290.367 -0.465 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268317761 827296520 /nfs/dbraw/zinc/29/65/20/827296520.db2.gz ZEXFXOQKENDILM-VXGBXAGGSA-N 2 2 276.340 -0.855 20 30 CBEDLP C=CCC[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268322237 827300454 /nfs/dbraw/zinc/30/04/54/827300454.db2.gz CWSMDXDGTDPUBE-LLVKDONJSA-N 2 2 252.318 -0.405 20 30 CBEDLP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001268331001 827305744 /nfs/dbraw/zinc/30/57/44/827305744.db2.gz FBLHIISVRMJFSC-CYBMUJFWSA-N 2 2 280.372 -0.005 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268707378 827408221 /nfs/dbraw/zinc/40/82/21/827408221.db2.gz BVDQKIFEGNPPLF-WDEREUQCSA-N 2 2 293.371 -0.263 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269083230 827461257 /nfs/dbraw/zinc/46/12/57/827461257.db2.gz GEZXXOFPJRZNLV-STQMWFEESA-N 2 2 296.415 -0.181 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269083230 827461261 /nfs/dbraw/zinc/46/12/61/827461261.db2.gz GEZXXOFPJRZNLV-STQMWFEESA-N 2 2 296.415 -0.181 20 30 CBEDLP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270027769 827541748 /nfs/dbraw/zinc/54/17/48/827541748.db2.gz MIPDALNKXOVOOO-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270027769 827541751 /nfs/dbraw/zinc/54/17/51/827541751.db2.gz MIPDALNKXOVOOO-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001271208015 827676514 /nfs/dbraw/zinc/67/65/14/827676514.db2.gz GTZPIYXJLXWMBJ-CQSZACIVSA-N 2 2 276.340 -0.472 20 30 CBEDLP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001271208015 827676523 /nfs/dbraw/zinc/67/65/23/827676523.db2.gz GTZPIYXJLXWMBJ-CQSZACIVSA-N 2 2 276.340 -0.472 20 30 CBEDLP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001272197094 827769851 /nfs/dbraw/zinc/76/98/51/827769851.db2.gz RRECRIQVIIPCKR-ZDUSSCGKSA-N 2 2 290.367 -0.511 20 30 CBEDLP C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001275580245 828102344 /nfs/dbraw/zinc/10/23/44/828102344.db2.gz KYTZOHIDQAMUNV-MNOVXSKESA-N 2 2 292.343 -0.994 20 30 CBEDLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001275580246 828102640 /nfs/dbraw/zinc/10/26/40/828102640.db2.gz KYTZOHIDQAMUNV-QWRGUYRKSA-N 2 2 292.343 -0.994 20 30 CBEDLP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001278104937 828248026 /nfs/dbraw/zinc/24/80/26/828248026.db2.gz BYFBXIGRWJOKQR-STQMWFEESA-N 2 2 290.367 -0.465 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001278778725 828288403 /nfs/dbraw/zinc/28/84/03/828288403.db2.gz CNBBZGWHOSMXDO-GFCCVEGCSA-N 2 2 286.335 -0.010 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001278868211 828302609 /nfs/dbraw/zinc/30/26/09/828302609.db2.gz QZUFQRLYGSIMCF-AWEZNQCLSA-N 2 2 291.395 -0.486 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001278931579 828311644 /nfs/dbraw/zinc/31/16/44/828311644.db2.gz DDZKVIJGYHJWJX-UHFFFAOYSA-N 2 2 265.357 -0.732 20 30 CBEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001327033787 885231516 /nfs/dbraw/zinc/23/15/16/885231516.db2.gz HJCKWQIHCFQHPS-CYBMUJFWSA-N 2 2 276.340 -0.208 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001330877902 886610893 /nfs/dbraw/zinc/61/08/93/886610893.db2.gz YXHXKDNEXWFHBR-TUAOUCFPSA-N 2 2 281.356 -0.214 20 30 CBEDLP C#CCC[NH2+][C@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001331791968 886985457 /nfs/dbraw/zinc/98/54/57/886985457.db2.gz XUIBNBTYFFQMHX-STQMWFEESA-N 2 2 278.356 -0.076 20 30 CBEDLP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC001331914686 887042159 /nfs/dbraw/zinc/04/21/59/887042159.db2.gz HUEOMQFQEQLFSQ-LBPRGKRZSA-N 2 2 282.388 -0.440 20 30 CBEDLP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001331914686 887042176 /nfs/dbraw/zinc/04/21/76/887042176.db2.gz HUEOMQFQEQLFSQ-LBPRGKRZSA-N 2 2 282.388 -0.440 20 30 CBEDLP C=CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CCOC ZINC001332910867 887472769 /nfs/dbraw/zinc/47/27/69/887472769.db2.gz ZVEWPBRVQBSTFC-ZDUSSCGKSA-N 2 2 285.388 -0.432 20 30 CBEDLP C=CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)CCOC ZINC001332910867 887472774 /nfs/dbraw/zinc/47/27/74/887472774.db2.gz ZVEWPBRVQBSTFC-ZDUSSCGKSA-N 2 2 285.388 -0.432 20 30 CBEDLP C=CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)CCOC ZINC001332910867 887472782 /nfs/dbraw/zinc/47/27/82/887472782.db2.gz ZVEWPBRVQBSTFC-ZDUSSCGKSA-N 2 2 285.388 -0.432 20 30 CBEDLP C=CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)CCOC ZINC001332910867 887472788 /nfs/dbraw/zinc/47/27/88/887472788.db2.gz ZVEWPBRVQBSTFC-ZDUSSCGKSA-N 2 2 285.388 -0.432 20 30 CBEDLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])CCCC#N ZINC001336711198 888852556 /nfs/dbraw/zinc/85/25/56/888852556.db2.gz HWHPLVPAZDYDTK-QWHCGFSZSA-N 2 2 298.387 -0.841 20 30 CBEDLP C#CC[NH2+]CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001340853721 889498442 /nfs/dbraw/zinc/49/84/42/889498442.db2.gz PJPDPMJIKRXVLB-UHFFFAOYSA-N 2 2 291.355 -0.623 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001340865116 889501557 /nfs/dbraw/zinc/50/15/57/889501557.db2.gz NKYDFHKWOFDWLI-UONOGXRCSA-N 2 2 279.384 -0.031 20 30 CBEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001341649661 889639953 /nfs/dbraw/zinc/63/99/53/889639953.db2.gz NUECUFZUJLKMEF-DBIOUOCHSA-N 2 2 259.313 -0.249 20 30 CBEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC001341649663 889640189 /nfs/dbraw/zinc/64/01/89/889640189.db2.gz NUECUFZUJLKMEF-GWOFURMSSA-N 2 2 259.313 -0.249 20 30 CBEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001343490163 889922129 /nfs/dbraw/zinc/92/21/29/889922129.db2.gz MLZCSYFLFCLMHN-NWDGAFQWSA-N 2 2 255.362 -0.195 20 30 CBEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001343490163 889922138 /nfs/dbraw/zinc/92/21/38/889922138.db2.gz MLZCSYFLFCLMHN-NWDGAFQWSA-N 2 2 255.362 -0.195 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001349327740 890797037 /nfs/dbraw/zinc/79/70/37/890797037.db2.gz SOBCFRHAALRCDZ-HNNXBMFYSA-N 2 2 290.411 -0.458 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](C)C2)CC1 ZINC001349327740 890797042 /nfs/dbraw/zinc/79/70/42/890797042.db2.gz SOBCFRHAALRCDZ-HNNXBMFYSA-N 2 2 290.411 -0.458 20 30 CBEDLP CC[C@@H](CC#N)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001353247326 891388923 /nfs/dbraw/zinc/38/89/23/891388923.db2.gz OMWNKTSJFAISFM-STQMWFEESA-N 2 2 254.378 -0.123 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](CO)c2c[nH+]cn2C)CC1 ZINC001354093723 891513507 /nfs/dbraw/zinc/51/35/07/891513507.db2.gz XRAPGGKYAXYRSV-ZDUSSCGKSA-N 2 2 290.367 -0.085 20 30 CBEDLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CC#N)CC2)C1 ZINC001354448317 891581912 /nfs/dbraw/zinc/58/19/12/891581912.db2.gz PGKHMMJOHQYHMF-UONOGXRCSA-N 2 2 266.389 -0.027 20 30 CBEDLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CC#N)CC2)C1 ZINC001354448317 891581917 /nfs/dbraw/zinc/58/19/17/891581917.db2.gz PGKHMMJOHQYHMF-UONOGXRCSA-N 2 2 266.389 -0.027 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001367620302 895711306 /nfs/dbraw/zinc/71/13/06/895711306.db2.gz SKZXPMXUZAGDJR-VIFPVBQESA-N 2 2 272.736 -0.229 20 30 CBEDLP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001410830160 904192952 /nfs/dbraw/zinc/19/29/52/904192952.db2.gz ZABPJGCIJIKLOX-SNVBAGLBSA-N 2 2 272.736 -0.298 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505721207 921472149 /nfs/dbraw/zinc/47/21/49/921472149.db2.gz SCRNYSVFKYJXRZ-GHMZBOCLSA-N 2 2 291.355 -0.816 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001505767738 921478020 /nfs/dbraw/zinc/47/80/20/921478020.db2.gz GBMVSCJXECLVAI-NWDGAFQWSA-N 2 2 291.355 -0.885 20 30 CBEDLP C[C@H](NC(=O)NCC#CC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC001477824023 916019094 /nfs/dbraw/zinc/01/90/94/916019094.db2.gz CASNAEDUFRGMFU-KBPBESRZSA-N 2 2 296.415 -0.040 20 30 CBEDLP C[NH+](C)CCCCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001479941731 916224030 /nfs/dbraw/zinc/22/40/30/916224030.db2.gz YIDRNWWYLOHRIO-UHFFFAOYSA-N 2 2 295.431 -0.024 20 30 CBEDLP CC[N@@H+](CC#CCOC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001480966256 916664888 /nfs/dbraw/zinc/66/48/88/916664888.db2.gz AAIAQOIVIBXIFJ-CQSZACIVSA-N 2 2 297.399 -0.595 20 30 CBEDLP CC[N@H+](CC#CCOC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001480966256 916664900 /nfs/dbraw/zinc/66/49/00/916664900.db2.gz AAIAQOIVIBXIFJ-CQSZACIVSA-N 2 2 297.399 -0.595 20 30 CBEDLP CC[NH+](CC#CCOC)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001480966256 916664908 /nfs/dbraw/zinc/66/49/08/916664908.db2.gz AAIAQOIVIBXIFJ-CQSZACIVSA-N 2 2 297.399 -0.595 20 30 CBEDLP CC[NH+](CC#CCOC)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001480966256 916664917 /nfs/dbraw/zinc/66/49/17/916664917.db2.gz AAIAQOIVIBXIFJ-CQSZACIVSA-N 2 2 297.399 -0.595 20 30 CBEDLP COCC#CC[NH2+]CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001481263750 916796017 /nfs/dbraw/zinc/79/60/17/916796017.db2.gz XLOOZIGUYIIXBC-UHFFFAOYSA-N 2 2 278.356 -0.029 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001482585445 917167010 /nfs/dbraw/zinc/16/70/10/917167010.db2.gz TXQFXJXXIVGXMW-CYBMUJFWSA-N 2 2 296.415 -0.227 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001482585445 917167021 /nfs/dbraw/zinc/16/70/21/917167021.db2.gz TXQFXJXXIVGXMW-CYBMUJFWSA-N 2 2 296.415 -0.227 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482585445 917167035 /nfs/dbraw/zinc/16/70/35/917167035.db2.gz TXQFXJXXIVGXMW-CYBMUJFWSA-N 2 2 296.415 -0.227 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001482585445 917167040 /nfs/dbraw/zinc/16/70/40/917167040.db2.gz TXQFXJXXIVGXMW-CYBMUJFWSA-N 2 2 296.415 -0.227 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482743953 917248711 /nfs/dbraw/zinc/24/87/11/917248711.db2.gz MRRVWNJTRPMXDW-OLZOCXBDSA-N 2 2 290.367 -0.465 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001482782463 917280611 /nfs/dbraw/zinc/28/06/11/917280611.db2.gz PSEZJYPSFHBLFO-SNVBAGLBSA-N 2 2 250.302 -0.958 20 30 CBEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001483687231 917636615 /nfs/dbraw/zinc/63/66/15/917636615.db2.gz DKABBSNUHMKNEU-ZDUSSCGKSA-N 2 2 265.357 -0.468 20 30 CBEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001483687231 917636624 /nfs/dbraw/zinc/63/66/24/917636624.db2.gz DKABBSNUHMKNEU-ZDUSSCGKSA-N 2 2 265.357 -0.468 20 30 CBEDLP C#CCC[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]ccc1OC ZINC001486008696 918300843 /nfs/dbraw/zinc/30/08/43/918300843.db2.gz RLBFWXDALQJXJU-ZDUSSCGKSA-N 2 2 291.351 -0.277 20 30 CBEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486009894 918303388 /nfs/dbraw/zinc/30/33/88/918303388.db2.gz DTELELUSKDREBG-CHWSQXEVSA-N 2 2 290.367 -0.465 20 30 CBEDLP CC#CC[NH2+][C@@H](CO)CNC(=O)CCCn1cc[nH+]c1 ZINC001486066259 918355290 /nfs/dbraw/zinc/35/52/90/918355290.db2.gz QJBIMAPLGDIRML-CYBMUJFWSA-N 2 2 278.356 -0.247 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001492423122 919413537 /nfs/dbraw/zinc/41/35/37/919413537.db2.gz MGVSVUHROISFLU-ZDUSSCGKSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001492423122 919413547 /nfs/dbraw/zinc/41/35/47/919413547.db2.gz MGVSVUHROISFLU-ZDUSSCGKSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001492423122 919413554 /nfs/dbraw/zinc/41/35/54/919413554.db2.gz MGVSVUHROISFLU-ZDUSSCGKSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001492423122 919413564 /nfs/dbraw/zinc/41/35/64/919413564.db2.gz MGVSVUHROISFLU-ZDUSSCGKSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001492423103 919414829 /nfs/dbraw/zinc/41/48/29/919414829.db2.gz MGVSVUHROISFLU-CYBMUJFWSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001492423103 919414839 /nfs/dbraw/zinc/41/48/39/919414839.db2.gz MGVSVUHROISFLU-CYBMUJFWSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492423103 919414850 /nfs/dbraw/zinc/41/48/50/919414850.db2.gz MGVSVUHROISFLU-CYBMUJFWSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492423103 919414858 /nfs/dbraw/zinc/41/48/58/919414858.db2.gz MGVSVUHROISFLU-CYBMUJFWSA-N 2 2 296.415 -0.322 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001494614028 919749404 /nfs/dbraw/zinc/74/94/04/919749404.db2.gz AUHPDWXXEMOORP-CYBMUJFWSA-N 2 2 296.415 -0.323 20 30 CBEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001494861689 919800950 /nfs/dbraw/zinc/80/09/50/919800950.db2.gz JQOIYLIDPSBETB-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001494861689 919800960 /nfs/dbraw/zinc/80/09/60/919800960.db2.gz JQOIYLIDPSBETB-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001497013443 920207460 /nfs/dbraw/zinc/20/74/60/920207460.db2.gz XZTYTHIHEYDVBI-DGCLKSJQSA-N 2 2 278.356 -0.302 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001497018007 920208420 /nfs/dbraw/zinc/20/84/20/920208420.db2.gz PTYXAOIYNXSWPQ-LLVKDONJSA-N 2 2 272.308 -0.352 20 30 CBEDLP CC#CC[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001497079873 920243111 /nfs/dbraw/zinc/24/31/11/920243111.db2.gz HCHXNZYGMCHKOV-SNVBAGLBSA-N 2 2 250.302 -0.958 20 30 CBEDLP CC#CC[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001497079872 920244325 /nfs/dbraw/zinc/24/43/25/920244325.db2.gz HCHXNZYGMCHKOV-JTQLQIEISA-N 2 2 250.302 -0.958 20 30 CBEDLP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001507506449 921860972 /nfs/dbraw/zinc/86/09/72/921860972.db2.gz FVGUXIGRTKCREQ-GFCCVEGCSA-N 2 2 266.345 -0.063 20 30 CBEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000107576447 351795129 /nfs/dbraw/zinc/79/51/29/351795129.db2.gz YDJLGYSMVJPWOX-JTNHKYCSSA-N 2 2 262.357 -0.054 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000124559318 351855965 /nfs/dbraw/zinc/85/59/65/351855965.db2.gz NVTGKVFJFWLTEU-NXEZZACHSA-N 2 2 254.334 -0.190 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000124559318 351855967 /nfs/dbraw/zinc/85/59/67/351855967.db2.gz NVTGKVFJFWLTEU-NXEZZACHSA-N 2 2 254.334 -0.190 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647064 353604052 /nfs/dbraw/zinc/60/40/52/353604052.db2.gz MCHVANBGFUSZPP-UHFFFAOYSA-N 2 2 255.362 -0.323 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647064 353604056 /nfs/dbraw/zinc/60/40/56/353604056.db2.gz MCHVANBGFUSZPP-UHFFFAOYSA-N 2 2 255.362 -0.323 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357083130 353601582 /nfs/dbraw/zinc/60/15/82/353601582.db2.gz IRPQSJKHXNYMTK-QJPTWQEYSA-N 2 2 280.372 -0.072 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357083130 353601583 /nfs/dbraw/zinc/60/15/83/353601583.db2.gz IRPQSJKHXNYMTK-QJPTWQEYSA-N 2 2 280.372 -0.072 20 30 CBEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362830452 353668137 /nfs/dbraw/zinc/66/81/37/353668137.db2.gz KRWPWOJHVZOBSR-GFCCVEGCSA-N 2 2 280.372 -0.815 20 30 CBEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362830452 353668138 /nfs/dbraw/zinc/66/81/38/353668138.db2.gz KRWPWOJHVZOBSR-GFCCVEGCSA-N 2 2 280.372 -0.815 20 30 CBEDLP O[C@H]1C[N@H+](CC#CC[NH+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000367054561 353680120 /nfs/dbraw/zinc/68/01/20/353680120.db2.gz KJDKJDQDGYGEAX-OKILXGFUSA-N 2 2 276.380 -0.097 20 30 CBEDLP O[C@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000367054561 353680123 /nfs/dbraw/zinc/68/01/23/353680123.db2.gz KJDKJDQDGYGEAX-OKILXGFUSA-N 2 2 276.380 -0.097 20 30 CBEDLP O[C@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000367054561 353680125 /nfs/dbraw/zinc/68/01/25/353680125.db2.gz KJDKJDQDGYGEAX-OKILXGFUSA-N 2 2 276.380 -0.097 20 30 CBEDLP O[C@H]1C[NH+](CC#CC[N@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000367054561 353680128 /nfs/dbraw/zinc/68/01/28/353680128.db2.gz KJDKJDQDGYGEAX-OKILXGFUSA-N 2 2 276.380 -0.097 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420372651 354126306 /nfs/dbraw/zinc/12/63/06/354126306.db2.gz QHRSBVZNWYDCNV-JFGNBEQYSA-N 2 2 268.361 -0.026 20 30 CBEDLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424133460 354210085 /nfs/dbraw/zinc/21/00/85/354210085.db2.gz MJMKSVSYOUKABC-NWDGAFQWSA-N 2 2 268.361 -0.156 20 30 CBEDLP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000424170653 354214427 /nfs/dbraw/zinc/21/44/27/354214427.db2.gz IOGRJLQTAINSMM-STQMWFEESA-N 2 2 280.372 -0.013 20 30 CBEDLP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000424170653 354214430 /nfs/dbraw/zinc/21/44/30/354214430.db2.gz IOGRJLQTAINSMM-STQMWFEESA-N 2 2 280.372 -0.013 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430936809 354251455 /nfs/dbraw/zinc/25/14/55/354251455.db2.gz XCAXKELYBLDVLH-MNOVXSKESA-N 2 2 268.361 -0.072 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430936809 354251458 /nfs/dbraw/zinc/25/14/58/354251458.db2.gz XCAXKELYBLDVLH-MNOVXSKESA-N 2 2 268.361 -0.072 20 30 CBEDLP C#C[C@@H](C)[N@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000491289326 354453434 /nfs/dbraw/zinc/45/34/34/354453434.db2.gz YIEADBKKJIDMLF-LLVKDONJSA-N 2 2 278.356 -0.086 20 30 CBEDLP C#C[C@@H](C)[N@@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000491289326 354453437 /nfs/dbraw/zinc/45/34/37/354453437.db2.gz YIEADBKKJIDMLF-LLVKDONJSA-N 2 2 278.356 -0.086 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2(C)C)CC1 ZINC000491315722 354454288 /nfs/dbraw/zinc/45/42/88/354454288.db2.gz PUUDWWRQIRLJOX-CYBMUJFWSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2(C)C)CC1 ZINC000491315722 354454290 /nfs/dbraw/zinc/45/42/90/354454290.db2.gz PUUDWWRQIRLJOX-CYBMUJFWSA-N 2 2 279.384 -0.391 20 30 CBEDLP C=CCN1CC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000519426531 354561846 /nfs/dbraw/zinc/56/18/46/354561846.db2.gz LJKXCRJPULGDOF-UTUOFQBUSA-N 2 2 278.356 -0.983 20 30 CBEDLP C=CCN1CC[C@@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000570683597 354868053 /nfs/dbraw/zinc/86/80/53/354868053.db2.gz XNEQYDKYWHQJRR-UONOGXRCSA-N 2 2 278.400 -0.247 20 30 CBEDLP C[N@H+](CCC#N)C[C@H](O)CN[C@H](CO)C[NH+]1CCCC1 ZINC000570966269 354875014 /nfs/dbraw/zinc/87/50/14/354875014.db2.gz RTGBYBYDEUUHTA-UONOGXRCSA-N 2 2 284.404 -0.761 20 30 CBEDLP C[N@@H+](CCC#N)C[C@H](O)CN[C@H](CO)C[NH+]1CCCC1 ZINC000570966269 354875016 /nfs/dbraw/zinc/87/50/16/354875016.db2.gz RTGBYBYDEUUHTA-UONOGXRCSA-N 2 2 284.404 -0.761 20 30 CBEDLP C[N@H+](CCC#N)C[C@@H](O)CN[C@@H](CO)C[NH+]1CCCC1 ZINC000570966268 354875200 /nfs/dbraw/zinc/87/52/00/354875200.db2.gz RTGBYBYDEUUHTA-KGLIPLIRSA-N 2 2 284.404 -0.761 20 30 CBEDLP C[N@@H+](CCC#N)C[C@@H](O)CN[C@@H](CO)C[NH+]1CCCC1 ZINC000570966268 354875203 /nfs/dbraw/zinc/87/52/03/354875203.db2.gz RTGBYBYDEUUHTA-KGLIPLIRSA-N 2 2 284.404 -0.761 20 30 CBEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC000591767361 355113565 /nfs/dbraw/zinc/11/35/65/355113565.db2.gz FZGCKVVRFZVOJW-AWEZNQCLSA-N 2 2 290.367 -0.291 20 30 CBEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC000591767361 355113570 /nfs/dbraw/zinc/11/35/70/355113570.db2.gz FZGCKVVRFZVOJW-AWEZNQCLSA-N 2 2 290.367 -0.291 20 30 CBEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592148521 355134879 /nfs/dbraw/zinc/13/48/79/355134879.db2.gz ZJWVFCDNBBOUDG-UKRRQHHQSA-N 2 2 294.399 -0.111 20 30 CBEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592148521 355134881 /nfs/dbraw/zinc/13/48/81/355134881.db2.gz ZJWVFCDNBBOUDG-UKRRQHHQSA-N 2 2 294.399 -0.111 20 30 CBEDLP N#CCCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000594445503 355248559 /nfs/dbraw/zinc/24/85/59/355248559.db2.gz GOZYLVLSOLYDMT-LBPRGKRZSA-N 2 2 268.361 -0.154 20 30 CBEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594874182 355265770 /nfs/dbraw/zinc/26/57/70/355265770.db2.gz MJZUBNJMKCQWBU-QWHCGFSZSA-N 2 2 292.383 -0.569 20 30 CBEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594874182 355265774 /nfs/dbraw/zinc/26/57/74/355265774.db2.gz MJZUBNJMKCQWBU-QWHCGFSZSA-N 2 2 292.383 -0.569 20 30 CBEDLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600736468 355564437 /nfs/dbraw/zinc/56/44/37/355564437.db2.gz AHYZCLQEXPOLAJ-KBPBESRZSA-N 2 2 293.367 -0.190 20 30 CBEDLP N#Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)o1 ZINC000600767263 355566206 /nfs/dbraw/zinc/56/62/06/355566206.db2.gz AJEXIRYQJBTGQO-CABZTGNLSA-N 2 2 260.297 -0.105 20 30 CBEDLP N#Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)o1 ZINC000600767263 355566208 /nfs/dbraw/zinc/56/62/08/355566208.db2.gz AJEXIRYQJBTGQO-CABZTGNLSA-N 2 2 260.297 -0.105 20 30 CBEDLP C[N@@H+]1CCN(C(=O)Cc2ccc(C#N)nc2)[C@H](C[NH3+])C1 ZINC000602432825 355650077 /nfs/dbraw/zinc/65/00/77/355650077.db2.gz JAZQBUGJSGFKBJ-CYBMUJFWSA-N 2 2 273.340 -0.403 20 30 CBEDLP C[N@H+]1CCN(C(=O)Cc2ccc(C#N)nc2)[C@H](C[NH3+])C1 ZINC000602432825 355650081 /nfs/dbraw/zinc/65/00/81/355650081.db2.gz JAZQBUGJSGFKBJ-CYBMUJFWSA-N 2 2 273.340 -0.403 20 30 CBEDLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000602547855 355660251 /nfs/dbraw/zinc/66/02/51/355660251.db2.gz SSVZKVUZKQJMKB-NEPJUHHUSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000602547855 355660254 /nfs/dbraw/zinc/66/02/54/355660254.db2.gz SSVZKVUZKQJMKB-NEPJUHHUSA-N 2 2 268.361 -0.156 20 30 CBEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851894 355675254 /nfs/dbraw/zinc/67/52/54/355675254.db2.gz XXEAZHJSGMVCON-ZNMIVQPWSA-N 2 2 298.431 -0.156 20 30 CBEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851894 355675256 /nfs/dbraw/zinc/67/52/56/355675256.db2.gz XXEAZHJSGMVCON-ZNMIVQPWSA-N 2 2 298.431 -0.156 20 30 CBEDLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851894 355675261 /nfs/dbraw/zinc/67/52/61/355675261.db2.gz XXEAZHJSGMVCON-ZNMIVQPWSA-N 2 2 298.431 -0.156 20 30 CBEDLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851894 355675263 /nfs/dbraw/zinc/67/52/63/355675263.db2.gz XXEAZHJSGMVCON-ZNMIVQPWSA-N 2 2 298.431 -0.156 20 30 CBEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602851891 355675695 /nfs/dbraw/zinc/67/56/95/355675695.db2.gz XXEAZHJSGMVCON-KFWWJZLASA-N 2 2 298.431 -0.156 20 30 CBEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602851891 355675696 /nfs/dbraw/zinc/67/56/96/355675696.db2.gz XXEAZHJSGMVCON-KFWWJZLASA-N 2 2 298.431 -0.156 20 30 CBEDLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)N1CC#N ZINC000602856798 355676323 /nfs/dbraw/zinc/67/63/23/355676323.db2.gz NPPMRAIZSOJLTQ-OKILXGFUSA-N 2 2 293.415 -0.321 20 30 CBEDLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)N1CC#N ZINC000602856798 355676326 /nfs/dbraw/zinc/67/63/26/355676326.db2.gz NPPMRAIZSOJLTQ-OKILXGFUSA-N 2 2 293.415 -0.321 20 30 CBEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603833610 355720954 /nfs/dbraw/zinc/72/09/54/355720954.db2.gz XRGPQYRHUAVGOZ-WOPDTQHZSA-N 2 2 250.346 -0.102 20 30 CBEDLP C=CCN1CC[C@@H]([NH+]2CCC([NH2+]CCO)CC2)C1=O ZINC000631863538 356913584 /nfs/dbraw/zinc/91/35/84/356913584.db2.gz ZWHXZVUNPSCZHC-CYBMUJFWSA-N 2 2 267.373 -0.180 20 30 CBEDLP CC#CC[NH2+]Cc1cn(C[C@H](O)C[N@@H+](C)CC)nn1 ZINC000641222606 357681845 /nfs/dbraw/zinc/68/18/45/357681845.db2.gz MOUVGLYHEVZBCV-CYBMUJFWSA-N 2 2 265.361 -0.296 20 30 CBEDLP CC#CC[NH2+]Cc1cn(C[C@H](O)C[N@H+](C)CC)nn1 ZINC000641222606 357681846 /nfs/dbraw/zinc/68/18/46/357681846.db2.gz MOUVGLYHEVZBCV-CYBMUJFWSA-N 2 2 265.361 -0.296 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000245919179 372883532 /nfs/dbraw/zinc/88/35/32/372883532.db2.gz LZSFQZMQWHXWGR-CABCVRRESA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000245919179 372883543 /nfs/dbraw/zinc/88/35/43/372883543.db2.gz LZSFQZMQWHXWGR-CABCVRRESA-N 2 2 292.427 -0.164 20 30 CBEDLP C=CCNC(=O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000393834177 373581164 /nfs/dbraw/zinc/58/11/64/373581164.db2.gz OMYSXBHZALUFPH-UHFFFAOYSA-N 2 2 251.334 -0.122 20 30 CBEDLP C[NH+]=C(NCCn1cccc1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000153205401 220213827 /nfs/dbraw/zinc/21/38/27/220213827.db2.gz AYWFQIYWOYUQON-CYBMUJFWSA-N 2 2 279.388 -0.016 20 30 CBEDLP C[NH+]=C(NCCn1cccc1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000153205401 220213831 /nfs/dbraw/zinc/21/38/31/220213831.db2.gz AYWFQIYWOYUQON-CYBMUJFWSA-N 2 2 279.388 -0.016 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@](C)(CO)C(C)C)CC1 ZINC000491706405 373704917 /nfs/dbraw/zinc/70/49/17/373704917.db2.gz DXLJCHSINVAHGF-HNNXBMFYSA-N 2 2 281.400 -0.240 20 30 CBEDLP C=CCNC(=[NH+]C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261955245 220246180 /nfs/dbraw/zinc/24/61/80/220246180.db2.gz IOOVEXJWTQXCED-UHFFFAOYSA-N 2 2 281.404 -0.156 20 30 CBEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000644549075 374591988 /nfs/dbraw/zinc/59/19/88/374591988.db2.gz OILCWKUMSHPRKZ-HNNXBMFYSA-N 2 2 283.416 -0.081 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266882652 190286888 /nfs/dbraw/zinc/28/68/88/190286888.db2.gz ATHRIPOMROUARJ-GFCCVEGCSA-N 2 2 275.356 -0.320 20 30 CBEDLP C=CCN1CC[C@@H]([NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1=O ZINC000281153589 220281368 /nfs/dbraw/zinc/28/13/68/220281368.db2.gz BMLRYOAWXDWZPW-CYBMUJFWSA-N 2 2 294.399 -0.521 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031536 174026115 /nfs/dbraw/zinc/02/61/15/174026115.db2.gz YOMUYNHGEBDYMD-LLVKDONJSA-N 2 2 268.361 -0.959 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031536 174026116 /nfs/dbraw/zinc/02/61/16/174026116.db2.gz YOMUYNHGEBDYMD-LLVKDONJSA-N 2 2 268.361 -0.959 20 30 CBEDLP C=CCOCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669555274 544753463 /nfs/dbraw/zinc/75/34/63/544753463.db2.gz NFBOECDNISVIFF-LLVKDONJSA-N 2 2 256.350 -0.527 20 30 CBEDLP C=CCOCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669555274 544753468 /nfs/dbraw/zinc/75/34/68/544753468.db2.gz NFBOECDNISVIFF-LLVKDONJSA-N 2 2 256.350 -0.527 20 30 CBEDLP C=CCCOCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669545416 544754369 /nfs/dbraw/zinc/75/43/69/544754369.db2.gz HBVPGJHLSOOUCA-LBPRGKRZSA-N 2 2 270.377 -0.137 20 30 CBEDLP C=CCCOCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669545416 544754373 /nfs/dbraw/zinc/75/43/73/544754373.db2.gz HBVPGJHLSOOUCA-LBPRGKRZSA-N 2 2 270.377 -0.137 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405834529 420227671 /nfs/dbraw/zinc/22/76/71/420227671.db2.gz BZJXRWLSGXJFGX-IJLUTSLNSA-N 2 2 255.362 -0.027 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405834529 420227675 /nfs/dbraw/zinc/22/76/75/420227675.db2.gz BZJXRWLSGXJFGX-IJLUTSLNSA-N 2 2 255.362 -0.027 20 30 CBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405834530 420228999 /nfs/dbraw/zinc/22/89/99/420228999.db2.gz BZJXRWLSGXJFGX-QJPTWQEYSA-N 2 2 255.362 -0.027 20 30 CBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405834530 420229003 /nfs/dbraw/zinc/22/90/03/420229003.db2.gz BZJXRWLSGXJFGX-QJPTWQEYSA-N 2 2 255.362 -0.027 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)CC(N)=O)CC1 ZINC000490933557 261252608 /nfs/dbraw/zinc/25/26/08/261252608.db2.gz DPSMIQPAZYPEFG-UHFFFAOYSA-N 2 2 280.372 -0.993 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](COC)C2CC2)CC1 ZINC000490933880 261253078 /nfs/dbraw/zinc/25/30/78/261253078.db2.gz GSMGSMGBWMVRNL-CQSZACIVSA-N 2 2 279.384 -0.222 20 30 CBEDLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000564978186 327308847 /nfs/dbraw/zinc/30/88/47/327308847.db2.gz KOIQPJLNJSBATN-UONOGXRCSA-N 2 2 293.367 -0.190 20 30 CBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107370700 330348181 /nfs/dbraw/zinc/34/81/81/330348181.db2.gz LZSFQZMQWHXWGR-LSDHHAIUSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107370700 330348182 /nfs/dbraw/zinc/34/81/82/330348182.db2.gz LZSFQZMQWHXWGR-LSDHHAIUSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCOC)CC1 ZINC000490781144 332115746 /nfs/dbraw/zinc/11/57/46/332115746.db2.gz XDAPGCGUZXUBOV-UHFFFAOYSA-N 2 2 253.346 -0.658 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCOC)CC1 ZINC000490781144 332115747 /nfs/dbraw/zinc/11/57/47/332115747.db2.gz XDAPGCGUZXUBOV-UHFFFAOYSA-N 2 2 253.346 -0.658 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@H](C)[C@H]2C)CC1 ZINC000490922624 332129503 /nfs/dbraw/zinc/12/95/03/332129503.db2.gz FJRYNVXSMMCYLL-HUUCEWRRSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@H](C)[C@H]2C)CC1 ZINC000490922624 332129504 /nfs/dbraw/zinc/12/95/04/332129504.db2.gz FJRYNVXSMMCYLL-HUUCEWRRSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000490948651 332131991 /nfs/dbraw/zinc/13/19/91/332131991.db2.gz GJGRVDDMNMVYMZ-CYBMUJFWSA-N 2 2 289.383 -0.152 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC000491037497 332141119 /nfs/dbraw/zinc/14/11/19/332141119.db2.gz DTPFMOHLQIKKRN-UONOGXRCSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC000491037497 332141120 /nfs/dbraw/zinc/14/11/20/332141120.db2.gz DTPFMOHLQIKKRN-UONOGXRCSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CCNC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000491264130 332176441 /nfs/dbraw/zinc/17/64/41/332176441.db2.gz FEKRQFLAUWTETP-AWEZNQCLSA-N 2 2 279.384 -0.220 20 30 CBEDLP C#CCNC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000491264130 332176442 /nfs/dbraw/zinc/17/64/42/332176442.db2.gz FEKRQFLAUWTETP-AWEZNQCLSA-N 2 2 279.384 -0.220 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000491514957 332227009 /nfs/dbraw/zinc/22/70/09/332227009.db2.gz KWAUANDERVAUMX-CYBMUJFWSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000491514957 332227008 /nfs/dbraw/zinc/22/70/08/332227008.db2.gz KWAUANDERVAUMX-CYBMUJFWSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)CO)CC1 ZINC000491525027 332229865 /nfs/dbraw/zinc/22/98/65/332229865.db2.gz PWNBIPJVIJYLEY-UHFFFAOYSA-N 2 2 281.400 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)CO)CC1 ZINC000491525027 332229867 /nfs/dbraw/zinc/22/98/67/332229867.db2.gz PWNBIPJVIJYLEY-UHFFFAOYSA-N 2 2 281.400 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000491554823 332237091 /nfs/dbraw/zinc/23/70/91/332237091.db2.gz MJFLAEWPTWEVKS-GDBMZVCRSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](CC)CO)CC1 ZINC000491646631 332263728 /nfs/dbraw/zinc/26/37/28/332263728.db2.gz UGKUOLAOSXYGGM-CYBMUJFWSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](CC)CO)CC1 ZINC000491646631 332263729 /nfs/dbraw/zinc/26/37/29/332263729.db2.gz UGKUOLAOSXYGGM-CYBMUJFWSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(CCC[NH+]2CCCC2)CC1 ZINC000491651543 332264854 /nfs/dbraw/zinc/26/48/54/332264854.db2.gz HNWKZYZEYILJCP-UHFFFAOYSA-N 2 2 292.427 -0.161 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@@]2(C)CO)CC1 ZINC000491669005 332276591 /nfs/dbraw/zinc/27/65/91/332276591.db2.gz WXEFLPHKPKDQTQ-HOCLYGCPSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@@H](C)CO)CC1 ZINC000491707996 332300565 /nfs/dbraw/zinc/30/05/65/332300565.db2.gz MJGYYKXUVPDOIK-ZDUSSCGKSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@@H](C)CO)CC1 ZINC000491707996 332300567 /nfs/dbraw/zinc/30/05/67/332300567.db2.gz MJGYYKXUVPDOIK-ZDUSSCGKSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)[C@@H]2C[C@H]2C)CC1 ZINC000491738007 332317742 /nfs/dbraw/zinc/31/77/42/332317742.db2.gz MGBKLJWRQMYVRF-VXGBXAGGSA-N 2 2 278.356 -0.082 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000491744505 332322471 /nfs/dbraw/zinc/32/24/71/332322471.db2.gz XQJATQSCTBOXLM-GASCZTMLSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC000491744505 332322473 /nfs/dbraw/zinc/32/24/73/332322473.db2.gz XQJATQSCTBOXLM-GASCZTMLSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]2CCO)CC1 ZINC000491777302 332342639 /nfs/dbraw/zinc/34/26/39/332342639.db2.gz WXKHGIGEIWVKBX-GJZGRUSLSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000732308022 582158449 /nfs/dbraw/zinc/15/84/49/582158449.db2.gz QVMLTQWBVVYYBB-GJZGRUSLSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000732308022 582158450 /nfs/dbraw/zinc/15/84/50/582158450.db2.gz QVMLTQWBVVYYBB-GJZGRUSLSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CCC([NH+](C)C)CC2)CC1 ZINC000749114678 582289226 /nfs/dbraw/zinc/28/92/26/582289226.db2.gz CBJJNWMPCXTMAT-UHFFFAOYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000749546194 582289891 /nfs/dbraw/zinc/28/98/91/582289891.db2.gz MMDBPFFCIHLINR-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000749546194 582289892 /nfs/dbraw/zinc/28/98/92/582289892.db2.gz MMDBPFFCIHLINR-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000754375049 582299311 /nfs/dbraw/zinc/29/93/11/582299311.db2.gz ZJSGLRAVQXKQPQ-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000754375049 582299312 /nfs/dbraw/zinc/29/93/12/582299312.db2.gz ZJSGLRAVQXKQPQ-HNNXBMFYSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000762715008 582317986 /nfs/dbraw/zinc/31/79/86/582317986.db2.gz DVRQHVFPGPXOJE-GXTWGEPZSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000762715008 582317987 /nfs/dbraw/zinc/31/79/87/582317987.db2.gz DVRQHVFPGPXOJE-GXTWGEPZSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000762715008 582317988 /nfs/dbraw/zinc/31/79/88/582317988.db2.gz DVRQHVFPGPXOJE-GXTWGEPZSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000762715008 582317989 /nfs/dbraw/zinc/31/79/89/582317989.db2.gz DVRQHVFPGPXOJE-GXTWGEPZSA-N 2 2 265.357 -0.733 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000764505455 582323723 /nfs/dbraw/zinc/32/37/23/582323723.db2.gz FJRPLWWBGJZGBS-CYBMUJFWSA-N 2 2 268.405 -0.144 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)CC1 ZINC000768769122 582334545 /nfs/dbraw/zinc/33/45/45/582334545.db2.gz NCMGJMHPJHVHDG-CHWSQXEVSA-N 2 2 265.357 -0.924 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)CC1 ZINC000768769122 582334546 /nfs/dbraw/zinc/33/45/46/582334546.db2.gz NCMGJMHPJHVHDG-CHWSQXEVSA-N 2 2 265.357 -0.924 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000770337476 582338321 /nfs/dbraw/zinc/33/83/21/582338321.db2.gz NRDYCWXGOYVLIB-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000770337476 582338322 /nfs/dbraw/zinc/33/83/22/582338322.db2.gz NRDYCWXGOYVLIB-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000770337476 582338323 /nfs/dbraw/zinc/33/83/23/582338323.db2.gz NRDYCWXGOYVLIB-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000770337476 582338324 /nfs/dbraw/zinc/33/83/24/582338324.db2.gz NRDYCWXGOYVLIB-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)C2CC2)CC1 ZINC000771807775 582341787 /nfs/dbraw/zinc/34/17/87/582341787.db2.gz LPILTMXXDNJVBU-ZDUSSCGKSA-N 2 2 265.357 -0.876 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000778945945 582359955 /nfs/dbraw/zinc/35/99/55/582359955.db2.gz WHMAGLJKADRXPZ-AWEZNQCLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000778945945 582359956 /nfs/dbraw/zinc/35/99/56/582359956.db2.gz WHMAGLJKADRXPZ-AWEZNQCLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(CC)CCOC2)CC1 ZINC000792437349 582395506 /nfs/dbraw/zinc/39/55/06/582395506.db2.gz NUQWAYYBPPCKNH-HNNXBMFYSA-N 2 2 279.384 -0.078 20 30 CBEDLP N#CC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000809575271 582445969 /nfs/dbraw/zinc/44/59/69/582445969.db2.gz XLOUWGPYRXNPMR-CHWSQXEVSA-N 2 2 253.346 -0.085 20 30 CBEDLP N#CC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000809575271 582445970 /nfs/dbraw/zinc/44/59/70/582445970.db2.gz XLOUWGPYRXNPMR-CHWSQXEVSA-N 2 2 253.346 -0.085 20 30 CBEDLP CON=CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000809679041 582446091 /nfs/dbraw/zinc/44/60/91/582446091.db2.gz YSKQVHHJMWVLHY-LLVKDONJSA-N 2 2 268.361 -0.097 20 30 CBEDLP CON=CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000809679041 582446092 /nfs/dbraw/zinc/44/60/92/582446092.db2.gz YSKQVHHJMWVLHY-LLVKDONJSA-N 2 2 268.361 -0.097 20 30 CBEDLP CC[C@@H](O)CN[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000811653898 582451199 /nfs/dbraw/zinc/45/11/99/582451199.db2.gz PMQJMCRNHROICU-CYBMUJFWSA-N 2 2 292.387 -0.077 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC000817288801 582490256 /nfs/dbraw/zinc/49/02/56/582490256.db2.gz NEZAOOOGTDRWFW-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)CC[C@H]2C)CC1 ZINC000817288801 582490257 /nfs/dbraw/zinc/49/02/57/582490257.db2.gz NEZAOOOGTDRWFW-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C=C[C@H](O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000827413480 582815462 /nfs/dbraw/zinc/81/54/62/582815462.db2.gz HAQJEQCKOXWWNH-YPMHNXCESA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C[C@H](O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000827413480 582815463 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C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C)O)CC1 ZINC000852558861 583548507 /nfs/dbraw/zinc/54/85/07/583548507.db2.gz DPSZJDSXMPMEKY-ZIAGYGMSSA-N 2 2 279.384 -0.391 20 30 CBEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852859240 583562152 /nfs/dbraw/zinc/56/21/52/583562152.db2.gz QIELRDLJWPATDS-CYBMUJFWSA-N 2 2 279.384 -0.174 20 30 CBEDLP CN(CC[NH+]1CCOCC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852883857 583567748 /nfs/dbraw/zinc/56/77/48/583567748.db2.gz PSLLQDUTIWMVRC-UHFFFAOYSA-N 2 2 279.384 -0.220 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854355311 583600418 /nfs/dbraw/zinc/60/04/18/583600418.db2.gz YXEWRHJLJQPGFY-GJZGRUSLSA-N 2 2 290.411 -0.410 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000854355311 583600419 /nfs/dbraw/zinc/60/04/19/583600419.db2.gz YXEWRHJLJQPGFY-GJZGRUSLSA-N 2 2 290.411 -0.410 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000854355311 583600420 /nfs/dbraw/zinc/60/04/20/583600420.db2.gz YXEWRHJLJQPGFY-GJZGRUSLSA-N 2 2 290.411 -0.410 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000854355311 583600422 /nfs/dbraw/zinc/60/04/22/583600422.db2.gz YXEWRHJLJQPGFY-GJZGRUSLSA-N 2 2 290.411 -0.410 20 30 CBEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000877034393 584162735 /nfs/dbraw/zinc/16/27/35/584162735.db2.gz GXJGROWYTIABRA-NXEZZACHSA-N 2 2 261.753 -0.097 20 30 CBEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000877034393 584162736 /nfs/dbraw/zinc/16/27/36/584162736.db2.gz GXJGROWYTIABRA-NXEZZACHSA-N 2 2 261.753 -0.097 20 30 CBEDLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000877034739 584162756 /nfs/dbraw/zinc/16/27/56/584162756.db2.gz ORNSMEDOXKWPPV-ZDUSSCGKSA-N 2 2 265.357 -0.564 20 30 CBEDLP C[N@H+]1CCOC[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000877034739 584162757 /nfs/dbraw/zinc/16/27/57/584162757.db2.gz ORNSMEDOXKWPPV-ZDUSSCGKSA-N 2 2 265.357 -0.564 20 30 CBEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C 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C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)[NH2+]CC ZINC000884275587 584371498 /nfs/dbraw/zinc/37/14/98/584371498.db2.gz PNMLPYVRWSSGKK-ZJUUUORDSA-N 2 2 257.334 -0.453 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000884286240 584372317 /nfs/dbraw/zinc/37/23/17/584372317.db2.gz AFWNJDHAGSGYCL-HNCHTBHHSA-N 2 2 283.372 -0.064 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000884293935 584372569 /nfs/dbraw/zinc/37/25/69/584372569.db2.gz OTESYTSYUDQVNK-SDDRHHMPSA-N 2 2 281.356 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000884299470 584372765 /nfs/dbraw/zinc/37/27/65/584372765.db2.gz UYYKVVDTROSGPC-IUCAKERBSA-N 2 2 291.298 -0.454 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000884303990 584372994 /nfs/dbraw/zinc/37/29/94/584372994.db2.gz CWQIVBWZIOJMAI-UWVGGRQHSA-N 2 2 269.345 -0.310 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000884408438 584379803 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XTXAIXWSURLJNQ-FRRDWIJNSA-N 2 2 295.383 -0.014 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000884471478 584383482 /nfs/dbraw/zinc/38/34/82/584383482.db2.gz XTXAIXWSURLJNQ-FRRDWIJNSA-N 2 2 295.383 -0.014 20 30 CBEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000900893695 584831729 /nfs/dbraw/zinc/83/17/29/584831729.db2.gz PQJXDWROTRNELE-UHFFFAOYSA-N 2 2 296.415 -0.098 20 30 CBEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000970761407 612963466 /nfs/dbraw/zinc/96/34/66/612963466.db2.gz CPNPKUGYYPYCNR-CABCVRRESA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969440440 612993978 /nfs/dbraw/zinc/99/39/78/612993978.db2.gz GUCQVLCQHXZACT-OCCSQVGLSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969440440 612993980 /nfs/dbraw/zinc/99/39/80/612993980.db2.gz GUCQVLCQHXZACT-OCCSQVGLSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000941666439 613115114 /nfs/dbraw/zinc/11/51/14/613115114.db2.gz YZKDLZMHGKZBPQ-UHFFFAOYSA-N 2 2 290.411 -0.456 20 30 CBEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962399332 613314541 /nfs/dbraw/zinc/31/45/41/613314541.db2.gz VVSUAXLVCPWNTL-YABSGUDNSA-N 2 2 258.325 -0.060 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962399332 613314543 /nfs/dbraw/zinc/31/45/43/613314543.db2.gz VVSUAXLVCPWNTL-YABSGUDNSA-N 2 2 258.325 -0.060 20 30 CBEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969442052 613663330 /nfs/dbraw/zinc/66/33/30/613663330.db2.gz OGVXLTWPBYPGQW-DGCLKSJQSA-N 2 2 267.373 -0.061 20 30 CBEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969442052 613663331 /nfs/dbraw/zinc/66/33/31/613663331.db2.gz OGVXLTWPBYPGQW-DGCLKSJQSA-N 2 2 267.373 -0.061 20 30 CBEDLP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969442053 613670178 /nfs/dbraw/zinc/67/01/78/613670178.db2.gz OGVXLTWPBYPGQW-WCQYABFASA-N 2 2 267.373 -0.061 20 30 CBEDLP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969442053 613670180 /nfs/dbraw/zinc/67/01/80/613670180.db2.gz OGVXLTWPBYPGQW-WCQYABFASA-N 2 2 267.373 -0.061 20 30 CBEDLP COCC[N@H+](C)CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000171412940 656082968 /nfs/dbraw/zinc/08/29/68/656082968.db2.gz DAEGVDJVSSCCNK-NSHDSACASA-N 2 2 258.366 -0.352 20 30 CBEDLP COCC[N@@H+](C)CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000171412940 656082971 /nfs/dbraw/zinc/08/29/71/656082971.db2.gz DAEGVDJVSSCCNK-NSHDSACASA-N 2 2 258.366 -0.352 20 30 CBEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCO[C@@H](COC)C1 ZINC000261951857 656128027 /nfs/dbraw/zinc/12/80/27/656128027.db2.gz OAGKDTUAFBWVKS-GFCCVEGCSA-N 2 2 270.377 -0.385 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000884426538 656253183 /nfs/dbraw/zinc/25/31/83/656253183.db2.gz OQNHRVVUUVZMJM-SUNKGSAMSA-N 2 2 281.356 -0.227 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000905621090 656363677 /nfs/dbraw/zinc/36/36/77/656363677.db2.gz ZLLBGZCPRPSFOZ-AWEZNQCLSA-N 2 2 279.384 -0.031 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000905621090 656363678 /nfs/dbraw/zinc/36/36/78/656363678.db2.gz ZLLBGZCPRPSFOZ-AWEZNQCLSA-N 2 2 279.384 -0.031 20 30 CBEDLP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010426804 657185548 /nfs/dbraw/zinc/18/55/48/657185548.db2.gz JXKGQKHDXDMXHZ-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010426804 657185542 /nfs/dbraw/zinc/18/55/42/657185542.db2.gz JXKGQKHDXDMXHZ-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010426804 657185553 /nfs/dbraw/zinc/18/55/53/657185553.db2.gz JXKGQKHDXDMXHZ-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010426804 657185562 /nfs/dbraw/zinc/18/55/62/657185562.db2.gz JXKGQKHDXDMXHZ-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001014779168 657381960 /nfs/dbraw/zinc/38/19/60/657381960.db2.gz JNUHKQIDCIRZCO-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001014779168 657381964 /nfs/dbraw/zinc/38/19/64/657381964.db2.gz JNUHKQIDCIRZCO-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001014779168 657381968 /nfs/dbraw/zinc/38/19/68/657381968.db2.gz JNUHKQIDCIRZCO-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO)C1 ZINC001014779168 657381972 /nfs/dbraw/zinc/38/19/72/657381972.db2.gz JNUHKQIDCIRZCO-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001014922284 657390957 /nfs/dbraw/zinc/39/09/57/657390957.db2.gz BDHHVBAITXQWTQ-JHJVBQTASA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001014922284 657390960 /nfs/dbraw/zinc/39/09/60/657390960.db2.gz BDHHVBAITXQWTQ-JHJVBQTASA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014922284 657390964 /nfs/dbraw/zinc/39/09/64/657390964.db2.gz BDHHVBAITXQWTQ-JHJVBQTASA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001014922284 657390969 /nfs/dbraw/zinc/39/09/69/657390969.db2.gz BDHHVBAITXQWTQ-JHJVBQTASA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000916882892 657792488 /nfs/dbraw/zinc/79/24/88/657792488.db2.gz MFRWTHGZDUQOGQ-AWEZNQCLSA-N 2 2 294.399 -0.286 20 30 CBEDLP C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000916882892 657792496 /nfs/dbraw/zinc/79/24/96/657792496.db2.gz MFRWTHGZDUQOGQ-AWEZNQCLSA-N 2 2 294.399 -0.286 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000923551655 658316846 /nfs/dbraw/zinc/31/68/46/658316846.db2.gz CANMKBWJVIXLNA-LSDHHAIUSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000923551654 658318549 /nfs/dbraw/zinc/31/85/49/658318549.db2.gz CANMKBWJVIXLNA-HUUCEWRRSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H](C)O2)C1 ZINC000923552901 658321738 /nfs/dbraw/zinc/32/17/38/658321738.db2.gz FDVMHALSSYTGHH-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H](C)O2)C1 ZINC000923552901 658321749 /nfs/dbraw/zinc/32/17/49/658321749.db2.gz FDVMHALSSYTGHH-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)C[C@H](C)O2)C1 ZINC000923552901 658321763 /nfs/dbraw/zinc/32/17/63/658321763.db2.gz FDVMHALSSYTGHH-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)C[C@H](C)O2)C1 ZINC000923552901 658321783 /nfs/dbraw/zinc/32/17/83/658321783.db2.gz FDVMHALSSYTGHH-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805280 805627608 /nfs/dbraw/zinc/62/76/08/805627608.db2.gz AJJSWCIWEFLRSA-FRRDWIJNSA-N 2 2 265.357 -0.735 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076805280 805627615 /nfs/dbraw/zinc/62/76/15/805627615.db2.gz AJJSWCIWEFLRSA-FRRDWIJNSA-N 2 2 265.357 -0.735 20 30 CBEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076805280 805627618 /nfs/dbraw/zinc/62/76/18/805627618.db2.gz AJJSWCIWEFLRSA-FRRDWIJNSA-N 2 2 265.357 -0.735 20 30 CBEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076805280 805627625 /nfs/dbraw/zinc/62/76/25/805627625.db2.gz AJJSWCIWEFLRSA-FRRDWIJNSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000923595246 790923882 /nfs/dbraw/zinc/92/38/82/790923882.db2.gz RGKWAYBHCXDWQN-HNNXBMFYSA-N 2 2 292.427 -0.306 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000923595246 790923887 /nfs/dbraw/zinc/92/38/87/790923887.db2.gz RGKWAYBHCXDWQN-HNNXBMFYSA-N 2 2 292.427 -0.306 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000923595246 790923895 /nfs/dbraw/zinc/92/38/95/790923895.db2.gz RGKWAYBHCXDWQN-HNNXBMFYSA-N 2 2 292.427 -0.306 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000923595246 790923906 /nfs/dbraw/zinc/92/39/06/790923906.db2.gz RGKWAYBHCXDWQN-HNNXBMFYSA-N 2 2 292.427 -0.306 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077237351 805705303 /nfs/dbraw/zinc/70/53/03/805705303.db2.gz HCZNRLXUVNIFAN-FRRDWIJNSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077237351 805705311 /nfs/dbraw/zinc/70/53/11/805705311.db2.gz HCZNRLXUVNIFAN-FRRDWIJNSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077237351 805705321 /nfs/dbraw/zinc/70/53/21/805705321.db2.gz HCZNRLXUVNIFAN-FRRDWIJNSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077237351 805705330 /nfs/dbraw/zinc/70/53/30/805705330.db2.gz HCZNRLXUVNIFAN-FRRDWIJNSA-N 2 2 267.373 -0.182 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011762 805824788 /nfs/dbraw/zinc/82/47/88/805824788.db2.gz GUXQVCHTXWFHSO-CHWSQXEVSA-N 2 2 277.368 -0.733 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011762 805824805 /nfs/dbraw/zinc/82/48/05/805824805.db2.gz GUXQVCHTXWFHSO-CHWSQXEVSA-N 2 2 277.368 -0.733 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001078228601 805859119 /nfs/dbraw/zinc/85/91/19/805859119.db2.gz XCPFUQJKDAJDFL-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001078228601 805859128 /nfs/dbraw/zinc/85/91/28/805859128.db2.gz XCPFUQJKDAJDFL-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001078228601 805859137 /nfs/dbraw/zinc/85/91/37/805859137.db2.gz XCPFUQJKDAJDFL-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001078228601 805859142 /nfs/dbraw/zinc/85/91/42/805859142.db2.gz XCPFUQJKDAJDFL-HZSPNIEDSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079527843 805923441 /nfs/dbraw/zinc/92/34/41/805923441.db2.gz HFRKEJJPTZOAFN-MGPQQGTHSA-N 2 2 279.384 -0.223 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079527843 805923449 /nfs/dbraw/zinc/92/34/49/805923449.db2.gz HFRKEJJPTZOAFN-MGPQQGTHSA-N 2 2 279.384 -0.223 20 30 CBEDLP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079527843 805923455 /nfs/dbraw/zinc/92/34/55/805923455.db2.gz HFRKEJJPTZOAFN-MGPQQGTHSA-N 2 2 279.384 -0.223 20 30 CBEDLP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079527843 805923461 /nfs/dbraw/zinc/92/34/61/805923461.db2.gz HFRKEJJPTZOAFN-MGPQQGTHSA-N 2 2 279.384 -0.223 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001079879464 805950284 /nfs/dbraw/zinc/95/02/84/805950284.db2.gz SYSVDAPAKWBOPH-KFWWJZLASA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001079879464 805950290 /nfs/dbraw/zinc/95/02/90/805950290.db2.gz SYSVDAPAKWBOPH-KFWWJZLASA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1C ZINC001079879464 805950294 /nfs/dbraw/zinc/95/02/94/805950294.db2.gz SYSVDAPAKWBOPH-KFWWJZLASA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1C ZINC001079879464 805950300 /nfs/dbraw/zinc/95/03/00/805950300.db2.gz SYSVDAPAKWBOPH-KFWWJZLASA-N 2 2 293.411 -0.097 20 30 CBEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481388 806088575 /nfs/dbraw/zinc/08/85/75/806088575.db2.gz GLNULCGCLKKHSM-MCIONIFRSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481388 806088583 /nfs/dbraw/zinc/08/85/83/806088583.db2.gz GLNULCGCLKKHSM-MCIONIFRSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481388 806088593 /nfs/dbraw/zinc/08/85/93/806088593.db2.gz GLNULCGCLKKHSM-MCIONIFRSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481388 806088603 /nfs/dbraw/zinc/08/86/03/806088603.db2.gz GLNULCGCLKKHSM-MCIONIFRSA-N 2 2 297.399 -0.292 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481323 806089181 /nfs/dbraw/zinc/08/91/81/806089181.db2.gz DNRSPIBRGVYVCV-JHJVBQTASA-N 2 2 283.372 -0.682 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481323 806089191 /nfs/dbraw/zinc/08/91/91/806089191.db2.gz DNRSPIBRGVYVCV-JHJVBQTASA-N 2 2 283.372 -0.682 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481323 806089196 /nfs/dbraw/zinc/08/91/96/806089196.db2.gz DNRSPIBRGVYVCV-JHJVBQTASA-N 2 2 283.372 -0.682 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481323 806089204 /nfs/dbraw/zinc/08/92/04/806089204.db2.gz DNRSPIBRGVYVCV-JHJVBQTASA-N 2 2 283.372 -0.682 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC)C[C@H]1OC ZINC001081811407 806122815 /nfs/dbraw/zinc/12/28/15/806122815.db2.gz WOUIPKSZBXKVKI-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1OC ZINC001081811407 806122821 /nfs/dbraw/zinc/12/28/21/806122821.db2.gz WOUIPKSZBXKVKI-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC)C[C@H]1OC ZINC001081811407 806122826 /nfs/dbraw/zinc/12/28/26/806122826.db2.gz WOUIPKSZBXKVKI-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC)C[C@H]1OC ZINC001081811407 806122830 /nfs/dbraw/zinc/12/28/30/806122830.db2.gz WOUIPKSZBXKVKI-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182393 806236329 /nfs/dbraw/zinc/23/63/29/806236329.db2.gz BCWUXTXEFMNAMS-LSDHHAIUSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083182393 806236333 /nfs/dbraw/zinc/23/63/33/806236333.db2.gz BCWUXTXEFMNAMS-LSDHHAIUSA-N 2 2 291.395 -0.127 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385198 806298440 /nfs/dbraw/zinc/29/84/40/806298440.db2.gz GNBDXGCSXUHDBM-FRRDWIJNSA-N 2 2 283.372 -0.946 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385198 806298442 /nfs/dbraw/zinc/29/84/42/806298442.db2.gz GNBDXGCSXUHDBM-FRRDWIJNSA-N 2 2 283.372 -0.946 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385198 806298449 /nfs/dbraw/zinc/29/84/49/806298449.db2.gz GNBDXGCSXUHDBM-FRRDWIJNSA-N 2 2 283.372 -0.946 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385198 806298453 /nfs/dbraw/zinc/29/84/53/806298453.db2.gz GNBDXGCSXUHDBM-FRRDWIJNSA-N 2 2 283.372 -0.946 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083456268 806333326 /nfs/dbraw/zinc/33/33/26/806333326.db2.gz OEFBHAIBHBPGGV-MCIONIFRSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083456268 806333334 /nfs/dbraw/zinc/33/33/34/806333334.db2.gz OEFBHAIBHBPGGV-MCIONIFRSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456268 806333345 /nfs/dbraw/zinc/33/33/45/806333345.db2.gz OEFBHAIBHBPGGV-MCIONIFRSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456268 806333353 /nfs/dbraw/zinc/33/33/53/806333353.db2.gz OEFBHAIBHBPGGV-MCIONIFRSA-N 2 2 279.384 -0.346 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522037 806353038 /nfs/dbraw/zinc/35/30/38/806353038.db2.gz QYYBSYGNLFXOBD-KFWWJZLASA-N 2 2 293.411 -0.241 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522037 806353046 /nfs/dbraw/zinc/35/30/46/806353046.db2.gz QYYBSYGNLFXOBD-KFWWJZLASA-N 2 2 293.411 -0.241 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522037 806353056 /nfs/dbraw/zinc/35/30/56/806353056.db2.gz QYYBSYGNLFXOBD-KFWWJZLASA-N 2 2 293.411 -0.241 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083522037 806353065 /nfs/dbraw/zinc/35/30/65/806353065.db2.gz QYYBSYGNLFXOBD-KFWWJZLASA-N 2 2 293.411 -0.241 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645301 806390379 /nfs/dbraw/zinc/39/03/79/806390379.db2.gz UOYAODVUSJSUIB-OLZOCXBDSA-N 2 2 278.356 -0.071 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645301 806390388 /nfs/dbraw/zinc/39/03/88/806390388.db2.gz UOYAODVUSJSUIB-OLZOCXBDSA-N 2 2 278.356 -0.071 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954432 806467543 /nfs/dbraw/zinc/46/75/43/806467543.db2.gz ZLJRCSVOHAIPMU-OLZOCXBDSA-N 2 2 276.340 -0.853 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954432 806467549 /nfs/dbraw/zinc/46/75/49/806467549.db2.gz ZLJRCSVOHAIPMU-OLZOCXBDSA-N 2 2 276.340 -0.853 20 30 CBEDLP C=CCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954413 806468594 /nfs/dbraw/zinc/46/85/94/806468594.db2.gz YWEBYYQNCZMPLY-OLZOCXBDSA-N 2 2 278.356 -0.300 20 30 CBEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954413 806468597 /nfs/dbraw/zinc/46/85/97/806468597.db2.gz YWEBYYQNCZMPLY-OLZOCXBDSA-N 2 2 278.356 -0.300 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084077804 806486211 /nfs/dbraw/zinc/48/62/11/806486211.db2.gz BZGBFNWMYVYGLP-HZSPNIEDSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084077804 806486215 /nfs/dbraw/zinc/48/62/15/806486215.db2.gz BZGBFNWMYVYGLP-HZSPNIEDSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084077804 806486221 /nfs/dbraw/zinc/48/62/21/806486221.db2.gz BZGBFNWMYVYGLP-HZSPNIEDSA-N 2 2 297.399 -0.556 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084077804 806486223 /nfs/dbraw/zinc/48/62/23/806486223.db2.gz BZGBFNWMYVYGLP-HZSPNIEDSA-N 2 2 297.399 -0.556 20 30 CBEDLP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251181 806507529 /nfs/dbraw/zinc/50/75/29/806507529.db2.gz DSYUVRBCWBCZMO-RBSFLKMASA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251181 806507535 /nfs/dbraw/zinc/50/75/35/806507535.db2.gz DSYUVRBCWBCZMO-RBSFLKMASA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251181 806507541 /nfs/dbraw/zinc/50/75/41/806507541.db2.gz DSYUVRBCWBCZMO-RBSFLKMASA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251181 806507545 /nfs/dbraw/zinc/50/75/45/806507545.db2.gz DSYUVRBCWBCZMO-RBSFLKMASA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001028329187 799123487 /nfs/dbraw/zinc/12/34/87/799123487.db2.gz HXTPRLQEWRDBEI-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001028329187 799123489 /nfs/dbraw/zinc/12/34/89/799123489.db2.gz HXTPRLQEWRDBEI-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329187 799123493 /nfs/dbraw/zinc/12/34/93/799123493.db2.gz HXTPRLQEWRDBEI-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001032201408 799593995 /nfs/dbraw/zinc/59/39/95/799593995.db2.gz BTTKDYNUSWLDIK-CYBMUJFWSA-N 2 2 265.357 -0.612 20 30 CBEDLP C#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001032201408 799593998 /nfs/dbraw/zinc/59/39/98/799593998.db2.gz BTTKDYNUSWLDIK-CYBMUJFWSA-N 2 2 265.357 -0.612 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001032837219 799677348 /nfs/dbraw/zinc/67/73/48/799677348.db2.gz NQGNVQGTBFWEPG-MJBXVCDLSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001032837219 799677350 /nfs/dbraw/zinc/67/73/50/799677350.db2.gz NQGNVQGTBFWEPG-MJBXVCDLSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](C)O)C1 ZINC001032837219 799677351 /nfs/dbraw/zinc/67/73/51/799677351.db2.gz NQGNVQGTBFWEPG-MJBXVCDLSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](C)O)C1 ZINC001032837219 799677352 /nfs/dbraw/zinc/67/73/52/799677352.db2.gz NQGNVQGTBFWEPG-MJBXVCDLSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033180690 799724057 /nfs/dbraw/zinc/72/40/57/799724057.db2.gz AXFVFKPDMJKIIC-MGPQQGTHSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033180690 799724058 /nfs/dbraw/zinc/72/40/58/799724058.db2.gz AXFVFKPDMJKIIC-MGPQQGTHSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033180690 799724059 /nfs/dbraw/zinc/72/40/59/799724059.db2.gz AXFVFKPDMJKIIC-MGPQQGTHSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033180690 799724060 /nfs/dbraw/zinc/72/40/60/799724060.db2.gz AXFVFKPDMJKIIC-MGPQQGTHSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038142797 800062572 /nfs/dbraw/zinc/06/25/72/800062572.db2.gz QEXRRCCGSXSKLC-STQMWFEESA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038142797 800062579 /nfs/dbraw/zinc/06/25/79/800062579.db2.gz QEXRRCCGSXSKLC-STQMWFEESA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038142797 800062586 /nfs/dbraw/zinc/06/25/86/800062586.db2.gz QEXRRCCGSXSKLC-STQMWFEESA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038142797 800062594 /nfs/dbraw/zinc/06/25/94/800062594.db2.gz QEXRRCCGSXSKLC-STQMWFEESA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038142795 800064100 /nfs/dbraw/zinc/06/41/00/800064100.db2.gz QEXRRCCGSXSKLC-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038142795 800064108 /nfs/dbraw/zinc/06/41/08/800064108.db2.gz QEXRRCCGSXSKLC-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038142795 800064117 /nfs/dbraw/zinc/06/41/17/800064117.db2.gz QEXRRCCGSXSKLC-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038142795 800064123 /nfs/dbraw/zinc/06/41/23/800064123.db2.gz QEXRRCCGSXSKLC-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039039907 801283866 /nfs/dbraw/zinc/28/38/66/801283866.db2.gz QHUFULCYAPHIAS-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039039907 801283870 /nfs/dbraw/zinc/28/38/70/801283870.db2.gz QHUFULCYAPHIAS-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039039907 801283875 /nfs/dbraw/zinc/28/38/75/801283875.db2.gz QHUFULCYAPHIAS-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039039907 801283879 /nfs/dbraw/zinc/28/38/79/801283879.db2.gz QHUFULCYAPHIAS-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001039041610 801285099 /nfs/dbraw/zinc/28/50/99/801285099.db2.gz ZAOGDHPHXYYMBM-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001039041610 801285101 /nfs/dbraw/zinc/28/51/01/801285101.db2.gz ZAOGDHPHXYYMBM-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039041610 801285106 /nfs/dbraw/zinc/28/51/06/801285106.db2.gz ZAOGDHPHXYYMBM-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039041610 801285113 /nfs/dbraw/zinc/28/51/13/801285113.db2.gz ZAOGDHPHXYYMBM-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046218476 801741325 /nfs/dbraw/zinc/74/13/25/801741325.db2.gz JONUMTRLPCFNJD-JSGCOSHPSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046218476 801741327 /nfs/dbraw/zinc/74/13/27/801741327.db2.gz JONUMTRLPCFNJD-JSGCOSHPSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218476 801741332 /nfs/dbraw/zinc/74/13/32/801741332.db2.gz JONUMTRLPCFNJD-JSGCOSHPSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218476 801741336 /nfs/dbraw/zinc/74/13/36/801741336.db2.gz JONUMTRLPCFNJD-JSGCOSHPSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046848681 801797671 /nfs/dbraw/zinc/79/76/71/801797671.db2.gz AWLWGAYGZLKQJF-HIFRSBDPSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046848681 801797655 /nfs/dbraw/zinc/79/76/55/801797655.db2.gz AWLWGAYGZLKQJF-HIFRSBDPSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046848681 801797663 /nfs/dbraw/zinc/79/76/63/801797663.db2.gz AWLWGAYGZLKQJF-HIFRSBDPSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046848681 801797676 /nfs/dbraw/zinc/79/76/76/801797676.db2.gz AWLWGAYGZLKQJF-HIFRSBDPSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047322246 801833456 /nfs/dbraw/zinc/83/34/56/801833456.db2.gz NHMNVOUTWRQBLG-AVGNSLFASA-N 2 2 265.357 -0.783 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047322246 801833465 /nfs/dbraw/zinc/83/34/65/801833465.db2.gz NHMNVOUTWRQBLG-AVGNSLFASA-N 2 2 265.357 -0.783 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001047322246 801833473 /nfs/dbraw/zinc/83/34/73/801833473.db2.gz NHMNVOUTWRQBLG-AVGNSLFASA-N 2 2 265.357 -0.783 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001047322246 801833480 /nfs/dbraw/zinc/83/34/80/801833480.db2.gz NHMNVOUTWRQBLG-AVGNSLFASA-N 2 2 265.357 -0.783 20 30 CBEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047333660 801840172 /nfs/dbraw/zinc/84/01/72/801840172.db2.gz NSAQRQUYGHQMPI-MELADBBJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047333660 801840178 /nfs/dbraw/zinc/84/01/78/801840178.db2.gz NSAQRQUYGHQMPI-MELADBBJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001047333660 801840185 /nfs/dbraw/zinc/84/01/85/801840185.db2.gz NSAQRQUYGHQMPI-MELADBBJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001047333660 801840195 /nfs/dbraw/zinc/84/01/95/801840195.db2.gz NSAQRQUYGHQMPI-MELADBBJSA-N 2 2 297.399 -0.603 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001047380261 801858824 /nfs/dbraw/zinc/85/88/24/801858824.db2.gz GZPQXFSSVSPVJE-KKUMJFAQSA-N 2 2 293.411 -0.004 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047380261 801858832 /nfs/dbraw/zinc/85/88/32/801858832.db2.gz GZPQXFSSVSPVJE-KKUMJFAQSA-N 2 2 293.411 -0.004 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047380261 801858841 /nfs/dbraw/zinc/85/88/41/801858841.db2.gz GZPQXFSSVSPVJE-KKUMJFAQSA-N 2 2 293.411 -0.004 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047380261 801858847 /nfs/dbraw/zinc/85/88/47/801858847.db2.gz GZPQXFSSVSPVJE-KKUMJFAQSA-N 2 2 293.411 -0.004 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001047573354 801902306 /nfs/dbraw/zinc/90/23/06/801902306.db2.gz ZTRPKGLMAUJHOW-GJZGRUSLSA-N 2 2 293.411 -0.145 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001047573354 801902308 /nfs/dbraw/zinc/90/23/08/801902308.db2.gz ZTRPKGLMAUJHOW-GJZGRUSLSA-N 2 2 293.411 -0.145 20 30 CBEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047598176 801907643 /nfs/dbraw/zinc/90/76/43/801907643.db2.gz YUKRZUDVLXQJAU-KBPBESRZSA-N 2 2 290.367 -0.511 20 30 CBEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047598176 801907649 /nfs/dbraw/zinc/90/76/49/801907649.db2.gz YUKRZUDVLXQJAU-KBPBESRZSA-N 2 2 290.367 -0.511 20 30 CBEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052274963 802190821 /nfs/dbraw/zinc/19/08/21/802190821.db2.gz DQXXOHUZTKJVJX-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052274963 802190824 /nfs/dbraw/zinc/19/08/24/802190824.db2.gz DQXXOHUZTKJVJX-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052274963 802190827 /nfs/dbraw/zinc/19/08/27/802190827.db2.gz DQXXOHUZTKJVJX-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052274963 802190829 /nfs/dbraw/zinc/19/08/29/802190829.db2.gz DQXXOHUZTKJVJX-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052274962 802191581 /nfs/dbraw/zinc/19/15/81/802191581.db2.gz DQXXOHUZTKJVJX-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052274962 802191583 /nfs/dbraw/zinc/19/15/83/802191583.db2.gz DQXXOHUZTKJVJX-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052274962 802191591 /nfs/dbraw/zinc/19/15/91/802191591.db2.gz DQXXOHUZTKJVJX-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052274962 802191599 /nfs/dbraw/zinc/19/15/99/802191599.db2.gz DQXXOHUZTKJVJX-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149135117 814972383 /nfs/dbraw/zinc/97/23/83/814972383.db2.gz QVECNGMXUFZLSH-NSHDSACASA-N 2 2 291.355 -0.896 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149553948 814999292 /nfs/dbraw/zinc/99/92/92/814999292.db2.gz RVHKXPNNSMCJNO-UHFFFAOYSA-N 2 2 293.371 -0.639 20 30 CBEDLP C#CC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001325865355 804329011 /nfs/dbraw/zinc/32/90/11/804329011.db2.gz OPDJBVMLNSHYDF-HNNXBMFYSA-N 2 2 279.384 -0.342 20 30 CBEDLP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001325865355 804329017 /nfs/dbraw/zinc/32/90/17/804329017.db2.gz OPDJBVMLNSHYDF-HNNXBMFYSA-N 2 2 279.384 -0.342 20 30 CBEDLP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001325865357 804329056 /nfs/dbraw/zinc/32/90/56/804329056.db2.gz OPDJBVMLNSHYDF-OAHLLOKOSA-N 2 2 279.384 -0.342 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001325865357 804329066 /nfs/dbraw/zinc/32/90/66/804329066.db2.gz OPDJBVMLNSHYDF-OAHLLOKOSA-N 2 2 279.384 -0.342 20 30 CBEDLP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073562554 805387803 /nfs/dbraw/zinc/38/78/03/805387803.db2.gz XQKWLOGAOHAFAZ-ZIAGYGMSSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073562554 805387812 /nfs/dbraw/zinc/38/78/12/805387812.db2.gz XQKWLOGAOHAFAZ-ZIAGYGMSSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073562554 805387821 /nfs/dbraw/zinc/38/78/21/805387821.db2.gz XQKWLOGAOHAFAZ-ZIAGYGMSSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073562554 805387833 /nfs/dbraw/zinc/38/78/33/805387833.db2.gz XQKWLOGAOHAFAZ-ZIAGYGMSSA-N 2 2 295.383 -0.843 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001087529065 810295100 /nfs/dbraw/zinc/29/51/00/810295100.db2.gz ODVQMGMVWVRSCG-MJBXVCDLSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1CC ZINC001087529065 810295105 /nfs/dbraw/zinc/29/51/05/810295105.db2.gz ODVQMGMVWVRSCG-MJBXVCDLSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1CC ZINC001087529065 810295110 /nfs/dbraw/zinc/29/51/10/810295110.db2.gz ODVQMGMVWVRSCG-MJBXVCDLSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1CC ZINC001087529065 810295116 /nfs/dbraw/zinc/29/51/16/810295116.db2.gz ODVQMGMVWVRSCG-MJBXVCDLSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090431624 810499139 /nfs/dbraw/zinc/49/91/39/810499139.db2.gz AOCQSJYHCOOAIT-KGLIPLIRSA-N 2 2 290.367 -0.234 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001090431624 810499142 /nfs/dbraw/zinc/49/91/42/810499142.db2.gz AOCQSJYHCOOAIT-KGLIPLIRSA-N 2 2 290.367 -0.234 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728474 810555378 /nfs/dbraw/zinc/55/53/78/810555378.db2.gz SNSWPUSLCWMTNN-KGLIPLIRSA-N 2 2 290.367 -0.463 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728474 810555385 /nfs/dbraw/zinc/55/53/85/810555385.db2.gz SNSWPUSLCWMTNN-KGLIPLIRSA-N 2 2 290.367 -0.463 20 30 CBEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090762926 810563594 /nfs/dbraw/zinc/56/35/94/810563594.db2.gz COMWCPYHISQQGR-AAEUAGOBSA-N 2 2 278.356 -0.002 20 30 CBEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090762926 810563600 /nfs/dbraw/zinc/56/36/00/810563600.db2.gz COMWCPYHISQQGR-AAEUAGOBSA-N 2 2 278.356 -0.002 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763304 810563620 /nfs/dbraw/zinc/56/36/20/810563620.db2.gz FMKQEXXDFCHSLK-TZMCWYRMSA-N 2 2 290.367 -0.165 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763304 810563623 /nfs/dbraw/zinc/56/36/23/810563623.db2.gz FMKQEXXDFCHSLK-TZMCWYRMSA-N 2 2 290.367 -0.165 20 30 CBEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847122 810574295 /nfs/dbraw/zinc/57/42/95/810574295.db2.gz NTQPXDBXSONWCP-VXGBXAGGSA-N 2 2 264.329 -0.380 20 30 CBEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847122 810574297 /nfs/dbraw/zinc/57/42/97/810574297.db2.gz NTQPXDBXSONWCP-VXGBXAGGSA-N 2 2 264.329 -0.380 20 30 CBEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847121 810574622 /nfs/dbraw/zinc/57/46/22/810574622.db2.gz NTQPXDBXSONWCP-RYUDHWBXSA-N 2 2 264.329 -0.380 20 30 CBEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847121 810574626 /nfs/dbraw/zinc/57/46/26/810574626.db2.gz NTQPXDBXSONWCP-RYUDHWBXSA-N 2 2 264.329 -0.380 20 30 CBEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488267 810849058 /nfs/dbraw/zinc/84/90/58/810849058.db2.gz PGORIRALFKRYTJ-UHFFFAOYSA-N 2 2 290.367 -0.129 20 30 CBEDLP C#CC[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488267 810849065 /nfs/dbraw/zinc/84/90/65/810849065.db2.gz PGORIRALFKRYTJ-UHFFFAOYSA-N 2 2 290.367 -0.129 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099871795 810956356 /nfs/dbraw/zinc/95/63/56/810956356.db2.gz KHMFMVITLQHDEL-ZIAGYGMSSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099871795 810956363 /nfs/dbraw/zinc/95/63/63/810956363.db2.gz KHMFMVITLQHDEL-ZIAGYGMSSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099871795 810956369 /nfs/dbraw/zinc/95/63/69/810956369.db2.gz KHMFMVITLQHDEL-ZIAGYGMSSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099871795 810956373 /nfs/dbraw/zinc/95/63/73/810956373.db2.gz KHMFMVITLQHDEL-ZIAGYGMSSA-N 2 2 290.367 -0.083 20 30 CBEDLP N#CCNC(=O)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157256981 815415941 /nfs/dbraw/zinc/41/59/41/815415941.db2.gz NJXBXJJMJQOMOY-UHFFFAOYSA-N 2 2 292.343 -0.922 20 30 CBEDLP CC1(C#N)CN(C(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)C1 ZINC001157694048 815454726 /nfs/dbraw/zinc/45/47/26/815454726.db2.gz LPMBHFIPTJGWHK-LLVKDONJSA-N 2 2 265.361 -0.891 20 30 CBEDLP N#C[C@@H]1CNCCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001157982791 815494863 /nfs/dbraw/zinc/49/48/63/815494863.db2.gz RBKASWOMKYLLNK-OLZOCXBDSA-N 2 2 273.340 -0.417 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC001119319740 812753737 /nfs/dbraw/zinc/75/37/37/812753737.db2.gz FQWGYCLFEULANL-QWRGUYRKSA-N 2 2 269.345 -0.357 20 30 CBEDLP C#CC[NH2+]CC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC001121909566 813088903 /nfs/dbraw/zinc/08/89/03/813088903.db2.gz VLGGYBUQDYDBFA-UHFFFAOYSA-N 2 2 294.399 -0.684 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404097 813936374 /nfs/dbraw/zinc/93/63/74/813936374.db2.gz FWZXKEOOVXOQTJ-ZDUSSCGKSA-N 2 2 290.367 -0.199 20 30 CBEDLP C#CC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132780474 814189116 /nfs/dbraw/zinc/18/91/16/814189116.db2.gz ZMDSRPHBSKGWNM-CQSZACIVSA-N 2 2 279.384 -0.031 20 30 CBEDLP C#CC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132780474 814189121 /nfs/dbraw/zinc/18/91/21/814189121.db2.gz ZMDSRPHBSKGWNM-CQSZACIVSA-N 2 2 279.384 -0.031 20 30 CBEDLP C=CCOCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397848 814379811 /nfs/dbraw/zinc/37/98/11/814379811.db2.gz WFKCXLOFALIZPW-UHFFFAOYSA-N 2 2 252.318 -0.139 20 30 CBEDLP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001161139587 815720772 /nfs/dbraw/zinc/72/07/72/815720772.db2.gz YFLTYENAINBZTC-YOQJGNTNSA-N 2 2 252.293 -0.329 20 30 CBEDLP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001161138712 815720880 /nfs/dbraw/zinc/72/08/80/815720880.db2.gz DVACPTDYITYDIG-AJBSGBCOSA-N 2 2 252.293 -0.601 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001317449824 816984041 /nfs/dbraw/zinc/98/40/41/816984041.db2.gz IVLWUYDZSHRSSH-UHFFFAOYSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001317449824 816984044 /nfs/dbraw/zinc/98/40/44/816984044.db2.gz IVLWUYDZSHRSSH-UHFFFAOYSA-N 2 2 296.415 -0.179 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001317640648 817036956 /nfs/dbraw/zinc/03/69/56/817036956.db2.gz AZVCWGXZCKQPEL-LLVKDONJSA-N 2 2 291.355 -0.862 20 30 CBEDLP Cc1cnc(C#N)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071439 820205703 /nfs/dbraw/zinc/20/57/03/820205703.db2.gz DPYXGWLSOCNQIU-SECBINFHSA-N 2 2 258.285 -0.296 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169229155 820215027 /nfs/dbraw/zinc/21/50/27/820215027.db2.gz VARSCGSGRRAYST-LLVKDONJSA-N 2 2 291.355 -0.814 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001185253662 821111472 /nfs/dbraw/zinc/11/14/72/821111472.db2.gz XJLQQFJLKFMQJF-ZDUSSCGKSA-N 2 2 266.389 -0.438 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001185253662 821111475 /nfs/dbraw/zinc/11/14/75/821111475.db2.gz XJLQQFJLKFMQJF-ZDUSSCGKSA-N 2 2 266.389 -0.438 20 30 CBEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185919663 821144816 /nfs/dbraw/zinc/14/48/16/821144816.db2.gz YLTQSERGJWUYEH-GFCCVEGCSA-N 2 2 276.340 -0.208 20 30 CBEDLP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001283769507 828546190 /nfs/dbraw/zinc/54/61/90/828546190.db2.gz DQVMNUNBZBSJCU-RYUDHWBXSA-N 2 2 276.340 -0.855 20 30 CBEDLP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001283769506 828546243 /nfs/dbraw/zinc/54/62/43/828546243.db2.gz DQVMNUNBZBSJCU-NWDGAFQWSA-N 2 2 276.340 -0.855 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001284447416 828597052 /nfs/dbraw/zinc/59/70/52/828597052.db2.gz UMRIFWRMULGPJP-YPMHNXCESA-N 2 2 278.356 -0.370 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001284447416 828597055 /nfs/dbraw/zinc/59/70/55/828597055.db2.gz UMRIFWRMULGPJP-YPMHNXCESA-N 2 2 278.356 -0.370 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774075 824044770 /nfs/dbraw/zinc/04/47/70/824044770.db2.gz HBLBEERXXHVZQJ-CHWSQXEVSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774075 824044773 /nfs/dbraw/zinc/04/47/73/824044773.db2.gz HBLBEERXXHVZQJ-CHWSQXEVSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193745091 824044829 /nfs/dbraw/zinc/04/48/29/824044829.db2.gz CIQJASQMFGDVNM-VXGBXAGGSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193745091 824044832 /nfs/dbraw/zinc/04/48/32/824044832.db2.gz CIQJASQMFGDVNM-VXGBXAGGSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196115818 824148497 /nfs/dbraw/zinc/14/84/97/824148497.db2.gz SHPHBKMRCIRPLV-HZSPNIEDSA-N 2 2 281.400 -0.099 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196115818 824148501 /nfs/dbraw/zinc/14/85/01/824148501.db2.gz SHPHBKMRCIRPLV-HZSPNIEDSA-N 2 2 281.400 -0.099 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196920220 824172230 /nfs/dbraw/zinc/17/22/30/824172230.db2.gz UETOOERUPQPYMQ-ZIAGYGMSSA-N 2 2 290.367 -0.234 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196920220 824172234 /nfs/dbraw/zinc/17/22/34/824172234.db2.gz UETOOERUPQPYMQ-ZIAGYGMSSA-N 2 2 290.367 -0.234 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198285442 824223799 /nfs/dbraw/zinc/22/37/99/824223799.db2.gz KPYRKNQZGLPMSI-CHWSQXEVSA-N 2 2 278.356 -0.300 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198285442 824223804 /nfs/dbraw/zinc/22/38/04/824223804.db2.gz KPYRKNQZGLPMSI-CHWSQXEVSA-N 2 2 278.356 -0.300 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213718947 824514935 /nfs/dbraw/zinc/51/49/35/824514935.db2.gz HLOJXYPBNKUQCB-CHWSQXEVSA-N 2 2 283.372 -0.987 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213718947 824514939 /nfs/dbraw/zinc/51/49/39/824514939.db2.gz HLOJXYPBNKUQCB-CHWSQXEVSA-N 2 2 283.372 -0.987 20 30 CBEDLP N#Cc1c(NC(=O)[C@@H]([NH3+])CC[NH3+])sc2c1CC[NH2+]C2 ZINC001218555278 824590530 /nfs/dbraw/zinc/59/05/30/824590530.db2.gz ZJNPRNHTSGIRGM-VIFPVBQESA-N 3 2 279.369 -0.120 20 30 CBEDLP C#C[C@](C)([NH3+])C(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001218571873 824595918 /nfs/dbraw/zinc/59/59/18/824595918.db2.gz BYOBZBNKZWETJV-AWEZNQCLSA-N 2 2 288.355 -0.483 20 30 CBEDLP C#CCCCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219634089 824868948 /nfs/dbraw/zinc/86/89/48/824868948.db2.gz NEJIGFAZCWEWHL-GFCCVEGCSA-N 2 2 252.362 -0.734 20 30 CBEDLP C=C(C)C(=O)NCCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220043260 824942686 /nfs/dbraw/zinc/94/26/86/824942686.db2.gz LHIADNOFIMTBAP-GYSYKLTISA-N 2 2 280.372 -0.593 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220375828 825023825 /nfs/dbraw/zinc/02/38/25/825023825.db2.gz GMHAMLGZMDWTHJ-WOPDTQHZSA-N 2 2 253.346 -0.879 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220375828 825023834 /nfs/dbraw/zinc/02/38/34/825023834.db2.gz GMHAMLGZMDWTHJ-WOPDTQHZSA-N 2 2 253.346 -0.879 20 30 CBEDLP C=C[C@H]1C[C@@]1(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)OCC ZINC001220571299 825065142 /nfs/dbraw/zinc/06/51/42/825065142.db2.gz OCQXSPPQDQLFKD-WJZNIJOASA-N 2 2 267.329 -0.700 20 30 CBEDLP C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C(=O)OCC ZINC001220571245 825065870 /nfs/dbraw/zinc/06/58/70/825065870.db2.gz MOZMMNUQOIJNSK-NQUGEPOWSA-N 2 2 293.367 -0.440 20 30 CBEDLP C=C[C@H]1C[C@]1(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001220571679 825066019 /nfs/dbraw/zinc/06/60/19/825066019.db2.gz XCUFXVPBNHDCGH-NURSFMCSSA-N 2 2 292.339 -0.097 20 30 CBEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O ZINC001220578697 825069473 /nfs/dbraw/zinc/06/94/73/825069473.db2.gz ODTCTLUUYDDSIL-KGLIPLIRSA-N 2 2 297.399 -0.861 20 30 CBEDLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220578697 825069475 /nfs/dbraw/zinc/06/94/75/825069475.db2.gz ODTCTLUUYDDSIL-KGLIPLIRSA-N 2 2 297.399 -0.861 20 30 CBEDLP CC(C)C[C@H](C#N)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220700831 825087401 /nfs/dbraw/zinc/08/74/01/825087401.db2.gz PFQYATROXANUHM-LOWVWBTDSA-N 2 2 250.346 -0.008 20 30 CBEDLP N#Cc1cnc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)s1 ZINC001220871868 825116477 /nfs/dbraw/zinc/11/64/77/825116477.db2.gz ARJKJCPGMUFQEK-SECBINFHSA-N 2 2 276.325 -0.076 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093511 825143339 /nfs/dbraw/zinc/14/33/39/825143339.db2.gz PEVRSGBDJMVJJG-NEPJUHHUSA-N 2 2 253.346 -0.879 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093511 825143341 /nfs/dbraw/zinc/14/33/41/825143341.db2.gz PEVRSGBDJMVJJG-NEPJUHHUSA-N 2 2 253.346 -0.879 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093511 825143344 /nfs/dbraw/zinc/14/33/44/825143344.db2.gz PEVRSGBDJMVJJG-NEPJUHHUSA-N 2 2 253.346 -0.879 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093511 825143346 /nfs/dbraw/zinc/14/33/46/825143346.db2.gz PEVRSGBDJMVJJG-NEPJUHHUSA-N 2 2 253.346 -0.879 20 30 CBEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093484 825143451 /nfs/dbraw/zinc/14/34/51/825143451.db2.gz OKLIVUOQQSBZGX-KGLIPLIRSA-N 2 2 297.399 -0.862 20 30 CBEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221093484 825143455 /nfs/dbraw/zinc/14/34/55/825143455.db2.gz OKLIVUOQQSBZGX-KGLIPLIRSA-N 2 2 297.399 -0.862 20 30 CBEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093484 825143458 /nfs/dbraw/zinc/14/34/58/825143458.db2.gz OKLIVUOQQSBZGX-KGLIPLIRSA-N 2 2 297.399 -0.862 20 30 CBEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221093484 825143461 /nfs/dbraw/zinc/14/34/61/825143461.db2.gz OKLIVUOQQSBZGX-KGLIPLIRSA-N 2 2 297.399 -0.862 20 30 CBEDLP N#Cc1ccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)cn1 ZINC001221088964 825143994 /nfs/dbraw/zinc/14/39/94/825143994.db2.gz AXLQBLJZJOMVIA-UHFFFAOYSA-N 2 2 259.313 -0.350 20 30 CBEDLP C#CCOC[C@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001251906593 825807975 /nfs/dbraw/zinc/80/79/75/825807975.db2.gz HUGLYZIFAONXNC-GFCCVEGCSA-N 2 2 256.346 -0.957 20 30 CBEDLP C=C[C@](C)(O)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001252555160 825875186 /nfs/dbraw/zinc/87/51/86/825875186.db2.gz PWOACVCWHFGHLU-HNNXBMFYSA-N 2 2 283.416 -0.127 20 30 CBEDLP C[C@@H]1C[N@H+](CCNC(=O)NCC#CC[NH+](C)C)[C@@H](C)CO1 ZINC001256584911 826027636 /nfs/dbraw/zinc/02/76/36/826027636.db2.gz KQUZHNKCYXRBEI-UONOGXRCSA-N 2 2 296.415 -0.040 20 30 CBEDLP C[C@@H]1C[N@@H+](CCNC(=O)NCC#CC[NH+](C)C)[C@@H](C)CO1 ZINC001256584911 826027642 /nfs/dbraw/zinc/02/76/42/826027642.db2.gz KQUZHNKCYXRBEI-UONOGXRCSA-N 2 2 296.415 -0.040 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266996703 827105573 /nfs/dbraw/zinc/10/55/73/827105573.db2.gz SRJYGNNIYRNMAL-NEPJUHHUSA-N 2 2 293.371 -0.332 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266996706 827105691 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C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001271159639 827671007 /nfs/dbraw/zinc/67/10/07/827671007.db2.gz LAAKJHDKIBYEDU-GOEBONIOSA-N 2 2 289.379 -0.730 20 30 CBEDLP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001271159639 827671010 /nfs/dbraw/zinc/67/10/10/827671010.db2.gz LAAKJHDKIBYEDU-GOEBONIOSA-N 2 2 289.379 -0.730 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC#C)C1 ZINC001271159639 827671012 /nfs/dbraw/zinc/67/10/12/827671012.db2.gz LAAKJHDKIBYEDU-GOEBONIOSA-N 2 2 289.379 -0.730 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC#C)C1 ZINC001271159639 827671013 /nfs/dbraw/zinc/67/10/13/827671013.db2.gz LAAKJHDKIBYEDU-GOEBONIOSA-N 2 2 289.379 -0.730 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001272451021 827800699 /nfs/dbraw/zinc/80/06/99/827800699.db2.gz DKVZCHKXFDSSKT-RYUDHWBXSA-N 2 2 278.356 -0.302 20 30 CBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001272451017 827801569 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CBEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278781643 828287637 /nfs/dbraw/zinc/28/76/37/828287637.db2.gz MKGSGLJEINZGCR-HNNXBMFYSA-N 2 2 290.367 -0.081 20 30 CBEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278781643 828287641 /nfs/dbraw/zinc/28/76/41/828287641.db2.gz MKGSGLJEINZGCR-HNNXBMFYSA-N 2 2 290.367 -0.081 20 30 CBEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001278781644 828287685 /nfs/dbraw/zinc/28/76/85/828287685.db2.gz MKGSGLJEINZGCR-OAHLLOKOSA-N 2 2 290.367 -0.081 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001278781644 828287691 /nfs/dbraw/zinc/28/76/91/828287691.db2.gz MKGSGLJEINZGCR-OAHLLOKOSA-N 2 2 290.367 -0.081 20 30 CBEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278781644 828287695 /nfs/dbraw/zinc/28/76/95/828287695.db2.gz MKGSGLJEINZGCR-OAHLLOKOSA-N 2 2 290.367 -0.081 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278781644 828287699 /nfs/dbraw/zinc/28/76/99/828287699.db2.gz MKGSGLJEINZGCR-OAHLLOKOSA-N 2 2 290.367 -0.081 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001278809831 828291360 /nfs/dbraw/zinc/29/13/60/828291360.db2.gz IMOZJMJPQXECSW-CHWSQXEVSA-N 2 2 278.356 -0.124 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001278827997 828293020 /nfs/dbraw/zinc/29/30/20/828293020.db2.gz SAVXROFFMWOTDF-GFCCVEGCSA-N 2 2 278.356 -0.307 20 30 CBEDLP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001278931585 828310959 /nfs/dbraw/zinc/31/09/59/828310959.db2.gz DRQPGIJJLBUCED-CYBMUJFWSA-N 2 2 297.399 -0.554 20 30 CBEDLP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001278931585 828310968 /nfs/dbraw/zinc/31/09/68/828310968.db2.gz DRQPGIJJLBUCED-CYBMUJFWSA-N 2 2 297.399 -0.554 20 30 CBEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001278932093 828311670 /nfs/dbraw/zinc/31/16/70/828311670.db2.gz MMZXLMABDHTXAP-LBPRGKRZSA-N 2 2 267.373 -0.323 20 30 CBEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001278932093 828311678 /nfs/dbraw/zinc/31/16/78/828311678.db2.gz MMZXLMABDHTXAP-LBPRGKRZSA-N 2 2 267.373 -0.323 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128972978 884668898 /nfs/dbraw/zinc/66/88/98/884668898.db2.gz PVRFTUFNPPYXCB-LLVKDONJSA-N 2 2 291.355 -0.814 20 30 CBEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001327021308 885224942 /nfs/dbraw/zinc/22/49/42/885224942.db2.gz XLYQBWOTSGHMJX-CYBMUJFWSA-N 2 2 276.340 -0.277 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001332547639 887347582 /nfs/dbraw/zinc/34/75/82/887347582.db2.gz RJIFSKPIUCHOPI-GFCCVEGCSA-N 2 2 278.356 -0.605 20 30 CBEDLP C#C[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)[C@@H]1CCCO1 ZINC001335509112 888551434 /nfs/dbraw/zinc/55/14/34/888551434.db2.gz JKXIRRSJYQTHAH-KGLIPLIRSA-N 2 2 294.399 -0.111 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001338503510 889166852 /nfs/dbraw/zinc/16/68/52/889166852.db2.gz BEGXCSPVUMSVED-GJZGRUSLSA-N 2 2 282.384 -0.424 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001338491323 889167472 /nfs/dbraw/zinc/16/74/72/889167472.db2.gz HIZXIZYHQSKSOH-STQMWFEESA-N 2 2 266.389 -0.650 20 30 CBEDLP C#CCNC(=O)CC[NH2+][C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001338491323 889167480 /nfs/dbraw/zinc/16/74/80/889167480.db2.gz HIZXIZYHQSKSOH-STQMWFEESA-N 2 2 266.389 -0.650 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001338503511 889171052 /nfs/dbraw/zinc/17/10/52/889171052.db2.gz BEGXCSPVUMSVED-HUUCEWRRSA-N 2 2 282.384 -0.424 20 30 CBEDLP C=CCCC[C@H]([NH3+])C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001342199473 889728914 /nfs/dbraw/zinc/72/89/14/889728914.db2.gz LTMOKESQAVGCFQ-KGLIPLIRSA-N 2 2 299.415 -0.179 20 30 CBEDLP C=CCCC[C@H]([NH3+])C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001342199471 889730451 /nfs/dbraw/zinc/73/04/51/889730451.db2.gz LTMOKESQAVGCFQ-KBPBESRZSA-N 2 2 299.415 -0.179 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001343421854 889906291 /nfs/dbraw/zinc/90/62/91/889906291.db2.gz SCDKUYXODRJTCW-QWHCGFSZSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[NH2+]CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001343451234 889912019 /nfs/dbraw/zinc/91/20/19/889912019.db2.gz BYYRQXOJFUZLTP-UHFFFAOYSA-N 3 2 287.367 -0.005 20 30 CBEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001343490166 889922740 /nfs/dbraw/zinc/92/27/40/889922740.db2.gz MLZCSYFLFCLMHN-RYUDHWBXSA-N 2 2 255.362 -0.195 20 30 CBEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001343490166 889922751 /nfs/dbraw/zinc/92/27/51/889922751.db2.gz MLZCSYFLFCLMHN-RYUDHWBXSA-N 2 2 255.362 -0.195 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC001353069002 891355394 /nfs/dbraw/zinc/35/53/94/891355394.db2.gz SQULAQOZOOPPIX-JQWIXIFHSA-N 2 2 283.372 -0.063 20 30 CBEDLP C#CCNC(=O)CC[NH2+]CC1([NH+](C)C)CCOCC1 ZINC001353298553 891395824 /nfs/dbraw/zinc/39/58/24/891395824.db2.gz UTDKDAXJOTWRIX-UHFFFAOYSA-N 2 2 267.373 -0.174 20 30 CBEDLP C#CC[NH2+]CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001357404903 891886750 /nfs/dbraw/zinc/88/67/50/891886750.db2.gz PUXWKFBTBHWWOF-CYBMUJFWSA-N 2 2 278.400 -0.506 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505721209 921471913 /nfs/dbraw/zinc/47/19/13/921471913.db2.gz SCRNYSVFKYJXRZ-MNOVXSKESA-N 2 2 291.355 -0.816 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001505937331 921505706 /nfs/dbraw/zinc/50/57/06/921505706.db2.gz BYASUXUQBYJRBQ-NEPJUHHUSA-N 2 2 280.372 -0.994 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001505937331 921505720 /nfs/dbraw/zinc/50/57/20/921505720.db2.gz BYASUXUQBYJRBQ-NEPJUHHUSA-N 2 2 280.372 -0.994 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001505937331 921505730 /nfs/dbraw/zinc/50/57/30/921505730.db2.gz BYASUXUQBYJRBQ-NEPJUHHUSA-N 2 2 280.372 -0.994 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001505937331 921505740 /nfs/dbraw/zinc/50/57/40/921505740.db2.gz BYASUXUQBYJRBQ-NEPJUHHUSA-N 2 2 280.372 -0.994 20 30 CBEDLP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001507211233 921743868 /nfs/dbraw/zinc/74/38/68/921743868.db2.gz JYYBILDXYVSDDH-RYUDHWBXSA-N 2 2 276.340 -0.855 20 30 CBEDLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC(=O)NCC#N ZINC001480511635 916443194 /nfs/dbraw/zinc/44/31/94/916443194.db2.gz LZOFESDEFBVVSS-NSHDSACASA-N 2 2 292.343 -0.993 20 30 CBEDLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NCC#N ZINC001480799134 916545139 /nfs/dbraw/zinc/54/51/39/916545139.db2.gz QMEQLNJXHSFLKX-JTQLQIEISA-N 2 2 292.343 -0.924 20 30 CBEDLP C#CCNC(=O)C[NH2+]CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001481263570 916795063 /nfs/dbraw/zinc/79/50/63/916795063.db2.gz PSLPJKBQWZAQKG-UHFFFAOYSA-N 2 2 291.355 -0.929 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1 ZINC001481886069 917015561 /nfs/dbraw/zinc/01/55/61/917015561.db2.gz ZGFKQOGUGFKQGZ-LBPRGKRZSA-N 2 2 291.355 -0.883 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001482782462 917280495 /nfs/dbraw/zinc/28/04/95/917280495.db2.gz PSEZJYPSFHBLFO-JTQLQIEISA-N 2 2 250.302 -0.958 20 30 CBEDLP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001483188766 917458651 /nfs/dbraw/zinc/45/86/51/917458651.db2.gz VMGQECYZQAJHLW-SNVBAGLBSA-N 2 2 291.355 -0.896 20 30 CBEDLP COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001483694401 917640819 /nfs/dbraw/zinc/64/08/19/917640819.db2.gz LYKQLMSQMGBPLK-CQSZACIVSA-N 2 2 291.395 -0.078 20 30 CBEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001483694401 917640832 /nfs/dbraw/zinc/64/08/32/917640832.db2.gz LYKQLMSQMGBPLK-CQSZACIVSA-N 2 2 291.395 -0.078 20 30 CBEDLP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCO)CC1 ZINC001483988435 917716921 /nfs/dbraw/zinc/71/69/21/917716921.db2.gz BBYAWGFIWLZRPK-UHFFFAOYSA-N 2 2 290.367 -0.129 20 30 CBEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001484242389 917786379 /nfs/dbraw/zinc/78/63/79/917786379.db2.gz YVVSEGNTEQYVAM-AWEZNQCLSA-N 2 2 276.340 -0.472 20 30 CBEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001484242389 917786391 /nfs/dbraw/zinc/78/63/91/917786391.db2.gz YVVSEGNTEQYVAM-AWEZNQCLSA-N 2 2 276.340 -0.472 20 30 CBEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484293190 917818864 /nfs/dbraw/zinc/81/88/64/917818864.db2.gz BBTDMCHZKPOUNB-UHFFFAOYSA-N 2 2 255.362 -0.323 20 30 CBEDLP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001484861290 917950232 /nfs/dbraw/zinc/95/02/32/917950232.db2.gz NDPYEPXBEGXXNQ-ZDUSSCGKSA-N 2 2 297.399 -0.242 20 30 CBEDLP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001484861290 917950242 /nfs/dbraw/zinc/95/02/42/917950242.db2.gz NDPYEPXBEGXXNQ-ZDUSSCGKSA-N 2 2 297.399 -0.242 20 30 CBEDLP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001486042175 918338806 /nfs/dbraw/zinc/33/88/06/918338806.db2.gz FWKGCEURIGFMIS-JQWIXIFHSA-N 2 2 266.345 -0.159 20 30 CBEDLP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001486042175 918338825 /nfs/dbraw/zinc/33/88/25/918338825.db2.gz FWKGCEURIGFMIS-JQWIXIFHSA-N 2 2 266.345 -0.159 20 30 CBEDLP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001486359713 918450769 /nfs/dbraw/zinc/45/07/69/918450769.db2.gz BYVISLYSEXEZJG-LBPRGKRZSA-N 2 2 266.345 -0.180 20 30 CBEDLP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001486359713 918450778 /nfs/dbraw/zinc/45/07/78/918450778.db2.gz BYVISLYSEXEZJG-LBPRGKRZSA-N 2 2 266.345 -0.180 20 30 CBEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1OCC ZINC001489022277 918784373 /nfs/dbraw/zinc/78/43/73/918784373.db2.gz FZNWPZOBSCJRHC-ZIAGYGMSSA-N 2 2 290.367 -0.031 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001491591288 919219579 /nfs/dbraw/zinc/21/95/79/919219579.db2.gz VANRTPMHSLEUTH-JTQLQIEISA-N 2 2 279.344 -0.651 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001497013444 920208808 /nfs/dbraw/zinc/20/88/08/920208808.db2.gz XZTYTHIHEYDVBI-WCQYABFASA-N 2 2 278.356 -0.302 20 30 CBEDLP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001498952750 920666541 /nfs/dbraw/zinc/66/65/41/920666541.db2.gz OSXXATABOCAFGD-KGLIPLIRSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001498952750 920666552 /nfs/dbraw/zinc/66/65/52/920666552.db2.gz OSXXATABOCAFGD-KGLIPLIRSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001498952750 920666562 /nfs/dbraw/zinc/66/65/62/920666562.db2.gz OSXXATABOCAFGD-KGLIPLIRSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001498952750 920666572 /nfs/dbraw/zinc/66/65/72/920666572.db2.gz OSXXATABOCAFGD-KGLIPLIRSA-N 2 2 297.399 -0.290 20 30 CBEDLP C#CC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001500269248 920821847 /nfs/dbraw/zinc/82/18/47/920821847.db2.gz QQMARPASFCJJCQ-OAHLLOKOSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001500269248 920821863 /nfs/dbraw/zinc/82/18/63/920821863.db2.gz QQMARPASFCJJCQ-OAHLLOKOSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001507715244 921893222 /nfs/dbraw/zinc/89/32/22/921893222.db2.gz NRUANVLRUMBVGX-GFCCVEGCSA-N 2 2 278.356 -0.273 20 30 CBEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001507715244 921893237 /nfs/dbraw/zinc/89/32/37/921893237.db2.gz NRUANVLRUMBVGX-GFCCVEGCSA-N 2 2 278.356 -0.273 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC001521940033 922390091 /nfs/dbraw/zinc/39/00/91/922390091.db2.gz QMTVFUFYJUFNKL-RYUDHWBXSA-N 2 2 253.346 -0.565 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC001521940033 922390108 /nfs/dbraw/zinc/39/01/08/922390108.db2.gz QMTVFUFYJUFNKL-RYUDHWBXSA-N 2 2 253.346 -0.565 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C(C)C)CC1 ZINC000156346356 351952358 /nfs/dbraw/zinc/95/23/58/351952358.db2.gz PZYYOGJZLDPYBO-CYBMUJFWSA-N 2 2 267.373 -0.630 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000173640784 352039717 /nfs/dbraw/zinc/03/97/17/352039717.db2.gz HXABQYAPLKYXHM-GFCCVEGCSA-N 2 2 267.373 -0.175 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000173640775 352039777 /nfs/dbraw/zinc/03/97/77/352039777.db2.gz HXABQYAPLKYXHM-LBPRGKRZSA-N 2 2 267.373 -0.175 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642957 353604201 /nfs/dbraw/zinc/60/42/01/353604201.db2.gz DJMMWDFFBJFMKE-UHFFFAOYSA-N 2 2 298.387 -0.613 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642957 353604205 /nfs/dbraw/zinc/60/42/05/353604205.db2.gz DJMMWDFFBJFMKE-UHFFFAOYSA-N 2 2 298.387 -0.613 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359289009 353653128 /nfs/dbraw/zinc/65/31/28/353653128.db2.gz PMTOGJMFZPULKQ-DCAQKATOSA-N 2 2 266.345 -0.462 20 30 CBEDLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143820 354211892 /nfs/dbraw/zinc/21/18/92/354211892.db2.gz GIFPVQRWUUYEER-RYUDHWBXSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143820 354211896 /nfs/dbraw/zinc/21/18/96/354211896.db2.gz GIFPVQRWUUYEER-RYUDHWBXSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143818 354212502 /nfs/dbraw/zinc/21/25/02/354212502.db2.gz GIFPVQRWUUYEER-NEPJUHHUSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424143818 354212504 /nfs/dbraw/zinc/21/25/04/354212504.db2.gz GIFPVQRWUUYEER-NEPJUHHUSA-N 2 2 268.361 -0.156 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(CCO)CC2)CC1 ZINC000490779861 354446643 /nfs/dbraw/zinc/44/66/43/354446643.db2.gz BHQHEYYVGSCMKM-UHFFFAOYSA-N 2 2 293.411 -0.142 20 30 CBEDLP C=CCN1CC[C@H]([N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000519426530 354561906 /nfs/dbraw/zinc/56/19/06/354561906.db2.gz LJKXCRJPULGDOF-TUAOUCFPSA-N 2 2 278.356 -0.983 20 30 CBEDLP C[N@H+](CCC#N)C[C@H](O)CN[C@H](CO)C[NH+]1CCCCC1 ZINC000520407406 354566913 /nfs/dbraw/zinc/56/69/13/354566913.db2.gz BDDFKGRTJXMHOS-LSDHHAIUSA-N 2 2 298.431 -0.371 20 30 CBEDLP C[N@@H+](CCC#N)C[C@H](O)CN[C@H](CO)C[NH+]1CCCCC1 ZINC000520407406 354566915 /nfs/dbraw/zinc/56/69/15/354566915.db2.gz BDDFKGRTJXMHOS-LSDHHAIUSA-N 2 2 298.431 -0.371 20 30 CBEDLP C[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C[NH+]1CCOCC1 ZINC000567605928 354791829 /nfs/dbraw/zinc/79/18/29/354791829.db2.gz LJMQLBQGQNOYJQ-GJZGRUSLSA-N 2 2 298.431 -0.249 20 30 CBEDLP C[N@H+](CCC#N)C[C@@H](O)CN[C@H](CO)C[NH+]1CCCC1 ZINC000570966267 354874960 /nfs/dbraw/zinc/87/49/60/354874960.db2.gz RTGBYBYDEUUHTA-KBPBESRZSA-N 2 2 284.404 -0.761 20 30 CBEDLP C[N@@H+](CCC#N)C[C@@H](O)CN[C@H](CO)C[NH+]1CCCC1 ZINC000570966267 354874962 /nfs/dbraw/zinc/87/49/62/354874962.db2.gz RTGBYBYDEUUHTA-KBPBESRZSA-N 2 2 284.404 -0.761 20 30 CBEDLP N#CCC[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000591740100 355112378 /nfs/dbraw/zinc/11/23/78/355112378.db2.gz HMDARQJCHKJADT-ZDUSSCGKSA-N 2 2 252.362 -0.104 20 30 CBEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(=O)NCC#N ZINC000591767385 355112967 /nfs/dbraw/zinc/11/29/67/355112967.db2.gz FZGCKVVRFZVOJW-CQSZACIVSA-N 2 2 290.367 -0.291 20 30 CBEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(=O)NCC#N ZINC000591767385 355112969 /nfs/dbraw/zinc/11/29/69/355112969.db2.gz FZGCKVVRFZVOJW-CQSZACIVSA-N 2 2 290.367 -0.291 20 30 CBEDLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000592153818 355134395 /nfs/dbraw/zinc/13/43/95/355134395.db2.gz PCRYUAHQKBOFFG-OLZOCXBDSA-N 2 2 253.346 -0.208 20 30 CBEDLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000592153818 355134397 /nfs/dbraw/zinc/13/43/97/355134397.db2.gz PCRYUAHQKBOFFG-OLZOCXBDSA-N 2 2 253.346 -0.208 20 30 CBEDLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000592153818 355134402 /nfs/dbraw/zinc/13/44/02/355134402.db2.gz PCRYUAHQKBOFFG-OLZOCXBDSA-N 2 2 253.346 -0.208 20 30 CBEDLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000592153818 355134407 /nfs/dbraw/zinc/13/44/07/355134407.db2.gz PCRYUAHQKBOFFG-OLZOCXBDSA-N 2 2 253.346 -0.208 20 30 CBEDLP C[N@H+](C[C@H](O)C[NH+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000592153819 355135066 /nfs/dbraw/zinc/13/50/66/355135066.db2.gz PCRYUAHQKBOFFG-QWHCGFSZSA-N 2 2 253.346 -0.208 20 30 CBEDLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000592153819 355135070 /nfs/dbraw/zinc/13/50/70/355135070.db2.gz PCRYUAHQKBOFFG-QWHCGFSZSA-N 2 2 253.346 -0.208 20 30 CBEDLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000592153819 355135072 /nfs/dbraw/zinc/13/50/72/355135072.db2.gz PCRYUAHQKBOFFG-QWHCGFSZSA-N 2 2 253.346 -0.208 20 30 CBEDLP C[NH+](C[C@H](O)C[N@H+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000592153819 355135074 /nfs/dbraw/zinc/13/50/74/355135074.db2.gz PCRYUAHQKBOFFG-QWHCGFSZSA-N 2 2 253.346 -0.208 20 30 CBEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(CC#N)C1 ZINC000594015808 355234880 /nfs/dbraw/zinc/23/48/80/355234880.db2.gz QLEBIBZDULGPRP-QWHCGFSZSA-N 2 2 271.361 -0.724 20 30 CBEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(CC#N)C1 ZINC000594015808 355234883 /nfs/dbraw/zinc/23/48/83/355234883.db2.gz QLEBIBZDULGPRP-QWHCGFSZSA-N 2 2 271.361 -0.724 20 30 CBEDLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000594015808 355234888 /nfs/dbraw/zinc/23/48/88/355234888.db2.gz QLEBIBZDULGPRP-QWHCGFSZSA-N 2 2 271.361 -0.724 20 30 CBEDLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000594015808 355234890 /nfs/dbraw/zinc/23/48/90/355234890.db2.gz QLEBIBZDULGPRP-QWHCGFSZSA-N 2 2 271.361 -0.724 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000593737180 355217628 /nfs/dbraw/zinc/21/76/28/355217628.db2.gz SBUCEFGJXFIMIK-IJLUTSLNSA-N 2 2 298.387 -0.318 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000593737180 355217633 /nfs/dbraw/zinc/21/76/33/355217633.db2.gz SBUCEFGJXFIMIK-IJLUTSLNSA-N 2 2 298.387 -0.318 20 30 CBEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594874180 355266259 /nfs/dbraw/zinc/26/62/59/355266259.db2.gz MJZUBNJMKCQWBU-CHWSQXEVSA-N 2 2 292.383 -0.569 20 30 CBEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594874180 355266264 /nfs/dbraw/zinc/26/62/64/355266264.db2.gz MJZUBNJMKCQWBU-CHWSQXEVSA-N 2 2 292.383 -0.569 20 30 CBEDLP CC[N@H+](CCO)CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600746275 355564721 /nfs/dbraw/zinc/56/47/21/355564721.db2.gz VXXKXMPBYGBRBX-AWEZNQCLSA-N 2 2 299.415 -0.038 20 30 CBEDLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600746275 355564724 /nfs/dbraw/zinc/56/47/24/355564724.db2.gz VXXKXMPBYGBRBX-AWEZNQCLSA-N 2 2 299.415 -0.038 20 30 CBEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602526873 355657289 /nfs/dbraw/zinc/65/72/89/355657289.db2.gz HLHFMHADRPOQEL-UHFFFAOYSA-N 2 2 273.340 -0.183 20 30 CBEDLP C[C@H]1C[NH+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)N1CC#N ZINC000602856797 355676637 /nfs/dbraw/zinc/67/66/37/355676637.db2.gz NPPMRAIZSOJLTQ-KBPBESRZSA-N 2 2 293.415 -0.321 20 30 CBEDLP C=C(C)[C@@H](CO)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051149 357632994 /nfs/dbraw/zinc/63/29/94/357632994.db2.gz JILHIUMBAVGRLL-GFCCVEGCSA-N 2 2 255.362 -0.371 20 30 CBEDLP C=C(C)[C@@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051149 357632998 /nfs/dbraw/zinc/63/29/98/357632998.db2.gz JILHIUMBAVGRLL-GFCCVEGCSA-N 2 2 255.362 -0.371 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](COC)C2CC2)CC1 ZINC000490933879 261253125 /nfs/dbraw/zinc/25/31/25/261253125.db2.gz GSMGSMGBWMVRNL-AWEZNQCLSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2CCCO2)CC1 ZINC000490975798 261274865 /nfs/dbraw/zinc/27/48/65/261274865.db2.gz VSILQDYHMIDWGX-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000490975798 261274867 /nfs/dbraw/zinc/27/48/67/261274867.db2.gz VSILQDYHMIDWGX-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245919186 372883808 /nfs/dbraw/zinc/88/38/08/372883808.db2.gz LZSFQZMQWHXWGR-HUUCEWRRSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245919186 372883816 /nfs/dbraw/zinc/88/38/16/372883816.db2.gz LZSFQZMQWHXWGR-HUUCEWRRSA-N 2 2 292.427 -0.164 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530170 220192661 /nfs/dbraw/zinc/19/26/61/220192661.db2.gz OCSJWGZMUYNMHY-JTQLQIEISA-N 2 2 254.334 -0.331 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530170 220192664 /nfs/dbraw/zinc/19/26/64/220192664.db2.gz OCSJWGZMUYNMHY-JTQLQIEISA-N 2 2 254.334 -0.331 20 30 CBEDLP C[NH+]=C(NCCn1cccc1)NC[C@H]1C[N@H+](C)CCO1 ZINC000153205528 220214565 /nfs/dbraw/zinc/21/45/65/220214565.db2.gz AYWFQIYWOYUQON-ZDUSSCGKSA-N 2 2 279.388 -0.016 20 30 CBEDLP C[NH+]=C(NCCn1cccc1)NC[C@H]1C[N@@H+](C)CCO1 ZINC000153205528 220214569 /nfs/dbraw/zinc/21/45/69/220214569.db2.gz AYWFQIYWOYUQON-ZDUSSCGKSA-N 2 2 279.388 -0.016 20 30 CBEDLP C[NH+]=C(NCC(=O)N(C)C)NCc1c[nH+]c(N(C)C)n1C ZINC000262326960 220249820 /nfs/dbraw/zinc/24/98/20/220249820.db2.gz UHHUTBXXRSDBIY-UHFFFAOYSA-N 2 2 295.391 -0.761 20 30 CBEDLP C=CC[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000647881589 419684399 /nfs/dbraw/zinc/68/43/99/419684399.db2.gz OVLPYCYNVGXDFV-ZDUSSCGKSA-N 2 2 287.429 -0.433 20 30 CBEDLP C=CC[N@@H+](CCN1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000647881589 419684406 /nfs/dbraw/zinc/68/44/06/419684406.db2.gz OVLPYCYNVGXDFV-ZDUSSCGKSA-N 2 2 287.429 -0.433 20 30 CBEDLP C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000649245251 419854266 /nfs/dbraw/zinc/85/42/66/419854266.db2.gz CKRSWTSRIOIPCS-GFCCVEGCSA-N 2 2 255.362 -0.371 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405213640 420225813 /nfs/dbraw/zinc/22/58/13/420225813.db2.gz MHKWJPUCMZKYGZ-GHMZBOCLSA-N 2 2 284.360 -0.706 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405213640 420225815 /nfs/dbraw/zinc/22/58/15/420225815.db2.gz MHKWJPUCMZKYGZ-GHMZBOCLSA-N 2 2 284.360 -0.706 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC000491657007 420312547 /nfs/dbraw/zinc/31/25/47/420312547.db2.gz FPLRKXNKOKXOHQ-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@@H]2CCOC2)CC1 ZINC000491657007 420312549 /nfs/dbraw/zinc/31/25/49/420312549.db2.gz FPLRKXNKOKXOHQ-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000491630470 420313191 /nfs/dbraw/zinc/31/31/91/420313191.db2.gz PFRQZFMICDRRGM-OAHLLOKOSA-N 3 2 282.432 -0.861 20 30 CBEDLP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000491630470 420313195 /nfs/dbraw/zinc/31/31/95/420313195.db2.gz PFRQZFMICDRRGM-OAHLLOKOSA-N 3 2 282.432 -0.861 20 30 CBEDLP C=CCOCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659596623 420436493 /nfs/dbraw/zinc/43/64/93/420436493.db2.gz KAJVSIGAYMADMK-GFCCVEGCSA-N 2 2 270.377 -0.137 20 30 CBEDLP C=CCOCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000659596623 420436494 /nfs/dbraw/zinc/43/64/94/420436494.db2.gz KAJVSIGAYMADMK-GFCCVEGCSA-N 2 2 270.377 -0.137 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[N@@H+](CC)CC2)CC1 ZINC000490779174 261205665 /nfs/dbraw/zinc/20/56/65/261205665.db2.gz RYNOJRIHDIOTBA-UHFFFAOYSA-N 2 2 292.427 -0.209 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[N@H+](CC)CC2)CC1 ZINC000490779174 261205667 /nfs/dbraw/zinc/20/56/67/261205667.db2.gz RYNOJRIHDIOTBA-UHFFFAOYSA-N 2 2 292.427 -0.209 20 30 CBEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000518759524 261232786 /nfs/dbraw/zinc/23/27/86/261232786.db2.gz ZIZQEUPTUHQASM-OLZOCXBDSA-N 2 2 254.378 -0.123 20 30 CBEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000518759524 261232788 /nfs/dbraw/zinc/23/27/88/261232788.db2.gz ZIZQEUPTUHQASM-OLZOCXBDSA-N 2 2 254.378 -0.123 20 30 CBEDLP C#CCNC(=O)CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000491097044 261327071 /nfs/dbraw/zinc/32/70/71/261327071.db2.gz YUVSSTBCDWPHMH-UHFFFAOYSA-N 2 2 289.383 -0.360 20 30 CBEDLP [NH2+]=C(NCC[NH+]1CCSCC1)N1CCOCC1 ZINC000262511771 303219549 /nfs/dbraw/zinc/21/95/49/303219549.db2.gz DJWQGTMMFNDZOM-UHFFFAOYSA-N 2 2 258.391 -0.318 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000124091308 328021531 /nfs/dbraw/zinc/02/15/31/328021531.db2.gz VJFJBUFFBQAEPN-OAHLLOKOSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000124091308 328021532 /nfs/dbraw/zinc/02/15/32/328021532.db2.gz VJFJBUFFBQAEPN-OAHLLOKOSA-N 2 2 279.384 -0.389 20 30 CBEDLP C=CCN1CC[C@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1=O ZINC000570683595 327610940 /nfs/dbraw/zinc/61/09/40/327610940.db2.gz XNEQYDKYWHQJRR-KBPBESRZSA-N 2 2 278.400 -0.247 20 30 CBEDLP CC1(C)C[N@H+](CCNC(=[NH2+])N2CCOCC2)CCO1 ZINC000170912833 329072285 /nfs/dbraw/zinc/07/22/85/329072285.db2.gz PMSWFNKCMPXGSP-UHFFFAOYSA-N 2 2 270.377 -0.256 20 30 CBEDLP CC1(C)C[N@@H+](CCNC(=[NH2+])N2CCOCC2)CCO1 ZINC000170912833 329072286 /nfs/dbraw/zinc/07/22/86/329072286.db2.gz PMSWFNKCMPXGSP-UHFFFAOYSA-N 2 2 270.377 -0.256 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)CC)CC1 ZINC000490759300 332112735 /nfs/dbraw/zinc/11/27/35/332112735.db2.gz BRVOMSNMBPJJMF-UHFFFAOYSA-N 2 2 252.318 -0.328 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCOCC3(CC3)C2)CC1 ZINC000490934724 332130779 /nfs/dbraw/zinc/13/07/79/332130779.db2.gz JZHPELCYJAKGSP-UHFFFAOYSA-N 2 2 291.395 -0.124 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCOCC3(CC3)C2)CC1 ZINC000490934724 332130781 /nfs/dbraw/zinc/13/07/81/332130781.db2.gz JZHPELCYJAKGSP-UHFFFAOYSA-N 2 2 291.395 -0.124 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC000491037498 332141070 /nfs/dbraw/zinc/14/10/70/332141070.db2.gz DTPFMOHLQIKKRN-ZIAGYGMSSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC000491037498 332141071 /nfs/dbraw/zinc/14/10/71/332141071.db2.gz DTPFMOHLQIKKRN-ZIAGYGMSSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)C(C)C)CC1 ZINC000491038393 332141495 /nfs/dbraw/zinc/14/14/95/332141495.db2.gz JHTFECKNPVMJRM-UHFFFAOYSA-N 2 2 266.345 -0.082 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)[C@@H](C)CC)CC1 ZINC000491144234 332155842 /nfs/dbraw/zinc/15/58/42/332155842.db2.gz HSRJLTQNBGSSSU-AWEZNQCLSA-N 2 2 281.400 -0.143 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000491298136 332184626 /nfs/dbraw/zinc/18/46/26/332184626.db2.gz UHVWUNGTGCTRNV-AWEZNQCLSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000491298136 332184627 /nfs/dbraw/zinc/18/46/27/332184627.db2.gz UHVWUNGTGCTRNV-AWEZNQCLSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000491298136 332184629 /nfs/dbraw/zinc/18/46/29/332184629.db2.gz UHVWUNGTGCTRNV-AWEZNQCLSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000491298136 332184631 /nfs/dbraw/zinc/18/46/31/332184631.db2.gz UHVWUNGTGCTRNV-AWEZNQCLSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[N@@H+](C)CC2)CC1 ZINC000491395466 332204158 /nfs/dbraw/zinc/20/41/58/332204158.db2.gz SKBOZWBMGMXFRJ-UHFFFAOYSA-N 2 2 278.400 -0.599 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[N@H+](C)CC2)CC1 ZINC000491395466 332204160 /nfs/dbraw/zinc/20/41/60/332204160.db2.gz SKBOZWBMGMXFRJ-UHFFFAOYSA-N 2 2 278.400 -0.599 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCOC2)CC1 ZINC000491407725 332206725 /nfs/dbraw/zinc/20/67/25/332206725.db2.gz SJIUXJUTBVKNFE-ZDUSSCGKSA-N 2 2 265.357 -0.516 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCOC2)CC1 ZINC000491407725 332206726 /nfs/dbraw/zinc/20/67/26/332206726.db2.gz SJIUXJUTBVKNFE-ZDUSSCGKSA-N 2 2 265.357 -0.516 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@H]2CC)CC1 ZINC000491451757 332213697 /nfs/dbraw/zinc/21/36/97/332213697.db2.gz HWIKFOJPTGGVGG-OAHLLOKOSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@H]2CC)CC1 ZINC000491451757 332213699 /nfs/dbraw/zinc/21/36/99/332213699.db2.gz HWIKFOJPTGGVGG-OAHLLOKOSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)[C@H]2C)CC1 ZINC000491513968 332226512 /nfs/dbraw/zinc/22/65/12/332226512.db2.gz FOQBLAQJVCKIJK-CABCVRRESA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CO)[C@H]2C)CC1 ZINC000491513968 332226513 /nfs/dbraw/zinc/22/65/13/332226513.db2.gz FOQBLAQJVCKIJK-CABCVRRESA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCOCC1 ZINC000491678185 332282785 /nfs/dbraw/zinc/28/27/85/332282785.db2.gz AALOFIOATKOBKL-UHFFFAOYSA-N 2 2 282.388 -0.427 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCOCC1 ZINC000491678185 332282786 /nfs/dbraw/zinc/28/27/86/332282786.db2.gz AALOFIOATKOBKL-UHFFFAOYSA-N 2 2 282.388 -0.427 20 30 CBEDLP C#CCN1C(=O)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000491680967 332284347 /nfs/dbraw/zinc/28/43/47/332284347.db2.gz KVAZHTCSRWGROZ-RYUDHWBXSA-N 2 2 263.341 -0.322 20 30 CBEDLP C#CCN1C(=O)C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000491680967 332284348 /nfs/dbraw/zinc/28/43/48/332284348.db2.gz KVAZHTCSRWGROZ-RYUDHWBXSA-N 2 2 263.341 -0.322 20 30 CBEDLP C[NH2+]C[C@H](O)C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000577396765 335348081 /nfs/dbraw/zinc/34/80/81/335348081.db2.gz ZKHOXQBKXDYRFG-LBPRGKRZSA-N 2 2 297.380 -0.498 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000734487868 582170553 /nfs/dbraw/zinc/17/05/53/582170553.db2.gz XRTCFERUZZUVPJ-LSDHHAIUSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000734487868 582170554 /nfs/dbraw/zinc/17/05/54/582170554.db2.gz XRTCFERUZZUVPJ-LSDHHAIUSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2COC)CC1 ZINC000752324413 582294848 /nfs/dbraw/zinc/29/48/48/582294848.db2.gz DHPFLGBTHMYGKG-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2COC)CC1 ZINC000752324413 582294849 /nfs/dbraw/zinc/29/48/49/582294849.db2.gz DHPFLGBTHMYGKG-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764464216 582323473 /nfs/dbraw/zinc/32/34/73/582323473.db2.gz BFPRFUZISKRVDI-LSDHHAIUSA-N 2 2 292.427 -0.306 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764464216 582323474 /nfs/dbraw/zinc/32/34/74/582323474.db2.gz BFPRFUZISKRVDI-LSDHHAIUSA-N 2 2 292.427 -0.306 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000764510612 582323767 /nfs/dbraw/zinc/32/37/67/582323767.db2.gz WRGRRKVFKFDPFG-ZDUSSCGKSA-N 2 2 268.405 -0.144 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000782632300 582370124 /nfs/dbraw/zinc/37/01/24/582370124.db2.gz JREVBRMKDDJJIK-HIFRSBDPSA-N 2 2 277.368 -0.922 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000782632300 582370125 /nfs/dbraw/zinc/37/01/25/582370125.db2.gz JREVBRMKDDJJIK-HIFRSBDPSA-N 2 2 277.368 -0.922 20 30 CBEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@H]3CCOC3)cn2)CC1 ZINC000788448914 582386149 /nfs/dbraw/zinc/38/61/49/582386149.db2.gz UQAXWXBABHPILS-ZDUSSCGKSA-N 2 2 290.371 -0.059 20 30 CBEDLP CON=CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000809679042 582446098 /nfs/dbraw/zinc/44/60/98/582446098.db2.gz YSKQVHHJMWVLHY-NSHDSACASA-N 2 2 268.361 -0.097 20 30 CBEDLP CON=CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000809679042 582446099 /nfs/dbraw/zinc/44/60/99/582446099.db2.gz YSKQVHHJMWVLHY-NSHDSACASA-N 2 2 268.361 -0.097 20 30 CBEDLP C=C[C@@H](O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000827413478 582815451 /nfs/dbraw/zinc/81/54/51/582815451.db2.gz HAQJEQCKOXWWNH-DGCLKSJQSA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C[C@@H](O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000827413478 582815452 /nfs/dbraw/zinc/81/54/52/582815452.db2.gz HAQJEQCKOXWWNH-DGCLKSJQSA-N 2 2 267.373 -0.182 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830625856 582936191 /nfs/dbraw/zinc/93/61/91/582936191.db2.gz LNXYAKBEMZOORT-CYBMUJFWSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830625856 582936193 /nfs/dbraw/zinc/93/61/93/582936193.db2.gz LNXYAKBEMZOORT-CYBMUJFWSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000836865343 583143087 /nfs/dbraw/zinc/14/30/87/583143087.db2.gz GUGGDAWRMLQYSD-ZNMIVQPWSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000836865343 583143089 /nfs/dbraw/zinc/14/30/89/583143089.db2.gz GUGGDAWRMLQYSD-ZNMIVQPWSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000836865343 583143090 /nfs/dbraw/zinc/14/30/90/583143090.db2.gz GUGGDAWRMLQYSD-ZNMIVQPWSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000836865343 583143091 /nfs/dbraw/zinc/14/30/91/583143091.db2.gz GUGGDAWRMLQYSD-ZNMIVQPWSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CCSCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000841832615 583174785 /nfs/dbraw/zinc/17/47/85/583174785.db2.gz QUPXOKWPYYBOFO-NSHDSACASA-N 2 2 270.402 -0.363 20 30 CBEDLP C#CCSCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000841832615 583174788 /nfs/dbraw/zinc/17/47/88/583174788.db2.gz QUPXOKWPYYBOFO-NSHDSACASA-N 2 2 270.402 -0.363 20 30 CBEDLP C#C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@H]1CCCO1 ZINC000841881431 583176208 /nfs/dbraw/zinc/17/62/08/583176208.db2.gz QYSTVPMZYSWOHF-FRRDWIJNSA-N 2 2 280.372 -0.549 20 30 CBEDLP C#C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@H]1CCCO1 ZINC000841881431 583176212 /nfs/dbraw/zinc/17/62/12/583176212.db2.gz QYSTVPMZYSWOHF-FRRDWIJNSA-N 2 2 280.372 -0.549 20 30 CBEDLP C[C@@H](CO)N(C)[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000842542045 583185612 /nfs/dbraw/zinc/18/56/12/583185612.db2.gz WZTWGDWLJZFRBI-LBPRGKRZSA-N 2 2 292.387 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@@H](C)O)C2CC2)CC1 ZINC000847103150 583398237 /nfs/dbraw/zinc/39/82/37/583398237.db2.gz ZRCUPOALQVOVPW-CYBMUJFWSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@@H](C)O)C2CC2)CC1 ZINC000847103150 583398241 /nfs/dbraw/zinc/39/82/41/583398241.db2.gz ZRCUPOALQVOVPW-CYBMUJFWSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CCOCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000851726340 583523893 /nfs/dbraw/zinc/52/38/93/583523893.db2.gz OJEPDCOSYUTVIH-UHFFFAOYSA-N 2 2 253.346 -0.658 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000852668741 583550581 /nfs/dbraw/zinc/55/05/81/583550581.db2.gz GPUGZOSFNJZILY-GJZGRUSLSA-N 2 2 291.395 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000852668741 583550582 /nfs/dbraw/zinc/55/05/82/583550582.db2.gz GPUGZOSFNJZILY-GJZGRUSLSA-N 2 2 291.395 -0.268 20 30 CBEDLP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852906818 583573317 /nfs/dbraw/zinc/57/33/17/583573317.db2.gz UCXJWKHCWVMCBR-OAHLLOKOSA-N 2 2 291.395 -0.078 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H](CO)C2)CC1 ZINC000856792045 583661124 /nfs/dbraw/zinc/66/11/24/583661124.db2.gz XMGONFBWXQEUFM-LSDHHAIUSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)CC1 ZINC000856792045 583661127 /nfs/dbraw/zinc/66/11/27/583661127.db2.gz XMGONFBWXQEUFM-LSDHHAIUSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868581562 583982131 /nfs/dbraw/zinc/98/21/31/583982131.db2.gz JVGXAZMWXNAWPR-XQRVVYSFSA-N 2 2 279.384 -0.054 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868581562 583982132 /nfs/dbraw/zinc/98/21/32/583982132.db2.gz JVGXAZMWXNAWPR-XQRVVYSFSA-N 2 2 279.384 -0.054 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000870062033 584008197 /nfs/dbraw/zinc/00/81/97/584008197.db2.gz JIIBQHHCTBTEMN-CQSZACIVSA-N 2 2 297.399 -0.336 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000870062031 584008248 /nfs/dbraw/zinc/00/82/48/584008248.db2.gz JIIBQHHCTBTEMN-AWEZNQCLSA-N 2 2 297.399 -0.336 20 30 CBEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000877034394 584162730 /nfs/dbraw/zinc/16/27/30/584162730.db2.gz GXJGROWYTIABRA-UWVGGRQHSA-N 2 2 261.753 -0.097 20 30 CBEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000877034394 584162731 /nfs/dbraw/zinc/16/27/31/584162731.db2.gz GXJGROWYTIABRA-UWVGGRQHSA-N 2 2 261.753 -0.097 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)CC(C)(C)C2)CC1 ZINC000879621396 584243684 /nfs/dbraw/zinc/24/36/84/584243684.db2.gz WSSGINNXOABXES-AWEZNQCLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)CC(C)(C)C2)CC1 ZINC000879621396 584243685 /nfs/dbraw/zinc/24/36/85/584243685.db2.gz WSSGINNXOABXES-AWEZNQCLSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CCC1(O)CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000880483723 584275479 /nfs/dbraw/zinc/27/54/79/584275479.db2.gz JRZMRVNKDZQOSX-CQSZACIVSA-N 2 2 284.400 -0.224 20 30 CBEDLP C#CCC1(O)CC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000880483723 584275481 /nfs/dbraw/zinc/27/54/81/584275481.db2.gz JRZMRVNKDZQOSX-CQSZACIVSA-N 2 2 284.400 -0.224 20 30 CBEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC000883131297 584337871 /nfs/dbraw/zinc/33/78/71/584337871.db2.gz VATKSVZNINUSNE-UHFFFAOYSA-N 2 2 279.344 -0.504 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000884019625 584355837 /nfs/dbraw/zinc/35/58/37/584355837.db2.gz YGSUAJYUYIRVHP-SRVKXCTJSA-N 2 2 283.372 -0.063 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000884018169 584355967 /nfs/dbraw/zinc/35/59/67/584355967.db2.gz PDMDGELMSOVSBP-UWVGGRQHSA-N 2 2 255.318 -0.747 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH+](C2CC2)CC1 ZINC000884185513 584364683 /nfs/dbraw/zinc/36/46/83/584364683.db2.gz YSOBNXHEFXWXQP-LBPRGKRZSA-N 2 2 281.356 -0.260 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000884244688 584369475 /nfs/dbraw/zinc/36/94/75/584369475.db2.gz JPMDLMYEDNSSMP-DCAQKATOSA-N 2 2 269.345 -0.358 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000884266682 584371104 /nfs/dbraw/zinc/37/11/04/584371104.db2.gz DXTNBAKDLJXRDM-NWDGAFQWSA-N 2 2 283.372 -0.111 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000884272866 584371225 /nfs/dbraw/zinc/37/12/25/584371225.db2.gz FDOSEANNWZSMNO-DCAQKATOSA-N 2 2 269.345 -0.310 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000884270871 584371293 /nfs/dbraw/zinc/37/12/93/584371293.db2.gz TUGWUPNOKLXIKV-GARJFASQSA-N 2 2 269.345 -0.453 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000884325679 584374247 /nfs/dbraw/zinc/37/42/47/584374247.db2.gz YCYFAPBTBHNVOX-LBPRGKRZSA-N 2 2 283.372 -0.014 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000884325679 584374250 /nfs/dbraw/zinc/37/42/50/584374250.db2.gz YCYFAPBTBHNVOX-LBPRGKRZSA-N 2 2 283.372 -0.014 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CCC[NH2+]C ZINC000884343516 584375682 /nfs/dbraw/zinc/37/56/82/584375682.db2.gz BCGWPPKTQULNNK-JTQLQIEISA-N 2 2 257.334 -0.499 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC(C)(C)[NH3+] ZINC000884396096 584378569 /nfs/dbraw/zinc/37/85/69/584378569.db2.gz ULBOWWHETNYCSM-VIFPVBQESA-N 2 2 257.334 -0.371 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000884430951 584380959 /nfs/dbraw/zinc/38/09/59/584380959.db2.gz HHBKKTVKNLWTSL-WDEREUQCSA-N 2 2 281.356 -0.166 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000884438092 584381722 /nfs/dbraw/zinc/38/17/22/584381722.db2.gz UKSXBVRZNSERNG-DCAQKATOSA-N 2 2 269.345 -0.310 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900812332 584828856 /nfs/dbraw/zinc/82/88/56/584828856.db2.gz VDZWFWZQSHIHSP-QWHCGFSZSA-N 2 2 268.405 -0.145 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900812332 584828858 /nfs/dbraw/zinc/82/88/58/584828858.db2.gz VDZWFWZQSHIHSP-QWHCGFSZSA-N 2 2 268.405 -0.145 20 30 CBEDLP N#CC1CCC(C[N@H+](CC[NH3+])C[C@@H](O)CO)CC1 ZINC000903463461 584890773 /nfs/dbraw/zinc/89/07/73/584890773.db2.gz BQKWTKCTHLJNNT-WXRRBKDZSA-N 2 2 255.362 -0.070 20 30 CBEDLP N#CC1CCC(C[N@@H+](CC[NH3+])C[C@@H](O)CO)CC1 ZINC000903463461 584890774 /nfs/dbraw/zinc/89/07/74/584890774.db2.gz BQKWTKCTHLJNNT-WXRRBKDZSA-N 2 2 255.362 -0.070 20 30 CBEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969442556 613118027 /nfs/dbraw/zinc/11/80/27/613118027.db2.gz RSENNBTWJKRBOD-DGCLKSJQSA-N 2 2 265.357 -0.613 20 30 CBEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969442556 613118028 /nfs/dbraw/zinc/11/80/28/613118028.db2.gz RSENNBTWJKRBOD-DGCLKSJQSA-N 2 2 265.357 -0.613 20 30 CBEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000981435349 613155924 /nfs/dbraw/zinc/15/59/24/613155924.db2.gz DXPXWJFUTHYHGY-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000981435349 613155927 /nfs/dbraw/zinc/15/59/27/613155927.db2.gz DXPXWJFUTHYHGY-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981435349 613155930 /nfs/dbraw/zinc/15/59/30/613155930.db2.gz DXPXWJFUTHYHGY-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981435349 613155932 /nfs/dbraw/zinc/15/59/32/613155932.db2.gz DXPXWJFUTHYHGY-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC000974686490 613201265 /nfs/dbraw/zinc/20/12/65/613201265.db2.gz PCSJQYRSJJHNQF-UONOGXRCSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)CC1(C)C ZINC000974686490 613201267 /nfs/dbraw/zinc/20/12/67/613201267.db2.gz PCSJQYRSJJHNQF-UONOGXRCSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)CC1(C)C ZINC000974686490 613201269 /nfs/dbraw/zinc/20/12/69/613201269.db2.gz PCSJQYRSJJHNQF-UONOGXRCSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)CC1(C)C ZINC000974686490 613201271 /nfs/dbraw/zinc/20/12/71/613201271.db2.gz PCSJQYRSJJHNQF-UONOGXRCSA-N 2 2 293.411 -0.097 20 30 CBEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969440398 613536971 /nfs/dbraw/zinc/53/69/71/613536971.db2.gz GFXFYTJLKUSKEW-GXTWGEPZSA-N 2 2 279.384 -0.223 20 30 CBEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969440398 613536973 /nfs/dbraw/zinc/53/69/73/613536973.db2.gz GFXFYTJLKUSKEW-GXTWGEPZSA-N 2 2 279.384 -0.223 20 30 CBEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958475493 613637901 /nfs/dbraw/zinc/63/79/01/613637901.db2.gz WSSBGXZPUHMQGQ-RQJABVFESA-N 2 2 277.368 -0.613 20 30 CBEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 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CBEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010426770 657184724 /nfs/dbraw/zinc/18/47/24/657184724.db2.gz JNOBVSZDYNGZHA-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010426768 657185675 /nfs/dbraw/zinc/18/56/75/657185675.db2.gz JNOBVSZDYNGZHA-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010426768 657185680 /nfs/dbraw/zinc/18/56/80/657185680.db2.gz JNOBVSZDYNGZHA-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010426768 657185682 /nfs/dbraw/zinc/18/56/82/657185682.db2.gz JNOBVSZDYNGZHA-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010426768 657185687 /nfs/dbraw/zinc/18/56/87/657185687.db2.gz JNOBVSZDYNGZHA-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC000913550827 657541934 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C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076805334 805626613 /nfs/dbraw/zinc/62/66/13/805626613.db2.gz CLHIQIXKXUUBQA-JHJVBQTASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076805334 805626616 /nfs/dbraw/zinc/62/66/16/805626616.db2.gz CLHIQIXKXUUBQA-JHJVBQTASA-N 2 2 267.373 -0.182 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076805334 805626619 /nfs/dbraw/zinc/62/66/19/805626619.db2.gz CLHIQIXKXUUBQA-JHJVBQTASA-N 2 2 267.373 -0.182 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC=C)C[C@H]1O ZINC001077159083 805689910 /nfs/dbraw/zinc/68/99/10/805689910.db2.gz NJWDKZDEZMSVGY-QLFBSQMISA-N 2 2 291.395 -0.179 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC=C)C[C@H]1O ZINC001077159083 805689914 /nfs/dbraw/zinc/68/99/14/805689914.db2.gz NJWDKZDEZMSVGY-QLFBSQMISA-N 2 2 291.395 -0.179 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC=C)C[C@H]1O ZINC001077159083 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ZINC001077678445 805768233 /nfs/dbraw/zinc/76/82/33/805768233.db2.gz ZJYIRHYMQUUITB-JHJVBQTASA-N 2 2 265.357 -0.877 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001077678445 805768236 /nfs/dbraw/zinc/76/82/36/805768236.db2.gz ZJYIRHYMQUUITB-JHJVBQTASA-N 2 2 265.357 -0.877 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077678445 805768243 /nfs/dbraw/zinc/76/82/43/805768243.db2.gz ZJYIRHYMQUUITB-JHJVBQTASA-N 2 2 265.357 -0.877 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001077678445 805768250 /nfs/dbraw/zinc/76/82/50/805768250.db2.gz ZJYIRHYMQUUITB-JHJVBQTASA-N 2 2 265.357 -0.877 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077892993 805802201 /nfs/dbraw/zinc/80/22/01/805802201.db2.gz UUJMPOWHLAGMEO-HUUCEWRRSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001077892993 805802211 /nfs/dbraw/zinc/80/22/11/805802211.db2.gz UUJMPOWHLAGMEO-HUUCEWRRSA-N 2 2 293.411 -0.097 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081448748 806083189 /nfs/dbraw/zinc/08/31/89/806083189.db2.gz RYHACSOJQCCFLL-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081448748 806083197 /nfs/dbraw/zinc/08/31/97/806083197.db2.gz RYHACSOJQCCFLL-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081448748 806083208 /nfs/dbraw/zinc/08/32/08/806083208.db2.gz RYHACSOJQCCFLL-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081448748 806083216 /nfs/dbraw/zinc/08/32/16/806083216.db2.gz RYHACSOJQCCFLL-HZSPNIEDSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290728 806246399 /nfs/dbraw/zinc/24/63/99/806246399.db2.gz SNKISBVUBRYDGO-UONOGXRCSA-N 2 2 288.351 -0.182 20 30 CBEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290728 806246405 /nfs/dbraw/zinc/24/64/05/806246405.db2.gz SNKISBVUBRYDGO-UONOGXRCSA-N 2 2 288.351 -0.182 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372676 806290298 /nfs/dbraw/zinc/29/02/98/806290298.db2.gz AJJSWCIWEFLRSA-AGIUHOORSA-N 2 2 265.357 -0.735 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083372676 806290300 /nfs/dbraw/zinc/29/03/00/806290300.db2.gz AJJSWCIWEFLRSA-AGIUHOORSA-N 2 2 265.357 -0.735 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083372676 806290304 /nfs/dbraw/zinc/29/03/04/806290304.db2.gz AJJSWCIWEFLRSA-AGIUHOORSA-N 2 2 265.357 -0.735 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083372676 806290308 /nfs/dbraw/zinc/29/03/08/806290308.db2.gz AJJSWCIWEFLRSA-AGIUHOORSA-N 2 2 265.357 -0.735 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC)C[C@@H]1O ZINC001083537068 806358278 /nfs/dbraw/zinc/35/82/78/806358278.db2.gz ACPKWTVSPXSBSB-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC)C[C@@H]1O ZINC001083537068 806358287 /nfs/dbraw/zinc/35/82/87/806358287.db2.gz ACPKWTVSPXSBSB-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC)C[C@@H]1O ZINC001083537068 806358297 /nfs/dbraw/zinc/35/82/97/806358297.db2.gz ACPKWTVSPXSBSB-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC)C[C@@H]1O ZINC001083537068 806358307 /nfs/dbraw/zinc/35/83/07/806358307.db2.gz ACPKWTVSPXSBSB-RDBSUJKOSA-N 2 2 279.384 -0.345 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566622 806368234 /nfs/dbraw/zinc/36/82/34/806368234.db2.gz UCAPUMUSGLLUOM-FVCCEPFGSA-N 2 2 283.372 -0.947 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566622 806368243 /nfs/dbraw/zinc/36/82/43/806368243.db2.gz UCAPUMUSGLLUOM-FVCCEPFGSA-N 2 2 283.372 -0.947 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566622 806368251 /nfs/dbraw/zinc/36/82/51/806368251.db2.gz UCAPUMUSGLLUOM-FVCCEPFGSA-N 2 2 283.372 -0.947 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566622 806368261 /nfs/dbraw/zinc/36/82/61/806368261.db2.gz UCAPUMUSGLLUOM-FVCCEPFGSA-N 2 2 283.372 -0.947 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668425 806396611 /nfs/dbraw/zinc/39/66/11/806396611.db2.gz QMJJPJINGIXZMU-ILXRZTDVSA-N 2 2 291.395 -0.345 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668425 806396621 /nfs/dbraw/zinc/39/66/21/806396621.db2.gz QMJJPJINGIXZMU-ILXRZTDVSA-N 2 2 291.395 -0.345 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749418 806422472 /nfs/dbraw/zinc/42/24/72/806422472.db2.gz XYBJUGGMYHRJJN-OLZOCXBDSA-N 2 2 265.357 -0.877 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749418 806422478 /nfs/dbraw/zinc/42/24/78/806422478.db2.gz XYBJUGGMYHRJJN-OLZOCXBDSA-N 2 2 265.357 -0.877 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083779120 806431314 /nfs/dbraw/zinc/43/13/14/806431314.db2.gz NAOOXQNXCXAYMB-MJBXVCDLSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083779120 806431319 /nfs/dbraw/zinc/43/13/19/806431319.db2.gz NAOOXQNXCXAYMB-MJBXVCDLSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083779120 806431325 /nfs/dbraw/zinc/43/13/25/806431325.db2.gz NAOOXQNXCXAYMB-MJBXVCDLSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083779120 806431330 /nfs/dbraw/zinc/43/13/30/806431330.db2.gz NAOOXQNXCXAYMB-MJBXVCDLSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781530 806432179 /nfs/dbraw/zinc/43/21/79/806432179.db2.gz LDPOUZYXYSHAKV-MCIONIFRSA-N 2 2 279.384 -0.487 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781530 806432183 /nfs/dbraw/zinc/43/21/83/806432183.db2.gz LDPOUZYXYSHAKV-MCIONIFRSA-N 2 2 279.384 -0.487 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781530 806432187 /nfs/dbraw/zinc/43/21/87/806432187.db2.gz LDPOUZYXYSHAKV-MCIONIFRSA-N 2 2 279.384 -0.487 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781530 806432192 /nfs/dbraw/zinc/43/21/92/806432192.db2.gz LDPOUZYXYSHAKV-MCIONIFRSA-N 2 2 279.384 -0.487 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908462 806461074 /nfs/dbraw/zinc/46/10/74/806461074.db2.gz FLNOADDWWKMFBU-CABCVRRESA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908462 806461080 /nfs/dbraw/zinc/46/10/80/806461080.db2.gz FLNOADDWWKMFBU-CABCVRRESA-N 2 2 293.411 -0.099 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084077358 806486981 /nfs/dbraw/zinc/48/69/81/806486981.db2.gz QPTMFYXTTIJAJF-AGIUHOORSA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084077358 806486986 /nfs/dbraw/zinc/48/69/86/806486986.db2.gz QPTMFYXTTIJAJF-AGIUHOORSA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084077358 806486990 /nfs/dbraw/zinc/48/69/90/806486990.db2.gz QPTMFYXTTIJAJF-AGIUHOORSA-N 2 2 283.372 -0.946 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084077358 806486993 /nfs/dbraw/zinc/48/69/93/806486993.db2.gz QPTMFYXTTIJAJF-AGIUHOORSA-N 2 2 283.372 -0.946 20 30 CBEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027351102 799042361 /nfs/dbraw/zinc/04/23/61/799042361.db2.gz QIDYGKKAXRFPNV-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027351102 799042366 /nfs/dbraw/zinc/04/23/66/799042366.db2.gz QIDYGKKAXRFPNV-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001027351102 799042373 /nfs/dbraw/zinc/04/23/73/799042373.db2.gz QIDYGKKAXRFPNV-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001027351102 799042374 /nfs/dbraw/zinc/04/23/74/799042374.db2.gz QIDYGKKAXRFPNV-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027806112 799082142 /nfs/dbraw/zinc/08/21/42/799082142.db2.gz DLGQDNBYHXCARH-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027806112 799082144 /nfs/dbraw/zinc/08/21/44/799082144.db2.gz DLGQDNBYHXCARH-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027806112 799082150 /nfs/dbraw/zinc/08/21/50/799082150.db2.gz DLGQDNBYHXCARH-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027806112 799082153 /nfs/dbraw/zinc/08/21/53/799082153.db2.gz DLGQDNBYHXCARH-UONOGXRCSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030706221 799364771 /nfs/dbraw/zinc/36/47/71/799364771.db2.gz YHBBXYDZJOHRPW-CXOJTPOUSA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001030706221 799364778 /nfs/dbraw/zinc/36/47/78/799364778.db2.gz YHBBXYDZJOHRPW-CXOJTPOUSA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001031741217 799537966 /nfs/dbraw/zinc/53/79/66/799537966.db2.gz SNRSPHBBHKINIO-AWEZNQCLSA-N 2 2 259.353 -0.235 20 30 CBEDLP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001031741217 799537971 /nfs/dbraw/zinc/53/79/71/799537971.db2.gz SNRSPHBBHKINIO-AWEZNQCLSA-N 2 2 259.353 -0.235 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032981423 799699831 /nfs/dbraw/zinc/69/98/31/799699831.db2.gz SBKGWOZQIFKUCO-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032981423 799699836 /nfs/dbraw/zinc/69/98/36/799699836.db2.gz SBKGWOZQIFKUCO-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032981423 799699838 /nfs/dbraw/zinc/69/98/38/799699838.db2.gz SBKGWOZQIFKUCO-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032981423 799699844 /nfs/dbraw/zinc/69/98/44/799699844.db2.gz SBKGWOZQIFKUCO-KBPBESRZSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCO)C1 ZINC001033159996 799722095 /nfs/dbraw/zinc/72/20/95/799722095.db2.gz CHJZCNXAYDIVBV-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033159996 799722102 /nfs/dbraw/zinc/72/21/02/799722102.db2.gz CHJZCNXAYDIVBV-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCO)C1 ZINC001033159996 799722107 /nfs/dbraw/zinc/72/21/07/799722107.db2.gz CHJZCNXAYDIVBV-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCO)C1 ZINC001033159996 799722109 /nfs/dbraw/zinc/72/21/09/799722109.db2.gz CHJZCNXAYDIVBV-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCO)C1 ZINC001033159999 799722135 /nfs/dbraw/zinc/72/21/35/799722135.db2.gz CHJZCNXAYDIVBV-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033159999 799722139 /nfs/dbraw/zinc/72/21/39/799722139.db2.gz CHJZCNXAYDIVBV-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCO)C1 ZINC001033159999 799722142 /nfs/dbraw/zinc/72/21/42/799722142.db2.gz CHJZCNXAYDIVBV-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCO)C1 ZINC001033159999 799722147 /nfs/dbraw/zinc/72/21/47/799722147.db2.gz CHJZCNXAYDIVBV-KGLIPLIRSA-N 2 2 279.384 -0.391 20 30 CBEDLP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001035325866 799890788 /nfs/dbraw/zinc/89/07/88/799890788.db2.gz DLJAWXASIAQJTE-KGLIPLIRSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001035325866 799890796 /nfs/dbraw/zinc/89/07/96/799890796.db2.gz DLJAWXASIAQJTE-KGLIPLIRSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035325866 799890804 /nfs/dbraw/zinc/89/08/04/799890804.db2.gz DLJAWXASIAQJTE-KGLIPLIRSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035325866 799890813 /nfs/dbraw/zinc/89/08/13/799890813.db2.gz DLJAWXASIAQJTE-KGLIPLIRSA-N 2 2 297.399 -0.290 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038396644 800104145 /nfs/dbraw/zinc/10/41/45/800104145.db2.gz SVQXBDGHBHNTIT-JHJVBQTASA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038396644 800104149 /nfs/dbraw/zinc/10/41/49/800104149.db2.gz SVQXBDGHBHNTIT-JHJVBQTASA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038396644 800104150 /nfs/dbraw/zinc/10/41/50/800104150.db2.gz SVQXBDGHBHNTIT-JHJVBQTASA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038396644 800104155 /nfs/dbraw/zinc/10/41/55/800104155.db2.gz SVQXBDGHBHNTIT-JHJVBQTASA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038809348 801252663 /nfs/dbraw/zinc/25/26/63/801252663.db2.gz HRQIKSILPAQXSX-AWEZNQCLSA-N 2 2 289.383 -0.118 20 30 CBEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038809348 801252670 /nfs/dbraw/zinc/25/26/70/801252670.db2.gz HRQIKSILPAQXSX-AWEZNQCLSA-N 2 2 289.383 -0.118 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038809352 801252819 /nfs/dbraw/zinc/25/28/19/801252819.db2.gz HRQIKSILPAQXSX-CQSZACIVSA-N 2 2 289.383 -0.118 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038809352 801252824 /nfs/dbraw/zinc/25/28/24/801252824.db2.gz HRQIKSILPAQXSX-CQSZACIVSA-N 2 2 289.383 -0.118 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047322244 801835997 /nfs/dbraw/zinc/83/59/97/801835997.db2.gz NHMNVOUTWRQBLG-AGIUHOORSA-N 2 2 265.357 -0.783 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047322244 801836005 /nfs/dbraw/zinc/83/60/05/801836005.db2.gz NHMNVOUTWRQBLG-AGIUHOORSA-N 2 2 265.357 -0.783 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047322244 801836014 /nfs/dbraw/zinc/83/60/14/801836014.db2.gz NHMNVOUTWRQBLG-AGIUHOORSA-N 2 2 265.357 -0.783 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047322244 801836022 /nfs/dbraw/zinc/83/60/22/801836022.db2.gz NHMNVOUTWRQBLG-AGIUHOORSA-N 2 2 265.357 -0.783 20 30 CBEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047334482 801840304 /nfs/dbraw/zinc/84/03/04/801840304.db2.gz ICBKITVHYZZMHA-RWMBFGLXSA-N 2 2 283.372 -0.994 20 30 CBEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047334482 801840311 /nfs/dbraw/zinc/84/03/11/801840311.db2.gz ICBKITVHYZZMHA-RWMBFGLXSA-N 2 2 283.372 -0.994 20 30 CBEDLP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001047334482 801840317 /nfs/dbraw/zinc/84/03/17/801840317.db2.gz ICBKITVHYZZMHA-RWMBFGLXSA-N 2 2 283.372 -0.994 20 30 CBEDLP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001047334482 801840321 /nfs/dbraw/zinc/84/03/21/801840321.db2.gz ICBKITVHYZZMHA-RWMBFGLXSA-N 2 2 283.372 -0.994 20 30 CBEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047334481 801840659 /nfs/dbraw/zinc/84/06/59/801840659.db2.gz ICBKITVHYZZMHA-AVGNSLFASA-N 2 2 283.372 -0.994 20 30 CBEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047334481 801840664 /nfs/dbraw/zinc/84/06/64/801840664.db2.gz ICBKITVHYZZMHA-AVGNSLFASA-N 2 2 283.372 -0.994 20 30 CBEDLP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001047334481 801840671 /nfs/dbraw/zinc/84/06/71/801840671.db2.gz ICBKITVHYZZMHA-AVGNSLFASA-N 2 2 283.372 -0.994 20 30 CBEDLP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001047334481 801840677 /nfs/dbraw/zinc/84/06/77/801840677.db2.gz ICBKITVHYZZMHA-AVGNSLFASA-N 2 2 283.372 -0.994 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047430593 801871880 /nfs/dbraw/zinc/87/18/80/801871880.db2.gz JIRKZNHDISOBIY-RDBSUJKOSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001047430593 801871887 /nfs/dbraw/zinc/87/18/87/801871887.db2.gz JIRKZNHDISOBIY-RDBSUJKOSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001047430593 801871895 /nfs/dbraw/zinc/87/18/95/801871895.db2.gz JIRKZNHDISOBIY-RDBSUJKOSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001047430593 801871898 /nfs/dbraw/zinc/87/18/98/801871898.db2.gz JIRKZNHDISOBIY-RDBSUJKOSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001047528824 801893339 /nfs/dbraw/zinc/89/33/39/801893339.db2.gz DFBMDNDPEFFDFC-IHRRRGAJSA-N 2 2 279.384 -0.535 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001047528824 801893346 /nfs/dbraw/zinc/89/33/46/801893346.db2.gz DFBMDNDPEFFDFC-IHRRRGAJSA-N 2 2 279.384 -0.535 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001047528824 801893361 /nfs/dbraw/zinc/89/33/61/801893361.db2.gz DFBMDNDPEFFDFC-IHRRRGAJSA-N 2 2 279.384 -0.535 20 30 CBEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047647174 801916766 /nfs/dbraw/zinc/91/67/66/801916766.db2.gz RBVSVVGUTYFVME-STQMWFEESA-N 2 2 276.340 -0.590 20 30 CBEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047647174 801916771 /nfs/dbraw/zinc/91/67/71/801916771.db2.gz RBVSVVGUTYFVME-STQMWFEESA-N 2 2 276.340 -0.590 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001050007064 802049448 /nfs/dbraw/zinc/04/94/48/802049448.db2.gz XCUYIQJDAMFYQF-RRFJBIMHSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001050007064 802049456 /nfs/dbraw/zinc/04/94/56/802049456.db2.gz XCUYIQJDAMFYQF-RRFJBIMHSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050007064 802049464 /nfs/dbraw/zinc/04/94/64/802049464.db2.gz XCUYIQJDAMFYQF-RRFJBIMHSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050007064 802049466 /nfs/dbraw/zinc/04/94/66/802049466.db2.gz XCUYIQJDAMFYQF-RRFJBIMHSA-N 2 2 291.395 -0.127 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149129488 814971421 /nfs/dbraw/zinc/97/14/21/814971421.db2.gz DOYYNJJFXLEUSI-UHFFFAOYSA-N 2 2 279.344 -0.731 20 30 CBEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001325154990 804249104 /nfs/dbraw/zinc/24/91/04/804249104.db2.gz XPFRMVPWAXLROO-HNNXBMFYSA-N 2 2 290.367 -0.163 20 30 CBEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001325154990 804249110 /nfs/dbraw/zinc/24/91/10/804249110.db2.gz XPFRMVPWAXLROO-HNNXBMFYSA-N 2 2 290.367 -0.163 20 30 CBEDLP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)C#N)CC1 ZINC001325878349 804331289 /nfs/dbraw/zinc/33/12/89/804331289.db2.gz IGRRAWNQEJLBLD-LBPRGKRZSA-N 2 2 254.378 -0.266 20 30 CBEDLP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073562393 805386081 /nfs/dbraw/zinc/38/60/81/805386081.db2.gz SQIOEBJNKYUYFJ-KBPBESRZSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073562393 805386091 /nfs/dbraw/zinc/38/60/91/805386091.db2.gz SQIOEBJNKYUYFJ-KBPBESRZSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073562393 805386094 /nfs/dbraw/zinc/38/60/94/805386094.db2.gz SQIOEBJNKYUYFJ-KBPBESRZSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073562393 805386104 /nfs/dbraw/zinc/38/61/04/805386104.db2.gz SQIOEBJNKYUYFJ-KBPBESRZSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073562395 805387156 /nfs/dbraw/zinc/38/71/56/805387156.db2.gz SQIOEBJNKYUYFJ-UONOGXRCSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073562395 805387164 /nfs/dbraw/zinc/38/71/64/805387164.db2.gz SQIOEBJNKYUYFJ-UONOGXRCSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073562395 805387171 /nfs/dbraw/zinc/38/71/71/805387171.db2.gz SQIOEBJNKYUYFJ-UONOGXRCSA-N 2 2 297.399 -0.290 20 30 CBEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073562395 805387180 /nfs/dbraw/zinc/38/71/80/805387180.db2.gz SQIOEBJNKYUYFJ-UONOGXRCSA-N 2 2 297.399 -0.290 20 30 CBEDLP C#CC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151815202 815094732 /nfs/dbraw/zinc/09/47/32/815094732.db2.gz QXWFLWMCXUNBMV-CYBMUJFWSA-N 2 2 265.357 -0.564 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088505364 810337369 /nfs/dbraw/zinc/33/73/69/810337369.db2.gz GEIJZDZGHRNGKG-AGIUHOORSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088505364 810337375 /nfs/dbraw/zinc/33/73/75/810337375.db2.gz GEIJZDZGHRNGKG-AGIUHOORSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088505364 810337381 /nfs/dbraw/zinc/33/73/81/810337381.db2.gz GEIJZDZGHRNGKG-AGIUHOORSA-N 2 2 265.357 -0.471 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088505364 810337391 /nfs/dbraw/zinc/33/73/91/810337391.db2.gz GEIJZDZGHRNGKG-AGIUHOORSA-N 2 2 265.357 -0.471 20 30 CBEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090593507 810529962 /nfs/dbraw/zinc/52/99/62/810529962.db2.gz FFJGPJOTKPCRBF-RYUDHWBXSA-N 2 2 264.329 -0.310 20 30 CBEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090593507 810529969 /nfs/dbraw/zinc/52/99/69/810529969.db2.gz FFJGPJOTKPCRBF-RYUDHWBXSA-N 2 2 264.329 -0.310 20 30 CBEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728864 810559259 /nfs/dbraw/zinc/55/92/59/810559259.db2.gz XVASGKAXJJIRDL-CHWSQXEVSA-N 2 2 278.356 -0.300 20 30 CBEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728864 810559264 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C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001095264630 810745139 /nfs/dbraw/zinc/74/51/39/810745139.db2.gz VUPKFWIQDLTOAK-ZOBORPQBSA-N 2 2 277.368 -0.328 20 30 CBEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001095264630 810745143 /nfs/dbraw/zinc/74/51/43/810745143.db2.gz VUPKFWIQDLTOAK-ZOBORPQBSA-N 2 2 277.368 -0.328 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099805231 810945124 /nfs/dbraw/zinc/94/51/24/810945124.db2.gz YVQOSMZTYIFGTR-STQMWFEESA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099805231 810945129 /nfs/dbraw/zinc/94/51/29/810945129.db2.gz YVQOSMZTYIFGTR-STQMWFEESA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099871792 810958050 /nfs/dbraw/zinc/95/80/50/810958050.db2.gz KHMFMVITLQHDEL-KBPBESRZSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099871792 810958053 /nfs/dbraw/zinc/95/80/53/810958053.db2.gz KHMFMVITLQHDEL-KBPBESRZSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099871792 810958057 /nfs/dbraw/zinc/95/80/57/810958057.db2.gz KHMFMVITLQHDEL-KBPBESRZSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099871792 810958060 /nfs/dbraw/zinc/95/80/60/810958060.db2.gz KHMFMVITLQHDEL-KBPBESRZSA-N 2 2 290.367 -0.083 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940457 810971734 /nfs/dbraw/zinc/97/17/34/810971734.db2.gz VWYSPRPRZXVLPU-KBPBESRZSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940457 810971759 /nfs/dbraw/zinc/97/17/59/810971759.db2.gz VWYSPRPRZXVLPU-KBPBESRZSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940151 810972148 /nfs/dbraw/zinc/97/21/48/810972148.db2.gz 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COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342522 812193356 /nfs/dbraw/zinc/19/33/56/812193356.db2.gz ZJVLTOBGBFKPHG-NHAGDIPZSA-N 2 2 288.351 -0.421 20 30 CBEDLP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342522 812193359 /nfs/dbraw/zinc/19/33/59/812193359.db2.gz ZJVLTOBGBFKPHG-NHAGDIPZSA-N 2 2 288.351 -0.421 20 30 CBEDLP Cc1ncc(C#N)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204602 815514177 /nfs/dbraw/zinc/51/41/77/815514177.db2.gz RXQPJHFCWOPUOZ-SNVBAGLBSA-N 2 2 258.285 -0.296 20 30 CBEDLP N#CCc1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206294 815514295 /nfs/dbraw/zinc/51/42/95/815514295.db2.gz IGNFQDWIVHXASZ-SECBINFHSA-N 2 2 258.285 -0.410 20 30 CBEDLP CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1Cc2c[nH+]cn2C1 ZINC001120517203 812979946 /nfs/dbraw/zinc/97/99/46/812979946.db2.gz XTTWZQZWQHXBSS-YPMHNXCESA-N 2 2 263.345 -0.396 20 30 CBEDLP C#CC[NH2+]CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001122053128 813110689 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/nfs/dbraw/zinc/96/33/64/816963364.db2.gz HHMOMVBAZBWDBT-ZDUSSCGKSA-N 2 2 290.367 -0.197 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001320282929 817312992 /nfs/dbraw/zinc/31/29/92/817312992.db2.gz LIPQFLNVTSIJHU-CMPLNLGQSA-N 2 2 264.329 -0.712 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001320282929 817312999 /nfs/dbraw/zinc/31/29/99/817312999.db2.gz LIPQFLNVTSIJHU-CMPLNLGQSA-N 2 2 264.329 -0.712 20 30 CBEDLP Cc1nc(C#N)c(C#N)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072475 820205605 /nfs/dbraw/zinc/20/56/05/820205605.db2.gz OISUDOFBIFRCRU-SECBINFHSA-N 2 2 283.295 -0.424 20 30 CBEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414172 820580856 /nfs/dbraw/zinc/58/08/56/820580856.db2.gz GKFFQJQWSCBHPN-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414172 820580862 /nfs/dbraw/zinc/58/08/62/820580862.db2.gz GKFFQJQWSCBHPN-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCC[NH2+]CCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001279893356 828341600 /nfs/dbraw/zinc/34/16/00/828341600.db2.gz RTVAKYVPNPCGOC-UHFFFAOYSA-N 2 2 278.356 -0.306 20 30 CBEDLP C=CCC[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001283825118 828553508 /nfs/dbraw/zinc/55/35/08/828553508.db2.gz NPYJBJRMHOZFFW-LLVKDONJSA-N 2 2 266.345 -0.097 20 30 CBEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208490917 824454684 /nfs/dbraw/zinc/45/46/84/824454684.db2.gz OFOXDOSFGZIHHF-VXGBXAGGSA-N 2 2 295.387 -0.986 20 30 CBEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208490917 824454687 /nfs/dbraw/zinc/45/46/87/824454687.db2.gz OFOXDOSFGZIHHF-VXGBXAGGSA-N 2 2 295.387 -0.986 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CC)[C@H]2C1 ZINC001218912587 824647325 /nfs/dbraw/zinc/64/73/25/824647325.db2.gz SRKPQTFEWXXLRX-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218912587 824647330 /nfs/dbraw/zinc/64/73/30/824647330.db2.gz SRKPQTFEWXXLRX-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218912587 824647333 /nfs/dbraw/zinc/64/73/33/824647333.db2.gz SRKPQTFEWXXLRX-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218912587 824647339 /nfs/dbraw/zinc/64/73/39/824647339.db2.gz SRKPQTFEWXXLRX-UONOGXRCSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCCCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219634090 824868643 /nfs/dbraw/zinc/86/86/43/824868643.db2.gz NEJIGFAZCWEWHL-LBPRGKRZSA-N 2 2 252.362 -0.734 20 30 CBEDLP C=C(C)C(=O)NCCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220043173 824942486 /nfs/dbraw/zinc/94/24/86/824942486.db2.gz HUTFNPWHLVZACS-SMDDNHRTSA-N 2 2 280.372 -0.864 20 30 CBEDLP C=C(C)C(=O)NCCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220043172 824942591 /nfs/dbraw/zinc/94/25/91/824942591.db2.gz HUTFNPWHLVZACS-RISCZKNCSA-N 2 2 280.372 -0.864 20 30 CBEDLP C=C(C)C(=O)OCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220125105 824961942 /nfs/dbraw/zinc/96/19/42/824961942.db2.gz YFZUUNHFRAUDTC-JTQLQIEISA-N 2 2 266.301 -0.485 20 30 CBEDLP CCOC(=O)[C@@H](C#N)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220499371 825049586 /nfs/dbraw/zinc/04/95/86/825049586.db2.gz XBGRWIQYTYSTNZ-NWDGAFQWSA-N 2 2 290.323 -0.170 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220815129 825105916 /nfs/dbraw/zinc/10/59/16/825105916.db2.gz BKJGRMJVFOUUDO-NEPJUHHUSA-N 2 2 253.346 -0.877 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220815129 825105925 /nfs/dbraw/zinc/10/59/25/825105925.db2.gz BKJGRMJVFOUUDO-NEPJUHHUSA-N 2 2 253.346 -0.877 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220815129 825105933 /nfs/dbraw/zinc/10/59/33/825105933.db2.gz BKJGRMJVFOUUDO-NEPJUHHUSA-N 2 2 253.346 -0.877 20 30 CBEDLP N#CC1(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCOCC1 ZINC001220966713 825130608 /nfs/dbraw/zinc/13/06/08/825130608.db2.gz CTMUVAPRZOFPGD-SNVBAGLBSA-N 2 2 263.301 -0.532 20 30 CBEDLP N#Cc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)cn1 ZINC001221089342 825142799 /nfs/dbraw/zinc/14/27/99/825142799.db2.gz OLFLUHGNDNMJDG-SMDDNHRTSA-N 2 2 271.324 -0.479 20 30 CBEDLP N#C[C@@H]1C[C@H]([N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246620306 825696485 /nfs/dbraw/zinc/69/64/85/825696485.db2.gz XWUYCSZOAZIXMT-CRWXNKLISA-N 2 2 263.389 -0.344 20 30 CBEDLP N#C[C@@H]1C[C@H]([N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CCN1 ZINC001246620306 825696487 /nfs/dbraw/zinc/69/64/87/825696487.db2.gz XWUYCSZOAZIXMT-CRWXNKLISA-N 2 2 263.389 -0.344 20 30 CBEDLP C[C@H]1C[N@H+](CCNC(=O)NCC#CC[NH+](C)C)[C@@H](C)CO1 ZINC001256584909 826027347 /nfs/dbraw/zinc/02/73/47/826027347.db2.gz KQUZHNKCYXRBEI-KBPBESRZSA-N 2 2 296.415 -0.040 20 30 CBEDLP C[C@H]1C[N@@H+](CCNC(=O)NCC#CC[NH+](C)C)[C@@H](C)CO1 ZINC001256584909 826027355 /nfs/dbraw/zinc/02/73/55/826027355.db2.gz KQUZHNKCYXRBEI-KBPBESRZSA-N 2 2 296.415 -0.040 20 30 CBEDLP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CN(C)CC[N@@H+]1C ZINC001263305691 826762459 /nfs/dbraw/zinc/76/24/59/826762459.db2.gz DPAFFCGYZZRQTG-UKRRQHHQSA-N 2 2 292.427 -0.260 20 30 CBEDLP C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1CN(C)CC[N@H+]1C ZINC001263305691 826762462 /nfs/dbraw/zinc/76/24/62/826762462.db2.gz DPAFFCGYZZRQTG-UKRRQHHQSA-N 2 2 292.427 -0.260 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266311787 826978779 /nfs/dbraw/zinc/97/87/79/826978779.db2.gz IMNTWPUESADLMN-ZDUSSCGKSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266311787 826978784 /nfs/dbraw/zinc/97/87/84/826978784.db2.gz IMNTWPUESADLMN-ZDUSSCGKSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266311787 826978785 /nfs/dbraw/zinc/97/87/85/826978785.db2.gz IMNTWPUESADLMN-ZDUSSCGKSA-N 2 2 296.415 -0.179 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266311787 826978790 /nfs/dbraw/zinc/97/87/90/826978790.db2.gz IMNTWPUESADLMN-ZDUSSCGKSA-N 2 2 296.415 -0.179 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266358762 826987969 /nfs/dbraw/zinc/98/79/69/826987969.db2.gz GNWHWIMDYMJVDY-ZDUSSCGKSA-N 2 2 292.383 -0.978 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266358762 826987975 /nfs/dbraw/zinc/98/79/75/826987975.db2.gz GNWHWIMDYMJVDY-ZDUSSCGKSA-N 2 2 292.383 -0.978 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266554684 827020627 /nfs/dbraw/zinc/02/06/27/827020627.db2.gz DRKZJMGXODGZET-NSHDSACASA-N 2 2 291.355 -0.555 20 30 CBEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267230661 827133510 /nfs/dbraw/zinc/13/35/10/827133510.db2.gz XVWFKGZXOZHAPI-GFCCVEGCSA-N 2 2 282.388 -0.712 20 30 CBEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267230661 827133516 /nfs/dbraw/zinc/13/35/16/827133516.db2.gz XVWFKGZXOZHAPI-GFCCVEGCSA-N 2 2 282.388 -0.712 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267230661 827133522 /nfs/dbraw/zinc/13/35/22/827133522.db2.gz XVWFKGZXOZHAPI-GFCCVEGCSA-N 2 2 282.388 -0.712 20 30 CBEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267230661 827133525 /nfs/dbraw/zinc/13/35/25/827133525.db2.gz XVWFKGZXOZHAPI-GFCCVEGCSA-N 2 2 282.388 -0.712 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267698676 827201315 /nfs/dbraw/zinc/20/13/15/827201315.db2.gz FLUOOJWZZDSKJB-ZDUSSCGKSA-N 2 2 294.399 -0.712 20 30 CBEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267698676 827201319 /nfs/dbraw/zinc/20/13/19/827201319.db2.gz FLUOOJWZZDSKJB-ZDUSSCGKSA-N 2 2 294.399 -0.712 20 30 CBEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268005716 827241160 /nfs/dbraw/zinc/24/11/60/827241160.db2.gz XLBKFARFLAQDQL-GFCCVEGCSA-N 2 2 278.356 -0.056 20 30 CBEDLP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270190404 827552810 /nfs/dbraw/zinc/55/28/10/827552810.db2.gz SBXRUVWBLMMWGH-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270190404 827552813 /nfs/dbraw/zinc/55/28/13/827552813.db2.gz SBXRUVWBLMMWGH-ZIAGYGMSSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001271381274 827698430 /nfs/dbraw/zinc/69/84/30/827698430.db2.gz ZPQBIIFXUAAWCQ-UHFFFAOYSA-N 2 2 277.368 -0.732 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001272434784 827797759 /nfs/dbraw/zinc/79/77/59/827797759.db2.gz KJXIGUKUYAKDQN-NSHDSACASA-N 2 2 250.302 -0.958 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001272434784 827797762 /nfs/dbraw/zinc/79/77/62/827797762.db2.gz KJXIGUKUYAKDQN-NSHDSACASA-N 2 2 250.302 -0.958 20 30 CBEDLP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)Cn1cc[nH+]c1 ZINC001273212904 827873258 /nfs/dbraw/zinc/87/32/58/827873258.db2.gz VPXQTKFFVKCXRQ-LLVKDONJSA-N 2 2 292.343 -0.993 20 30 CBEDLP C=C[C@H](O)C[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273881075 827936042 /nfs/dbraw/zinc/93/60/42/827936042.db2.gz IVHVKBFBZOSKRP-LBPRGKRZSA-N 2 2 283.372 -0.992 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC ZINC001275574195 828102749 /nfs/dbraw/zinc/10/27/49/828102749.db2.gz PXRGSIWUKHMABM-OLZOCXBDSA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC ZINC001275574195 828102753 /nfs/dbraw/zinc/10/27/53/828102753.db2.gz PXRGSIWUKHMABM-OLZOCXBDSA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(=O)NC ZINC001275574195 828102755 /nfs/dbraw/zinc/10/27/55/828102755.db2.gz PXRGSIWUKHMABM-OLZOCXBDSA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(=O)NC ZINC001275574195 828102758 /nfs/dbraw/zinc/10/27/58/828102758.db2.gz PXRGSIWUKHMABM-OLZOCXBDSA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC=C)C1 ZINC001278787527 828288780 /nfs/dbraw/zinc/28/87/80/828288780.db2.gz SIHJZZVNGPMZCM-GOEBONIOSA-N 2 2 291.395 -0.177 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC=C)C1 ZINC001278787527 828288786 /nfs/dbraw/zinc/28/87/86/828288786.db2.gz SIHJZZVNGPMZCM-GOEBONIOSA-N 2 2 291.395 -0.177 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC=C)C1 ZINC001278787527 828288790 /nfs/dbraw/zinc/28/87/90/828288790.db2.gz SIHJZZVNGPMZCM-GOEBONIOSA-N 2 2 291.395 -0.177 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC=C)C1 ZINC001278787527 828288795 /nfs/dbraw/zinc/28/87/95/828288795.db2.gz SIHJZZVNGPMZCM-GOEBONIOSA-N 2 2 291.395 -0.177 20 30 CBEDLP C#CCC[NH+]1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278900500 828307555 /nfs/dbraw/zinc/30/75/55/828307555.db2.gz UAWDZIQTEFWVGP-UHFFFAOYSA-N 2 2 279.384 -0.486 20 30 CBEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213376883 884778597 /nfs/dbraw/zinc/77/85/97/884778597.db2.gz MAOQZLGBZLIYBL-ZIAGYGMSSA-N 2 2 297.399 -0.597 20 30 CBEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213376883 884778604 /nfs/dbraw/zinc/77/86/04/884778604.db2.gz MAOQZLGBZLIYBL-ZIAGYGMSSA-N 2 2 297.399 -0.597 20 30 CBEDLP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001278821370 884821507 /nfs/dbraw/zinc/82/15/07/884821507.db2.gz FDMWNWZGVFTHJB-NSHDSACASA-N 2 2 264.329 -0.616 20 30 CBEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001327033306 885228550 /nfs/dbraw/zinc/22/85/50/885228550.db2.gz FELYSGKMYIUKOO-GFCCVEGCSA-N 2 2 262.313 -0.598 20 30 CBEDLP C=C[C@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001330324832 886419276 /nfs/dbraw/zinc/41/92/76/886419276.db2.gz XBKKQRNYJPKDLK-CQSZACIVSA-N 2 2 283.416 -0.081 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001330877899 886610700 /nfs/dbraw/zinc/61/07/00/886610700.db2.gz YXHXKDNEXWFHBR-QJPTWQEYSA-N 2 2 281.356 -0.214 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001330877900 886610812 /nfs/dbraw/zinc/61/08/12/886610812.db2.gz YXHXKDNEXWFHBR-SDDRHHMPSA-N 2 2 281.356 -0.214 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001331336643 886780149 /nfs/dbraw/zinc/78/01/49/886780149.db2.gz SCMSFWBXAYIWJQ-COPLHBTASA-N 2 2 281.356 -0.499 20 30 CBEDLP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001331740122 886949945 /nfs/dbraw/zinc/94/99/45/886949945.db2.gz NYWOOMVXJHZEPX-RYUDHWBXSA-N 2 2 276.340 -0.855 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001332547640 887347727 /nfs/dbraw/zinc/34/77/27/887347727.db2.gz RJIFSKPIUCHOPI-LBPRGKRZSA-N 2 2 278.356 -0.605 20 30 CBEDLP C#CC[NH2+]CCOCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001333260781 887576555 /nfs/dbraw/zinc/57/65/55/887576555.db2.gz SPKUSLGCCKKYKD-UHFFFAOYSA-N 2 2 264.329 -0.350 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC001335411534 888526476 /nfs/dbraw/zinc/52/64/76/888526476.db2.gz HBGNARIGUSYGAL-HNNXBMFYSA-N 2 2 278.400 -0.120 20 30 CBEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC001341649667 889639473 /nfs/dbraw/zinc/63/94/73/889639473.db2.gz NUECUFZUJLKMEF-ZDCRXTMVSA-N 2 2 259.313 -0.249 20 30 CBEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC001342036658 889703778 /nfs/dbraw/zinc/70/37/78/889703778.db2.gz RETATLWJKZCWKP-UWVGGRQHSA-N 2 2 261.753 -0.409 20 30 CBEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC001342036658 889703782 /nfs/dbraw/zinc/70/37/82/889703782.db2.gz RETATLWJKZCWKP-UWVGGRQHSA-N 2 2 261.753 -0.409 20 30 CBEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC001346275682 890252805 /nfs/dbraw/zinc/25/28/05/890252805.db2.gz JLTUYZNHFRDZQR-AWEZNQCLSA-N 2 2 282.384 -0.424 20 30 CBEDLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC001349822360 890901558 /nfs/dbraw/zinc/90/15/58/890901558.db2.gz HOMCZQZEOYNDTF-RYUDHWBXSA-N 2 2 296.371 -0.239 20 30 CBEDLP CC[C@H](CC#N)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001353247314 891389125 /nfs/dbraw/zinc/38/91/25/891389125.db2.gz OMWNKTSJFAISFM-OLZOCXBDSA-N 2 2 254.378 -0.123 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001354246957 891545408 /nfs/dbraw/zinc/54/54/08/891545408.db2.gz LMECEIANXOVCFK-UHFFFAOYSA-N 3 2 254.378 -0.791 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001354246957 891545422 /nfs/dbraw/zinc/54/54/22/891545422.db2.gz LMECEIANXOVCFK-UHFFFAOYSA-N 3 2 254.378 -0.791 20 30 CBEDLP C#CCC[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001507240844 921774538 /nfs/dbraw/zinc/77/45/38/921774538.db2.gz PLNXGQVURFPLNP-NSHDSACASA-N 2 2 250.302 -0.958 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001480579280 916484803 /nfs/dbraw/zinc/48/48/03/916484803.db2.gz JLYKSGZCCYWEPE-JTQLQIEISA-N 2 2 291.355 -0.896 20 30 CBEDLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC(=O)NCC#N ZINC001481862177 917006325 /nfs/dbraw/zinc/00/63/25/917006325.db2.gz SOJSYRJPTKLNNM-JTQLQIEISA-N 2 2 292.343 -0.924 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001482743827 917248333 /nfs/dbraw/zinc/24/83/33/917248333.db2.gz JYESIQMWYJKTGW-DGCLKSJQSA-N 2 2 276.340 -0.855 20 30 CBEDLP C#CC[NH2+]C[C@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482773085 917266363 /nfs/dbraw/zinc/26/63/63/917266363.db2.gz LVJBDRZIYXQUTK-RYUDHWBXSA-N 2 2 264.329 -0.466 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001482798115 917290020 /nfs/dbraw/zinc/29/00/20/917290020.db2.gz AQTMCJKLSLUDEE-SNVBAGLBSA-N 2 2 272.736 -0.298 20 30 CBEDLP C=CCC[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001482799167 917292714 /nfs/dbraw/zinc/29/27/14/917292714.db2.gz LXQDWLQCARFRLC-LLVKDONJSA-N 2 2 252.318 -0.474 20 30 CBEDLP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485395728 918111635 /nfs/dbraw/zinc/11/16/35/918111635.db2.gz PCJDGWSPVNQRJA-ZDUSSCGKSA-N 2 2 278.356 -0.031 20 30 CBEDLP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485395728 918111647 /nfs/dbraw/zinc/11/16/47/918111647.db2.gz PCJDGWSPVNQRJA-ZDUSSCGKSA-N 2 2 278.356 -0.031 20 30 CBEDLP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001485648082 918163170 /nfs/dbraw/zinc/16/31/70/918163170.db2.gz XCSFCXWABUYFKJ-RYUDHWBXSA-N 2 2 276.340 -0.209 20 30 CBEDLP C#CC[NH2+][C@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001486040289 918331082 /nfs/dbraw/zinc/33/10/82/918331082.db2.gz VFBWTKGOFNFHSA-NEPJUHHUSA-N 2 2 264.329 -0.466 20 30 CBEDLP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486037820 918332799 /nfs/dbraw/zinc/33/27/99/918332799.db2.gz VBEADHIMEKSZTC-QJPTWQEYSA-N 2 2 276.340 -0.777 20 30 CBEDLP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001491591291 919219745 /nfs/dbraw/zinc/21/97/45/919219745.db2.gz VANRTPMHSLEUTH-SNVBAGLBSA-N 2 2 279.344 -0.651 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@H](C)C(N)=O ZINC001492966979 919457828 /nfs/dbraw/zinc/45/78/28/919457828.db2.gz BLXBQMABTKJSIO-OLZOCXBDSA-N 2 2 294.399 -0.604 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@H](C)C(N)=O ZINC001492966979 919457835 /nfs/dbraw/zinc/45/78/35/919457835.db2.gz BLXBQMABTKJSIO-OLZOCXBDSA-N 2 2 294.399 -0.604 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)C(N)=O ZINC001492966979 919457842 /nfs/dbraw/zinc/45/78/42/919457842.db2.gz BLXBQMABTKJSIO-OLZOCXBDSA-N 2 2 294.399 -0.604 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)C(N)=O ZINC001492966979 919457849 /nfs/dbraw/zinc/45/78/49/919457849.db2.gz BLXBQMABTKJSIO-OLZOCXBDSA-N 2 2 294.399 -0.604 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@@H](C)C(N)=O ZINC001492966985 919457902 /nfs/dbraw/zinc/45/79/02/919457902.db2.gz BLXBQMABTKJSIO-STQMWFEESA-N 2 2 294.399 -0.604 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@@H](C)C(N)=O ZINC001492966985 919457907 /nfs/dbraw/zinc/45/79/07/919457907.db2.gz BLXBQMABTKJSIO-STQMWFEESA-N 2 2 294.399 -0.604 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)C(N)=O ZINC001492966985 919457914 /nfs/dbraw/zinc/45/79/14/919457914.db2.gz BLXBQMABTKJSIO-STQMWFEESA-N 2 2 294.399 -0.604 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@@H](C)C(N)=O ZINC001492966985 919457926 /nfs/dbraw/zinc/45/79/26/919457926.db2.gz BLXBQMABTKJSIO-STQMWFEESA-N 2 2 294.399 -0.604 20 30 CBEDLP C#CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001493357408 919528630 /nfs/dbraw/zinc/52/86/30/919528630.db2.gz GKQJYKMMOUGJHN-ZDUSSCGKSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001493357408 919528648 /nfs/dbraw/zinc/52/86/48/919528648.db2.gz GKQJYKMMOUGJHN-ZDUSSCGKSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001493357408 919528664 /nfs/dbraw/zinc/52/86/64/919528664.db2.gz GKQJYKMMOUGJHN-ZDUSSCGKSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC001493357408 919528679 /nfs/dbraw/zinc/52/86/79/919528679.db2.gz GKQJYKMMOUGJHN-ZDUSSCGKSA-N 2 2 265.357 -0.469 20 30 CBEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001497022362 920211134 /nfs/dbraw/zinc/21/11/34/920211134.db2.gz JYEOLKRCRVJQFH-LLVKDONJSA-N 2 2 266.345 -0.395 20 30 CBEDLP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001501334114 920971051 /nfs/dbraw/zinc/97/10/51/920971051.db2.gz IRJITENLZCCSMV-OAHLLOKOSA-N 2 2 290.367 -0.232 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001501334114 920971063 /nfs/dbraw/zinc/97/10/63/920971063.db2.gz IRJITENLZCCSMV-OAHLLOKOSA-N 2 2 290.367 -0.232 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107577383 351795867 /nfs/dbraw/zinc/79/58/67/351795867.db2.gz XZTBNDBORIVMAS-UWVGGRQHSA-N 2 2 252.318 -0.851 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107577376 351796280 /nfs/dbraw/zinc/79/62/80/351796280.db2.gz XZTBNDBORIVMAS-NXEZZACHSA-N 2 2 252.318 -0.851 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124559914 351855678 /nfs/dbraw/zinc/85/56/78/351855678.db2.gz NVTGKVFJFWLTEU-UWVGGRQHSA-N 2 2 254.334 -0.190 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124559914 351855679 /nfs/dbraw/zinc/85/56/79/351855679.db2.gz NVTGKVFJFWLTEU-UWVGGRQHSA-N 2 2 254.334 -0.190 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000124559713 351856044 /nfs/dbraw/zinc/85/60/44/351856044.db2.gz NVTGKVFJFWLTEU-ZJUUUORDSA-N 2 2 254.334 -0.190 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000124559713 351856048 /nfs/dbraw/zinc/85/60/48/351856048.db2.gz NVTGKVFJFWLTEU-ZJUUUORDSA-N 2 2 254.334 -0.190 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCC(=O)NC)CC1 ZINC000155241936 351950194 /nfs/dbraw/zinc/95/01/94/351950194.db2.gz MKQKXSCRSHRTND-UHFFFAOYSA-N 2 2 294.399 -0.778 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCC(=O)NC)CC1 ZINC000155241936 351950195 /nfs/dbraw/zinc/95/01/95/351950195.db2.gz MKQKXSCRSHRTND-UHFFFAOYSA-N 2 2 294.399 -0.778 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(O)CC2)CC1 ZINC000304417460 352746252 /nfs/dbraw/zinc/74/62/52/352746252.db2.gz DRWCHWDWCQHWLO-UHFFFAOYSA-N 2 2 265.357 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@@H](C)O)C(C)C)CC1 ZINC000304752632 352747702 /nfs/dbraw/zinc/74/77/02/352747702.db2.gz XYVXAZZTQGIJBD-CQSZACIVSA-N 2 2 281.400 -0.145 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@@H](C)O)C(C)C)CC1 ZINC000304752632 352747704 /nfs/dbraw/zinc/74/77/04/352747704.db2.gz XYVXAZZTQGIJBD-CQSZACIVSA-N 2 2 281.400 -0.145 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC000305721158 352749774 /nfs/dbraw/zinc/74/97/74/352749774.db2.gz ILCRUKCZTMDUIN-AWEZNQCLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(C)(C)O)CC1 ZINC000305721158 352749775 /nfs/dbraw/zinc/74/97/75/352749775.db2.gz ILCRUKCZTMDUIN-AWEZNQCLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C)[C@H]2CO)CC1 ZINC000305750960 352750672 /nfs/dbraw/zinc/75/06/72/352750672.db2.gz YZFUTNCGKBKANI-LSDHHAIUSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CO)CC1 ZINC000305750960 352750674 /nfs/dbraw/zinc/75/06/74/352750674.db2.gz YZFUTNCGKBKANI-LSDHHAIUSA-N 2 2 293.411 -0.143 20 30 CBEDLP C=C[C@@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000358962210 353651742 /nfs/dbraw/zinc/65/17/42/353651742.db2.gz XKXFKFLUPMZJMZ-LBPRGKRZSA-N 2 2 284.404 -0.142 20 30 CBEDLP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000359207344 353652252 /nfs/dbraw/zinc/65/22/52/353652252.db2.gz NYXSCLQVMTWJEK-GFCCVEGCSA-N 2 2 278.356 -0.089 20 30 CBEDLP C#CCC[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371205047 353697259 /nfs/dbraw/zinc/69/72/59/353697259.db2.gz NCXHBNOKSZOUBO-AWEZNQCLSA-N 2 2 251.374 -0.042 20 30 CBEDLP C#CCC[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371205047 353697264 /nfs/dbraw/zinc/69/72/64/353697264.db2.gz NCXHBNOKSZOUBO-AWEZNQCLSA-N 2 2 251.374 -0.042 20 30 CBEDLP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000424170649 354213954 /nfs/dbraw/zinc/21/39/54/354213954.db2.gz IOGRJLQTAINSMM-OLZOCXBDSA-N 2 2 280.372 -0.013 20 30 CBEDLP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000424170649 354213958 /nfs/dbraw/zinc/21/39/58/354213958.db2.gz IOGRJLQTAINSMM-OLZOCXBDSA-N 2 2 280.372 -0.013 20 30 CBEDLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424169632 354214562 /nfs/dbraw/zinc/21/45/62/354214562.db2.gz AGDJUDRIRZAOJH-GFCCVEGCSA-N 2 2 268.361 -0.202 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430574866 354250874 /nfs/dbraw/zinc/25/08/74/354250874.db2.gz TWDOLHBJSSKQEU-LBPRGKRZSA-N 2 2 256.350 -0.039 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCOCC2)CC1 ZINC000490778646 354447140 /nfs/dbraw/zinc/44/71/40/354447140.db2.gz IBMWUKWYXCQYFU-UHFFFAOYSA-N 2 2 265.357 -0.514 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCOCC2)CC1 ZINC000490778646 354447143 /nfs/dbraw/zinc/44/71/43/354447143.db2.gz IBMWUKWYXCQYFU-UHFFFAOYSA-N 2 2 265.357 -0.514 20 30 CBEDLP C=CCN1CC[C@H]([N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000519426532 354561443 /nfs/dbraw/zinc/56/14/43/354561443.db2.gz LJKXCRJPULGDOF-WOPDTQHZSA-N 2 2 278.356 -0.983 20 30 CBEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000582052569 355006665 /nfs/dbraw/zinc/00/66/65/355006665.db2.gz KIUSELZVAFGLKA-UTUOFQBUSA-N 2 2 268.361 -0.386 20 30 CBEDLP C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582052569 355006669 /nfs/dbraw/zinc/00/66/69/355006669.db2.gz KIUSELZVAFGLKA-UTUOFQBUSA-N 2 2 268.361 -0.386 20 30 CBEDLP N#CC1(C[C@H](O)C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000600754419 355565229 /nfs/dbraw/zinc/56/52/29/355565229.db2.gz IHVUIBXTGPCXDL-STQMWFEESA-N 2 2 294.399 -0.029 20 30 CBEDLP N#CC1(C[C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000600754419 355565231 /nfs/dbraw/zinc/56/52/31/355565231.db2.gz IHVUIBXTGPCXDL-STQMWFEESA-N 2 2 294.399 -0.029 20 30 CBEDLP C[NH+](C)CCC[N@H+](C)CCn1cc(CNCC#N)nn1 ZINC000600976971 355573741 /nfs/dbraw/zinc/57/37/41/355573741.db2.gz YCEZWOJKJWNXTF-UHFFFAOYSA-N 2 2 279.392 -0.225 20 30 CBEDLP C[NH+](C)CCC[N@@H+](C)CCn1cc(CNCC#N)nn1 ZINC000600976971 355573742 /nfs/dbraw/zinc/57/37/42/355573742.db2.gz YCEZWOJKJWNXTF-UHFFFAOYSA-N 2 2 279.392 -0.225 20 30 CBEDLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000602547858 355660310 /nfs/dbraw/zinc/66/03/10/355660310.db2.gz SSVZKVUZKQJMKB-NWDGAFQWSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000602547858 355660312 /nfs/dbraw/zinc/66/03/12/355660312.db2.gz SSVZKVUZKQJMKB-NWDGAFQWSA-N 2 2 268.361 -0.156 20 30 CBEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CC(C)(C)C#N ZINC000602989113 355690260 /nfs/dbraw/zinc/69/02/60/355690260.db2.gz DJVAPLQKEHPQCV-ZDUSSCGKSA-N 2 2 296.415 -0.007 20 30 CBEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CC(C)(C)C#N ZINC000602989113 355690262 /nfs/dbraw/zinc/69/02/62/355690262.db2.gz DJVAPLQKEHPQCV-ZDUSSCGKSA-N 2 2 296.415 -0.007 20 30 CBEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CC(C)(C)C#N ZINC000602989112 355690566 /nfs/dbraw/zinc/69/05/66/355690566.db2.gz DJVAPLQKEHPQCV-CYBMUJFWSA-N 2 2 296.415 -0.007 20 30 CBEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CC(C)(C)C#N ZINC000602989112 355690569 /nfs/dbraw/zinc/69/05/69/355690569.db2.gz DJVAPLQKEHPQCV-CYBMUJFWSA-N 2 2 296.415 -0.007 20 30 CBEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851892 355675400 /nfs/dbraw/zinc/67/54/00/355675400.db2.gz XXEAZHJSGMVCON-KKUMJFAQSA-N 2 2 298.431 -0.156 20 30 CBEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851892 355675401 /nfs/dbraw/zinc/67/54/01/355675401.db2.gz XXEAZHJSGMVCON-KKUMJFAQSA-N 2 2 298.431 -0.156 20 30 CBEDLP C=C(C)C[NH+]1CCC(Nc2nc(N)nc(N)[nH+]2)CC1 ZINC000623951328 356384212 /nfs/dbraw/zinc/38/42/12/356384212.db2.gz JMJNTHTXZBHISQ-UHFFFAOYSA-N 2 2 263.349 -0.429 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865022 356913600 /nfs/dbraw/zinc/91/36/00/356913600.db2.gz XJLLRVSUKOHUKO-LLVKDONJSA-N 2 2 255.362 -0.277 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420374092 373649149 /nfs/dbraw/zinc/64/91/49/373649149.db2.gz ZYACBUPKAQDHNF-SECBINFHSA-N 2 2 256.350 -0.039 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H](O)C2)CC1 ZINC000491713184 373704864 /nfs/dbraw/zinc/70/48/64/373704864.db2.gz YXPFVFCTIZZIHB-KGLIPLIRSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@H](O)C2)CC1 ZINC000491713184 373704871 /nfs/dbraw/zinc/70/48/71/373704871.db2.gz YXPFVFCTIZZIHB-KGLIPLIRSA-N 2 2 279.384 -0.534 20 30 CBEDLP CC[N@H+](C)C[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000519832390 373824963 /nfs/dbraw/zinc/82/49/63/373824963.db2.gz RIKIYNCFCQUKFX-OAHLLOKOSA-N 2 2 298.431 -0.153 20 30 CBEDLP CC[N@@H+](C)C[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000519832390 373824968 /nfs/dbraw/zinc/82/49/68/373824968.db2.gz RIKIYNCFCQUKFX-OAHLLOKOSA-N 2 2 298.431 -0.153 20 30 CBEDLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)CN(C)CCC#N)n1C ZINC000515638085 373793253 /nfs/dbraw/zinc/79/32/53/373793253.db2.gz PZBFASFZMIAODU-ZDUSSCGKSA-N 2 2 294.403 -0.218 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253176873 220242735 /nfs/dbraw/zinc/24/27/35/220242735.db2.gz AMFYCKIPZTUTBE-GHMZBOCLSA-N 2 2 268.361 -0.085 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253176873 220242740 /nfs/dbraw/zinc/24/27/40/220242740.db2.gz AMFYCKIPZTUTBE-GHMZBOCLSA-N 2 2 268.361 -0.085 20 30 CBEDLP C#CCNC(=[NH+]C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261965353 220246662 /nfs/dbraw/zinc/24/66/62/220246662.db2.gz LJMJLNBYTFXFNK-UHFFFAOYSA-N 2 2 279.388 -0.709 20 30 CBEDLP [NH2+]=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCOCC1 ZINC000262721844 220255976 /nfs/dbraw/zinc/25/59/76/220255976.db2.gz WAJWZDIFKSZLIP-GFCCVEGCSA-N 2 2 268.361 -0.504 20 30 CBEDLP [NH2+]=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCOCC1 ZINC000262721844 220255979 /nfs/dbraw/zinc/25/59/79/220255979.db2.gz WAJWZDIFKSZLIP-GFCCVEGCSA-N 2 2 268.361 -0.504 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266882654 190287005 /nfs/dbraw/zinc/28/70/05/190287005.db2.gz ATHRIPOMROUARJ-LBPRGKRZSA-N 2 2 275.356 -0.320 20 30 CBEDLP C=CCN1CC[C@H]([NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1=O ZINC000281153596 220282842 /nfs/dbraw/zinc/28/28/42/220282842.db2.gz BMLRYOAWXDWZPW-ZDUSSCGKSA-N 2 2 294.399 -0.521 20 30 CBEDLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000329884238 220345956 /nfs/dbraw/zinc/34/59/56/220345956.db2.gz SEGNBHNUUCRHEH-LBPRGKRZSA-N 2 2 298.387 -0.562 20 30 CBEDLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000329884238 220345958 /nfs/dbraw/zinc/34/59/58/220345958.db2.gz SEGNBHNUUCRHEH-LBPRGKRZSA-N 2 2 298.387 -0.562 20 30 CBEDLP CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000330707584 220360460 /nfs/dbraw/zinc/36/04/60/220360460.db2.gz UYYSXOCHPYSIPA-UHFFFAOYSA-N 2 2 285.392 -0.832 20 30 CBEDLP CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000330707584 220360462 /nfs/dbraw/zinc/36/04/62/220360462.db2.gz UYYSXOCHPYSIPA-UHFFFAOYSA-N 2 2 285.392 -0.832 20 30 CBEDLP C=C[C@H](CO)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000662163803 419555208 /nfs/dbraw/zinc/55/52/08/419555208.db2.gz LLLVRZDGHUFVKX-GFCCVEGCSA-N 2 2 285.388 -0.650 20 30 CBEDLP C#C[C@@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000491416724 420311900 /nfs/dbraw/zinc/31/19/00/420311900.db2.gz LIBYXPRQHQEHAC-CYBMUJFWSA-N 2 2 265.357 -0.516 20 30 CBEDLP C#C[C@@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000491416724 420311905 /nfs/dbraw/zinc/31/19/05/420311905.db2.gz LIBYXPRQHQEHAC-CYBMUJFWSA-N 2 2 265.357 -0.516 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CC[C@H](O)CC2)CC1 ZINC000490738422 261194890 /nfs/dbraw/zinc/19/48/90/261194890.db2.gz ACHPUFANAYFKST-SHTZXODSSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CC[C@H](O)CC2)CC1 ZINC000490738422 261194892 /nfs/dbraw/zinc/19/48/92/261194892.db2.gz ACHPUFANAYFKST-SHTZXODSSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000490899270 261241452 /nfs/dbraw/zinc/24/14/52/261241452.db2.gz NWCKZAXUNHULBX-LSDHHAIUSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000490899270 261241455 /nfs/dbraw/zinc/24/14/55/261241455.db2.gz NWCKZAXUNHULBX-LSDHHAIUSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000491045471 261309485 /nfs/dbraw/zinc/30/94/85/261309485.db2.gz LKSVTELIEAYABH-GFCCVEGCSA-N 2 2 275.356 -0.162 20 30 CBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000374186749 275384154 /nfs/dbraw/zinc/38/41/54/275384154.db2.gz GGSHSKPMVCRAHN-UONOGXRCSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000374186749 275384155 /nfs/dbraw/zinc/38/41/55/275384155.db2.gz GGSHSKPMVCRAHN-UONOGXRCSA-N 2 2 279.384 -0.222 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420372647 277866977 /nfs/dbraw/zinc/86/69/77/277866977.db2.gz QHRSBVZNWYDCNV-HOSYDEDBSA-N 2 2 268.361 -0.026 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(CO)CCCC2)CC1 ZINC000305225559 332987493 /nfs/dbraw/zinc/98/74/93/332987493.db2.gz KLWYNTBZWAOWAA-UHFFFAOYSA-N 2 2 279.384 -0.342 20 30 CBEDLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](C[NH3+])C1 ZINC000580433993 330132463 /nfs/dbraw/zinc/13/24/63/330132463.db2.gz LQRCXMKHADOVSZ-TUAOUCFPSA-N 2 2 265.361 -0.037 20 30 CBEDLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](C[NH3+])C1 ZINC000580433993 330132464 /nfs/dbraw/zinc/13/24/64/330132464.db2.gz LQRCXMKHADOVSZ-TUAOUCFPSA-N 2 2 265.361 -0.037 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC2(CO)CC2)CC1 ZINC000490721307 332109207 /nfs/dbraw/zinc/10/92/07/332109207.db2.gz WERGYWFFFCFKBX-UHFFFAOYSA-N 2 2 279.384 -0.532 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC2(CO)CC2)CC1 ZINC000490721307 332109209 /nfs/dbraw/zinc/10/92/09/332109209.db2.gz WERGYWFFFCFKBX-UHFFFAOYSA-N 2 2 279.384 -0.532 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000490779874 332115058 /nfs/dbraw/zinc/11/50/58/332115058.db2.gz BTASQFCPKGMJDM-ZDUSSCGKSA-N 2 2 294.399 -0.922 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000490779874 332115060 /nfs/dbraw/zinc/11/50/60/332115060.db2.gz BTASQFCPKGMJDM-ZDUSSCGKSA-N 2 2 294.399 -0.922 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000490781189 332115531 /nfs/dbraw/zinc/11/55/31/332115531.db2.gz YCKMRMIMQPOSNC-OAHLLOKOSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)C(C)C)CC1 ZINC000491037240 332141129 /nfs/dbraw/zinc/14/11/29/332141129.db2.gz CJEXGOFNYZNVAO-AWEZNQCLSA-N 2 2 281.400 -0.240 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H](C)OC)CC1 ZINC000491070343 332145542 /nfs/dbraw/zinc/14/55/42/332145542.db2.gz AZMIGQDXHXELQQ-CYBMUJFWSA-N 2 2 267.373 -0.270 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H](C)OC)CC1 ZINC000491070343 332145543 /nfs/dbraw/zinc/14/55/43/332145543.db2.gz AZMIGQDXHXELQQ-CYBMUJFWSA-N 2 2 267.373 -0.270 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000491070604 332145993 /nfs/dbraw/zinc/14/59/93/332145993.db2.gz DHYVKIMZUNVVIU-OAHLLOKOSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000491070604 332145995 /nfs/dbraw/zinc/14/59/95/332145995.db2.gz DHYVKIMZUNVVIU-OAHLLOKOSA-N 2 2 292.427 -0.210 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000491165029 332159251 /nfs/dbraw/zinc/15/92/51/332159251.db2.gz HWXCWIMAWGWNJH-OAHLLOKOSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000491165029 332159252 /nfs/dbraw/zinc/15/92/52/332159252.db2.gz HWXCWIMAWGWNJH-OAHLLOKOSA-N 2 2 292.427 -0.162 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](CC)CO)CC1 ZINC000491646633 332263622 /nfs/dbraw/zinc/26/36/22/332263622.db2.gz UGKUOLAOSXYGGM-ZDUSSCGKSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](CC)CO)CC1 ZINC000491646633 332263624 /nfs/dbraw/zinc/26/36/24/332263624.db2.gz UGKUOLAOSXYGGM-ZDUSSCGKSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000491672165 332278959 /nfs/dbraw/zinc/27/89/59/332278959.db2.gz OUDWNEZHJBDBJM-CYBMUJFWSA-N 3 2 281.404 -0.774 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000491672165 332278961 /nfs/dbraw/zinc/27/89/61/332278961.db2.gz OUDWNEZHJBDBJM-CYBMUJFWSA-N 3 2 281.404 -0.774 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000491672165 332278962 /nfs/dbraw/zinc/27/89/62/332278962.db2.gz OUDWNEZHJBDBJM-CYBMUJFWSA-N 3 2 281.404 -0.774 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000491672165 332278964 /nfs/dbraw/zinc/27/89/64/332278964.db2.gz OUDWNEZHJBDBJM-CYBMUJFWSA-N 3 2 281.404 -0.774 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)CC1 ZINC000491703601 332297655 /nfs/dbraw/zinc/29/76/55/332297655.db2.gz HXHPHCFZXJGANR-KBPBESRZSA-N 2 2 293.411 -0.003 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@@H](C)CO)CC1 ZINC000491745621 332323575 /nfs/dbraw/zinc/32/35/75/332323575.db2.gz UBIIGYWARSENHI-STQMWFEESA-N 2 2 267.373 -0.630 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2COCC2(C)C)CC1 ZINC000491754924 332329717 /nfs/dbraw/zinc/32/97/17/332329717.db2.gz WMYGWJIPPMNKLU-ZDUSSCGKSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CCC[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000725716373 582135318 /nfs/dbraw/zinc/13/53/18/582135318.db2.gz SFLCQRWXPBXZGK-UHFFFAOYSA-N 2 2 279.384 -0.124 20 30 CBEDLP C[NH+]1CCC(C#N)(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC000725884550 582135815 /nfs/dbraw/zinc/13/58/15/582135815.db2.gz BYJGXKVUYKKARI-UHFFFAOYSA-N 2 2 280.372 -0.187 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000730286004 582150101 /nfs/dbraw/zinc/15/01/01/582150101.db2.gz AANMKLMHUAWIQF-CABCVRRESA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000730286004 582150102 /nfs/dbraw/zinc/15/01/02/582150102.db2.gz AANMKLMHUAWIQF-CABCVRRESA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000732149431 582156802 /nfs/dbraw/zinc/15/68/02/582156802.db2.gz ISTFMQFEUNBHDM-KGLIPLIRSA-N 2 2 278.400 -0.554 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000732149431 582156803 /nfs/dbraw/zinc/15/68/03/582156803.db2.gz ISTFMQFEUNBHDM-KGLIPLIRSA-N 2 2 278.400 -0.554 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000732149431 582156804 /nfs/dbraw/zinc/15/68/04/582156804.db2.gz ISTFMQFEUNBHDM-KGLIPLIRSA-N 2 2 278.400 -0.554 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000732149431 582156805 /nfs/dbraw/zinc/15/68/05/582156805.db2.gz ISTFMQFEUNBHDM-KGLIPLIRSA-N 2 2 278.400 -0.554 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000734487866 582170458 /nfs/dbraw/zinc/17/04/58/582170458.db2.gz XRTCFERUZZUVPJ-GJZGRUSLSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000734487866 582170459 /nfs/dbraw/zinc/17/04/59/582170459.db2.gz XRTCFERUZZUVPJ-GJZGRUSLSA-N 2 2 292.427 -0.164 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000734486811 582170532 /nfs/dbraw/zinc/17/05/32/582170532.db2.gz JIZMPDYAVXITBW-AWEZNQCLSA-N 2 2 278.400 -0.552 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000734486811 582170533 /nfs/dbraw/zinc/17/05/33/582170533.db2.gz JIZMPDYAVXITBW-AWEZNQCLSA-N 2 2 278.400 -0.552 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000734486812 582170609 /nfs/dbraw/zinc/17/06/09/582170609.db2.gz JIZMPDYAVXITBW-CQSZACIVSA-N 2 2 278.400 -0.552 20 30 CBEDLP C#CCNC(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000734486812 582170611 /nfs/dbraw/zinc/17/06/11/582170611.db2.gz JIZMPDYAVXITBW-CQSZACIVSA-N 2 2 278.400 -0.552 20 30 CBEDLP C[NH+]1CCN(c2ncc(C=[NH+]N3CCOCC3)cn2)CC1 ZINC000755491489 582301638 /nfs/dbraw/zinc/30/16/38/582301638.db2.gz OIXKEWJOZPNQAM-UHFFFAOYSA-N 2 2 290.371 -0.106 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000762715010 582317979 /nfs/dbraw/zinc/31/79/79/582317979.db2.gz DVRQHVFPGPXOJE-JSGCOSHPSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000762715010 582317980 /nfs/dbraw/zinc/31/79/80/582317980.db2.gz DVRQHVFPGPXOJE-JSGCOSHPSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000762715010 582317981 /nfs/dbraw/zinc/31/79/81/582317981.db2.gz DVRQHVFPGPXOJE-JSGCOSHPSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000762715010 582317982 /nfs/dbraw/zinc/31/79/82/582317982.db2.gz DVRQHVFPGPXOJE-JSGCOSHPSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000775806649 582353383 /nfs/dbraw/zinc/35/33/83/582353383.db2.gz MJNOFCURYCQFTN-CHWSQXEVSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CCC[NH+]1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000776593372 582355507 /nfs/dbraw/zinc/35/55/07/582355507.db2.gz UOXGDGISPLGMCJ-UHFFFAOYSA-N 2 2 278.400 -0.599 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000822952613 582654166 /nfs/dbraw/zinc/65/41/66/582654166.db2.gz VJWQTJIGMQSYFZ-GFCCVEGCSA-N 2 2 255.362 -0.059 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000822952613 582654168 /nfs/dbraw/zinc/65/41/68/582654168.db2.gz VJWQTJIGMQSYFZ-GFCCVEGCSA-N 2 2 255.362 -0.059 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830625308 582935987 /nfs/dbraw/zinc/93/59/87/582935987.db2.gz CTOYRCOVHLQVEG-UHFFFAOYSA-N 2 2 265.357 -0.468 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830625308 582935991 /nfs/dbraw/zinc/93/59/91/582935991.db2.gz CTOYRCOVHLQVEG-UHFFFAOYSA-N 2 2 265.357 -0.468 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000846676760 583382516 /nfs/dbraw/zinc/38/25/16/583382516.db2.gz GKXNZMMXWIPROH-ZYHUDNBSSA-N 2 2 273.340 -0.010 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000848419650 583445893 /nfs/dbraw/zinc/44/58/93/583445893.db2.gz ZXXOLACFVKNNRN-HBNTYKKESA-N 2 2 259.313 -0.327 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000852584815 583549283 /nfs/dbraw/zinc/54/92/83/583549283.db2.gz RTQOPHWWYZQTNH-KGLIPLIRSA-N 2 2 291.395 -0.343 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@H](CO)C2)CC1 ZINC000856792043 583661075 /nfs/dbraw/zinc/66/10/75/583661075.db2.gz XMGONFBWXQEUFM-GJZGRUSLSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@H](CO)C2)CC1 ZINC000856792043 583661077 /nfs/dbraw/zinc/66/10/77/583661077.db2.gz XMGONFBWXQEUFM-GJZGRUSLSA-N 2 2 293.411 -0.286 20 30 CBEDLP C=CCS(=O)(=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863554099 583846777 /nfs/dbraw/zinc/84/67/77/583846777.db2.gz RIDZXOCQIAIUCJ-LBPRGKRZSA-N 2 2 276.402 -0.367 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876802814 584146702 /nfs/dbraw/zinc/14/67/02/584146702.db2.gz SKLQVLSARXZSDL-VHYYUZIWSA-N 2 2 264.329 -0.897 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C[C@H]2CO)CC1 ZINC000879146379 584227764 /nfs/dbraw/zinc/22/77/64/584227764.db2.gz DCPJVYGPQLXFHZ-CABCVRRESA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2CO)CC1 ZINC000879146379 584227766 /nfs/dbraw/zinc/22/77/66/584227766.db2.gz DCPJVYGPQLXFHZ-CABCVRRESA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CCC1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000880483716 584275521 /nfs/dbraw/zinc/27/55/21/584275521.db2.gz JRZMRVNKDZQOSX-AWEZNQCLSA-N 2 2 284.400 -0.224 20 30 CBEDLP C#CCC1(O)CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000880483716 584275524 /nfs/dbraw/zinc/27/55/24/584275524.db2.gz JRZMRVNKDZQOSX-AWEZNQCLSA-N 2 2 284.400 -0.224 20 30 CBEDLP C#CCC[NH+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000881811767 584297708 /nfs/dbraw/zinc/29/77/08/584297708.db2.gz ONKILYPXHLAOOH-UHFFFAOYSA-N 2 2 296.396 -0.146 20 30 CBEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883422513 584341436 /nfs/dbraw/zinc/34/14/36/584341436.db2.gz PKJKERZPZJUGNO-STQMWFEESA-N 2 2 284.379 -0.394 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000884016734 584355884 /nfs/dbraw/zinc/35/58/84/584355884.db2.gz CWDONQVUHKRUGS-QWRGUYRKSA-N 2 2 269.345 -0.451 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000884030361 584356604 /nfs/dbraw/zinc/35/66/04/584356604.db2.gz MUQKYUTWDATQLT-AXFHLTTASA-N 2 2 269.345 -0.358 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000884192619 584365061 /nfs/dbraw/zinc/36/50/61/584365061.db2.gz KBOCLWNWHSFZBJ-QWRGUYRKSA-N 2 2 269.345 -0.499 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000884192619 584365064 /nfs/dbraw/zinc/36/50/64/584365064.db2.gz KBOCLWNWHSFZBJ-QWRGUYRKSA-N 2 2 269.345 -0.499 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000884194095 584365099 /nfs/dbraw/zinc/36/50/99/584365099.db2.gz YYGHPVUCFMWHEM-QWRGUYRKSA-N 2 2 280.328 -0.166 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)[NH+](C)C ZINC000884199235 584365512 /nfs/dbraw/zinc/36/55/12/584365512.db2.gz TWPVJKBVBFQJGF-ZJUUUORDSA-N 2 2 257.334 -0.501 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000884199421 584365656 /nfs/dbraw/zinc/36/56/56/584365656.db2.gz YMWWUPOZRWQDDO-QWRGUYRKSA-N 2 2 269.345 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000884199421 584365658 /nfs/dbraw/zinc/36/56/58/584365658.db2.gz YMWWUPOZRWQDDO-QWRGUYRKSA-N 2 2 269.345 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1=CC[NH2+]CC1 ZINC000884253889 584370493 /nfs/dbraw/zinc/37/04/93/584370493.db2.gz YHSNGXGILXXRPZ-NSHDSACASA-N 2 2 267.329 -0.531 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000884272946 584371262 /nfs/dbraw/zinc/37/12/62/584371262.db2.gz GUFVQPNJXRDGKX-AXFHLTTASA-N 2 2 269.345 -0.310 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000884282754 584372029 /nfs/dbraw/zinc/37/20/29/584372029.db2.gz OXVLBHBVYFBKPE-DCAQKATOSA-N 2 2 287.335 -0.409 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000884286242 584372126 /nfs/dbraw/zinc/37/21/26/584372126.db2.gz AFWNJDHAGSGYCL-MRBYEJRBSA-N 2 2 283.372 -0.064 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000884304503 584372982 /nfs/dbraw/zinc/37/29/82/584372982.db2.gz QXACMFVCIJBZFM-VWYCJHECSA-N 2 2 267.329 -0.747 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000884345147 584375689 /nfs/dbraw/zinc/37/56/89/584375689.db2.gz XPPUDXKQOZGSGC-FZMZJTMJSA-N 2 2 281.356 -0.213 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000884418639 584380390 /nfs/dbraw/zinc/38/03/90/584380390.db2.gz PYFOZFIKQFJGNS-KXUCPTDWSA-N 2 2 273.308 -0.669 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000884422482 584380709 /nfs/dbraw/zinc/38/07/09/584380709.db2.gz XWKMIBOWIZQIKJ-CABZTGNLSA-N 2 2 255.318 -0.699 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000884430950 584380993 /nfs/dbraw/zinc/38/09/93/584380993.db2.gz HHBKKTVKNLWTSL-QWRGUYRKSA-N 2 2 281.356 -0.166 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000884438093 584381817 /nfs/dbraw/zinc/38/18/17/584381817.db2.gz UKSXBVRZNSERNG-MXWKQRLJSA-N 2 2 269.345 -0.310 20 30 CBEDLP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980893193 613004954 /nfs/dbraw/zinc/00/49/54/613004954.db2.gz HZFMCWYDZIPGBQ-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893193 613004955 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297.374 -0.395 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001077158629 805691953 /nfs/dbraw/zinc/69/19/53/805691953.db2.gz PCDNZMOCTOLGEM-HZSPNIEDSA-N 2 2 297.374 -0.395 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1O ZINC001077158629 805691957 /nfs/dbraw/zinc/69/19/57/805691957.db2.gz PCDNZMOCTOLGEM-HZSPNIEDSA-N 2 2 297.374 -0.395 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@H]1O ZINC001077158936 805692074 /nfs/dbraw/zinc/69/20/74/805692074.db2.gz FTARBSYFQWMZQU-QLFBSQMISA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O ZINC001077158936 805692080 /nfs/dbraw/zinc/69/20/80/805692080.db2.gz FTARBSYFQWMZQU-QLFBSQMISA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(C)C)C[C@H]1O ZINC001077158936 805692083 /nfs/dbraw/zinc/69/20/83/805692083.db2.gz FTARBSYFQWMZQU-QLFBSQMISA-N 2 2 293.411 -0.099 20 30 CBEDLP 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ZINC001077684797 805769419 /nfs/dbraw/zinc/76/94/19/805769419.db2.gz XLWKGUBPTYCCDC-CHWSQXEVSA-N 2 2 279.384 -0.487 20 30 CBEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077684797 805769425 /nfs/dbraw/zinc/76/94/25/805769425.db2.gz XLWKGUBPTYCCDC-CHWSQXEVSA-N 2 2 279.384 -0.487 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077684797 805769432 /nfs/dbraw/zinc/76/94/32/805769432.db2.gz XLWKGUBPTYCCDC-CHWSQXEVSA-N 2 2 279.384 -0.487 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077684797 805769438 /nfs/dbraw/zinc/76/94/38/805769438.db2.gz XLWKGUBPTYCCDC-CHWSQXEVSA-N 2 2 279.384 -0.487 20 30 CBEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078178772 805850543 /nfs/dbraw/zinc/85/05/43/805850543.db2.gz CFLFUOQKVFJJFY-CHWSQXEVSA-N 2 2 267.373 -0.180 20 30 CBEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078178772 805850553 /nfs/dbraw/zinc/85/05/53/805850553.db2.gz CFLFUOQKVFJJFY-CHWSQXEVSA-N 2 2 267.373 -0.180 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001082327487 806164136 /nfs/dbraw/zinc/16/41/36/806164136.db2.gz WVUKPGARDMNUAQ-ZIAGYGMSSA-N 2 2 290.367 -0.199 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001082327487 806164141 /nfs/dbraw/zinc/16/41/41/806164141.db2.gz WVUKPGARDMNUAQ-ZIAGYGMSSA-N 2 2 290.367 -0.199 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083119410 806231938 /nfs/dbraw/zinc/23/19/38/806231938.db2.gz RCUSSWKIRNYNMV-HZSPNIEDSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083119410 806231942 /nfs/dbraw/zinc/23/19/42/806231942.db2.gz RCUSSWKIRNYNMV-HZSPNIEDSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)C34CC[NH+](CC3)C4)[C@H]2C1 ZINC001083248914 806241292 /nfs/dbraw/zinc/24/12/92/806241292.db2.gz DAICYWCJDBZDEJ-UONOGXRCSA-N 2 2 289.379 -0.373 20 30 CBEDLP 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ZINC001083472901 806337612 /nfs/dbraw/zinc/33/76/12/806337612.db2.gz WNVUZJNDEMIGKX-LPWJVIDDSA-N 2 2 265.357 -0.879 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472901 806337584 /nfs/dbraw/zinc/33/75/84/806337584.db2.gz WNVUZJNDEMIGKX-LPWJVIDDSA-N 2 2 265.357 -0.879 20 30 CBEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472901 806337592 /nfs/dbraw/zinc/33/75/92/806337592.db2.gz WNVUZJNDEMIGKX-LPWJVIDDSA-N 2 2 265.357 -0.879 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472901 806337602 /nfs/dbraw/zinc/33/76/02/806337602.db2.gz WNVUZJNDEMIGKX-LPWJVIDDSA-N 2 2 265.357 -0.879 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572030 806366753 /nfs/dbraw/zinc/36/67/53/806366753.db2.gz XNCROCFRGDMSGY-MCIONIFRSA-N 2 2 279.384 -0.345 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572030 806366760 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QMJJPJINGIXZMU-QLFBSQMISA-N 2 2 291.395 -0.345 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668426 806398080 /nfs/dbraw/zinc/39/80/80/806398080.db2.gz QMJJPJINGIXZMU-QLFBSQMISA-N 2 2 291.395 -0.345 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725495 806413627 /nfs/dbraw/zinc/41/36/27/806413627.db2.gz FUMYQURNDOYNHN-RDBSUJKOSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725495 806413632 /nfs/dbraw/zinc/41/36/32/806413632.db2.gz FUMYQURNDOYNHN-RDBSUJKOSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725495 806413638 /nfs/dbraw/zinc/41/36/38/806413638.db2.gz FUMYQURNDOYNHN-RDBSUJKOSA-N 2 2 297.399 -0.557 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725495 806413643 /nfs/dbraw/zinc/41/36/43/806413643.db2.gz FUMYQURNDOYNHN-RDBSUJKOSA-N 2 2 297.399 -0.557 20 30 CBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782941 806431900 /nfs/dbraw/zinc/43/19/00/806431900.db2.gz SQCPPFQIBDCMNC-KGLIPLIRSA-N 2 2 293.411 -0.097 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782941 806431907 /nfs/dbraw/zinc/43/19/07/806431907.db2.gz SQCPPFQIBDCMNC-KGLIPLIRSA-N 2 2 293.411 -0.097 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782941 806431913 /nfs/dbraw/zinc/43/19/13/806431913.db2.gz SQCPPFQIBDCMNC-KGLIPLIRSA-N 2 2 293.411 -0.097 20 30 CBEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001083782941 806431919 /nfs/dbraw/zinc/43/19/19/806431919.db2.gz SQCPPFQIBDCMNC-KGLIPLIRSA-N 2 2 293.411 -0.097 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085670357 806591266 /nfs/dbraw/zinc/59/12/66/806591266.db2.gz VCPKDYCLIQZLKA-MGPQQGTHSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085670357 806591284 /nfs/dbraw/zinc/59/12/84/806591284.db2.gz VCPKDYCLIQZLKA-MGPQQGTHSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085670357 806591290 /nfs/dbraw/zinc/59/12/90/806591290.db2.gz VCPKDYCLIQZLKA-MGPQQGTHSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085670357 806591299 /nfs/dbraw/zinc/59/12/99/806591299.db2.gz VCPKDYCLIQZLKA-MGPQQGTHSA-N 2 2 279.384 -0.129 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001027804759 799082868 /nfs/dbraw/zinc/08/28/68/799082868.db2.gz HKPNEGNKIJIGJF-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001027804759 799082872 /nfs/dbraw/zinc/08/28/72/799082872.db2.gz HKPNEGNKIJIGJF-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027804759 799082877 /nfs/dbraw/zinc/08/28/77/799082877.db2.gz HKPNEGNKIJIGJF-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001027804759 799082884 /nfs/dbraw/zinc/08/28/84/799082884.db2.gz HKPNEGNKIJIGJF-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966828 799098064 /nfs/dbraw/zinc/09/80/64/799098064.db2.gz WAJNAAYMCGLHHV-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966828 799098051 /nfs/dbraw/zinc/09/80/51/799098051.db2.gz WAJNAAYMCGLHHV-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966828 799098058 /nfs/dbraw/zinc/09/80/58/799098058.db2.gz WAJNAAYMCGLHHV-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966828 799098070 /nfs/dbraw/zinc/09/80/70/799098070.db2.gz WAJNAAYMCGLHHV-MGPQQGTHSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001028329186 799122685 /nfs/dbraw/zinc/12/26/85/799122685.db2.gz HXTPRLQEWRDBEI-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001028329186 799122688 /nfs/dbraw/zinc/12/26/88/799122688.db2.gz HXTPRLQEWRDBEI-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329186 799122692 /nfs/dbraw/zinc/12/26/92/799122692.db2.gz HXTPRLQEWRDBEI-KGLIPLIRSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001030330191 799297695 /nfs/dbraw/zinc/29/76/95/799297695.db2.gz RWYRWZHNPCFYNJ-UHFFFAOYSA-N 2 2 289.383 -0.118 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030347216 799301399 /nfs/dbraw/zinc/30/13/99/799301399.db2.gz IRBWJSUTFQSGNP-KBPBESRZSA-N 2 2 277.368 -0.327 20 30 CBEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030347216 799301406 /nfs/dbraw/zinc/30/14/06/799301406.db2.gz IRBWJSUTFQSGNP-KBPBESRZSA-N 2 2 277.368 -0.327 20 30 CBEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032976760 799699042 /nfs/dbraw/zinc/69/90/42/799699042.db2.gz QMVJLLIEPOMEBO-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032976760 799699044 /nfs/dbraw/zinc/69/90/44/799699044.db2.gz QMVJLLIEPOMEBO-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032976760 799699046 /nfs/dbraw/zinc/69/90/46/799699046.db2.gz QMVJLLIEPOMEBO-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032976760 799699051 /nfs/dbraw/zinc/69/90/51/799699051.db2.gz QMVJLLIEPOMEBO-ZIAGYGMSSA-N 2 2 279.384 -0.127 20 30 CBEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038537814 800126376 /nfs/dbraw/zinc/12/63/76/800126376.db2.gz TYQKLJIGFJJPMU-WJEHIRDRSA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038537814 800126379 /nfs/dbraw/zinc/12/63/79/800126379.db2.gz TYQKLJIGFJJPMU-WJEHIRDRSA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038537814 800126383 /nfs/dbraw/zinc/12/63/83/800126383.db2.gz TYQKLJIGFJJPMU-WJEHIRDRSA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038537814 800126384 /nfs/dbraw/zinc/12/63/84/800126384.db2.gz TYQKLJIGFJJPMU-WJEHIRDRSA-N 2 2 289.379 -0.327 20 30 CBEDLP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046218478 801740607 /nfs/dbraw/zinc/74/06/07/801740607.db2.gz JONUMTRLPCFNJD-OCCSQVGLSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046218478 801740611 /nfs/dbraw/zinc/74/06/11/801740611.db2.gz JONUMTRLPCFNJD-OCCSQVGLSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046218478 801740617 /nfs/dbraw/zinc/74/06/17/801740617.db2.gz JONUMTRLPCFNJD-OCCSQVGLSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046218478 801740625 /nfs/dbraw/zinc/74/06/25/801740625.db2.gz JONUMTRLPCFNJD-OCCSQVGLSA-N 2 2 265.357 -0.469 20 30 CBEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047322561 801834132 /nfs/dbraw/zinc/83/41/32/801834132.db2.gz QPLBBWWROBDZNX-AGIUHOORSA-N 2 2 267.373 -0.230 20 30 CBEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047322561 801834139 /nfs/dbraw/zinc/83/41/39/801834139.db2.gz QPLBBWWROBDZNX-AGIUHOORSA-N 2 2 267.373 -0.230 20 30 CBEDLP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001047322561 801834147 /nfs/dbraw/zinc/83/41/47/801834147.db2.gz QPLBBWWROBDZNX-AGIUHOORSA-N 2 2 267.373 -0.230 20 30 CBEDLP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001047322561 801834154 /nfs/dbraw/zinc/83/41/54/801834154.db2.gz QPLBBWWROBDZNX-AGIUHOORSA-N 2 2 267.373 -0.230 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC)C[C@@H]1O ZINC001047415235 801865347 /nfs/dbraw/zinc/86/53/47/801865347.db2.gz OWSFARNUPZNBNA-IHRRRGAJSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC)C[C@@H]1O ZINC001047415235 801865357 /nfs/dbraw/zinc/86/53/57/801865357.db2.gz OWSFARNUPZNBNA-IHRRRGAJSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC)C[C@@H]1O ZINC001047415235 801865365 /nfs/dbraw/zinc/86/53/65/801865365.db2.gz OWSFARNUPZNBNA-IHRRRGAJSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC)C[C@@H]1O ZINC001047415235 801865373 /nfs/dbraw/zinc/86/53/73/801865373.db2.gz OWSFARNUPZNBNA-IHRRRGAJSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](C(C)C)C[C@@H]1O ZINC001047415174 801866112 /nfs/dbraw/zinc/86/61/12/801866112.db2.gz KSHVGGPCGDIDQR-KKUMJFAQSA-N 2 2 293.411 -0.004 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C(C)C)C[C@@H]1O ZINC001047415174 801866118 /nfs/dbraw/zinc/86/61/18/801866118.db2.gz KSHVGGPCGDIDQR-KKUMJFAQSA-N 2 2 293.411 -0.004 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C(C)C)C[C@@H]1O ZINC001047415174 801866125 /nfs/dbraw/zinc/86/61/25/801866125.db2.gz KSHVGGPCGDIDQR-KKUMJFAQSA-N 2 2 293.411 -0.004 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C(C)C)C[C@@H]1O ZINC001047415174 801866131 /nfs/dbraw/zinc/86/61/31/801866131.db2.gz KSHVGGPCGDIDQR-KKUMJFAQSA-N 2 2 293.411 -0.004 20 30 CBEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047430589 801870615 /nfs/dbraw/zinc/87/06/15/801870615.db2.gz JIRKZNHDISOBIY-IHRRRGAJSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001047430589 801870617 /nfs/dbraw/zinc/87/06/17/801870617.db2.gz JIRKZNHDISOBIY-IHRRRGAJSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001047430589 801870621 /nfs/dbraw/zinc/87/06/21/801870621.db2.gz JIRKZNHDISOBIY-IHRRRGAJSA-N 2 2 279.384 -0.393 20 30 CBEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001047430589 801870622 /nfs/dbraw/zinc/87/06/22/801870622.db2.gz JIRKZNHDISOBIY-IHRRRGAJSA-N 2 2 279.384 -0.393 20 30 CBEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047598059 801908718 /nfs/dbraw/zinc/90/87/18/801908718.db2.gz SKKMMNZCZDHHQP-STQMWFEESA-N 2 2 278.356 -0.348 20 30 CBEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047598059 801908723 /nfs/dbraw/zinc/90/87/23/801908723.db2.gz SKKMMNZCZDHHQP-STQMWFEESA-N 2 2 278.356 -0.348 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001321661474 803797684 /nfs/dbraw/zinc/79/76/84/803797684.db2.gz MEFNEYDNDFDRBU-GHMZBOCLSA-N 2 2 293.371 -0.263 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149123504 814971507 /nfs/dbraw/zinc/97/15/07/814971507.db2.gz JTKMRUQNDSXRDE-UHFFFAOYSA-N 2 2 264.329 -0.384 20 30 CBEDLP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001325873225 804329384 /nfs/dbraw/zinc/32/93/84/804329384.db2.gz FJPMUMKSXXOLBZ-HNNXBMFYSA-N 2 2 290.367 -0.151 20 30 CBEDLP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001325873225 804329392 /nfs/dbraw/zinc/32/93/92/804329392.db2.gz FJPMUMKSXXOLBZ-HNNXBMFYSA-N 2 2 290.367 -0.151 20 30 CBEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643912 805519243 /nfs/dbraw/zinc/51/92/43/805519243.db2.gz PDVWJQDXCLSCRA-RRFJBIMHSA-N 2 2 291.395 -0.127 20 30 CBEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643912 805519248 /nfs/dbraw/zinc/51/92/48/805519248.db2.gz PDVWJQDXCLSCRA-RRFJBIMHSA-N 2 2 291.395 -0.127 20 30 CBEDLP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643912 805519255 /nfs/dbraw/zinc/51/92/55/805519255.db2.gz PDVWJQDXCLSCRA-RRFJBIMHSA-N 2 2 291.395 -0.127 20 30 CBEDLP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643912 805519259 /nfs/dbraw/zinc/51/92/59/805519259.db2.gz PDVWJQDXCLSCRA-RRFJBIMHSA-N 2 2 291.395 -0.127 20 30 CBEDLP C#CC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151815203 815095558 /nfs/dbraw/zinc/09/55/58/815095558.db2.gz QXWFLWMCXUNBMV-ZDUSSCGKSA-N 2 2 265.357 -0.564 20 30 CBEDLP C=CCOCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495863 815164359 /nfs/dbraw/zinc/16/43/59/815164359.db2.gz QLAPMSLIKJFMBY-UHFFFAOYSA-N 2 2 252.318 -0.209 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506956 810337181 /nfs/dbraw/zinc/33/71/81/810337181.db2.gz UZLIAUSGCJDGAL-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088506956 810337188 /nfs/dbraw/zinc/33/71/88/810337188.db2.gz UZLIAUSGCJDGAL-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088506956 810337193 /nfs/dbraw/zinc/33/71/93/810337193.db2.gz UZLIAUSGCJDGAL-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001088506956 810337200 /nfs/dbraw/zinc/33/72/00/810337200.db2.gz UZLIAUSGCJDGAL-RDBSUJKOSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090435783 810499452 /nfs/dbraw/zinc/49/94/52/810499452.db2.gz KNECMHXPYLTOGZ-QWHCGFSZSA-N 2 2 276.340 -0.624 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001090435783 810499458 /nfs/dbraw/zinc/49/94/58/810499458.db2.gz KNECMHXPYLTOGZ-QWHCGFSZSA-N 2 2 276.340 -0.624 20 30 CBEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090677991 810549594 /nfs/dbraw/zinc/54/95/94/810549594.db2.gz CSCZUPSQKXXTQH-RYUDHWBXSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090677991 810549598 /nfs/dbraw/zinc/54/95/98/810549598.db2.gz CSCZUPSQKXXTQH-RYUDHWBXSA-N 2 2 276.340 -0.473 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090817181 810571841 /nfs/dbraw/zinc/57/18/41/810571841.db2.gz REYHFVUPODLMOD-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090817181 810571846 /nfs/dbraw/zinc/57/18/46/810571846.db2.gz REYHFVUPODLMOD-OLZOCXBDSA-N 2 2 265.357 -0.733 20 30 CBEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090848392 810575947 /nfs/dbraw/zinc/57/59/47/810575947.db2.gz FYTCUVLABLMWNT-QWHCGFSZSA-N 2 2 276.340 -0.542 20 30 CBEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090848392 810575949 /nfs/dbraw/zinc/57/59/49/810575949.db2.gz FYTCUVLABLMWNT-QWHCGFSZSA-N 2 2 276.340 -0.542 20 30 CBEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939296 810971672 /nfs/dbraw/zinc/97/16/72/810971672.db2.gz CTIKXUMVJVOYQD-ZIAGYGMSSA-N 2 2 290.367 -0.152 20 30 CBEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939296 810971680 /nfs/dbraw/zinc/97/16/80/810971680.db2.gz CTIKXUMVJVOYQD-ZIAGYGMSSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100139587 811029421 /nfs/dbraw/zinc/02/94/21/811029421.db2.gz UDJLHXSCHFFKBY-UONOGXRCSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100139587 811029429 /nfs/dbraw/zinc/02/94/29/811029429.db2.gz UDJLHXSCHFFKBY-UONOGXRCSA-N 2 2 290.367 -0.152 20 30 CBEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105318534 811225366 /nfs/dbraw/zinc/22/53/66/811225366.db2.gz DMHNSXFUROONLI-UHFFFAOYSA-N 2 2 290.371 -0.664 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001113538174 811645457 /nfs/dbraw/zinc/64/54/57/811645457.db2.gz AFEVOUMABQMIDM-UHFFFAOYSA-N 2 2 255.362 -0.105 20 30 CBEDLP N#Cc1c2c(cnc1-n1[nH]c(=O)nc1C[NH3+])C[NH2+]CCC2 ZINC001157933187 815485593 /nfs/dbraw/zinc/48/55/93/815485593.db2.gz NEPLTXPYUYKSRY-UHFFFAOYSA-N 2 2 285.311 -0.266 20 30 CBEDLP N#Cc1cc([N+](=O)[O-])cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203486 815512944 /nfs/dbraw/zinc/51/29/44/815512944.db2.gz AICGTFPCYHLCCH-SECBINFHSA-N 2 2 288.267 -0.091 20 30 CBEDLP C[NH+]1CCC(C#N)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001116177192 812227303 /nfs/dbraw/zinc/22/73/03/812227303.db2.gz YTOVTBWSZZPUKS-LLVKDONJSA-N 2 2 266.345 -0.579 20 30 CBEDLP C[NH+]1CCC(C#N)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001116177192 812227313 /nfs/dbraw/zinc/22/73/13/812227313.db2.gz YTOVTBWSZZPUKS-LLVKDONJSA-N 2 2 266.345 -0.579 20 30 CBEDLP C#CC[NH2+]CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001122053127 813110048 /nfs/dbraw/zinc/11/00/48/813110048.db2.gz ZGUKDTKZOWPYDD-RWMBFGLXSA-N 2 2 267.373 -0.177 20 30 CBEDLP C#CC[NH2+]CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001122053127 813110053 /nfs/dbraw/zinc/11/00/53/813110053.db2.gz ZGUKDTKZOWPYDD-RWMBFGLXSA-N 2 2 267.373 -0.177 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC001122058555 813110584 /nfs/dbraw/zinc/11/05/84/813110584.db2.gz VFGCKQVHPKJLIO-GFCCVEGCSA-N 2 2 281.356 -0.695 20 30 CBEDLP C#CC[NH2+]CC(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC001122058555 813110588 /nfs/dbraw/zinc/11/05/88/813110588.db2.gz VFGCKQVHPKJLIO-GFCCVEGCSA-N 2 2 281.356 -0.695 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126448202 813649341 /nfs/dbraw/zinc/64/93/41/813649341.db2.gz PKCSAOYNVZUPKF-LLVKDONJSA-N 2 2 293.371 -0.261 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488872 813946016 /nfs/dbraw/zinc/94/60/16/813946016.db2.gz YLLFWOYKOTZRFE-ZDUSSCGKSA-N 2 2 290.367 -0.199 20 30 CBEDLP COCC#CC[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130645549 813959476 /nfs/dbraw/zinc/95/94/76/813959476.db2.gz OIOZTPBCWSXJLI-UHFFFAOYSA-N 2 2 294.355 -0.295 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079687 814100610 /nfs/dbraw/zinc/10/06/10/814100610.db2.gz IGAYQQAKCJELQP-UHFFFAOYSA-N 2 2 279.344 -0.719 20 30 CBEDLP C[C@H](CC(=O)NCC[NH2+]CC(=O)NCC#N)n1cc[nH+]c1 ZINC001134494549 814387435 /nfs/dbraw/zinc/38/74/35/814387435.db2.gz AWWXFOQTPKGFHH-LLVKDONJSA-N 2 2 292.343 -0.820 20 30 CBEDLP C=CC[NH+]1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160431944 815620387 /nfs/dbraw/zinc/62/03/87/815620387.db2.gz JEBLHUXYOXRAON-GFCCVEGCSA-N 3 2 264.373 -0.874 20 30 CBEDLP C=CCN1CC[C@H]([NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001135758068 814520191 /nfs/dbraw/zinc/52/01/91/814520191.db2.gz XMJYNYMBLAGIDM-NSHDSACASA-N 2 2 291.355 -0.555 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135765995 814522020 /nfs/dbraw/zinc/52/20/20/814522020.db2.gz DVDZKJUPKAFOPZ-SNVBAGLBSA-N 2 2 279.344 -0.651 20 30 CBEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC001160482288 815627842 /nfs/dbraw/zinc/62/78/42/815627842.db2.gz FDHHKRIGOLPQSY-ZDUSSCGKSA-N 2 2 290.371 -0.652 20 30 CBEDLP C#C[C@](C)([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001160490708 815630503 /nfs/dbraw/zinc/63/05/03/815630503.db2.gz DSEVZABGBAYXMO-AWEZNQCLSA-N 2 2 265.357 -0.340 20 30 CBEDLP N#CCCN(CCC#N)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160750410 815667469 /nfs/dbraw/zinc/66/74/69/815667469.db2.gz IIAUGEINLPZYCD-WZRBSPASSA-N 2 2 261.329 -0.136 20 30 CBEDLP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161139191 815720742 /nfs/dbraw/zinc/72/07/42/815720742.db2.gz MWWPPIHABSIYRX-FYLLDIAZSA-N 2 2 252.293 -0.600 20 30 CBEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H](F)C[C@H]1C#N ZINC001161139395 815721021 /nfs/dbraw/zinc/72/10/21/815721021.db2.gz SLEILPUMLBYSMB-QXEWZRGKSA-N 2 2 265.292 -0.248 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001293092348 816503735 /nfs/dbraw/zinc/50/37/35/816503735.db2.gz DJVMJTNSLWKOFJ-GFCCVEGCSA-N 2 2 255.362 -0.059 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001293092348 816503742 /nfs/dbraw/zinc/50/37/42/816503742.db2.gz DJVMJTNSLWKOFJ-GFCCVEGCSA-N 2 2 255.362 -0.059 20 30 CBEDLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001316982939 816915310 /nfs/dbraw/zinc/91/53/10/816915310.db2.gz QMBBMAYVIAWCKX-VXGBXAGGSA-N 2 2 295.387 -0.843 20 30 CBEDLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001316982939 816915314 /nfs/dbraw/zinc/91/53/14/816915314.db2.gz QMBBMAYVIAWCKX-VXGBXAGGSA-N 2 2 295.387 -0.843 20 30 CBEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317817246 817051883 /nfs/dbraw/zinc/05/18/83/817051883.db2.gz YWESCTJMTJHJOE-CQSZACIVSA-N 2 2 293.415 -0.320 20 30 CBEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001317817246 817051889 /nfs/dbraw/zinc/05/18/89/817051889.db2.gz YWESCTJMTJHJOE-CQSZACIVSA-N 2 2 293.415 -0.320 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001320283289 817312556 /nfs/dbraw/zinc/31/25/56/817312556.db2.gz XHQOORIDNFRYSV-LLVKDONJSA-N 2 2 250.302 -0.958 20 30 CBEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001320303712 817319475 /nfs/dbraw/zinc/31/94/75/817319475.db2.gz NRQTVYQSZOHHHO-CYBMUJFWSA-N 2 2 278.356 -0.557 20 30 CBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169229157 820214077 /nfs/dbraw/zinc/21/40/77/820214077.db2.gz VARSCGSGRRAYST-NSHDSACASA-N 2 2 291.355 -0.814 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177411424 820513761 /nfs/dbraw/zinc/51/37/61/820513761.db2.gz WKYAOXQXXXZSHN-UHFFFAOYSA-N 2 2 279.344 -0.719 20 30 CBEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187091186 821212881 /nfs/dbraw/zinc/21/28/81/821212881.db2.gz HHMOMVBAZBWDBT-CYBMUJFWSA-N 2 2 290.367 -0.197 20 30 CBEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001280652797 828370237 /nfs/dbraw/zinc/37/02/37/828370237.db2.gz UCECAQCXUSMMFW-GFCCVEGCSA-N 2 2 276.340 -0.208 20 30 CBEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192563180 823975043 /nfs/dbraw/zinc/97/50/43/823975043.db2.gz FTZRYFAUTNOXFE-GHMZBOCLSA-N 2 2 264.329 -0.310 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192563180 823975054 /nfs/dbraw/zinc/97/50/54/823975054.db2.gz FTZRYFAUTNOXFE-GHMZBOCLSA-N 2 2 264.329 -0.310 20 30 CBEDLP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001284475768 828599832 /nfs/dbraw/zinc/59/98/32/828599832.db2.gz CSIRLYCZHQKNLL-GFCCVEGCSA-N 2 2 266.345 -0.132 20 30 CBEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194910182 824096021 /nfs/dbraw/zinc/09/60/21/824096021.db2.gz YYWDCAUNDGYAEW-CHWSQXEVSA-N 2 2 290.367 -0.463 20 30 CBEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194910182 824096023 /nfs/dbraw/zinc/09/60/23/824096023.db2.gz YYWDCAUNDGYAEW-CHWSQXEVSA-N 2 2 290.367 -0.463 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196115819 824147561 /nfs/dbraw/zinc/14/75/61/824147561.db2.gz SHPHBKMRCIRPLV-MGPQQGTHSA-N 2 2 281.400 -0.099 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196115819 824147568 /nfs/dbraw/zinc/14/75/68/824147568.db2.gz SHPHBKMRCIRPLV-MGPQQGTHSA-N 2 2 281.400 -0.099 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127499 824250025 /nfs/dbraw/zinc/25/00/25/824250025.db2.gz FTHXAVMCLAUFFW-KFWWJZLASA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127499 824250030 /nfs/dbraw/zinc/25/00/30/824250030.db2.gz FTHXAVMCLAUFFW-KFWWJZLASA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201726999 824335165 /nfs/dbraw/zinc/33/51/65/824335165.db2.gz QNJINWDOYGTXTN-GFCCVEGCSA-N 2 2 276.340 -0.208 20 30 CBEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001201857530 824336860 /nfs/dbraw/zinc/33/68/60/824336860.db2.gz VWHZSFMWDAQWOY-AWEZNQCLSA-N 2 2 290.367 -0.197 20 30 CBEDLP N#Cc1cc(N)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1C#N ZINC001218988241 824650918 /nfs/dbraw/zinc/65/09/18/824650918.db2.gz XICILQWAFGKAAV-SKDRFNHKSA-N 2 2 270.296 -0.360 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219842156 824901509 /nfs/dbraw/zinc/90/15/09/824901509.db2.gz IIZUMGKTMPDXBC-AGIUHOORSA-N 2 2 267.373 -0.633 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219842156 824901513 /nfs/dbraw/zinc/90/15/13/824901513.db2.gz IIZUMGKTMPDXBC-AGIUHOORSA-N 2 2 267.373 -0.633 20 30 CBEDLP N#CN=C(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccncc1 ZINC001219972369 824925925 /nfs/dbraw/zinc/92/59/25/824925925.db2.gz OFHCEOYAAUFFEV-LLVKDONJSA-N 2 2 283.295 -0.281 20 30 CBEDLP COC(=O)[C@H](CS)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220036702 824940415 /nfs/dbraw/zinc/94/04/15/824940415.db2.gz SZWSZCXGAQUSFP-QWRGUYRKSA-N 2 2 297.380 -0.154 20 30 CBEDLP COC(=O)[C@H](CS)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220036701 824941114 /nfs/dbraw/zinc/94/11/14/824941114.db2.gz SZWSZCXGAQUSFP-MNOVXSKESA-N 2 2 297.380 -0.154 20 30 CBEDLP C=C(C)C(=O)OCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220125075 824962069 /nfs/dbraw/zinc/96/20/69/824962069.db2.gz XECZVPDQRYZCSH-GARJFASQSA-N 2 2 267.329 -0.828 20 30 CBEDLP C=C(C)C(=O)OCCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220125062 824962202 /nfs/dbraw/zinc/96/22/02/824962202.db2.gz WTXWEUCDMKQWDM-UHFFFAOYSA-N 2 2 255.318 -0.697 20 30 CBEDLP O=C(/C=C/NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C(F)(F)F ZINC001220343666 825020578 /nfs/dbraw/zinc/02/05/78/825020578.db2.gz XBHUSBVBARJWLC-VNBPWFKXSA-N 2 2 277.246 -0.302 20 30 CBEDLP [NH3+]C1(C(=O)N/C=C/C(=O)C(F)(F)F)CC[NH2+]CC1 ZINC001220343527 825020585 /nfs/dbraw/zinc/02/05/85/825020585.db2.gz RJIYHSUJPAWJHU-DAFODLJHSA-N 2 2 265.235 -0.171 20 30 CBEDLP C=C[C@@H]1C[C@@]1(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(=O)OCC ZINC001220570926 825063976 /nfs/dbraw/zinc/06/39/76/825063976.db2.gz DJEAPDUVAOXSHC-UPYBOPHASA-N 2 2 293.367 -0.168 20 30 CBEDLP C=C[C@@H]1C[C@@]1(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001220571682 825065407 /nfs/dbraw/zinc/06/54/07/825065407.db2.gz XCUFXVPBNHDCGH-UDZFHETQSA-N 2 2 292.339 -0.097 20 30 CBEDLP C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C(=O)OCC ZINC001220571247 825066771 /nfs/dbraw/zinc/06/67/71/825066771.db2.gz MOZMMNUQOIJNSK-VINAVUOLSA-N 2 2 293.367 -0.440 20 30 CBEDLP C=C[C@@H]1C[C@]1(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)OCC ZINC001220573507 825068559 /nfs/dbraw/zinc/06/85/59/825068559.db2.gz NPBTUPMOOOEXBB-KEPMVKOISA-N 2 2 267.329 -0.843 20 30 CBEDLP CC(C)C[C@H](C#N)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220700832 825088130 /nfs/dbraw/zinc/08/81/30/825088130.db2.gz PFQYATROXANUHM-NQBHXWOUSA-N 2 2 250.346 -0.008 20 30 CBEDLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@@H]1O ZINC001220829528 825108194 /nfs/dbraw/zinc/10/81/94/825108194.db2.gz WDTJNRNNPMURBN-KGLIPLIRSA-N 2 2 297.399 -0.861 20 30 CBEDLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC#CCOC)C[C@@H]1O ZINC001220829528 825108198 /nfs/dbraw/zinc/10/81/98/825108198.db2.gz WDTJNRNNPMURBN-KGLIPLIRSA-N 2 2 297.399 -0.861 20 30 CBEDLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O ZINC001220829528 825108206 /nfs/dbraw/zinc/10/82/06/825108206.db2.gz WDTJNRNNPMURBN-KGLIPLIRSA-N 2 2 297.399 -0.861 20 30 CBEDLP CCOC(=O)C1=C(NC(=O)C[NH2+]CCC#N)C[NH2+]C1 ZINC001220830062 825109627 /nfs/dbraw/zinc/10/96/27/825109627.db2.gz LZPSYHSQHIEOPI-UHFFFAOYSA-N 2 2 266.301 -0.974 20 30 CBEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220881963 825119861 /nfs/dbraw/zinc/11/98/61/825119861.db2.gz KPYRKNQZGLPMSI-OLZOCXBDSA-N 2 2 278.356 -0.300 20 30 CBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220881963 825119862 /nfs/dbraw/zinc/11/98/62/825119862.db2.gz KPYRKNQZGLPMSI-OLZOCXBDSA-N 2 2 278.356 -0.300 20 30 CBEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221095475 825143364 /nfs/dbraw/zinc/14/33/64/825143364.db2.gz FTHXAVMCLAUFFW-QLFBSQMISA-N 2 2 293.411 -0.099 20 30 CBEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221095475 825143367 /nfs/dbraw/zinc/14/33/67/825143367.db2.gz FTHXAVMCLAUFFW-QLFBSQMISA-N 2 2 293.411 -0.099 20 30 CBEDLP N#Cc1ccc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)cn1 ZINC001221089068 825143889 /nfs/dbraw/zinc/14/38/89/825143889.db2.gz GNSCJENVVCFUMM-WCFLWFBJSA-N 2 2 271.324 -0.481 20 30 CBEDLP C[N@H+]1[C@@H]2C[C@@H](OCCN3CC[NH+](C)CC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224549070 825241971 /nfs/dbraw/zinc/24/19/71/825241971.db2.gz IORYISPPKSYYDC-ABWMFPBJSA-N 2 2 281.400 -0.137 20 30 CBEDLP C[N@@H+]1[C@@H]2C[C@@H](OCCN3CC[NH+](C)CC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224549070 825241980 /nfs/dbraw/zinc/24/19/80/825241980.db2.gz IORYISPPKSYYDC-ABWMFPBJSA-N 2 2 281.400 -0.137 20 30 CBEDLP C=CC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC ZINC001246264519 825658464 /nfs/dbraw/zinc/65/84/64/825658464.db2.gz CDKQJWZOOXFJGB-MNOVXSKESA-N 2 2 253.346 -0.212 20 30 CBEDLP C#Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC001251004684 825756692 /nfs/dbraw/zinc/75/66/92/825756692.db2.gz YHGIIMBKBDNOAQ-AWEZNQCLSA-N 2 2 261.325 -0.410 20 30 CBEDLP C=CCOC[C@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001252486679 825871384 /nfs/dbraw/zinc/87/13/84/825871384.db2.gz GVCWGLGQEAAFOR-LLVKDONJSA-N 2 2 256.350 -0.678 20 30 CBEDLP C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001254685612 825968996 /nfs/dbraw/zinc/96/89/96/825968996.db2.gz LSNVGAGMOPWLCB-CYBMUJFWSA-N 2 2 293.415 -0.274 20 30 CBEDLP C#CC[NH2+]CC(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC001263097512 826736729 /nfs/dbraw/zinc/73/67/29/826736729.db2.gz ZAZYGZOCJZPONZ-UHFFFAOYSA-N 2 2 280.416 -0.401 20 30 CBEDLP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266265600 826966639 /nfs/dbraw/zinc/96/66/39/826966639.db2.gz JKUMFJYPYGJRNV-ZDUSSCGKSA-N 2 2 283.372 -0.985 20 30 CBEDLP COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266265600 826966648 /nfs/dbraw/zinc/96/66/48/826966648.db2.gz JKUMFJYPYGJRNV-ZDUSSCGKSA-N 2 2 283.372 -0.985 20 30 CBEDLP COCC#CC[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266265600 826966652 /nfs/dbraw/zinc/96/66/52/826966652.db2.gz JKUMFJYPYGJRNV-ZDUSSCGKSA-N 2 2 283.372 -0.985 20 30 CBEDLP COCC#CC[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266265600 826966664 /nfs/dbraw/zinc/96/66/64/826966664.db2.gz JKUMFJYPYGJRNV-ZDUSSCGKSA-N 2 2 283.372 -0.985 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266358761 826989877 /nfs/dbraw/zinc/98/98/77/826989877.db2.gz GNWHWIMDYMJVDY-CYBMUJFWSA-N 2 2 292.383 -0.978 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266358761 826989884 /nfs/dbraw/zinc/98/98/84/826989884.db2.gz GNWHWIMDYMJVDY-CYBMUJFWSA-N 2 2 292.383 -0.978 20 30 CBEDLP COCC#CC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266995424 827105457 /nfs/dbraw/zinc/10/54/57/827105457.db2.gz HNKLYXAVMWXGGV-LBPRGKRZSA-N 2 2 264.329 -0.373 20 30 CBEDLP C=CCNC(=O)C[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001267456441 827174148 /nfs/dbraw/zinc/17/41/48/827174148.db2.gz XJLZOVCIFQNSRJ-UHFFFAOYSA-N 2 2 293.371 -0.687 20 30 CBEDLP CC[N@H+](C)CCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267618772 827184635 /nfs/dbraw/zinc/18/46/35/827184635.db2.gz SHRYZEBCVZNRHS-UHFFFAOYSA-N 2 2 295.431 -0.072 20 30 CBEDLP CC[N@@H+](C)CCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001267618772 827184636 /nfs/dbraw/zinc/18/46/36/827184636.db2.gz SHRYZEBCVZNRHS-UHFFFAOYSA-N 2 2 295.431 -0.072 20 30 CBEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268707377 827407794 /nfs/dbraw/zinc/40/77/94/827407794.db2.gz BVDQKIFEGNPPLF-QWRGUYRKSA-N 2 2 293.371 -0.263 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001269285362 827488190 /nfs/dbraw/zinc/48/81/90/827488190.db2.gz JBTRQCYMPISEGD-OLZOCXBDSA-N 2 2 296.415 -0.181 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001269285362 827488196 /nfs/dbraw/zinc/48/81/96/827488196.db2.gz JBTRQCYMPISEGD-OLZOCXBDSA-N 2 2 296.415 -0.181 20 30 CBEDLP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001269486421 827514011 /nfs/dbraw/zinc/51/40/11/827514011.db2.gz LNVIZSKOORNJMJ-LLVKDONJSA-N 2 2 291.355 -0.814 20 30 CBEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270190668 827553210 /nfs/dbraw/zinc/55/32/10/827553210.db2.gz ZXXTWTSSRAPHKW-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270190668 827553216 /nfs/dbraw/zinc/55/32/16/827553216.db2.gz ZXXTWTSSRAPHKW-OLZOCXBDSA-N 2 2 265.357 -0.469 20 30 CBEDLP C=C(C)C[NH2+]CCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001272283770 827777508 /nfs/dbraw/zinc/77/75/08/827777508.db2.gz BSDHPMYIMDXYCY-UHFFFAOYSA-N 2 2 266.345 -0.061 20 30 CBEDLP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001278106374 828248904 /nfs/dbraw/zinc/24/89/04/828248904.db2.gz XYYCWIXGYHLPTL-OLZOCXBDSA-N 2 2 290.367 -0.465 20 30 CBEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001278837602 828294225 /nfs/dbraw/zinc/29/42/25/828294225.db2.gz BAQCYLLFAKWLRS-CYBMUJFWSA-N 2 2 278.356 -0.295 20 30 CBEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC001331914685 887041860 /nfs/dbraw/zinc/04/18/60/887041860.db2.gz HUEOMQFQEQLFSQ-GFCCVEGCSA-N 2 2 282.388 -0.440 20 30 CBEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC001331914685 887041873 /nfs/dbraw/zinc/04/18/73/887041873.db2.gz HUEOMQFQEQLFSQ-GFCCVEGCSA-N 2 2 282.388 -0.440 20 30 CBEDLP C=CC[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001328454842 885693585 /nfs/dbraw/zinc/69/35/85/885693585.db2.gz KZSDJECBMYJSRR-DOMZBBRYSA-N 2 2 294.399 -0.249 20 30 CBEDLP C=CC[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)CCC[NH2+]1 ZINC001328454842 885693591 /nfs/dbraw/zinc/69/35/91/885693591.db2.gz KZSDJECBMYJSRR-DOMZBBRYSA-N 2 2 294.399 -0.249 20 30 CBEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001329107027 885932983 /nfs/dbraw/zinc/93/29/83/885932983.db2.gz PMRGAJSQIBJIGN-HBNTYKKESA-N 2 2 259.313 -0.327 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001374586295 897282458 /nfs/dbraw/zinc/28/24/58/897282458.db2.gz GUNIVTCXIIFGSL-QWRGUYRKSA-N 2 2 291.779 -0.864 20 30 CBEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001374586295 897282474 /nfs/dbraw/zinc/28/24/74/897282474.db2.gz GUNIVTCXIIFGSL-QWRGUYRKSA-N 2 2 291.779 -0.864 20 30 CBEDLP C#CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001502645273 921377327 /nfs/dbraw/zinc/37/73/27/921377327.db2.gz UVUWAMGAHQLKOW-UHFFFAOYSA-N 2 2 276.340 -0.229 20 30 CBEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001480914098 916622831 /nfs/dbraw/zinc/62/28/31/916622831.db2.gz SMNMOSOHKPGVOY-CYBMUJFWSA-N 2 2 294.399 -0.874 20 30 CBEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001480914098 916622841 /nfs/dbraw/zinc/62/28/41/916622841.db2.gz SMNMOSOHKPGVOY-CYBMUJFWSA-N 2 2 294.399 -0.874 20 30 CBEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001480914098 916622851 /nfs/dbraw/zinc/62/28/51/916622851.db2.gz SMNMOSOHKPGVOY-CYBMUJFWSA-N 2 2 294.399 -0.874 20 30 CBEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001480914098 916622861 /nfs/dbraw/zinc/62/28/61/916622861.db2.gz SMNMOSOHKPGVOY-CYBMUJFWSA-N 2 2 294.399 -0.874 20 30 CBEDLP COCC#CC[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001480953162 916650436 /nfs/dbraw/zinc/65/04/36/916650436.db2.gz GJNMSHHBJFGZPJ-UHFFFAOYSA-N 2 2 264.329 -0.419 20 30 CBEDLP COCC#CC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001480953162 916650445 /nfs/dbraw/zinc/65/04/45/916650445.db2.gz GJNMSHHBJFGZPJ-UHFFFAOYSA-N 2 2 264.329 -0.419 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481706348 916959716 /nfs/dbraw/zinc/95/97/16/916959716.db2.gz SZIVHWUDNPXDMR-OLZOCXBDSA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481706348 916959732 /nfs/dbraw/zinc/95/97/32/916959732.db2.gz SZIVHWUDNPXDMR-OLZOCXBDSA-N 2 2 294.399 -0.734 20 30 CBEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001481709384 916960044 /nfs/dbraw/zinc/96/00/44/916960044.db2.gz XLLHXSOIRVGMSP-ZIAGYGMSSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001481709384 916960057 /nfs/dbraw/zinc/96/00/57/916960057.db2.gz XLLHXSOIRVGMSP-ZIAGYGMSSA-N 2 2 279.384 -0.222 20 30 CBEDLP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001481923150 917022378 /nfs/dbraw/zinc/02/23/78/917022378.db2.gz RLAJPFBFVIKTAP-UKRRQHHQSA-N 2 2 279.384 -0.175 20 30 CBEDLP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001481923150 917022396 /nfs/dbraw/zinc/02/23/96/917022396.db2.gz RLAJPFBFVIKTAP-UKRRQHHQSA-N 2 2 279.384 -0.175 20 30 CBEDLP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482350352 917136941 /nfs/dbraw/zinc/13/69/41/917136941.db2.gz ZFNSEFSLYRVQHE-JTQLQIEISA-N 2 2 292.343 -0.972 20 30 CBEDLP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001482905854 917329974 /nfs/dbraw/zinc/32/99/74/917329974.db2.gz PYADTWWAOPBTJZ-LBPRGKRZSA-N 2 2 291.355 -0.883 20 30 CBEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001493808992 919625421 /nfs/dbraw/zinc/62/54/21/919625421.db2.gz CHWPASCFMFCZCA-GFCCVEGCSA-N 2 2 293.371 -0.378 20 30 CBEDLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001494732851 919781161 /nfs/dbraw/zinc/78/11/61/919781161.db2.gz PLGNXOAYINYZIH-LBPRGKRZSA-N 2 2 295.387 -0.842 20 30 CBEDLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001494732851 919781173 /nfs/dbraw/zinc/78/11/73/919781173.db2.gz PLGNXOAYINYZIH-LBPRGKRZSA-N 2 2 295.387 -0.842 20 30 CBEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001494732851 919781188 /nfs/dbraw/zinc/78/11/88/919781188.db2.gz PLGNXOAYINYZIH-LBPRGKRZSA-N 2 2 295.387 -0.842 20 30 CBEDLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001494732851 919781198 /nfs/dbraw/zinc/78/11/98/919781198.db2.gz PLGNXOAYINYZIH-LBPRGKRZSA-N 2 2 295.387 -0.842 20 30 CBEDLP COCC#CC[NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C ZINC001497732064 920378050 /nfs/dbraw/zinc/37/80/50/920378050.db2.gz QKFQZEVJCCFVFE-ONEGZZNKSA-N 2 2 290.367 -0.126 20 30 CBEDLP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001498051977 920463635 /nfs/dbraw/zinc/46/36/35/920463635.db2.gz CXEYWVAFWYQOIC-NSHDSACASA-N 2 2 291.355 -0.814 20 30 CBEDLP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001498051977 920463641 /nfs/dbraw/zinc/46/36/41/920463641.db2.gz CXEYWVAFWYQOIC-NSHDSACASA-N 2 2 291.355 -0.814 20 30 CBEDLP C#CC[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001501363576 920978975 /nfs/dbraw/zinc/97/89/75/920978975.db2.gz AEUPAGPNDIQDPO-HNNXBMFYSA-N 2 2 290.367 -0.232 20 30 CBEDLP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001501363576 920978986 /nfs/dbraw/zinc/97/89/86/920978986.db2.gz AEUPAGPNDIQDPO-HNNXBMFYSA-N 2 2 290.367 -0.232 20 30 CBEDLP COCC#CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001558930272 924206073 /nfs/dbraw/zinc/20/60/73/924206073.db2.gz IDPMIWAEMWXVSC-ZDUSSCGKSA-N 2 2 279.384 -0.079 20 30 CBEDLP COCC#CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001558930272 924206085 /nfs/dbraw/zinc/20/60/85/924206085.db2.gz IDPMIWAEMWXVSC-ZDUSSCGKSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H](C)O)C2)CC1 ZINC000089928531 351734779 /nfs/dbraw/zinc/73/47/79/351734779.db2.gz FQJVAKUERXFHCI-CABCVRRESA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)CC1 ZINC000089928531 351734784 /nfs/dbraw/zinc/73/47/84/351734784.db2.gz FQJVAKUERXFHCI-CABCVRRESA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2CO)CC1 ZINC000081671329 351709202 /nfs/dbraw/zinc/70/92/02/351709202.db2.gz IKLJDDYWFLWLIG-ZDUSSCGKSA-N 2 2 265.357 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000081671329 351709205 /nfs/dbraw/zinc/70/92/05/351709205.db2.gz IKLJDDYWFLWLIG-ZDUSSCGKSA-N 2 2 265.357 -0.780 20 30 CBEDLP N#CCCN(CCC#N)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000108886881 351797377 /nfs/dbraw/zinc/79/73/77/351797377.db2.gz NDMIZRVXNBWTGW-CHWSQXEVSA-N 2 2 275.356 -0.206 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193657919 352207146 /nfs/dbraw/zinc/20/71/46/352207146.db2.gz YLGHTJSZRGCCLN-PHIMTYICSA-N 2 2 266.345 -0.508 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193657919 352207150 /nfs/dbraw/zinc/20/71/50/352207150.db2.gz YLGHTJSZRGCCLN-PHIMTYICSA-N 2 2 266.345 -0.508 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193657919 352207152 /nfs/dbraw/zinc/20/71/52/352207152.db2.gz YLGHTJSZRGCCLN-PHIMTYICSA-N 2 2 266.345 -0.508 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193657919 352207154 /nfs/dbraw/zinc/20/71/54/352207154.db2.gz YLGHTJSZRGCCLN-PHIMTYICSA-N 2 2 266.345 -0.508 20 30 CBEDLP C=CCNC(=O)CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346822958 353393704 /nfs/dbraw/zinc/39/37/04/353393704.db2.gz JHNYSTDBXOOXPP-CQSZACIVSA-N 2 2 280.416 -0.094 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCC[NH2+]C ZINC000420382457 354126881 /nfs/dbraw/zinc/12/68/81/354126881.db2.gz AMALCFMEQKZEOD-JTQLQIEISA-N 2 2 256.350 -0.072 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCC[NH2+]C ZINC000420382457 354126886 /nfs/dbraw/zinc/12/68/86/354126886.db2.gz AMALCFMEQKZEOD-JTQLQIEISA-N 2 2 256.350 -0.072 20 30 CBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430574864 354250825 /nfs/dbraw/zinc/25/08/25/354250825.db2.gz TWDOLHBJSSKQEU-GFCCVEGCSA-N 2 2 256.350 -0.039 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCOC)CC1 ZINC000490778813 354447109 /nfs/dbraw/zinc/44/71/09/354447109.db2.gz LVPDFBPHVAIONE-UHFFFAOYSA-N 2 2 267.373 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCOC)CC1 ZINC000490778813 354447112 /nfs/dbraw/zinc/44/71/12/354447112.db2.gz LVPDFBPHVAIONE-UHFFFAOYSA-N 2 2 267.373 -0.268 20 30 CBEDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000573001687 354902745 /nfs/dbraw/zinc/90/27/45/354902745.db2.gz VQQKLLSJKJFXJC-CQSZACIVSA-N 2 2 286.339 -0.243 20 30 CBEDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000573001687 354902747 /nfs/dbraw/zinc/90/27/47/354902747.db2.gz VQQKLLSJKJFXJC-CQSZACIVSA-N 2 2 286.339 -0.243 20 30 CBEDLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592147940 355133693 /nfs/dbraw/zinc/13/36/93/355133693.db2.gz UGJYYJBQAYGGRO-ZDUSSCGKSA-N 2 2 266.345 -0.889 20 30 CBEDLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592147940 355133694 /nfs/dbraw/zinc/13/36/94/355133694.db2.gz UGJYYJBQAYGGRO-ZDUSSCGKSA-N 2 2 266.345 -0.889 20 30 CBEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592148555 355135185 /nfs/dbraw/zinc/13/51/85/355135185.db2.gz ZJWVFCDNBBOUDG-ZFWWWQNUSA-N 2 2 294.399 -0.111 20 30 CBEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592148555 355135188 /nfs/dbraw/zinc/13/51/88/355135188.db2.gz ZJWVFCDNBBOUDG-ZFWWWQNUSA-N 2 2 294.399 -0.111 20 30 CBEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000594445502 355248719 /nfs/dbraw/zinc/24/87/19/355248719.db2.gz GOZYLVLSOLYDMT-GFCCVEGCSA-N 2 2 268.361 -0.154 20 30 CBEDLP Cc1cc(NC[C@@]2(CO)COCC[NH2+]2)c(C#N)c[nH+]1 ZINC000603419419 355714528 /nfs/dbraw/zinc/71/45/28/355714528.db2.gz OKQKKCUOLIKKJR-CYBMUJFWSA-N 2 2 262.313 -0.554 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)C(C)(C)O)CC1 ZINC000490935510 261254446 /nfs/dbraw/zinc/25/44/46/261254446.db2.gz NKRSOYRPWDBKEB-UHFFFAOYSA-N 2 2 281.400 -0.097 20 30 CBEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031355 372759420 /nfs/dbraw/zinc/75/94/20/372759420.db2.gz PCURJOBGVVJINY-UHFFFAOYSA-N 2 2 294.399 -0.449 20 30 CBEDLP C=CCN(CC=C)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031355 372759425 /nfs/dbraw/zinc/75/94/25/372759425.db2.gz PCURJOBGVVJINY-UHFFFAOYSA-N 2 2 294.399 -0.449 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040599059 220193689 /nfs/dbraw/zinc/19/36/89/220193689.db2.gz PBJAIUOYIOMDOD-LLVKDONJSA-N 2 2 268.361 -0.070 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040599059 220193691 /nfs/dbraw/zinc/19/36/91/220193691.db2.gz PBJAIUOYIOMDOD-LLVKDONJSA-N 2 2 268.361 -0.070 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513866 220205150 /nfs/dbraw/zinc/20/51/50/220205150.db2.gz HIODFTZFQNEZAC-LLVKDONJSA-N 2 2 268.361 -0.118 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513866 220205154 /nfs/dbraw/zinc/20/51/54/220205154.db2.gz HIODFTZFQNEZAC-LLVKDONJSA-N 2 2 268.361 -0.118 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000163198450 220218230 /nfs/dbraw/zinc/21/82/30/220218230.db2.gz VVZPONCSOZLNDK-VHSXEESVSA-N 2 2 254.334 -0.333 20 30 CBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000163198450 220218233 /nfs/dbraw/zinc/21/82/33/220218233.db2.gz VVZPONCSOZLNDK-VHSXEESVSA-N 2 2 254.334 -0.333 20 30 CBEDLP [NH2+]=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCOCC1 ZINC000262721845 220255560 /nfs/dbraw/zinc/25/55/60/220255560.db2.gz WAJWZDIFKSZLIP-LBPRGKRZSA-N 2 2 268.361 -0.504 20 30 CBEDLP [NH2+]=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCOCC1 ZINC000262721845 220255565 /nfs/dbraw/zinc/25/55/65/220255565.db2.gz WAJWZDIFKSZLIP-LBPRGKRZSA-N 2 2 268.361 -0.504 20 30 CBEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[NH+](C)CCO1 ZINC000303985266 220324933 /nfs/dbraw/zinc/32/49/33/220324933.db2.gz SUPXAANYJWBUDC-OLZOCXBDSA-N 3 2 283.420 -0.294 20 30 CBEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[NH+](C)CCO1 ZINC000303985266 220324937 /nfs/dbraw/zinc/32/49/37/220324937.db2.gz SUPXAANYJWBUDC-OLZOCXBDSA-N 3 2 283.420 -0.294 20 30 CBEDLP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000303985266 220324939 /nfs/dbraw/zinc/32/49/39/220324939.db2.gz SUPXAANYJWBUDC-OLZOCXBDSA-N 3 2 283.420 -0.294 20 30 CBEDLP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000303985266 220324942 /nfs/dbraw/zinc/32/49/42/220324942.db2.gz SUPXAANYJWBUDC-OLZOCXBDSA-N 3 2 283.420 -0.294 20 30 CBEDLP C[C@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000330495490 220355282 /nfs/dbraw/zinc/35/52/82/220355282.db2.gz WGHRUSJIHHETMB-LLVKDONJSA-N 2 2 272.393 -0.103 20 30 CBEDLP C=CC[C@]1(C(=O)N2CC[NH+](CCO)CC2)CCC[NH2+]1 ZINC000662782288 419721063 /nfs/dbraw/zinc/72/10/63/419721063.db2.gz YGXYIPCNBUYGIO-CQSZACIVSA-N 2 2 267.373 -0.179 20 30 CBEDLP C=C(C)[C@H](CO)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000649245252 419853740 /nfs/dbraw/zinc/85/37/40/419853740.db2.gz CKRSWTSRIOIPCS-LBPRGKRZSA-N 2 2 255.362 -0.371 20 30 CBEDLP CCNC(=O)C[NH+](C)CC#CC[N@@H+](C)CC(=O)NCC ZINC000671240188 544806554 /nfs/dbraw/zinc/80/65/54/544806554.db2.gz QIWOCKMEJUSHHC-UHFFFAOYSA-N 2 2 282.388 -0.874 20 30 CBEDLP CCNC(=O)C[NH+](C)CC#CC[N@H+](C)CC(=O)NCC ZINC000671240188 544806555 /nfs/dbraw/zinc/80/65/55/544806555.db2.gz QIWOCKMEJUSHHC-UHFFFAOYSA-N 2 2 282.388 -0.874 20 30 CBEDLP COCC#CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000677817379 544984871 /nfs/dbraw/zinc/98/48/71/544984871.db2.gz OYQIDWMXNIRJIX-UHFFFAOYSA-N 2 2 253.346 -0.658 20 30 CBEDLP C=CCOCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000659596625 420435994 /nfs/dbraw/zinc/43/59/94/420435994.db2.gz KAJVSIGAYMADMK-LBPRGKRZSA-N 2 2 270.377 -0.137 20 30 CBEDLP C=CCOCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000659596625 420435996 /nfs/dbraw/zinc/43/59/96/420435996.db2.gz KAJVSIGAYMADMK-LBPRGKRZSA-N 2 2 270.377 -0.137 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](C3CC3)CC2)CC1 ZINC000490740828 261196402 /nfs/dbraw/zinc/19/64/02/261196402.db2.gz NWRZWIVJJRDFKM-UHFFFAOYSA-N 2 2 290.411 -0.456 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000490899264 261241045 /nfs/dbraw/zinc/24/10/45/261241045.db2.gz NWCKZAXUNHULBX-HUUCEWRRSA-N 2 2 292.427 -0.212 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000490899264 261241046 /nfs/dbraw/zinc/24/10/46/261241046.db2.gz NWCKZAXUNHULBX-HUUCEWRRSA-N 2 2 292.427 -0.212 20 30 CBEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCC#N ZINC000441191348 289333775 /nfs/dbraw/zinc/33/37/75/289333775.db2.gz VQQARNBCQJEGGL-AGIUHOORSA-N 2 2 280.372 -0.190 20 30 CBEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCC#N ZINC000441191348 289333780 /nfs/dbraw/zinc/33/37/80/289333780.db2.gz VQQARNBCQJEGGL-AGIUHOORSA-N 2 2 280.372 -0.190 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)CCCOC)CC1 ZINC000490717271 332108242 /nfs/dbraw/zinc/10/82/42/332108242.db2.gz CASXUDFVDDGEON-UHFFFAOYSA-N 2 2 297.399 -0.905 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)CCCOC)CC1 ZINC000490717271 332108243 /nfs/dbraw/zinc/10/82/43/332108243.db2.gz CASXUDFVDDGEON-UHFFFAOYSA-N 2 2 297.399 -0.905 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC[C@H](C)O)CC1 ZINC000490781165 332115644 /nfs/dbraw/zinc/11/56/44/332115644.db2.gz XNPPELORLSRRSH-ZDUSSCGKSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC[C@H](C)O)CC1 ZINC000490781165 332115646 /nfs/dbraw/zinc/11/56/46/332115646.db2.gz XNPPELORLSRRSH-ZDUSSCGKSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC000490852121 332120612 /nfs/dbraw/zinc/12/06/12/332120612.db2.gz LMYGTHJXCCFKGT-ZDUSSCGKSA-N 2 2 293.367 -0.741 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC000490852121 332120613 /nfs/dbraw/zinc/12/06/13/332120613.db2.gz LMYGTHJXCCFKGT-ZDUSSCGKSA-N 2 2 293.367 -0.741 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000491041201 332142210 /nfs/dbraw/zinc/14/22/10/332142210.db2.gz YBHMERIUFQXWFU-CYBMUJFWSA-N 2 2 277.368 -0.780 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000491041201 332142212 /nfs/dbraw/zinc/14/22/12/332142212.db2.gz YBHMERIUFQXWFU-CYBMUJFWSA-N 2 2 277.368 -0.780 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000491298137 332184673 /nfs/dbraw/zinc/18/46/73/332184673.db2.gz UHVWUNGTGCTRNV-CQSZACIVSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000491298137 332184675 /nfs/dbraw/zinc/18/46/75/332184675.db2.gz UHVWUNGTGCTRNV-CQSZACIVSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000491298137 332184677 /nfs/dbraw/zinc/18/46/77/332184677.db2.gz UHVWUNGTGCTRNV-CQSZACIVSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000491298137 332184678 /nfs/dbraw/zinc/18/46/78/332184678.db2.gz UHVWUNGTGCTRNV-CQSZACIVSA-N 2 2 296.415 -0.039 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)C2CCCC2)CC1 ZINC000491352446 332196000 /nfs/dbraw/zinc/19/60/00/332196000.db2.gz ZRAOREPQHZNNHN-HNNXBMFYSA-N 2 2 293.411 -0.096 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@](O)(CC)C2)CC1 ZINC000491494713 332222363 /nfs/dbraw/zinc/22/23/63/332222363.db2.gz DYZOLTLNGXXNCW-OAHLLOKOSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](O)(CC)C2)CC1 ZINC000491494713 332222365 /nfs/dbraw/zinc/22/23/65/332222365.db2.gz DYZOLTLNGXXNCW-OAHLLOKOSA-N 2 2 279.384 -0.389 20 30 CBEDLP C#CCNC(=O)CC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000491513520 332226411 /nfs/dbraw/zinc/22/64/11/332226411.db2.gz CPCPORVODKYCJJ-UHFFFAOYSA-N 2 2 289.383 -0.323 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](O)[C@@H]2C)CC1 ZINC000491627550 332250970 /nfs/dbraw/zinc/25/09/70/332250970.db2.gz ULKCUQVPTAFWIY-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](O)[C@@H]2C)CC1 ZINC000491627550 332250971 /nfs/dbraw/zinc/25/09/71/332250971.db2.gz ULKCUQVPTAFWIY-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](O)[C@H]2C)CC1 ZINC000491627569 332251059 /nfs/dbraw/zinc/25/10/59/332251059.db2.gz ULKCUQVPTAFWIY-ZIAGYGMSSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](O)[C@H]2C)CC1 ZINC000491627569 332251061 /nfs/dbraw/zinc/25/10/61/332251061.db2.gz ULKCUQVPTAFWIY-ZIAGYGMSSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CCCO)C2)CC1 ZINC000491654402 332266736 /nfs/dbraw/zinc/26/67/36/332266736.db2.gz FBTFLNMIPFORGF-HNNXBMFYSA-N 2 2 293.411 -0.142 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CCCO)C2)CC1 ZINC000491654402 332266737 /nfs/dbraw/zinc/26/67/37/332266737.db2.gz FBTFLNMIPFORGF-HNNXBMFYSA-N 2 2 293.411 -0.142 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)[C@H](C)CO)CC1 ZINC000491706767 332299698 /nfs/dbraw/zinc/29/96/98/332299698.db2.gz MJGYYKXUVPDOIK-CYBMUJFWSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)[C@H](C)CO)CC1 ZINC000491706767 332299700 /nfs/dbraw/zinc/29/97/00/332299700.db2.gz MJGYYKXUVPDOIK-CYBMUJFWSA-N 2 2 267.373 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@H]2CC)CC1 ZINC000491717987 332307094 /nfs/dbraw/zinc/30/70/94/332307094.db2.gz SJORRLBULYLPTD-LSDHHAIUSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)[C@H]2CC)CC1 ZINC000491717987 332307095 /nfs/dbraw/zinc/30/70/95/332307095.db2.gz SJORRLBULYLPTD-LSDHHAIUSA-N 2 2 293.411 -0.143 20 30 CBEDLP C#CCNC(=O)CC[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000491765316 332333821 /nfs/dbraw/zinc/33/38/21/332333821.db2.gz FAXRRQVBAYAUQQ-ZDUSSCGKSA-N 2 2 267.373 -0.316 20 30 CBEDLP C#CCNC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000491772291 332338615 /nfs/dbraw/zinc/33/86/15/332338615.db2.gz QDDWTBORLUGQBY-CQSZACIVSA-N 2 2 281.400 -0.240 20 30 CBEDLP C#CCNC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000491772291 332338616 /nfs/dbraw/zinc/33/86/16/332338616.db2.gz QDDWTBORLUGQBY-CQSZACIVSA-N 2 2 281.400 -0.240 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(C)CCO[C@H]2C)CC1 ZINC000491787335 332349875 /nfs/dbraw/zinc/34/98/75/332349875.db2.gz WHGKFOISXLJMQD-ZFWWWQNUSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](CO)C[C@H](C)C2)CC1 ZINC000491801572 332355837 /nfs/dbraw/zinc/35/58/37/332355837.db2.gz CXOQUWGRRGBIKT-LSDHHAIUSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](CO)C[C@H](C)C2)CC1 ZINC000491801572 332355838 /nfs/dbraw/zinc/35/58/38/332355838.db2.gz CXOQUWGRRGBIKT-LSDHHAIUSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2[C@@H](C)CCC[C@H]2CO)CC1 ZINC000305819511 333000132 /nfs/dbraw/zinc/00/01/32/333000132.db2.gz AYGBLSJSMVXNKA-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2[C@@H](C)CCC[C@H]2CO)CC1 ZINC000305819511 333000133 /nfs/dbraw/zinc/00/01/33/333000133.db2.gz AYGBLSJSMVXNKA-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]([C@@H](C)O)C2)CC1 ZINC000305850221 333001189 /nfs/dbraw/zinc/00/11/89/333001189.db2.gz JJWPDYUGTMRKCW-KGLIPLIRSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]([C@@H](C)O)C2)CC1 ZINC000305850221 333001191 /nfs/dbraw/zinc/00/11/91/333001191.db2.gz JJWPDYUGTMRKCW-KGLIPLIRSA-N 2 2 279.384 -0.534 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000791345639 582392957 /nfs/dbraw/zinc/39/29/57/582392957.db2.gz APTARZRERUXNML-UHFFFAOYSA-N 2 2 255.362 -0.105 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000730283770 582149967 /nfs/dbraw/zinc/14/99/67/582149967.db2.gz OYOJETTZAGNCSQ-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000730283770 582149969 /nfs/dbraw/zinc/14/99/69/582149969.db2.gz OYOJETTZAGNCSQ-AWEZNQCLSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC)CCO1 ZINC000734819232 582174797 /nfs/dbraw/zinc/17/47/97/582174797.db2.gz CDEWLMCWPRQZIF-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC)CCO1 ZINC000734819232 582174798 /nfs/dbraw/zinc/17/47/98/582174798.db2.gz CDEWLMCWPRQZIF-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC)CCO1 ZINC000734819232 582174799 /nfs/dbraw/zinc/17/47/99/582174799.db2.gz CDEWLMCWPRQZIF-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC)CCO1 ZINC000734819232 582174800 /nfs/dbraw/zinc/17/48/00/582174800.db2.gz CDEWLMCWPRQZIF-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000747411356 582286289 /nfs/dbraw/zinc/28/62/89/582286289.db2.gz DWSLIPDFLTZQJX-ZDUSSCGKSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000747411356 582286290 /nfs/dbraw/zinc/28/62/90/582286290.db2.gz DWSLIPDFLTZQJX-ZDUSSCGKSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCOC[C@H]2C)CC1 ZINC000749516170 582289808 /nfs/dbraw/zinc/28/98/08/582289808.db2.gz SXQDKCZDBVKKRQ-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCOC[C@H]2C)CC1 ZINC000749516170 582289809 /nfs/dbraw/zinc/28/98/09/582289809.db2.gz SXQDKCZDBVKKRQ-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000749546193 582289919 /nfs/dbraw/zinc/28/99/19/582289919.db2.gz MMDBPFFCIHLINR-MELADBBJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000749546193 582289920 /nfs/dbraw/zinc/28/99/20/582289920.db2.gz MMDBPFFCIHLINR-MELADBBJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2COC)CC1 ZINC000752324414 582294853 /nfs/dbraw/zinc/29/48/53/582294853.db2.gz DHPFLGBTHMYGKG-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2COC)CC1 ZINC000752324414 582294854 /nfs/dbraw/zinc/29/48/54/582294854.db2.gz DHPFLGBTHMYGKG-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@@H](C)C2)CC1 ZINC000754381460 582299273 /nfs/dbraw/zinc/29/92/73/582299273.db2.gz FEVDJWQTHIVOHK-AWEZNQCLSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@@H](C)C2)CC1 ZINC000754381460 582299274 /nfs/dbraw/zinc/29/92/74/582299274.db2.gz FEVDJWQTHIVOHK-AWEZNQCLSA-N 2 2 279.384 -0.268 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000759632583 582310447 /nfs/dbraw/zinc/31/04/47/582310447.db2.gz PGYOJAZETVTACH-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000759632583 582310448 /nfs/dbraw/zinc/31/04/48/582310448.db2.gz PGYOJAZETVTACH-GJZGRUSLSA-N 2 2 293.411 -0.001 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764464210 582323446 /nfs/dbraw/zinc/32/34/46/582323446.db2.gz BFPRFUZISKRVDI-HUUCEWRRSA-N 2 2 292.427 -0.306 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764464210 582323447 /nfs/dbraw/zinc/32/34/47/582323447.db2.gz BFPRFUZISKRVDI-HUUCEWRRSA-N 2 2 292.427 -0.306 20 30 CBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764464198 582323462 /nfs/dbraw/zinc/32/34/62/582323462.db2.gz BFPRFUZISKRVDI-CABCVRRESA-N 2 2 292.427 -0.306 20 30 CBEDLP C#CCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764464198 582323463 /nfs/dbraw/zinc/32/34/63/582323463.db2.gz BFPRFUZISKRVDI-CABCVRRESA-N 2 2 292.427 -0.306 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000764510610 582323780 /nfs/dbraw/zinc/32/37/80/582323780.db2.gz WRGRRKVFKFDPFG-CYBMUJFWSA-N 2 2 268.405 -0.144 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000770337462 582338314 /nfs/dbraw/zinc/33/83/14/582338314.db2.gz NRDYCWXGOYVLIB-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000770337462 582338315 /nfs/dbraw/zinc/33/83/15/582338315.db2.gz NRDYCWXGOYVLIB-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000770337462 582338316 /nfs/dbraw/zinc/33/83/16/582338316.db2.gz NRDYCWXGOYVLIB-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000770337462 582338317 /nfs/dbraw/zinc/33/83/17/582338317.db2.gz NRDYCWXGOYVLIB-IHRRRGAJSA-N 2 2 279.384 -0.081 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)C2CC2)CC1 ZINC000771799739 582341628 /nfs/dbraw/zinc/34/16/28/582341628.db2.gz MEISMGFULUJDNF-CQSZACIVSA-N 2 2 279.384 -0.486 20 30 CBEDLP CN(CC[N@H+](C)CC(=O)NCCC#N)C1CC[NH+](C)CC1 ZINC000774728701 582351162 /nfs/dbraw/zinc/35/11/62/582351162.db2.gz HFFBOMINGZLOJR-UHFFFAOYSA-N 2 2 295.431 -0.026 20 30 CBEDLP CN(CC[N@@H+](C)CC(=O)NCCC#N)C1CC[NH+](C)CC1 ZINC000774728701 582351163 /nfs/dbraw/zinc/35/11/63/582351163.db2.gz HFFBOMINGZLOJR-UHFFFAOYSA-N 2 2 295.431 -0.026 20 30 CBEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NCCC#N ZINC000774728701 582351164 /nfs/dbraw/zinc/35/11/64/582351164.db2.gz HFFBOMINGZLOJR-UHFFFAOYSA-N 2 2 295.431 -0.026 20 30 CBEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NCCC#N ZINC000774728701 582351165 /nfs/dbraw/zinc/35/11/65/582351165.db2.gz HFFBOMINGZLOJR-UHFFFAOYSA-N 2 2 295.431 -0.026 20 30 CBEDLP C#C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000775806651 582353370 /nfs/dbraw/zinc/35/33/70/582353370.db2.gz MJNOFCURYCQFTN-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000779124703 582360296 /nfs/dbraw/zinc/36/02/96/582360296.db2.gz WWQLMFIOCBMNIU-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000779124703 582360297 /nfs/dbraw/zinc/36/02/97/582360297.db2.gz WWQLMFIOCBMNIU-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000779124703 582360298 /nfs/dbraw/zinc/36/02/98/582360298.db2.gz WWQLMFIOCBMNIU-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000779124703 582360299 /nfs/dbraw/zinc/36/02/99/582360299.db2.gz WWQLMFIOCBMNIU-KBPBESRZSA-N 2 2 279.384 -0.391 20 30 CBEDLP N#CC[C@@]1(O)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000829974927 582911390 /nfs/dbraw/zinc/91/13/90/582911390.db2.gz MCKNKZQEJTYPDJ-QWHCGFSZSA-N 2 2 253.346 -0.206 20 30 CBEDLP N#CC[C@@]1(O)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000829974927 582911392 /nfs/dbraw/zinc/91/13/92/582911392.db2.gz MCKNKZQEJTYPDJ-QWHCGFSZSA-N 2 2 253.346 -0.206 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)[C@H]2C)CC1 ZINC000831839812 583004947 /nfs/dbraw/zinc/00/49/47/583004947.db2.gz URXUCPHGBAZSIE-OLZOCXBDSA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@H]2C)CC1 ZINC000831839812 583004949 /nfs/dbraw/zinc/00/49/49/583004949.db2.gz URXUCPHGBAZSIE-OLZOCXBDSA-N 2 2 265.357 -0.781 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000847489532 583408432 /nfs/dbraw/zinc/40/84/32/583408432.db2.gz PEGDJXAZRCJBJQ-UHFFFAOYSA-N 2 2 289.383 -0.164 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000852668740 583550500 /nfs/dbraw/zinc/55/05/00/583550500.db2.gz GPUGZOSFNJZILY-CABCVRRESA-N 2 2 291.395 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000852668740 583550501 /nfs/dbraw/zinc/55/05/01/583550501.db2.gz GPUGZOSFNJZILY-CABCVRRESA-N 2 2 291.395 -0.268 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)CC1 ZINC000852701122 583550892 /nfs/dbraw/zinc/55/08/92/583550892.db2.gz MMVBCOPJSQQRTF-ZBFHGGJFSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)CC1 ZINC000852701122 583550895 /nfs/dbraw/zinc/55/08/95/583550895.db2.gz MMVBCOPJSQQRTF-ZBFHGGJFSA-N 2 2 293.411 -0.286 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000854467583 583604717 /nfs/dbraw/zinc/60/47/17/583604717.db2.gz VLFWUNFXVWLTGK-RYUDHWBXSA-N 2 2 253.346 -0.877 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000854467583 583604718 /nfs/dbraw/zinc/60/47/18/583604718.db2.gz VLFWUNFXVWLTGK-RYUDHWBXSA-N 2 2 253.346 -0.877 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000854589283 583609463 /nfs/dbraw/zinc/60/94/63/583609463.db2.gz IHLOCUVEJDPBQZ-HNNXBMFYSA-N 2 2 291.395 -0.125 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000854589283 583609465 /nfs/dbraw/zinc/60/94/65/583609465.db2.gz IHLOCUVEJDPBQZ-HNNXBMFYSA-N 2 2 291.395 -0.125 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154441 584048453 /nfs/dbraw/zinc/04/84/53/584048453.db2.gz ZYEDKMJYQITIMG-COPLHBTASA-N 2 2 280.372 -0.072 20 30 CBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154441 584048456 /nfs/dbraw/zinc/04/84/56/584048456.db2.gz ZYEDKMJYQITIMG-COPLHBTASA-N 2 2 280.372 -0.072 20 30 CBEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000876846293 584149165 /nfs/dbraw/zinc/14/91/65/584149165.db2.gz AOGZWMCLLZVGBP-SNVBAGLBSA-N 2 2 261.753 -0.407 20 30 CBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878867233 584219270 /nfs/dbraw/zinc/21/92/70/584219270.db2.gz ILIWOZNHLSOVET-JSGCOSHPSA-N 2 2 267.373 -0.487 20 30 CBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878867233 584219272 /nfs/dbraw/zinc/21/92/72/584219272.db2.gz ILIWOZNHLSOVET-JSGCOSHPSA-N 2 2 267.373 -0.487 20 30 CBEDLP C#CC[N@H+](C)CCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000882222579 584310235 /nfs/dbraw/zinc/31/02/35/584310235.db2.gz SZSBOYSQDLUMJA-UHFFFAOYSA-N 2 2 284.385 -0.242 20 30 CBEDLP C#CC[N@@H+](C)CCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000882222579 584310237 /nfs/dbraw/zinc/31/02/37/584310237.db2.gz SZSBOYSQDLUMJA-UHFFFAOYSA-N 2 2 284.385 -0.242 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C[NH2+]C ZINC000884039908 584357059 /nfs/dbraw/zinc/35/70/59/584357059.db2.gz CIQLTKLDKQSIAE-QWRGUYRKSA-N 2 2 269.345 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH+](CCOC)CC1 ZINC000884182695 584364402 /nfs/dbraw/zinc/36/44/02/584364402.db2.gz QFBCBYJYHISYSV-LBPRGKRZSA-N 2 2 299.371 -0.776 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000884197726 584365562 /nfs/dbraw/zinc/36/55/62/584365562.db2.gz CPUDTWVXZXRRDR-MNOVXSKESA-N 2 2 269.345 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000884197726 584365564 /nfs/dbraw/zinc/36/55/64/584365564.db2.gz CPUDTWVXZXRRDR-MNOVXSKESA-N 2 2 269.345 -0.357 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)[NH+](C)C ZINC000884199234 584365689 /nfs/dbraw/zinc/36/56/89/584365689.db2.gz TWPVJKBVBFQJGF-UWVGGRQHSA-N 2 2 257.334 -0.501 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000884227162 584368814 /nfs/dbraw/zinc/36/88/14/584368814.db2.gz JTKXHRIBUXZNBZ-NEPJUHHUSA-N 2 2 283.372 -0.109 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000884227162 584368815 /nfs/dbraw/zinc/36/88/15/584368815.db2.gz JTKXHRIBUXZNBZ-NEPJUHHUSA-N 2 2 283.372 -0.109 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000884272948 584371209 /nfs/dbraw/zinc/37/12/09/584371209.db2.gz GUFVQPNJXRDGKX-MXWKQRLJSA-N 2 2 269.345 -0.310 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000884272947 584371274 /nfs/dbraw/zinc/37/12/74/584371274.db2.gz GUFVQPNJXRDGKX-DCAQKATOSA-N 2 2 269.345 -0.310 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000884272384 584371364 /nfs/dbraw/zinc/37/13/64/584371364.db2.gz WFRTYHLYDOFOGT-DCAQKATOSA-N 2 2 269.345 -0.358 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000884279399 584371809 /nfs/dbraw/zinc/37/18/09/584371809.db2.gz JVQNHKHJMWJGIF-GWCFXTLKSA-N 2 2 269.345 -0.370 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000884293024 584372421 /nfs/dbraw/zinc/37/24/21/584372421.db2.gz QMMQVXYYRSSANZ-QWRGUYRKSA-N 2 2 281.356 -0.309 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000884302258 584372759 /nfs/dbraw/zinc/37/27/59/584372759.db2.gz NESKUSKPWDGLCP-WDEREUQCSA-N 2 2 283.372 -0.063 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000884338988 584375113 /nfs/dbraw/zinc/37/51/13/584375113.db2.gz YJOUSLGCGJDXPD-QWRGUYRKSA-N 2 2 269.345 -0.371 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000884341538 584375501 /nfs/dbraw/zinc/37/55/01/584375501.db2.gz ZSTASJBTMHHVLH-TUAOUCFPSA-N 2 2 283.372 -0.124 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000884453294 584382547 /nfs/dbraw/zinc/38/25/47/584382547.db2.gz KUNOJQXUDHFRPU-STQMWFEESA-N 2 2 295.383 -0.014 20 30 CBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884458941 584383006 /nfs/dbraw/zinc/38/30/06/584383006.db2.gz QYOOWZRJKYTKLR-GUBZILKMSA-N 2 2 255.318 -0.619 20 30 CBEDLP C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCC[NH+](C)C)C1 ZINC000885509266 584416539 /nfs/dbraw/zinc/41/65/39/584416539.db2.gz RCPSWBQFTCOIRX-CYBMUJFWSA-N 2 2 287.429 -0.045 20 30 CBEDLP C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCC[NH+](C)C)C1 ZINC000885509266 584416541 /nfs/dbraw/zinc/41/65/41/584416541.db2.gz RCPSWBQFTCOIRX-CYBMUJFWSA-N 2 2 287.429 -0.045 20 30 CBEDLP CCNC(NCC[N@H+](C)CCOCCO)=[NH+]CC ZINC000887323696 584466487 /nfs/dbraw/zinc/46/64/87/584466487.db2.gz DYCMCAZVPINSPA-UHFFFAOYSA-N 2 2 260.382 -0.498 20 30 CBEDLP CCNC(NCC[N@@H+](C)CCOCCO)=[NH+]CC ZINC000887323696 584466490 /nfs/dbraw/zinc/46/64/90/584466490.db2.gz DYCMCAZVPINSPA-UHFFFAOYSA-N 2 2 260.382 -0.498 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884976 584744368 /nfs/dbraw/zinc/74/43/68/584744368.db2.gz VZZXLCSIOXRMIU-RYUDHWBXSA-N 2 2 276.340 -0.333 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898884976 584744369 /nfs/dbraw/zinc/74/43/69/584744369.db2.gz VZZXLCSIOXRMIU-RYUDHWBXSA-N 2 2 276.340 -0.333 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900812331 584828866 /nfs/dbraw/zinc/82/88/66/584828866.db2.gz VDZWFWZQSHIHSP-OLZOCXBDSA-N 2 2 268.405 -0.145 20 30 CBEDLP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900812331 584828868 /nfs/dbraw/zinc/82/88/68/584828868.db2.gz VDZWFWZQSHIHSP-OLZOCXBDSA-N 2 2 268.405 -0.145 20 30 CBEDLP C=CCNC(=O)CN1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903441307 584890452 /nfs/dbraw/zinc/89/04/52/584890452.db2.gz MRZCHAHZTQWZNR-KGLIPLIRSA-N 2 2 280.416 -0.238 20 30 CBEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000970761411 612962269 /nfs/dbraw/zinc/96/22/69/612962269.db2.gz CPNPKUGYYPYCNR-HUUCEWRRSA-N 2 2 291.395 -0.079 20 30 CBEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969442555 613123390 /nfs/dbraw/zinc/12/33/90/613123390.db2.gz RSENNBTWJKRBOD-AAEUAGOBSA-N 2 2 265.357 -0.613 20 30 CBEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969442555 613123391 /nfs/dbraw/zinc/12/33/91/613123391.db2.gz RSENNBTWJKRBOD-AAEUAGOBSA-N 2 2 265.357 -0.613 20 30 CBEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969440399 613536300 /nfs/dbraw/zinc/53/63/00/613536300.db2.gz GFXFYTJLKUSKEW-JSGCOSHPSA-N 2 2 279.384 -0.223 20 30 CBEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969440399 613536305 /nfs/dbraw/zinc/53/63/05/613536305.db2.gz GFXFYTJLKUSKEW-JSGCOSHPSA-N 2 2 279.384 -0.223 20 30 CBEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980893954 613552978 /nfs/dbraw/zinc/55/29/78/613552978.db2.gz RMTCQIFXGGFCCA-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP CC#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980893954 613552979 /nfs/dbraw/zinc/55/29/79/613552979.db2.gz RMTCQIFXGGFCCA-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980893954 613552980 /nfs/dbraw/zinc/55/29/80/613552980.db2.gz RMTCQIFXGGFCCA-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893954 613552981 /nfs/dbraw/zinc/55/29/81/613552981.db2.gz RMTCQIFXGGFCCA-CQSZACIVSA-N 2 2 279.384 -0.125 20 30 CBEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969442054 613662705 /nfs/dbraw/zinc/66/27/05/613662705.db2.gz OGVXLTWPBYPGQW-YPMHNXCESA-N 2 2 267.373 -0.061 20 30 CBEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969442054 613662708 /nfs/dbraw/zinc/66/27/08/613662708.db2.gz OGVXLTWPBYPGQW-YPMHNXCESA-N 2 2 267.373 -0.061 20 30 CBEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCO[C@H](COC)C1 ZINC000261951859 656128073 /nfs/dbraw/zinc/12/80/73/656128073.db2.gz OAGKDTUAFBWVKS-LBPRGKRZSA-N 2 2 270.377 -0.385 20 30 CBEDLP COCCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000303366436 656138993 /nfs/dbraw/zinc/13/89/93/656138993.db2.gz HEBQUMDDSRRDNK-CYBMUJFWSA-N 2 2 285.436 -0.191 20 30 CBEDLP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001002532034 656835933 /nfs/dbraw/zinc/83/59/33/656835933.db2.gz GAQOBDTZBMUKRA-CQSZACIVSA-N 2 2 279.384 -0.079 20 30 CBEDLP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001002532034 656835937 /nfs/dbraw/zinc/83/59/37/656835937.db2.gz GAQOBDTZBMUKRA-CQSZACIVSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007005409 656986641 /nfs/dbraw/zinc/98/66/41/656986641.db2.gz XPGBVYBPCNFQLE-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007005409 656986627 /nfs/dbraw/zinc/98/66/27/656986627.db2.gz XPGBVYBPCNFQLE-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007005409 656986651 /nfs/dbraw/zinc/98/66/51/656986651.db2.gz XPGBVYBPCNFQLE-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007005409 656986668 /nfs/dbraw/zinc/98/66/68/656986668.db2.gz XPGBVYBPCNFQLE-KBPBESRZSA-N 2 2 279.384 -0.079 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001007519038 657011481 /nfs/dbraw/zinc/01/14/81/657011481.db2.gz HMCAVPZEJSFPHZ-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001007519038 657011485 /nfs/dbraw/zinc/01/14/85/657011485.db2.gz HMCAVPZEJSFPHZ-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCO)C1 ZINC001007519038 657011488 /nfs/dbraw/zinc/01/14/88/657011488.db2.gz HMCAVPZEJSFPHZ-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCO)C1 ZINC001007519038 657011494 /nfs/dbraw/zinc/01/14/94/657011494.db2.gz HMCAVPZEJSFPHZ-KGLIPLIRSA-N 2 2 279.384 -0.343 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC000913550826 657540259 /nfs/dbraw/zinc/54/02/59/657540259.db2.gz CKIRQLIWTKOOIE-AWEZNQCLSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC000913550826 657540279 /nfs/dbraw/zinc/54/02/79/657540279.db2.gz CKIRQLIWTKOOIE-AWEZNQCLSA-N 2 2 279.384 -0.534 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001016305753 657685523 /nfs/dbraw/zinc/68/55/23/657685523.db2.gz MQAHKSGRNIWTAI-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001016305753 657685527 /nfs/dbraw/zinc/68/55/27/657685527.db2.gz MQAHKSGRNIWTAI-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016305753 657685535 /nfs/dbraw/zinc/68/55/35/657685535.db2.gz MQAHKSGRNIWTAI-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016305753 657685539 /nfs/dbraw/zinc/68/55/39/657685539.db2.gz MQAHKSGRNIWTAI-QWHCGFSZSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C2)CC1 ZINC001016335462 657693332 /nfs/dbraw/zinc/69/33/32/657693332.db2.gz DFPYFHFHPBEONO-ZDUSSCGKSA-N 2 2 292.383 -0.993 20 30 CBEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C2)CC1 ZINC001016335462 657693338 /nfs/dbraw/zinc/69/33/38/657693338.db2.gz DFPYFHFHPBEONO-ZDUSSCGKSA-N 2 2 292.383 -0.993 20 30 CBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000923583358 658338558 /nfs/dbraw/zinc/33/85/58/658338558.db2.gz LQYSYLYXCFTRQQ-AWEZNQCLSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC000923583358 658338561 /nfs/dbraw/zinc/33/85/61/658338561.db2.gz LQYSYLYXCFTRQQ-AWEZNQCLSA-N 2 2 279.384 -0.078 20 30 CBEDLP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000928656414 659061502 /nfs/dbraw/zinc/06/15/02/659061502.db2.gz UDZVAFYIVPIZRB-CYBMUJFWSA-N 2 2 265.357 -0.469 20 30 CBEDLP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000928656414 659061507 /nfs/dbraw/zinc/06/15/07/659061507.db2.gz UDZVAFYIVPIZRB-CYBMUJFWSA-N 2 2 265.357 -0.469 20 30 CBEDLP