smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC(=O)N1CCN(C(=O)C[NH+](C)C)[C@H](C#N)C1 ZINC000912535346 883994068 /nfs/dbraw/zinc/99/40/68/883994068.db2.gz LTDUOKQXVFNBOJ-LLVKDONJSA-N 2 2 281.360 -1.327 20 30 CAEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317469321 884200553 /nfs/dbraw/zinc/20/05/53/884200553.db2.gz DVCSHGZEFWHRSU-LBPRGKRZSA-N 2 2 280.372 -1.265 20 30 CAEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317469321 884200564 /nfs/dbraw/zinc/20/05/64/884200564.db2.gz DVCSHGZEFWHRSU-LBPRGKRZSA-N 2 2 280.372 -1.265 20 30 CAEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001317469321 884200585 /nfs/dbraw/zinc/20/05/85/884200585.db2.gz DVCSHGZEFWHRSU-LBPRGKRZSA-N 2 2 280.372 -1.265 20 30 CAEDLP C#CC[NH2+]CC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001340041502 885788827 /nfs/dbraw/zinc/78/88/27/885788827.db2.gz LDYIIKWLHCDHOP-UHFFFAOYSA-N 2 2 266.345 -1.511 20 30 CAEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047334005 884019790 /nfs/dbraw/zinc/01/97/90/884019790.db2.gz VOOHTRJGTXRIMC-IHRRRGAJSA-N 2 2 295.383 -1.156 20 30 CAEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047334005 884019805 /nfs/dbraw/zinc/01/98/05/884019805.db2.gz VOOHTRJGTXRIMC-IHRRRGAJSA-N 2 2 295.383 -1.156 20 30 CAEDLP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001047334005 884019819 /nfs/dbraw/zinc/01/98/19/884019819.db2.gz VOOHTRJGTXRIMC-IHRRRGAJSA-N 2 2 295.383 -1.156 20 30 CAEDLP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001047334005 884019836 /nfs/dbraw/zinc/01/98/36/884019836.db2.gz VOOHTRJGTXRIMC-IHRRRGAJSA-N 2 2 295.383 -1.156 20 30 CAEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317469321 884200536 /nfs/dbraw/zinc/20/05/36/884200536.db2.gz DVCSHGZEFWHRSU-LBPRGKRZSA-N 2 2 280.372 -1.265 20 30 CAEDLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001317656456 884233886 /nfs/dbraw/zinc/23/38/86/884233886.db2.gz INVWRTHPZQPWBX-UHFFFAOYSA-N 2 2 292.343 -1.052 20 30 CAEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCC(N)=O)cn2)CC1 ZINC001320150721 884379245 /nfs/dbraw/zinc/37/92/45/884379245.db2.gz ZKBYPGIKHDTIQD-UHFFFAOYSA-N 2 2 277.332 -1.363 20 30 CAEDLP CC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001320318760 884414581 /nfs/dbraw/zinc/41/45/81/884414581.db2.gz XZOJXAMMKZMASS-LLVKDONJSA-N 2 2 250.302 -1.027 20 30 CAEDLP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001321431578 884492894 /nfs/dbraw/zinc/49/28/94/884492894.db2.gz GXGDXFKRGIQQOQ-ONEGZZNKSA-N 2 2 289.339 -1.106 20 30 CAEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC001327002746 884853010 /nfs/dbraw/zinc/85/30/10/884853010.db2.gz MENHQVMPOYOUIG-RYUDHWBXSA-N 2 2 258.366 -1.295 20 30 CAEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC001327002745 884853185 /nfs/dbraw/zinc/85/31/85/884853185.db2.gz MENHQVMPOYOUIG-NWDGAFQWSA-N 2 2 258.366 -1.295 20 30 CAEDLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001331682363 885312222 /nfs/dbraw/zinc/31/22/22/885312222.db2.gz HMEQPPZKEKIAJD-GHMZBOCLSA-N 2 2 297.359 -2.213 20 30 CAEDLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001331682363 885312246 /nfs/dbraw/zinc/31/22/46/885312246.db2.gz HMEQPPZKEKIAJD-GHMZBOCLSA-N 2 2 297.359 -2.213 20 30 CAEDLP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001336658816 885676046 /nfs/dbraw/zinc/67/60/46/885676046.db2.gz KTMQAZGBYMVJST-SNVBAGLBSA-N 2 2 253.302 -1.427 20 30 CAEDLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001479970826 892494555 /nfs/dbraw/zinc/49/45/55/892494555.db2.gz TVHRZEFHDXANJE-NWDGAFQWSA-N 2 2 293.371 -1.232 20 30 CAEDLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001479970826 892494567 /nfs/dbraw/zinc/49/45/67/892494567.db2.gz TVHRZEFHDXANJE-NWDGAFQWSA-N 2 2 293.371 -1.232 20 30 CAEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001479970826 892494575 /nfs/dbraw/zinc/49/45/75/892494575.db2.gz TVHRZEFHDXANJE-NWDGAFQWSA-N 2 2 293.371 -1.232 20 30 CAEDLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001479970826 892494583 /nfs/dbraw/zinc/49/45/83/892494583.db2.gz TVHRZEFHDXANJE-NWDGAFQWSA-N 2 2 293.371 -1.232 20 30 CAEDLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001479970825 892494635 /nfs/dbraw/zinc/49/46/35/892494635.db2.gz TVHRZEFHDXANJE-NEPJUHHUSA-N 2 2 293.371 -1.232 20 30 CAEDLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001479970825 892494645 /nfs/dbraw/zinc/49/46/45/892494645.db2.gz TVHRZEFHDXANJE-NEPJUHHUSA-N 2 2 293.371 -1.232 20 30 CAEDLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001479970825 892494651 /nfs/dbraw/zinc/49/46/51/892494651.db2.gz TVHRZEFHDXANJE-NEPJUHHUSA-N 2 2 293.371 -1.232 20 30 CAEDLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001479970825 892494659 /nfs/dbraw/zinc/49/46/59/892494659.db2.gz TVHRZEFHDXANJE-NEPJUHHUSA-N 2 2 293.371 -1.232 20 30 CAEDLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001479970828 892495380 /nfs/dbraw/zinc/49/53/80/892495380.db2.gz TVHRZEFHDXANJE-VXGBXAGGSA-N 2 2 293.371 -1.232 20 30 CAEDLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001479970828 892495384 /nfs/dbraw/zinc/49/53/84/892495384.db2.gz TVHRZEFHDXANJE-VXGBXAGGSA-N 2 2 293.371 -1.232 20 30 CAEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001479970828 892495387 /nfs/dbraw/zinc/49/53/87/892495387.db2.gz TVHRZEFHDXANJE-VXGBXAGGSA-N 2 2 293.371 -1.232 20 30 CAEDLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001479970828 892495394 /nfs/dbraw/zinc/49/53/94/892495394.db2.gz TVHRZEFHDXANJE-VXGBXAGGSA-N 2 2 293.371 -1.232 20 30 CAEDLP N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480116952 892499989 /nfs/dbraw/zinc/49/99/89/892499989.db2.gz HVHWTZDDNBFNQB-JTQLQIEISA-N 2 2 290.327 -1.218 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480164292 892504126 /nfs/dbraw/zinc/50/41/26/892504126.db2.gz YPLIMCNTSXDQBF-XYPYZODXSA-N 2 2 289.339 -1.062 20 30 CAEDLP N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480228864 892507264 /nfs/dbraw/zinc/50/72/64/892507264.db2.gz LFGPILLXUKXSIF-AOOOYVTPSA-N 2 2 290.327 -1.171 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001480604922 892538439 /nfs/dbraw/zinc/53/84/39/892538439.db2.gz SPNKRYPFBMHDII-LLVKDONJSA-N 2 2 277.328 -1.273 20 30 CAEDLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NCC#N ZINC001480947471 892565710 /nfs/dbraw/zinc/56/57/10/892565710.db2.gz VWGHJMAZWBITQB-UHFFFAOYSA-N 2 2 281.360 -1.230 20 30 CAEDLP C[N@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NCC#N ZINC001480947471 892565696 /nfs/dbraw/zinc/56/56/96/892565696.db2.gz VWGHJMAZWBITQB-UHFFFAOYSA-N 2 2 281.360 -1.230 20 30 CAEDLP N#CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1 ZINC001483076271 892730473 /nfs/dbraw/zinc/73/04/73/892730473.db2.gz DFQHHIFXNCKJNX-OWOJBTEDSA-N 2 2 290.327 -1.146 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001484223442 892817169 /nfs/dbraw/zinc/81/71/69/892817169.db2.gz NAJSVRKSSINDCO-ZFWWWQNUSA-N 2 2 295.383 -1.371 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001484223442 892817183 /nfs/dbraw/zinc/81/71/83/892817183.db2.gz NAJSVRKSSINDCO-ZFWWWQNUSA-N 2 2 295.383 -1.371 20 30 CAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001484223442 892817199 /nfs/dbraw/zinc/81/71/99/892817199.db2.gz NAJSVRKSSINDCO-ZFWWWQNUSA-N 2 2 295.383 -1.371 20 30 CAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCO)C1 ZINC001484223442 892817208 /nfs/dbraw/zinc/81/72/08/892817208.db2.gz NAJSVRKSSINDCO-ZFWWWQNUSA-N 2 2 295.383 -1.371 20 30 CAEDLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC(=O)NCC#N ZINC001495749112 893488148 /nfs/dbraw/zinc/48/81/48/893488148.db2.gz UNRLRHPFKHAWGJ-JTQLQIEISA-N 2 2 292.343 -1.066 20 30 CAEDLP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496241562 893510754 /nfs/dbraw/zinc/51/07/54/893510754.db2.gz BWWZXWUITUIVAC-NSHDSACASA-N 2 2 292.343 -1.041 20 30 CAEDLP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496241543 893514989 /nfs/dbraw/zinc/51/49/89/893514989.db2.gz BWWZXWUITUIVAC-LLVKDONJSA-N 2 2 292.343 -1.041 20 30 CAEDLP C#CC[NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001497029127 893585669 /nfs/dbraw/zinc/58/56/69/893585669.db2.gz LHOYXYUWPFHNQI-NSHDSACASA-N 2 2 250.302 -1.027 20 30 CAEDLP COCC#CC[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001497125088 893608128 /nfs/dbraw/zinc/60/81/28/893608128.db2.gz FESSDUZFRDDOFB-GFCCVEGCSA-N 2 2 280.328 -1.400 20 30 CAEDLP COCC#CC[NH2+][C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001507219437 893999613 /nfs/dbraw/zinc/99/96/13/893999613.db2.gz CQDWJTDICBWHOB-CYBMUJFWSA-N 2 2 294.355 -1.010 20 30 CAEDLP COCC#CC[NH2+][C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001507219438 894000782 /nfs/dbraw/zinc/00/07/82/894000782.db2.gz CQDWJTDICBWHOB-ZDUSSCGKSA-N 2 2 294.355 -1.010 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000490866022 261230230 /nfs/dbraw/zinc/23/02/30/261230230.db2.gz LEKVYYCNUJCRBA-GFCCVEGCSA-N 2 2 251.330 -1.170 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000490866022 261230233 /nfs/dbraw/zinc/23/02/33/261230233.db2.gz LEKVYYCNUJCRBA-GFCCVEGCSA-N 2 2 251.330 -1.170 20 30 CAEDLP O[C@H]1COCC[N@H+](CC#CC[NH+]2CCOC[C@@H](O)C2)C1 ZINC000625452633 372859955 /nfs/dbraw/zinc/85/99/55/372859955.db2.gz UMFZUSSATKRCGP-OKILXGFUSA-N 2 2 284.356 -1.624 20 30 CAEDLP O[C@H]1COCC[N@@H+](CC#CC[NH+]2CCOC[C@@H](O)C2)C1 ZINC000625452633 372859964 /nfs/dbraw/zinc/85/99/64/372859964.db2.gz UMFZUSSATKRCGP-OKILXGFUSA-N 2 2 284.356 -1.624 20 30 CAEDLP O[C@H]1COCC[NH+](CC#CC[N@@H+]2CCOC[C@@H](O)C2)C1 ZINC000625452633 372859973 /nfs/dbraw/zinc/85/99/73/372859973.db2.gz UMFZUSSATKRCGP-OKILXGFUSA-N 2 2 284.356 -1.624 20 30 CAEDLP O[C@H]1COCC[NH+](CC#CC[N@H+]2CCOC[C@@H](O)C2)C1 ZINC000625452633 372859977 /nfs/dbraw/zinc/85/99/77/372859977.db2.gz UMFZUSSATKRCGP-OKILXGFUSA-N 2 2 284.356 -1.624 20 30 CAEDLP O[C@@H]1COCC[NH+](CC#CC[N@H+]2CCOC[C@@H](O)C2)C1 ZINC000625452632 372860602 /nfs/dbraw/zinc/86/06/02/372860602.db2.gz UMFZUSSATKRCGP-KBPBESRZSA-N 2 2 284.356 -1.624 20 30 CAEDLP O[C@@H]1COCC[NH+](CC#CC[N@@H+]2CCOC[C@@H](O)C2)C1 ZINC000625452632 372860612 /nfs/dbraw/zinc/86/06/12/372860612.db2.gz UMFZUSSATKRCGP-KBPBESRZSA-N 2 2 284.356 -1.624 20 30 CAEDLP C#CCNC(=O)CC[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000491694600 373025007 /nfs/dbraw/zinc/02/50/07/373025007.db2.gz VVZVROLLJDCKIN-LBPRGKRZSA-N 2 2 252.362 -1.039 20 30 CAEDLP C#CCNC(=O)CC[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000491694600 373025012 /nfs/dbraw/zinc/02/50/12/373025012.db2.gz VVZVROLLJDCKIN-LBPRGKRZSA-N 2 2 252.362 -1.039 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC000491351071 373017454 /nfs/dbraw/zinc/01/74/54/373017454.db2.gz RGRIKYBAWJCXRL-UONOGXRCSA-N 2 2 295.383 -1.561 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC000491351071 373017458 /nfs/dbraw/zinc/01/74/58/373017458.db2.gz RGRIKYBAWJCXRL-UONOGXRCSA-N 2 2 295.383 -1.561 20 30 CAEDLP C[N@@H+]1CCN(C(=O)Cn2cnc(C#N)n2)[C@H](C[NH3+])C1 ZINC000563969037 373020225 /nfs/dbraw/zinc/02/02/25/373020225.db2.gz ZCKDLRSEUTZREJ-SECBINFHSA-N 2 2 263.305 -1.749 20 30 CAEDLP C[N@H+]1CCN(C(=O)Cn2cnc(C#N)n2)[C@H](C[NH3+])C1 ZINC000563969037 373020230 /nfs/dbraw/zinc/02/02/30/373020230.db2.gz ZCKDLRSEUTZREJ-SECBINFHSA-N 2 2 263.305 -1.749 20 30 CAEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566689613 373950886 /nfs/dbraw/zinc/95/08/86/373950886.db2.gz AYUMWFUWEPPKIG-ZJUUUORDSA-N 2 2 295.343 -1.758 20 30 CAEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566689613 373950889 /nfs/dbraw/zinc/95/08/89/373950889.db2.gz AYUMWFUWEPPKIG-ZJUUUORDSA-N 2 2 295.343 -1.758 20 30 CAEDLP C=CCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579006236 373998386 /nfs/dbraw/zinc/99/83/86/373998386.db2.gz MVFHXFLZDWUYCM-VHSXEESVSA-N 2 2 252.318 -1.468 20 30 CAEDLP C=CCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579006236 373998392 /nfs/dbraw/zinc/99/83/92/373998392.db2.gz MVFHXFLZDWUYCM-VHSXEESVSA-N 2 2 252.318 -1.468 20 30 CAEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860530 782019691 /nfs/dbraw/zinc/01/96/91/782019691.db2.gz YPDFZAWTYCVSRR-CHWSQXEVSA-N 2 2 283.372 -1.251 20 30 CAEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860530 782019699 /nfs/dbraw/zinc/01/96/99/782019699.db2.gz YPDFZAWTYCVSRR-CHWSQXEVSA-N 2 2 283.372 -1.251 20 30 CAEDLP C=CCNC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031486 174025767 /nfs/dbraw/zinc/02/57/67/174025767.db2.gz MWNCIPVQXIMDQS-UHFFFAOYSA-N 2 2 254.334 -1.348 20 30 CAEDLP C=CCNC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031486 174025768 /nfs/dbraw/zinc/02/57/68/174025768.db2.gz 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C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C=C)CO)CC1 ZINC000852714682 582230632 /nfs/dbraw/zinc/23/06/32/582230632.db2.gz YOALDEIQNOGMGN-GFCCVEGCSA-N 2 2 251.330 -1.100 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC000859451230 582241291 /nfs/dbraw/zinc/24/12/91/582241291.db2.gz ZDRJJFQQKSBEGG-KBPBESRZSA-N 2 2 295.383 -1.704 20 30 CAEDLP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)N1CC[NH2+]CC1=O ZINC000876802533 582263311 /nfs/dbraw/zinc/26/33/11/582263311.db2.gz QAEPROOWKGBRFB-OPRDCNLKSA-N 2 2 265.317 -1.966 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)CC1 ZINC000878982903 582266968 /nfs/dbraw/zinc/26/69/68/582266968.db2.gz GUEDQLTZUROORQ-ZFWWWQNUSA-N 2 2 295.383 -1.419 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@]2(C)CO)CC1 ZINC000878982903 582266969 /nfs/dbraw/zinc/26/69/69/582266969.db2.gz GUEDQLTZUROORQ-ZFWWWQNUSA-N 2 2 295.383 -1.419 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@](C)(CO)COC)CC1 ZINC000879163350 582267216 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C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000960342426 613202922 /nfs/dbraw/zinc/20/29/22/613202922.db2.gz AMWJTDFQRKQSGT-KZVDOYCCSA-N 2 2 290.367 -1.384 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000960342426 613202923 /nfs/dbraw/zinc/20/29/23/613202923.db2.gz AMWJTDFQRKQSGT-KZVDOYCCSA-N 2 2 290.367 -1.384 20 30 CAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000960342426 613202925 /nfs/dbraw/zinc/20/29/25/613202925.db2.gz AMWJTDFQRKQSGT-KZVDOYCCSA-N 2 2 290.367 -1.384 20 30 CAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(N)=O)C[C@H]21 ZINC000960342426 613202926 /nfs/dbraw/zinc/20/29/26/613202926.db2.gz AMWJTDFQRKQSGT-KZVDOYCCSA-N 2 2 290.367 -1.384 20 30 CAEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC(N)=O)C2)CC1 ZINC001032207214 656472170 /nfs/dbraw/zinc/47/21/70/656472170.db2.gz HPULGVDIDBFSIU-UHFFFAOYSA-N 2 2 292.383 -1.135 20 30 CAEDLP C#CC[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133251772 776774048 /nfs/dbraw/zinc/77/40/48/776774048.db2.gz AWFSYHBIRJKIBN-LBPRGKRZSA-N 2 2 277.328 -1.204 20 30 CAEDLP C#CC[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133251772 776774055 /nfs/dbraw/zinc/77/40/55/776774055.db2.gz AWFSYHBIRJKIBN-LBPRGKRZSA-N 2 2 277.328 -1.204 20 30 CAEDLP C#CCC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001278214589 780515894 /nfs/dbraw/zinc/51/58/94/780515894.db2.gz WZALLAWXECTWGC-NSHDSACASA-N 2 2 250.302 -1.027 20 30 CAEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036997 782849678 /nfs/dbraw/zinc/84/96/78/782849678.db2.gz QZZXZHFVXRTWKX-KGLIPLIRSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036997 782849684 /nfs/dbraw/zinc/84/96/84/782849684.db2.gz QZZXZHFVXRTWKX-KGLIPLIRSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349864 775147222 /nfs/dbraw/zinc/14/72/22/775147222.db2.gz JBGVMSAUIZMPLS-UHFFFAOYSA-N 2 2 277.328 -1.203 20 30 CAEDLP CN(CC[NH2+]CC(=O)NCC#N)C(=O)CCn1cc[nH+]c1 ZINC001267411265 775240960 /nfs/dbraw/zinc/24/09/60/775240960.db2.gz SVQYIZSQBGOAAV-UHFFFAOYSA-N 2 2 292.343 -1.039 20 30 CAEDLP C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267678491 775284017 /nfs/dbraw/zinc/28/40/17/775284017.db2.gz FANKXJFZLKGDDF-CYBMUJFWSA-N 2 2 292.383 -1.122 20 30 CAEDLP C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267678491 775284020 /nfs/dbraw/zinc/28/40/20/775284020.db2.gz FANKXJFZLKGDDF-CYBMUJFWSA-N 2 2 292.383 -1.122 20 30 CAEDLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267749124 775299045 /nfs/dbraw/zinc/29/90/45/775299045.db2.gz KNZYGYIXQYSXOQ-LLVKDONJSA-N 2 2 281.360 -1.232 20 30 CAEDLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267749124 775299054 /nfs/dbraw/zinc/29/90/54/775299054.db2.gz KNZYGYIXQYSXOQ-LLVKDONJSA-N 2 2 281.360 -1.232 20 30 CAEDLP C#CC[NH2+]CCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001279867553 775459177 /nfs/dbraw/zinc/45/91/77/775459177.db2.gz CJAAXIVJYAVTSB-UHFFFAOYSA-N 2 2 250.302 -1.004 20 30 CAEDLP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268684995 775466432 /nfs/dbraw/zinc/46/64/32/775466432.db2.gz XWIPVPSZOIFCAA-RYUDHWBXSA-N 2 2 298.387 -1.287 20 30 CAEDLP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268684995 775466438 /nfs/dbraw/zinc/46/64/38/775466438.db2.gz XWIPVPSZOIFCAA-RYUDHWBXSA-N 2 2 298.387 -1.287 20 30 CAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436729 775519360 /nfs/dbraw/zinc/51/93/60/775519360.db2.gz JQZFPDIHYOGAJQ-UHFFFAOYSA-N 2 2 277.328 -1.203 20 30 CAEDLP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001271133308 775572942 /nfs/dbraw/zinc/57/29/42/775572942.db2.gz YGDKVBZLLOQDJR-UKRRQHHQSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001271133308 775572948 /nfs/dbraw/zinc/57/29/48/775572948.db2.gz YGDKVBZLLOQDJR-UKRRQHHQSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001271133308 775572954 /nfs/dbraw/zinc/57/29/54/775572954.db2.gz YGDKVBZLLOQDJR-UKRRQHHQSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001271133308 775572959 /nfs/dbraw/zinc/57/29/59/775572959.db2.gz YGDKVBZLLOQDJR-UKRRQHHQSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001271133306 775574289 /nfs/dbraw/zinc/57/42/89/775574289.db2.gz YGDKVBZLLOQDJR-DZGCQCFKSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001271133306 775574293 /nfs/dbraw/zinc/57/42/93/775574293.db2.gz YGDKVBZLLOQDJR-DZGCQCFKSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001271133306 775574301 /nfs/dbraw/zinc/57/43/01/775574301.db2.gz YGDKVBZLLOQDJR-DZGCQCFKSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001271133306 775574308 /nfs/dbraw/zinc/57/43/08/775574308.db2.gz YGDKVBZLLOQDJR-DZGCQCFKSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076811324 775760173 /nfs/dbraw/zinc/76/01/73/775760173.db2.gz KDTBWYMBBCIJMR-GRYCIOLGSA-N 2 2 251.330 -1.125 20 30 CAEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001076811324 775760179 /nfs/dbraw/zinc/76/01/79/775760179.db2.gz KDTBWYMBBCIJMR-GRYCIOLGSA-N 2 2 251.330 -1.125 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076811324 775760189 /nfs/dbraw/zinc/76/01/89/775760189.db2.gz KDTBWYMBBCIJMR-GRYCIOLGSA-N 2 2 251.330 -1.125 20 30 CAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001076811324 775760200 /nfs/dbraw/zinc/76/02/00/775760200.db2.gz KDTBWYMBBCIJMR-GRYCIOLGSA-N 2 2 251.330 -1.125 20 30 CAEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565375 775797374 /nfs/dbraw/zinc/79/73/74/775797374.db2.gz OQFZPEXJSLWUJC-YIYPIFLZSA-N 2 2 295.383 -1.110 20 30 CAEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565375 775797384 /nfs/dbraw/zinc/79/73/84/775797384.db2.gz OQFZPEXJSLWUJC-YIYPIFLZSA-N 2 2 295.383 -1.110 20 30 CAEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565375 775797395 /nfs/dbraw/zinc/79/73/95/775797395.db2.gz OQFZPEXJSLWUJC-YIYPIFLZSA-N 2 2 295.383 -1.110 20 30 CAEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565375 775797402 /nfs/dbraw/zinc/79/74/02/775797402.db2.gz OQFZPEXJSLWUJC-YIYPIFLZSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566455 775801010 /nfs/dbraw/zinc/80/10/10/775801010.db2.gz LGNYPGIXEQKFLR-YIYPIFLZSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566455 775801016 /nfs/dbraw/zinc/80/10/16/775801016.db2.gz LGNYPGIXEQKFLR-YIYPIFLZSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566455 775801024 /nfs/dbraw/zinc/80/10/24/775801024.db2.gz LGNYPGIXEQKFLR-YIYPIFLZSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077394944 775822586 /nfs/dbraw/zinc/82/25/86/775822586.db2.gz LKKYSBFGEINVHZ-VXGBXAGGSA-N 2 2 262.313 -1.014 20 30 CAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077394944 775822595 /nfs/dbraw/zinc/82/25/95/775822595.db2.gz LKKYSBFGEINVHZ-VXGBXAGGSA-N 2 2 262.313 -1.014 20 30 CAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179041 776128490 /nfs/dbraw/zinc/12/84/90/776128490.db2.gz PNUTUBOURYEPJX-VXGBXAGGSA-N 2 2 251.330 -1.123 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001078179041 776128493 /nfs/dbraw/zinc/12/84/93/776128493.db2.gz PNUTUBOURYEPJX-VXGBXAGGSA-N 2 2 251.330 -1.123 20 30 CAEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001078209512 776132577 /nfs/dbraw/zinc/13/25/77/776132577.db2.gz HYTGATAIRMVTJN-MGPQQGTHSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001078209512 776132582 /nfs/dbraw/zinc/13/25/82/776132582.db2.gz HYTGATAIRMVTJN-MGPQQGTHSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078209512 776132586 /nfs/dbraw/zinc/13/25/86/776132586.db2.gz HYTGATAIRMVTJN-MGPQQGTHSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078209512 776132593 /nfs/dbraw/zinc/13/25/93/776132593.db2.gz HYTGATAIRMVTJN-MGPQQGTHSA-N 2 2 295.383 -1.108 20 30 CAEDLP OC[C@@H]1C[N@H+](CC#CC[NH+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822476 776409264 /nfs/dbraw/zinc/40/92/64/776409264.db2.gz JTASQSYSXATCDM-XDQVBPFNSA-N 2 2 284.356 -2.440 20 30 CAEDLP OC[C@@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822476 776409266 /nfs/dbraw/zinc/40/92/66/776409266.db2.gz JTASQSYSXATCDM-XDQVBPFNSA-N 2 2 284.356 -2.440 20 30 CAEDLP OC[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822476 776409269 /nfs/dbraw/zinc/40/92/69/776409269.db2.gz JTASQSYSXATCDM-XDQVBPFNSA-N 2 2 284.356 -2.440 20 30 CAEDLP OC[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822476 776409272 /nfs/dbraw/zinc/40/92/72/776409272.db2.gz JTASQSYSXATCDM-XDQVBPFNSA-N 2 2 284.356 -2.440 20 30 CAEDLP OC[C@H]1C[N@H+](CC#CC[NH+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822475 776409651 /nfs/dbraw/zinc/40/96/51/776409651.db2.gz JTASQSYSXATCDM-LVEBTZEWSA-N 2 2 284.356 -2.440 20 30 CAEDLP OC[C@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822475 776409655 /nfs/dbraw/zinc/40/96/55/776409655.db2.gz JTASQSYSXATCDM-LVEBTZEWSA-N 2 2 284.356 -2.440 20 30 CAEDLP OC[C@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822475 776409657 /nfs/dbraw/zinc/40/96/57/776409657.db2.gz JTASQSYSXATCDM-LVEBTZEWSA-N 2 2 284.356 -2.440 20 30 CAEDLP OC[C@H]1C[NH+](CC#CC[N@H+]2C[C@@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822475 776409660 /nfs/dbraw/zinc/40/96/60/776409660.db2.gz JTASQSYSXATCDM-LVEBTZEWSA-N 2 2 284.356 -2.440 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957727 776439167 /nfs/dbraw/zinc/43/91/67/776439167.db2.gz MVEFHSFDYNIXTA-NEPJUHHUSA-N 2 2 263.341 -1.123 20 30 CAEDLP C#CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957727 776439169 /nfs/dbraw/zinc/43/91/69/776439169.db2.gz MVEFHSFDYNIXTA-NEPJUHHUSA-N 2 2 263.341 -1.123 20 30 CAEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078766 776444120 /nfs/dbraw/zinc/44/41/20/776444120.db2.gz HYTGATAIRMVTJN-RDBSUJKOSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078766 776444128 /nfs/dbraw/zinc/44/41/28/776444128.db2.gz HYTGATAIRMVTJN-RDBSUJKOSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078766 776444133 /nfs/dbraw/zinc/44/41/33/776444133.db2.gz HYTGATAIRMVTJN-RDBSUJKOSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078766 776444136 /nfs/dbraw/zinc/44/41/36/776444136.db2.gz HYTGATAIRMVTJN-RDBSUJKOSA-N 2 2 295.383 -1.108 20 30 CAEDLP N#CCNC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079642 776712917 /nfs/dbraw/zinc/71/29/17/776712917.db2.gz FZCWXIXYPUGDDR-UHFFFAOYSA-N 2 2 278.316 -1.381 20 30 CAEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397169 776813676 /nfs/dbraw/zinc/81/36/76/776813676.db2.gz KOLAGTJRYQNAKQ-SNVBAGLBSA-N 2 2 277.328 -1.204 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001283793778 777917934 /nfs/dbraw/zinc/91/79/34/777917934.db2.gz WTYZQSWRAXROKJ-VXGBXAGGSA-N 2 2 296.371 -2.103 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001283793778 777917941 /nfs/dbraw/zinc/91/79/41/777917941.db2.gz WTYZQSWRAXROKJ-VXGBXAGGSA-N 2 2 296.371 -2.103 20 30 CAEDLP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001284476079 777945759 /nfs/dbraw/zinc/94/57/59/777945759.db2.gz FKGIGNSLSZNGEO-ZDUSSCGKSA-N 2 2 294.355 -1.058 20 30 CAEDLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001149553208 779780111 /nfs/dbraw/zinc/78/01/11/779780111.db2.gz FYLHJRKVVZZFPE-UHFFFAOYSA-N 2 2 292.343 -1.302 20 30 CAEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500560 779839759 /nfs/dbraw/zinc/83/97/59/779839759.db2.gz PBVGTUKIVBMQMM-LLVKDONJSA-N 2 2 277.328 -1.273 20 30 CAEDLP C=CCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487799 779841325 /nfs/dbraw/zinc/84/13/25/779841325.db2.gz QCEOALRZUVAOFZ-UHFFFAOYSA-N 2 2 265.317 -1.109 20 30 CAEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCNC[C@H]1C#N ZINC001157982066 779922173 /nfs/dbraw/zinc/92/21/73/779922173.db2.gz IHNAICRCMHIDPT-MNOVXSKESA-N 2 2 262.317 -1.386 20 30 CAEDLP C#C[C@](C)([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001157998486 779924066 /nfs/dbraw/zinc/92/40/66/779924066.db2.gz GDXAZPRGDKBFRI-CABZTGNLSA-N 2 2 253.302 -1.300 20 30 CAEDLP C=CC[NH+]1CCN(C(=O)[C@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160432246 779958492 /nfs/dbraw/zinc/95/84/92/779958492.db2.gz QTWTXADMSBYREQ-GFCCVEGCSA-N 2 2 280.372 -1.353 20 30 CAEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2COC3(C[NH2+]C3)CN2)CC1 ZINC001160432247 779958757 /nfs/dbraw/zinc/95/87/57/779958757.db2.gz QTWTXADMSBYREQ-LBPRGKRZSA-N 2 2 280.372 -1.353 20 30 CAEDLP N#CCCN1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160482705 779962511 /nfs/dbraw/zinc/96/25/11/779962511.db2.gz KMRPLKMHDKUNIT-GXTWGEPZSA-N 2 2 277.372 -1.004 20 30 CAEDLP N#C[C@H]1COCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160934268 779987654 /nfs/dbraw/zinc/98/76/54/779987654.db2.gz ZRMYQCLPONJPSY-XNDJQWLSSA-N 2 2 250.302 -1.041 20 30 CAEDLP N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@@H]([NH3+])CC[NH3+])c1N ZINC001218596649 780174916 /nfs/dbraw/zinc/17/49/16/780174916.db2.gz KZPADKMNEFXOBC-QMMMGPOBSA-N 2 2 290.331 -1.701 20 30 CAEDLP N#CCC[NH2+]CC(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219622154 780241964 /nfs/dbraw/zinc/24/19/64/780241964.db2.gz OOUKIPIBYJXHTE-GXSJLCMTSA-N 2 2 258.297 -1.332 20 30 CAEDLP COC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220036886 780295489 /nfs/dbraw/zinc/29/54/89/780295489.db2.gz ZAGWUGQZIVKCHC-YUMQZZPRSA-N 2 2 272.330 -1.133 20 30 CAEDLP COC(=O)[C@H](CS)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220036773 780295780 /nfs/dbraw/zinc/29/57/80/780295780.db2.gz VLJPUOCULNRSJU-FYBVGQRMSA-N 2 2 273.358 -1.475 20 30 CAEDLP COC(=O)[C@H](CS)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220036775 780296247 /nfs/dbraw/zinc/29/62/47/780296247.db2.gz VLJPUOCULNRSJU-VHSKPIJISA-N 2 2 273.358 -1.475 20 30 CAEDLP C=C(C)C(=O)NCCCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220043213 780297630 /nfs/dbraw/zinc/29/76/30/780297630.db2.gz JKCQIZJXXRGOFZ-ZJUUUORDSA-N 2 2 254.334 -1.126 20 30 CAEDLP COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220415828 780346488 /nfs/dbraw/zinc/34/64/88/780346488.db2.gz YVNIWBGIBJVUQB-SFYZADRCSA-N 2 2 278.272 -1.003 20 30 CAEDLP COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220415845 780346972 /nfs/dbraw/zinc/34/69/72/780346972.db2.gz ZWIYDJFTPUUDFD-ZETCQYMHSA-N 2 2 266.261 -1.016 20 30 CAEDLP CCOC(=O)[C@@H](C#N)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220499303 780354793 /nfs/dbraw/zinc/35/47/93/780354793.db2.gz WMRXXWIDMMOUMC-MRVPVSSYSA-N 2 2 254.290 -1.361 20 30 CAEDLP CCOC(=O)[C@@H](C#N)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220499395 780355270 /nfs/dbraw/zinc/35/52/70/780355270.db2.gz XTQDMCQWRNDUOZ-HNBLOZHYSA-N 2 2 266.301 -1.220 20 30 CAEDLP N=C(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccc(C(N)=O)cc1 ZINC001220643401 780372059 /nfs/dbraw/zinc/37/20/59/780372059.db2.gz CYJMOILPDBPZCO-ZJUUUORDSA-N 2 2 275.312 -1.293 20 30 CAEDLP C#CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220767314 780381303 /nfs/dbraw/zinc/38/13/03/780381303.db2.gz ZCLNOKFJOWGKKX-NEPJUHHUSA-N 2 2 269.345 -1.641 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220767314 780381311 /nfs/dbraw/zinc/38/13/11/780381311.db2.gz ZCLNOKFJOWGKKX-NEPJUHHUSA-N 2 2 269.345 -1.641 20 30 CAEDLP N#CCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760342 781383680 /nfs/dbraw/zinc/38/36/80/781383680.db2.gz MUDVYODAAKZZRI-UHFFFAOYSA-N 2 2 264.289 -1.702 20 30 CAEDLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001171238084 781466623 /nfs/dbraw/zinc/46/66/23/781466623.db2.gz LMPZBYCBSOINRG-UHFFFAOYSA-N 2 2 292.343 -1.302 20 30 CAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124890 781512163 /nfs/dbraw/zinc/51/21/63/781512163.db2.gz XALYAQYNDPEBGR-UHFFFAOYSA-N 2 2 277.328 -1.284 20 30 CAEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147908508 781525619 /nfs/dbraw/zinc/52/56/19/781525619.db2.gz XMFZDCVIRBEJRY-LLVKDONJSA-N 2 2 291.355 -1.194 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576482 781806952 /nfs/dbraw/zinc/80/69/52/781806952.db2.gz SCEGEMUQQRHSFE-LLVKDONJSA-N 2 2 289.339 -1.108 20 30 CAEDLP C#CC[NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001326104846 884766373 /nfs/dbraw/zinc/76/63/73/884766373.db2.gz WVZGZCVSBDLJPS-UHFFFAOYSA-N 2 2 250.302 -1.004 20 30 CAEDLP C#CC[NH2+]CC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001340267628 885798064 /nfs/dbraw/zinc/79/80/64/885798064.db2.gz UTEGXYYCFGVVDI-GFCCVEGCSA-N 2 2 278.356 -1.368 20 30 CAEDLP C#CC[NH2+]CC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001341440948 885840712 /nfs/dbraw/zinc/84/07/12/885840712.db2.gz BETGWDAVQTVFEO-LBPRGKRZSA-N 2 2 269.345 -1.639 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001272033843 884098219 /nfs/dbraw/zinc/09/82/19/884098219.db2.gz XLJNVUOBWHESMQ-LBPRGKRZSA-N 2 2 280.372 -1.041 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001272033843 884098235 /nfs/dbraw/zinc/09/82/35/884098235.db2.gz XLJNVUOBWHESMQ-LBPRGKRZSA-N 2 2 280.372 -1.041 20 30 CAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001272033843 884098250 /nfs/dbraw/zinc/09/82/50/884098250.db2.gz XLJNVUOBWHESMQ-LBPRGKRZSA-N 2 2 280.372 -1.041 20 30 CAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001272033843 884098266 /nfs/dbraw/zinc/09/82/66/884098266.db2.gz XLJNVUOBWHESMQ-LBPRGKRZSA-N 2 2 280.372 -1.041 20 30 CAEDLP C#CCNC(=O)C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001318149711 884257279 /nfs/dbraw/zinc/25/72/79/884257279.db2.gz HKAMNNZXZCPWME-UHFFFAOYSA-N 2 2 280.372 -1.265 20 30 CAEDLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318276209 884267980 /nfs/dbraw/zinc/26/79/80/884267980.db2.gz KNZYGYIXQYSXOQ-NSHDSACASA-N 2 2 281.360 -1.232 20 30 CAEDLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318276209 884267993 /nfs/dbraw/zinc/26/79/93/884267993.db2.gz KNZYGYIXQYSXOQ-NSHDSACASA-N 2 2 281.360 -1.232 20 30 CAEDLP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cc1c[nH+]cn1C ZINC001321710186 884512944 /nfs/dbraw/zinc/51/29/44/884512944.db2.gz LVYYOEZNQKHNNU-SNVBAGLBSA-N 2 2 292.343 -1.303 20 30 CAEDLP COCC#CC[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001331817908 885352434 /nfs/dbraw/zinc/35/24/34/885352434.db2.gz BQNZEIZWZULCNV-LBPRGKRZSA-N 2 2 294.355 -1.023 20 30 CAEDLP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001336658815 885676063 /nfs/dbraw/zinc/67/60/63/885676063.db2.gz KTMQAZGBYMVJST-JTQLQIEISA-N 2 2 253.302 -1.427 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001480174567 892505070 /nfs/dbraw/zinc/50/50/70/892505070.db2.gz FUDLJYOYHHQKFW-HAQNSBGRSA-N 2 2 289.339 -1.131 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001480542054 892530492 /nfs/dbraw/zinc/53/04/92/892530492.db2.gz JDYFEAJARFAFQM-SNVBAGLBSA-N 2 2 277.328 -1.204 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001480561570 892535449 /nfs/dbraw/zinc/53/54/49/892535449.db2.gz LCOFIFMNFCHABO-JTQLQIEISA-N 2 2 277.328 -1.204 20 30 CAEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001480890839 892554451 /nfs/dbraw/zinc/55/44/51/892554451.db2.gz DQQFHFXPGXPDLG-UHFFFAOYSA-N 2 2 291.355 -1.011 20 30 CAEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001480890839 892554458 /nfs/dbraw/zinc/55/44/58/892554458.db2.gz DQQFHFXPGXPDLG-UHFFFAOYSA-N 2 2 291.355 -1.011 20 30 CAEDLP COCC#CC[NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001482754040 892689287 /nfs/dbraw/zinc/68/92/87/892689287.db2.gz QGBRCHRGSMFFHI-CYBMUJFWSA-N 2 2 294.355 -1.010 20 30 CAEDLP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483278036 892752763 /nfs/dbraw/zinc/75/27/63/892752763.db2.gz PSWZXOSMLWEPQF-JTQLQIEISA-N 2 2 277.328 -1.204 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001486061084 893008262 /nfs/dbraw/zinc/00/82/62/893008262.db2.gz HBQAKGDSOXSITG-LBPRGKRZSA-N 2 2 296.371 -2.102 20 30 CAEDLP CN(CC[NH2+]CC(=O)NCC#N)C(=O)Cc1[nH]cc[nH+]1 ZINC001493742411 893414359 /nfs/dbraw/zinc/41/43/59/893414359.db2.gz PXIGEAUNYJUUSQ-UHFFFAOYSA-N 2 2 278.316 -1.360 20 30 CAEDLP C#CCNC(=O)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001493809002 893418116 /nfs/dbraw/zinc/41/81/16/893418116.db2.gz CLYRXJJQFHQPGJ-UHFFFAOYSA-N 2 2 277.328 -1.320 20 30 CAEDLP COCC#CC[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001497125089 893608477 /nfs/dbraw/zinc/60/84/77/893608477.db2.gz FESSDUZFRDDOFB-LBPRGKRZSA-N 2 2 280.328 -1.400 20 30 CAEDLP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001503899122 893867675 /nfs/dbraw/zinc/86/76/75/893867675.db2.gz BEVAAHQZBUUSAB-ZDUSSCGKSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001503899122 893867696 /nfs/dbraw/zinc/86/76/96/893867696.db2.gz BEVAAHQZBUUSAB-ZDUSSCGKSA-N 2 2 295.383 -1.107 20 30 CAEDLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NCC#N ZINC001507164161 893961848 /nfs/dbraw/zinc/96/18/48/893961848.db2.gz PTYCWFFBHOMGQM-LLVKDONJSA-N 2 2 292.343 -1.041 20 30 CAEDLP O[C@H]1COCC[NH+](CC#CC[N@H+]2CCOC[C@H](O)C2)C1 ZINC000625452634 372860964 /nfs/dbraw/zinc/86/09/64/372860964.db2.gz UMFZUSSATKRCGP-ZIAGYGMSSA-N 2 2 284.356 -1.624 20 30 CAEDLP O[C@H]1COCC[NH+](CC#CC[N@@H+]2CCOC[C@H](O)C2)C1 ZINC000625452634 372860970 /nfs/dbraw/zinc/86/09/70/372860970.db2.gz UMFZUSSATKRCGP-ZIAGYGMSSA-N 2 2 284.356 -1.624 20 30 CAEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000264941832 373687488 /nfs/dbraw/zinc/68/74/88/373687488.db2.gz ABVQVSYRLBEINI-UHFFFAOYSA-N 2 2 280.372 -1.168 20 30 CAEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+](C)C)CC1 ZINC000264941832 373687492 /nfs/dbraw/zinc/68/74/92/373687492.db2.gz ABVQVSYRLBEINI-UHFFFAOYSA-N 2 2 280.372 -1.168 20 30 CAEDLP CO[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000451754876 373779011 /nfs/dbraw/zinc/77/90/11/373779011.db2.gz CTHICLRNZXPJSX-AAVRWANBSA-N 2 2 284.356 -1.627 20 30 CAEDLP CO[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000451754876 373779019 /nfs/dbraw/zinc/77/90/19/373779019.db2.gz CTHICLRNZXPJSX-AAVRWANBSA-N 2 2 284.356 -1.627 20 30 CAEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574705357 335041640 /nfs/dbraw/zinc/04/16/40/335041640.db2.gz YCGKQTHDDSEAHZ-GARJFASQSA-N 2 2 266.345 -1.079 20 30 CAEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000574705357 335041641 /nfs/dbraw/zinc/04/16/41/335041641.db2.gz YCGKQTHDDSEAHZ-GARJFASQSA-N 2 2 266.345 -1.079 20 30 CAEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574705355 335041831 /nfs/dbraw/zinc/04/18/31/335041831.db2.gz YCGKQTHDDSEAHZ-AXFHLTTASA-N 2 2 266.345 -1.079 20 30 CAEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000574705355 335041833 /nfs/dbraw/zinc/04/18/33/335041833.db2.gz YCGKQTHDDSEAHZ-AXFHLTTASA-N 2 2 266.345 -1.079 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(CO)CO)CC1 ZINC000491778099 262039109 /nfs/dbraw/zinc/03/91/09/262039109.db2.gz XVJGRXTVIJQDTD-UHFFFAOYSA-N 2 2 255.318 -2.293 20 30 CAEDLP C[NH+](C)C[C@@H](CO)NC[C@@H](O)C[N@H+](C)CCC#N ZINC000519155422 265342617 /nfs/dbraw/zinc/34/26/17/265342617.db2.gz DSTZUPMBJAUCLJ-NWDGAFQWSA-N 2 2 258.366 -1.295 20 30 CAEDLP C[NH+](C)C[C@@H](CO)NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000519155422 265342619 /nfs/dbraw/zinc/34/26/19/265342619.db2.gz DSTZUPMBJAUCLJ-NWDGAFQWSA-N 2 2 258.366 -1.295 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198690005 782070679 /nfs/dbraw/zinc/07/06/79/782070679.db2.gz RQEBELODDKZGNE-BFHYXJOUSA-N 2 2 295.383 -1.251 20 30 CAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198690005 782070687 /nfs/dbraw/zinc/07/06/87/782070687.db2.gz RQEBELODDKZGNE-BFHYXJOUSA-N 2 2 295.383 -1.251 20 30 CAEDLP C#CCOC[C@@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001251887454 782083140 /nfs/dbraw/zinc/08/31/40/782083140.db2.gz DBQVFLZUMYDFCL-NSHDSACASA-N 2 2 254.334 -1.231 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(CO)CCOCC2)CC1 ZINC000490741399 332111749 /nfs/dbraw/zinc/11/17/49/332111749.db2.gz REQOADFAZFWORQ-UHFFFAOYSA-N 2 2 295.383 -1.105 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000490741444 332111798 /nfs/dbraw/zinc/11/17/98/332111798.db2.gz VAWDWSWFAIEBDP-UONOGXRCSA-N 2 2 297.399 -1.173 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000490741444 332111799 /nfs/dbraw/zinc/11/17/99/332111799.db2.gz VAWDWSWFAIEBDP-UONOGXRCSA-N 2 2 297.399 -1.173 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000491021872 332139862 /nfs/dbraw/zinc/13/98/62/332139862.db2.gz ODMAEKUDNDZLDJ-STQMWFEESA-N 2 2 281.356 -1.809 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000491021872 332139864 /nfs/dbraw/zinc/13/98/64/332139864.db2.gz ODMAEKUDNDZLDJ-STQMWFEESA-N 2 2 281.356 -1.809 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC000491351069 332195248 /nfs/dbraw/zinc/19/52/48/332195248.db2.gz RGRIKYBAWJCXRL-KBPBESRZSA-N 2 2 295.383 -1.561 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC000491351069 332195250 /nfs/dbraw/zinc/19/52/50/332195250.db2.gz RGRIKYBAWJCXRL-KBPBESRZSA-N 2 2 295.383 -1.561 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000491619831 332245727 /nfs/dbraw/zinc/24/57/27/332245727.db2.gz CLDOVMUXJWCBGJ-CQSZACIVSA-N 2 2 294.355 -2.314 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)CC1 ZINC000491619831 332245728 /nfs/dbraw/zinc/24/57/28/332245728.db2.gz CLDOVMUXJWCBGJ-CQSZACIVSA-N 2 2 294.355 -2.314 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000491619825 332245734 /nfs/dbraw/zinc/24/57/34/332245734.db2.gz CLDOVMUXJWCBGJ-AWEZNQCLSA-N 2 2 294.355 -2.314 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000491619825 332245735 /nfs/dbraw/zinc/24/57/35/332245735.db2.gz CLDOVMUXJWCBGJ-AWEZNQCLSA-N 2 2 294.355 -2.314 20 30 CAEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000491694560 332290356 /nfs/dbraw/zinc/29/03/56/332290356.db2.gz VVZVROLLJDCKIN-GFCCVEGCSA-N 2 2 252.362 -1.039 20 30 CAEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000491694560 332290358 /nfs/dbraw/zinc/29/03/58/332290358.db2.gz VVZVROLLJDCKIN-GFCCVEGCSA-N 2 2 252.362 -1.039 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC[C@H]2C)CC1 ZINC000491705173 332298482 /nfs/dbraw/zinc/29/84/82/332298482.db2.gz IQADDCANIIJTJS-OCCSQVGLSA-N 2 2 292.383 -1.122 20 30 CAEDLP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001274716906 782158214 /nfs/dbraw/zinc/15/82/14/782158214.db2.gz XHDOSHTYRJJDCS-NEPJUHHUSA-N 2 2 296.371 -1.839 20 30 CAEDLP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001274716906 782158220 /nfs/dbraw/zinc/15/82/20/782158220.db2.gz XHDOSHTYRJJDCS-NEPJUHHUSA-N 2 2 296.371 -1.839 20 30 CAEDLP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275105695 782165805 /nfs/dbraw/zinc/16/58/05/782165805.db2.gz XHDOSHTYRJJDCS-NWDGAFQWSA-N 2 2 296.371 -1.839 20 30 CAEDLP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275105695 782165795 /nfs/dbraw/zinc/16/57/95/782165795.db2.gz XHDOSHTYRJJDCS-NWDGAFQWSA-N 2 2 296.371 -1.839 20 30 CAEDLP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000834485382 582124176 /nfs/dbraw/zinc/12/41/76/582124176.db2.gz VVDSWXNWAUMLNW-IUCAKERBSA-N 2 2 251.290 -2.354 20 30 CAEDLP C#CCN1CCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000748812336 582142702 /nfs/dbraw/zinc/14/27/02/582142702.db2.gz CISPACQFEFQUDZ-ZIAGYGMSSA-N 2 2 276.384 -1.085 20 30 CAEDLP C#CCN1CCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000748812333 582142714 /nfs/dbraw/zinc/14/27/14/582142714.db2.gz CISPACQFEFQUDZ-OKILXGFUSA-N 2 2 276.384 -1.085 20 30 CAEDLP C#CCN1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000748812333 582142715 /nfs/dbraw/zinc/14/27/15/582142715.db2.gz CISPACQFEFQUDZ-OKILXGFUSA-N 2 2 276.384 -1.085 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000808772781 582170392 /nfs/dbraw/zinc/17/03/92/582170392.db2.gz GZVWBHLBHGADJN-CYBMUJFWSA-N 2 2 292.383 -1.039 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000808772781 582170393 /nfs/dbraw/zinc/17/03/93/582170393.db2.gz GZVWBHLBHGADJN-CYBMUJFWSA-N 2 2 292.383 -1.039 20 30 CAEDLP CC1(C(N)=O)C[NH+](CC#CC[NH+]2CC(C)(C(N)=O)C2)C1 ZINC000829069726 582196531 /nfs/dbraw/zinc/19/65/31/582196531.db2.gz FLVXEUCSJSXDES-UHFFFAOYSA-N 2 2 278.356 -1.396 20 30 CAEDLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834498868 582210506 /nfs/dbraw/zinc/21/05/06/582210506.db2.gz CLZYPLHJNNMGFZ-QWRGUYRKSA-N 2 2 281.360 -1.329 20 30 CAEDLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834498868 582210508 /nfs/dbraw/zinc/21/05/08/582210508.db2.gz CLZYPLHJNNMGFZ-QWRGUYRKSA-N 2 2 281.360 -1.329 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(O)(CO)CC2)CC1 ZINC000852499777 582230288 /nfs/dbraw/zinc/23/02/88/582230288.db2.gz YQLKXXUXCVBXPI-UHFFFAOYSA-N 2 2 295.383 -1.417 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2[C@H](CO)CC[C@H]2CO)CC1 ZINC000878883123 582266771 /nfs/dbraw/zinc/26/67/71/582266771.db2.gz QVEPBYAZHDIZEU-KBPBESRZSA-N 2 2 295.383 -1.419 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000879003406 582267012 /nfs/dbraw/zinc/26/70/12/582267012.db2.gz ZZEDBOJWTUBOOH-AWEZNQCLSA-N 2 2 294.399 -1.628 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000879003406 582267013 /nfs/dbraw/zinc/26/70/13/582267013.db2.gz ZZEDBOJWTUBOOH-AWEZNQCLSA-N 2 2 294.399 -1.628 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@]2(C)CO)CC1 ZINC000878982896 582267020 /nfs/dbraw/zinc/26/70/20/582267020.db2.gz GUEDQLTZUROORQ-DZGCQCFKSA-N 2 2 295.383 -1.419 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@]2(C)CO)CC1 ZINC000878982896 582267021 /nfs/dbraw/zinc/26/70/21/582267021.db2.gz GUEDQLTZUROORQ-DZGCQCFKSA-N 2 2 295.383 -1.419 20 30 CAEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[NH+](CCO)CC1 ZINC000884284884 582274406 /nfs/dbraw/zinc/27/44/06/582274406.db2.gz UZWMSXHSDJBGGA-NSHDSACASA-N 2 2 285.344 -1.431 20 30 CAEDLP C[NH+](C)CC(=O)N1CCN(C(=O)C[NH+](C)C)[C@@H](C#N)C1 ZINC000912535492 656262550 /nfs/dbraw/zinc/26/25/50/656262550.db2.gz LTDUOKQXVFNBOJ-NSHDSACASA-N 2 2 281.360 -1.327 20 30 CAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913178572 656274546 /nfs/dbraw/zinc/27/45/46/656274546.db2.gz IDXMLJLRWYFKOF-GXTWGEPZSA-N 2 2 281.356 -1.449 20 30 CAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC000913178572 656274551 /nfs/dbraw/zinc/27/45/51/656274551.db2.gz IDXMLJLRWYFKOF-GXTWGEPZSA-N 2 2 281.356 -1.449 20 30 CAEDLP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031593565 656377554 /nfs/dbraw/zinc/37/75/54/656377554.db2.gz DDZNICKTCZKZBD-LBPRGKRZSA-N 2 2 251.330 -1.002 20 30 CAEDLP C#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031593565 656377559 /nfs/dbraw/zinc/37/75/59/656377559.db2.gz DDZNICKTCZKZBD-LBPRGKRZSA-N 2 2 251.330 -1.002 20 30 CAEDLP 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 ZINC001047426368 782476310 /nfs/dbraw/zinc/47/63/10/782476310.db2.gz HFJYXUMLJXXCAP-ZOBORPQBSA-N 2 2 295.383 -1.158 20 30 CAEDLP 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 ZINC001047426368 782476315 /nfs/dbraw/zinc/47/63/15/782476315.db2.gz HFJYXUMLJXXCAP-ZOBORPQBSA-N 2 2 295.383 -1.158 20 30 CAEDLP 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 ZINC001047426368 782476319 /nfs/dbraw/zinc/47/63/19/782476319.db2.gz HFJYXUMLJXXCAP-ZOBORPQBSA-N 2 2 295.383 -1.158 20 30 CAEDLP 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 ZINC001047426368 782476324 /nfs/dbraw/zinc/47/63/24/782476324.db2.gz HFJYXUMLJXXCAP-ZOBORPQBSA-N 2 2 295.383 -1.158 20 30 CAEDLP C=CCNC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239287334 780535180 /nfs/dbraw/zinc/53/51/80/780535180.db2.gz YGOWDGIUWYSCKU-UHFFFAOYSA-N 2 2 255.366 -1.034 20 30 CAEDLP CN(CC[NH2+]CC(=O)NCC#N)C(=O)Cc1c[nH+]cn1C ZINC001266989277 775191985 /nfs/dbraw/zinc/19/19/85/775191985.db2.gz WCOSYPIFCHUTNM-UHFFFAOYSA-N 2 2 292.343 -1.350 20 30 CAEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001267230585 775217178 /nfs/dbraw/zinc/21/71/78/775217178.db2.gz UKRIRSYTFQCQLR-UHFFFAOYSA-N 2 2 291.355 -1.011 20 30 CAEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001267230585 775217185 /nfs/dbraw/zinc/21/71/85/775217185.db2.gz UKRIRSYTFQCQLR-UHFFFAOYSA-N 2 2 291.355 -1.011 20 30 CAEDLP C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267698496 775286993 /nfs/dbraw/zinc/28/69/93/775286993.db2.gz AWQOEWJVOITZKN-ZDUSSCGKSA-N 2 2 292.383 -1.265 20 30 CAEDLP C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267698496 775286998 /nfs/dbraw/zinc/28/69/98/775286998.db2.gz AWQOEWJVOITZKN-ZDUSSCGKSA-N 2 2 292.383 -1.265 20 30 CAEDLP CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)CC[NH+](C)C ZINC001268246940 775388624 /nfs/dbraw/zinc/38/86/24/775388624.db2.gz IMUOTEIRZHYBLH-UHFFFAOYSA-N 2 2 283.376 -1.032 20 30 CAEDLP CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)CC[NH+](C)C ZINC001268246940 775388634 /nfs/dbraw/zinc/38/86/34/775388634.db2.gz IMUOTEIRZHYBLH-UHFFFAOYSA-N 2 2 283.376 -1.032 20 30 CAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083368332 775451111 /nfs/dbraw/zinc/45/11/11/775451111.db2.gz KDTBWYMBBCIJMR-WOPDTQHZSA-N 2 2 251.330 -1.125 20 30 CAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083368332 775451116 /nfs/dbraw/zinc/45/11/16/775451116.db2.gz KDTBWYMBBCIJMR-WOPDTQHZSA-N 2 2 251.330 -1.125 20 30 CAEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083368332 775451120 /nfs/dbraw/zinc/45/11/20/775451120.db2.gz KDTBWYMBBCIJMR-WOPDTQHZSA-N 2 2 251.330 -1.125 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083368332 775451124 /nfs/dbraw/zinc/45/11/24/775451124.db2.gz KDTBWYMBBCIJMR-WOPDTQHZSA-N 2 2 251.330 -1.125 20 30 CAEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385009 775455235 /nfs/dbraw/zinc/45/52/35/775455235.db2.gz BHLJMZPOROXUFH-AGIUHOORSA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385009 775455243 /nfs/dbraw/zinc/45/52/43/775455243.db2.gz BHLJMZPOROXUFH-AGIUHOORSA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385009 775455249 /nfs/dbraw/zinc/45/52/49/775455249.db2.gz BHLJMZPOROXUFH-AGIUHOORSA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385009 775455255 /nfs/dbraw/zinc/45/52/55/775455255.db2.gz BHLJMZPOROXUFH-AGIUHOORSA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001268670042 775464409 /nfs/dbraw/zinc/46/44/09/775464409.db2.gz QULFTUIRBSXYSG-LLVKDONJSA-N 2 2 291.355 -1.194 20 30 CAEDLP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268684993 775466716 /nfs/dbraw/zinc/46/67/16/775466716.db2.gz XWIPVPSZOIFCAA-NWDGAFQWSA-N 2 2 298.387 -1.287 20 30 CAEDLP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268684993 775466724 /nfs/dbraw/zinc/46/67/24/775466724.db2.gz XWIPVPSZOIFCAA-NWDGAFQWSA-N 2 2 298.387 -1.287 20 30 CAEDLP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001271133307 775574056 /nfs/dbraw/zinc/57/40/56/775574056.db2.gz YGDKVBZLLOQDJR-HIFRSBDPSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001271133307 775574064 /nfs/dbraw/zinc/57/40/64/775574064.db2.gz YGDKVBZLLOQDJR-HIFRSBDPSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001271133307 775574072 /nfs/dbraw/zinc/57/40/72/775574072.db2.gz YGDKVBZLLOQDJR-HIFRSBDPSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001271133307 775574084 /nfs/dbraw/zinc/57/40/84/775574084.db2.gz YGDKVBZLLOQDJR-HIFRSBDPSA-N 2 2 295.383 -1.107 20 30 CAEDLP CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@H]1CC[NH+](C)C1 ZINC001272172150 775682152 /nfs/dbraw/zinc/68/21/52/775682152.db2.gz KMJLNVZZUCEMCI-LBPRGKRZSA-N 2 2 295.387 -1.032 20 30 CAEDLP CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@H]1CC[NH+](C)C1 ZINC001272172150 775682156 /nfs/dbraw/zinc/68/21/56/775682156.db2.gz KMJLNVZZUCEMCI-LBPRGKRZSA-N 2 2 295.387 -1.032 20 30 CAEDLP CN(CC[NH+](C)CC(=O)NCC#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001272172150 775682158 /nfs/dbraw/zinc/68/21/58/775682158.db2.gz KMJLNVZZUCEMCI-LBPRGKRZSA-N 2 2 295.387 -1.032 20 30 CAEDLP CN(CC[NH+](C)CC(=O)NCC#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001272172150 775682166 /nfs/dbraw/zinc/68/21/66/775682166.db2.gz KMJLNVZZUCEMCI-LBPRGKRZSA-N 2 2 295.387 -1.032 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1O ZINC001083535739 775716867 /nfs/dbraw/zinc/71/68/67/775716867.db2.gz JFPKICWSAZJXLI-RDBSUJKOSA-N 2 2 295.383 -1.372 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O ZINC001083535739 775716871 /nfs/dbraw/zinc/71/68/71/775716871.db2.gz JFPKICWSAZJXLI-RDBSUJKOSA-N 2 2 295.383 -1.372 20 30 CAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083535739 775716876 /nfs/dbraw/zinc/71/68/76/775716876.db2.gz JFPKICWSAZJXLI-RDBSUJKOSA-N 2 2 295.383 -1.372 20 30 CAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1O ZINC001083535739 775716880 /nfs/dbraw/zinc/71/68/80/775716880.db2.gz JFPKICWSAZJXLI-RDBSUJKOSA-N 2 2 295.383 -1.372 20 30 CAEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001076838520 775764272 /nfs/dbraw/zinc/76/42/72/775764272.db2.gz BHLJMZPOROXUFH-JHJVBQTASA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001076838520 775764277 /nfs/dbraw/zinc/76/42/77/775764277.db2.gz BHLJMZPOROXUFH-JHJVBQTASA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838520 775764284 /nfs/dbraw/zinc/76/42/84/775764284.db2.gz BHLJMZPOROXUFH-JHJVBQTASA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001076838520 775764288 /nfs/dbraw/zinc/76/42/88/775764288.db2.gz BHLJMZPOROXUFH-JHJVBQTASA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@H]1O ZINC001077158868 775800924 /nfs/dbraw/zinc/80/09/24/775800924.db2.gz CBLBRHCCKGBUNE-HZSPNIEDSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@H]1O ZINC001077158868 775800933 /nfs/dbraw/zinc/80/09/33/775800933.db2.gz CBLBRHCCKGBUNE-HZSPNIEDSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001077158868 775800941 /nfs/dbraw/zinc/80/09/41/775800941.db2.gz CBLBRHCCKGBUNE-HZSPNIEDSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@H]1O ZINC001077158868 775800946 /nfs/dbraw/zinc/80/09/46/775800946.db2.gz CBLBRHCCKGBUNE-HZSPNIEDSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077220393 775805348 /nfs/dbraw/zinc/80/53/48/775805348.db2.gz LGNYPGIXEQKFLR-AAVRWANBSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077220393 775805355 /nfs/dbraw/zinc/80/53/55/775805355.db2.gz LGNYPGIXEQKFLR-AAVRWANBSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077220393 775805364 /nfs/dbraw/zinc/80/53/64/775805364.db2.gz LGNYPGIXEQKFLR-AAVRWANBSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077220393 775805372 /nfs/dbraw/zinc/80/53/72/775805372.db2.gz LGNYPGIXEQKFLR-AAVRWANBSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725904 775950774 /nfs/dbraw/zinc/95/07/74/775950774.db2.gz SKOPIRFXKPYKFB-RDBSUJKOSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725904 775950777 /nfs/dbraw/zinc/95/07/77/775950777.db2.gz SKOPIRFXKPYKFB-RDBSUJKOSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725904 775950784 /nfs/dbraw/zinc/95/07/84/775950784.db2.gz SKOPIRFXKPYKFB-RDBSUJKOSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725904 775950792 /nfs/dbraw/zinc/95/07/92/775950792.db2.gz SKOPIRFXKPYKFB-RDBSUJKOSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077565666 775997033 /nfs/dbraw/zinc/99/70/33/775997033.db2.gz SKOPIRFXKPYKFB-MCIONIFRSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077565666 775997041 /nfs/dbraw/zinc/99/70/41/775997041.db2.gz SKOPIRFXKPYKFB-MCIONIFRSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077565666 775997049 /nfs/dbraw/zinc/99/70/49/775997049.db2.gz SKOPIRFXKPYKFB-MCIONIFRSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077565666 775997053 /nfs/dbraw/zinc/99/70/53/775997053.db2.gz SKOPIRFXKPYKFB-MCIONIFRSA-N 2 2 295.383 -1.110 20 30 CAEDLP OC[C@H]1C[N@H+](CC#CC[NH+]2C[C@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822474 776409000 /nfs/dbraw/zinc/40/90/00/776409000.db2.gz JTASQSYSXATCDM-CRWXNKLISA-N 2 2 284.356 -2.440 20 30 CAEDLP OC[C@H]1C[N@@H+](CC#CC[NH+]2C[C@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822474 776409002 /nfs/dbraw/zinc/40/90/02/776409002.db2.gz JTASQSYSXATCDM-CRWXNKLISA-N 2 2 284.356 -2.440 20 30 CAEDLP OC[C@H]1C[NH+](CC#CC[N@@H+]2C[C@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822474 776409007 /nfs/dbraw/zinc/40/90/07/776409007.db2.gz JTASQSYSXATCDM-CRWXNKLISA-N 2 2 284.356 -2.440 20 30 CAEDLP OC[C@H]1C[NH+](CC#CC[N@H+]2C[C@H](O)[C@H](CO)C2)C[C@@H]1O ZINC001118822474 776409010 /nfs/dbraw/zinc/40/90/10/776409010.db2.gz JTASQSYSXATCDM-CRWXNKLISA-N 2 2 284.356 -2.440 20 30 CAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053033 776443610 /nfs/dbraw/zinc/44/36/10/776443610.db2.gz QIICCZJUSITTPV-UTUOFQBUSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053033 776443613 /nfs/dbraw/zinc/44/36/13/776443613.db2.gz QIICCZJUSITTPV-UTUOFQBUSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053033 776443615 /nfs/dbraw/zinc/44/36/15/776443615.db2.gz QIICCZJUSITTPV-UTUOFQBUSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053033 776443618 /nfs/dbraw/zinc/44/36/18/776443618.db2.gz QIICCZJUSITTPV-UTUOFQBUSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078765 776443720 /nfs/dbraw/zinc/44/37/20/776443720.db2.gz HYTGATAIRMVTJN-HZSPNIEDSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078765 776443722 /nfs/dbraw/zinc/44/37/22/776443722.db2.gz HYTGATAIRMVTJN-HZSPNIEDSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078765 776443724 /nfs/dbraw/zinc/44/37/24/776443724.db2.gz HYTGATAIRMVTJN-HZSPNIEDSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078765 776443727 /nfs/dbraw/zinc/44/37/27/776443727.db2.gz HYTGATAIRMVTJN-HZSPNIEDSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053032 776444019 /nfs/dbraw/zinc/44/40/19/776444019.db2.gz QIICCZJUSITTPV-TUAOUCFPSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001084053032 776444023 /nfs/dbraw/zinc/44/40/23/776444023.db2.gz QIICCZJUSITTPV-TUAOUCFPSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053032 776444029 /nfs/dbraw/zinc/44/40/29/776444029.db2.gz QIICCZJUSITTPV-TUAOUCFPSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001084053032 776444032 /nfs/dbraw/zinc/44/40/32/776444032.db2.gz QIICCZJUSITTPV-TUAOUCFPSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058217 776446143 /nfs/dbraw/zinc/44/61/43/776446143.db2.gz PNUTUBOURYEPJX-NEPJUHHUSA-N 2 2 251.330 -1.123 20 30 CAEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084058217 776446147 /nfs/dbraw/zinc/44/61/47/776446147.db2.gz PNUTUBOURYEPJX-NEPJUHHUSA-N 2 2 251.330 -1.123 20 30 CAEDLP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397168 776814250 /nfs/dbraw/zinc/81/42/50/776814250.db2.gz KOLAGTJRYQNAKQ-JTQLQIEISA-N 2 2 277.328 -1.204 20 30 CAEDLP N#CCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407064 776815619 /nfs/dbraw/zinc/81/56/19/776815619.db2.gz PFXWKYVQUWZEGY-UHFFFAOYSA-N 2 2 264.289 -1.702 20 30 CAEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135075758 776836122 /nfs/dbraw/zinc/83/61/22/776836122.db2.gz XTQTZPRMRICLSF-SNVBAGLBSA-N 2 2 292.343 -1.066 20 30 CAEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135075757 776836577 /nfs/dbraw/zinc/83/65/77/776836577.db2.gz XTQTZPRMRICLSF-JTQLQIEISA-N 2 2 292.343 -1.066 20 30 CAEDLP N#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001283827363 777922506 /nfs/dbraw/zinc/92/25/06/777922506.db2.gz LFTMRAUXIWHBHP-LLVKDONJSA-N 2 2 297.359 -2.211 20 30 CAEDLP C#CC[NH2+]CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001122484450 779670615 /nfs/dbraw/zinc/67/06/15/779670615.db2.gz UKTIRBYBDRSESW-GXTWGEPZSA-N 2 2 281.356 -1.449 20 30 CAEDLP C#CC[NH2+]CC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001122484450 779670626 /nfs/dbraw/zinc/67/06/26/779670626.db2.gz UKTIRBYBDRSESW-GXTWGEPZSA-N 2 2 281.356 -1.449 20 30 CAEDLP N#CCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487929 779840957 /nfs/dbraw/zinc/84/09/57/779840957.db2.gz SUPDNGWPBOBBMI-UHFFFAOYSA-N 2 2 264.289 -1.771 20 30 CAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487982 779841255 /nfs/dbraw/zinc/84/12/55/779841255.db2.gz XTEHRAADHQQDOC-UHFFFAOYSA-N 2 2 263.301 -1.662 20 30 CAEDLP C#C[C@](C)([NH3+])C(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001157998487 779923807 /nfs/dbraw/zinc/92/38/07/779923807.db2.gz GDXAZPRGDKBFRI-SKDRFNHKSA-N 2 2 253.302 -1.300 20 30 CAEDLP N#CCCN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001160483747 779963010 /nfs/dbraw/zinc/96/30/10/779963010.db2.gz NAEYIGYAIUXLOZ-MNOVXSKESA-N 2 2 251.334 -1.267 20 30 CAEDLP N#C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCO1 ZINC001160879974 779984850 /nfs/dbraw/zinc/98/48/50/779984850.db2.gz VYYWNIHUTCKFAG-FOGDFJRCSA-N 2 2 250.302 -1.311 20 30 CAEDLP N#C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001160878851 779985365 /nfs/dbraw/zinc/98/53/65/779985365.db2.gz LNBKCZMBDVDDIV-XWLWVQCSSA-N 2 2 250.302 -1.313 20 30 CAEDLP N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001160878855 779985451 /nfs/dbraw/zinc/98/54/51/779985451.db2.gz LNBKCZMBDVDDIV-ZRUFSTJUSA-N 2 2 250.302 -1.313 20 30 CAEDLP N#C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCO1 ZINC001160879976 779985468 /nfs/dbraw/zinc/98/54/68/779985468.db2.gz VYYWNIHUTCKFAG-HOSYDEDBSA-N 2 2 250.302 -1.311 20 30 CAEDLP N#C[C@@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001160878229 779985513 /nfs/dbraw/zinc/98/55/13/779985513.db2.gz HRKQEZRGRXIMPW-BFLSOPEQSA-N 2 2 250.302 -1.041 20 30 CAEDLP N#C[C@@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCO1 ZINC001160879973 779985583 /nfs/dbraw/zinc/98/55/83/779985583.db2.gz VYYWNIHUTCKFAG-CKYFFXLPSA-N 2 2 250.302 -1.311 20 30 CAEDLP COC(=O)C1(C#N)CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001161491949 780017819 /nfs/dbraw/zinc/01/78/19/780017819.db2.gz KFWXKLMNTNOOBS-UWVGGRQHSA-N 2 2 280.328 -1.162 20 30 CAEDLP N=C(c1nonc1N)N(O)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218517010 780166775 /nfs/dbraw/zinc/16/67/75/780166775.db2.gz LNPWKDAINMPHRK-UHFFFAOYSA-N 2 2 283.292 -1.463 20 30 CAEDLP N=C(c1nonc1N)N(O)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218518729 780168318 /nfs/dbraw/zinc/16/83/18/780168318.db2.gz TWWDUUBHAKFUMX-BYPYZUCNSA-N 2 2 289.321 -1.786 20 30 CAEDLP N#Cc1nc(N)c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)nc1C#N ZINC001218594651 780173021 /nfs/dbraw/zinc/17/30/21/780173021.db2.gz HTVSOLRSBLAVMD-FWXDICJISA-N 2 2 298.310 -1.038 20 30 CAEDLP N#Cc1[nH]cnc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218595466 780173525 /nfs/dbraw/zinc/17/35/25/780173525.db2.gz NIXVUIWSNSQXQG-SECBINFHSA-N 2 2 277.332 -1.030 20 30 CAEDLP N#Cc1nc(N)c(NC(=O)[C@@H]([NH3+])CC[NH3+])nc1C#N ZINC001218595066 780173618 /nfs/dbraw/zinc/17/36/18/780173618.db2.gz LLNBLUXOAMNXKT-YFKPBYRVSA-N 2 2 260.261 -1.583 20 30 CAEDLP COC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220036338 780295800 /nfs/dbraw/zinc/29/58/00/780295800.db2.gz MSAZZKPLWUUBIA-IUCAKERBSA-N 2 2 286.357 -1.123 20 30 CAEDLP COC(=O)[C@H](CS)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220036772 780295895 /nfs/dbraw/zinc/29/58/95/780295895.db2.gz VLJPUOCULNRSJU-DKCNOQQISA-N 2 2 273.358 -1.475 20 30 CAEDLP C=C(C)C(=O)OCCNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220124581 780307471 /nfs/dbraw/zinc/30/74/71/780307471.db2.gz DBODZQZZSAQBOJ-LBPRGKRZSA-N 2 2 298.387 -1.028 20 30 CAEDLP C=C(C)C(=O)OCCNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001220124580 780308188 /nfs/dbraw/zinc/30/81/88/780308188.db2.gz DBODZQZZSAQBOJ-GFCCVEGCSA-N 2 2 298.387 -1.028 20 30 CAEDLP CCOC(=O)[C@H](C#N)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220499304 780353108 /nfs/dbraw/zinc/35/31/08/780353108.db2.gz WMRXXWIDMMOUMC-QMMMGPOBSA-N 2 2 254.290 -1.361 20 30 CAEDLP CCOC(=O)[C@H](C#N)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220498879 780354681 /nfs/dbraw/zinc/35/46/81/780354681.db2.gz MWBOUWWSPMKXCT-IUCAKERBSA-N 2 2 265.273 -1.149 20 30 CAEDLP CCOC(=O)[C@H](C#N)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220498877 780354825 /nfs/dbraw/zinc/35/48/25/780354825.db2.gz MWBOUWWSPMKXCT-BDAKNGLRSA-N 2 2 265.273 -1.149 20 30 CAEDLP CCOC(=O)[C@@H](C#N)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220498880 780354892 /nfs/dbraw/zinc/35/48/92/780354892.db2.gz MWBOUWWSPMKXCT-RKDXNWHRSA-N 2 2 265.273 -1.149 20 30 CAEDLP CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220498878 780354998 /nfs/dbraw/zinc/35/49/98/780354998.db2.gz MWBOUWWSPMKXCT-DTWKUNHWSA-N 2 2 265.273 -1.149 20 30 CAEDLP CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220499125 780355153 /nfs/dbraw/zinc/35/51/53/780355153.db2.gz RZYAFOWYINCPDF-AXTSPUMRSA-N 2 2 266.301 -1.492 20 30 CAEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H](C#N)C(N)=O ZINC001220527252 780361397 /nfs/dbraw/zinc/36/13/97/780361397.db2.gz HBJFKYSMBSZUJX-JGVFFNPUSA-N 2 2 250.262 -2.216 20 30 CAEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975897 780401160 /nfs/dbraw/zinc/40/11/60/780401160.db2.gz ACCDAZNKLMIIAT-MJBXVCDLSA-N 2 2 295.383 -1.251 20 30 CAEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975897 780401166 /nfs/dbraw/zinc/40/11/66/780401166.db2.gz ACCDAZNKLMIIAT-MJBXVCDLSA-N 2 2 295.383 -1.251 20 30 CAEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220975897 780401173 /nfs/dbraw/zinc/40/11/73/780401173.db2.gz ACCDAZNKLMIIAT-MJBXVCDLSA-N 2 2 295.383 -1.251 20 30 CAEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220975897 780401180 /nfs/dbraw/zinc/40/11/80/780401180.db2.gz ACCDAZNKLMIIAT-MJBXVCDLSA-N 2 2 295.383 -1.251 20 30 CAEDLP C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001278131177 780508367 /nfs/dbraw/zinc/50/83/67/780508367.db2.gz ZVIGHWZRZYDVRB-NWDGAFQWSA-N 2 2 298.387 -1.551 20 30 CAEDLP C=CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001278131177 780508373 /nfs/dbraw/zinc/50/83/73/780508373.db2.gz ZVIGHWZRZYDVRB-NWDGAFQWSA-N 2 2 298.387 -1.551 20 30 CAEDLP C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001278131178 780508590 /nfs/dbraw/zinc/50/85/90/780508590.db2.gz ZVIGHWZRZYDVRB-VXGBXAGGSA-N 2 2 298.387 -1.551 20 30 CAEDLP C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001278131178 780508596 /nfs/dbraw/zinc/50/85/96/780508596.db2.gz ZVIGHWZRZYDVRB-VXGBXAGGSA-N 2 2 298.387 -1.551 20 30 CAEDLP COCC#CC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001278164784 780511192 /nfs/dbraw/zinc/51/11/92/780511192.db2.gz NDJSNEGABRQIFQ-GFCCVEGCSA-N 2 2 280.328 -1.331 20 30 CAEDLP C=CCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135759711 781383717 /nfs/dbraw/zinc/38/37/17/781383717.db2.gz CDALOYQEHIKJTB-UHFFFAOYSA-N 2 2 265.317 -1.040 20 30 CAEDLP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760150 781384039 /nfs/dbraw/zinc/38/40/39/781384039.db2.gz JITYNUCPHFBTSR-JTQLQIEISA-N 2 2 277.328 -1.204 20 30 CAEDLP C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171236746 781465514 /nfs/dbraw/zinc/46/55/14/781465514.db2.gz AEFMQIXRWQAAQF-UHFFFAOYSA-N 2 2 291.355 -1.192 20 30 CAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871518 781524581 /nfs/dbraw/zinc/52/45/81/781524581.db2.gz ACUXHPAKQVAJQM-UHFFFAOYSA-N 2 2 277.328 -1.582 20 30 CAEDLP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185918128 781791761 /nfs/dbraw/zinc/79/17/61/781791761.db2.gz HVHWTZDDNBFNQB-SNVBAGLBSA-N 2 2 290.327 -1.218 20 30 CAEDLP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001332616946 885426233 /nfs/dbraw/zinc/42/62/33/885426233.db2.gz AZWCIQFHVDBPIM-OLZOCXBDSA-N 2 2 283.372 -1.299 20 30 CAEDLP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001332616946 885426251 /nfs/dbraw/zinc/42/62/51/885426251.db2.gz AZWCIQFHVDBPIM-OLZOCXBDSA-N 2 2 283.372 -1.299 20 30 CAEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC001327002747 884854516 /nfs/dbraw/zinc/85/45/16/884854516.db2.gz MENHQVMPOYOUIG-VXGBXAGGSA-N 2 2 258.366 -1.295 20 30 CAEDLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001331682368 885308592 /nfs/dbraw/zinc/30/85/92/885308592.db2.gz HMEQPPZKEKIAJD-WDEREUQCSA-N 2 2 297.359 -2.213 20 30 CAEDLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001331682368 885308615 /nfs/dbraw/zinc/30/86/15/885308615.db2.gz HMEQPPZKEKIAJD-WDEREUQCSA-N 2 2 297.359 -2.213 20 30 CAEDLP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001332616946 885426223 /nfs/dbraw/zinc/42/62/23/885426223.db2.gz AZWCIQFHVDBPIM-OLZOCXBDSA-N 2 2 283.372 -1.299 20 30 CAEDLP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001332616947 885425952 /nfs/dbraw/zinc/42/59/52/885425952.db2.gz AZWCIQFHVDBPIM-QWHCGFSZSA-N 2 2 283.372 -1.299 20 30 CAEDLP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001332616947 885425962 /nfs/dbraw/zinc/42/59/62/885425962.db2.gz AZWCIQFHVDBPIM-QWHCGFSZSA-N 2 2 283.372 -1.299 20 30 CAEDLP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001332616947 885425985 /nfs/dbraw/zinc/42/59/85/885425985.db2.gz AZWCIQFHVDBPIM-QWHCGFSZSA-N 2 2 283.372 -1.299 20 30 CAEDLP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001332616948 885427656 /nfs/dbraw/zinc/42/76/56/885427656.db2.gz AZWCIQFHVDBPIM-STQMWFEESA-N 2 2 283.372 -1.299 20 30 CAEDLP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001332616948 885427662 /nfs/dbraw/zinc/42/76/62/885427662.db2.gz AZWCIQFHVDBPIM-STQMWFEESA-N 2 2 283.372 -1.299 20 30 CAEDLP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001332616948 885427681 /nfs/dbraw/zinc/42/76/81/885427681.db2.gz AZWCIQFHVDBPIM-STQMWFEESA-N 2 2 283.372 -1.299 20 30 CAEDLP O[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001333441962 885480364 /nfs/dbraw/zinc/48/03/64/885480364.db2.gz IFTZKSODPWNMNJ-MQYQWHSLSA-N 2 2 284.356 -2.155 20 30 CAEDLP O[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001333441962 885480381 /nfs/dbraw/zinc/48/03/81/885480381.db2.gz IFTZKSODPWNMNJ-MQYQWHSLSA-N 2 2 284.356 -2.155 20 30 CAEDLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001479970827 892495921 /nfs/dbraw/zinc/49/59/21/892495921.db2.gz TVHRZEFHDXANJE-RYUDHWBXSA-N 2 2 293.371 -1.232 20 30 CAEDLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001479970827 892495925 /nfs/dbraw/zinc/49/59/25/892495925.db2.gz TVHRZEFHDXANJE-RYUDHWBXSA-N 2 2 293.371 -1.232 20 30 CAEDLP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001479970827 892495927 /nfs/dbraw/zinc/49/59/27/892495927.db2.gz TVHRZEFHDXANJE-RYUDHWBXSA-N 2 2 293.371 -1.232 20 30 CAEDLP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001479970827 892495934 /nfs/dbraw/zinc/49/59/34/892495934.db2.gz TVHRZEFHDXANJE-RYUDHWBXSA-N 2 2 293.371 -1.232 20 30 CAEDLP N#CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1 ZINC001483076272 892729938 /nfs/dbraw/zinc/72/99/38/892729938.db2.gz DFQHHIFXNCKJNX-UPHRSURJSA-N 2 2 290.327 -1.146 20 30 CAEDLP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483118554 892733361 /nfs/dbraw/zinc/73/33/61/892733361.db2.gz XWIPVPSZOIFCAA-NEPJUHHUSA-N 2 2 298.387 -1.287 20 30 CAEDLP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483118554 892733372 /nfs/dbraw/zinc/73/33/72/892733372.db2.gz XWIPVPSZOIFCAA-NEPJUHHUSA-N 2 2 298.387 -1.287 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001485983956 892972118 /nfs/dbraw/zinc/97/21/18/892972118.db2.gz WTYZQSWRAXROKJ-RYUDHWBXSA-N 2 2 296.371 -2.103 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485983956 892972124 /nfs/dbraw/zinc/97/21/24/892972124.db2.gz WTYZQSWRAXROKJ-RYUDHWBXSA-N 2 2 296.371 -2.103 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001486061083 893011275 /nfs/dbraw/zinc/01/12/75/893011275.db2.gz HBQAKGDSOXSITG-GFCCVEGCSA-N 2 2 296.371 -2.102 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001490860097 893223308 /nfs/dbraw/zinc/22/33/08/893223308.db2.gz DHXLSSAPPUOTRQ-LBPRGKRZSA-N 2 2 289.339 -1.177 20 30 CAEDLP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001502560200 893849954 /nfs/dbraw/zinc/84/99/54/893849954.db2.gz ORAQOHDNJGDVDY-UKRRQHHQSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001502560201 893850834 /nfs/dbraw/zinc/85/08/34/893850834.db2.gz ORAQOHDNJGDVDY-ZFWWWQNUSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001502560198 893852157 /nfs/dbraw/zinc/85/21/57/893852157.db2.gz ORAQOHDNJGDVDY-HIFRSBDPSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001503899121 893868719 /nfs/dbraw/zinc/86/87/19/893868719.db2.gz BEVAAHQZBUUSAB-CYBMUJFWSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CC[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001503899121 893868736 /nfs/dbraw/zinc/86/87/36/893868736.db2.gz BEVAAHQZBUUSAB-CYBMUJFWSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2COC[C@H]2OC)CC1 ZINC000491295775 373017680 /nfs/dbraw/zinc/01/76/80/373017680.db2.gz IODLQAWIEYNDFT-QWHCGFSZSA-N 2 2 281.356 -1.233 20 30 CAEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(=O)NCC#N ZINC000596600010 373134335 /nfs/dbraw/zinc/13/43/35/373134335.db2.gz ZRKAHSNAKGTRMB-UHFFFAOYSA-N 2 2 298.391 -1.191 20 30 CAEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(=O)NCC#N ZINC000596600010 373134342 /nfs/dbraw/zinc/13/43/42/373134342.db2.gz ZRKAHSNAKGTRMB-UHFFFAOYSA-N 2 2 298.391 -1.191 20 30 CAEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566689611 373949957 /nfs/dbraw/zinc/94/99/57/373949957.db2.gz AYUMWFUWEPPKIG-UWVGGRQHSA-N 2 2 295.343 -1.758 20 30 CAEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566689611 373949968 /nfs/dbraw/zinc/94/99/68/373949968.db2.gz AYUMWFUWEPPKIG-UWVGGRQHSA-N 2 2 295.343 -1.758 20 30 CAEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566689612 373950943 /nfs/dbraw/zinc/95/09/43/373950943.db2.gz AYUMWFUWEPPKIG-VHSXEESVSA-N 2 2 295.343 -1.758 20 30 CAEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566689612 373950950 /nfs/dbraw/zinc/95/09/50/373950950.db2.gz AYUMWFUWEPPKIG-VHSXEESVSA-N 2 2 295.343 -1.758 20 30 CAEDLP C=CCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579006235 373997911 /nfs/dbraw/zinc/99/79/11/373997911.db2.gz MVFHXFLZDWUYCM-UWVGGRQHSA-N 2 2 252.318 -1.468 20 30 CAEDLP C=CCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579006235 373997915 /nfs/dbraw/zinc/99/79/15/373997915.db2.gz MVFHXFLZDWUYCM-UWVGGRQHSA-N 2 2 252.318 -1.468 20 30 CAEDLP C=CCNC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579006232 373998145 /nfs/dbraw/zinc/99/81/45/373998145.db2.gz MVFHXFLZDWUYCM-NXEZZACHSA-N 2 2 252.318 -1.468 20 30 CAEDLP C=CCNC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579006232 373998152 /nfs/dbraw/zinc/99/81/52/373998152.db2.gz MVFHXFLZDWUYCM-NXEZZACHSA-N 2 2 252.318 -1.468 20 30 CAEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574705358 335041750 /nfs/dbraw/zinc/04/17/50/335041750.db2.gz YCGKQTHDDSEAHZ-HBNTYKKESA-N 2 2 266.345 -1.079 20 30 CAEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000574705358 335041751 /nfs/dbraw/zinc/04/17/51/335041751.db2.gz YCGKQTHDDSEAHZ-HBNTYKKESA-N 2 2 266.345 -1.079 20 30 CAEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574705356 335041803 /nfs/dbraw/zinc/04/18/03/335041803.db2.gz YCGKQTHDDSEAHZ-DCAQKATOSA-N 2 2 266.345 -1.079 20 30 CAEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000574705356 335041805 /nfs/dbraw/zinc/04/18/05/335041805.db2.gz YCGKQTHDDSEAHZ-DCAQKATOSA-N 2 2 266.345 -1.079 20 30 CAEDLP C#CCNC(=O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000293586043 263143437 /nfs/dbraw/zinc/14/34/37/263143437.db2.gz UDQLTYWQVRVKRY-UHFFFAOYSA-N 2 2 280.372 -1.168 20 30 CAEDLP CC[NH+](CC#CC[N@@H+](CC)CC(N)=O)CC(N)=O ZINC000342125917 263390414 /nfs/dbraw/zinc/39/04/14/263390414.db2.gz KSIZAHZOXSKXRZ-UHFFFAOYSA-N 2 2 254.334 -1.396 20 30 CAEDLP CC[NH+](CC#CC[N@H+](CC)CC(N)=O)CC(N)=O ZINC000342125917 263390415 /nfs/dbraw/zinc/39/04/15/263390415.db2.gz KSIZAHZOXSKXRZ-UHFFFAOYSA-N 2 2 254.334 -1.396 20 30 CAEDLP O[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000342141233 263398528 /nfs/dbraw/zinc/39/85/28/263398528.db2.gz ZVUNBFQAUJIKTK-BKUVIOGVSA-N 2 2 256.302 -2.935 20 30 CAEDLP O[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000342141233 263398530 /nfs/dbraw/zinc/39/85/30/263398530.db2.gz ZVUNBFQAUJIKTK-BKUVIOGVSA-N 2 2 256.302 -2.935 20 30 CAEDLP C[NH+](C)C[C@H](CO)NC[C@H](O)C[N@H+](C)CCC#N ZINC000519155418 265343164 /nfs/dbraw/zinc/34/31/64/265343164.db2.gz DSTZUPMBJAUCLJ-NEPJUHHUSA-N 2 2 258.366 -1.295 20 30 CAEDLP C[NH+](C)C[C@H](CO)NC[C@H](O)C[N@@H+](C)CCC#N ZINC000519155418 265343167 /nfs/dbraw/zinc/34/31/67/265343167.db2.gz DSTZUPMBJAUCLJ-NEPJUHHUSA-N 2 2 258.366 -1.295 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197784595 782059650 /nfs/dbraw/zinc/05/96/50/782059650.db2.gz ZCLNOKFJOWGKKX-VXGBXAGGSA-N 2 2 269.345 -1.641 20 30 CAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197784595 782059659 /nfs/dbraw/zinc/05/96/59/782059659.db2.gz ZCLNOKFJOWGKKX-VXGBXAGGSA-N 2 2 269.345 -1.641 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198690006 782070090 /nfs/dbraw/zinc/07/00/90/782070090.db2.gz RQEBELODDKZGNE-MGPQQGTHSA-N 2 2 295.383 -1.251 20 30 CAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198690006 782070097 /nfs/dbraw/zinc/07/00/97/782070097.db2.gz RQEBELODDKZGNE-MGPQQGTHSA-N 2 2 295.383 -1.251 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO)CC1 ZINC000490741443 332111804 /nfs/dbraw/zinc/11/18/04/332111804.db2.gz VAWDWSWFAIEBDP-KGLIPLIRSA-N 2 2 297.399 -1.173 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)CC1 ZINC000490741443 332111806 /nfs/dbraw/zinc/11/18/06/332111806.db2.gz VAWDWSWFAIEBDP-KGLIPLIRSA-N 2 2 297.399 -1.173 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000491039359 332141687 /nfs/dbraw/zinc/14/16/87/332141687.db2.gz ODMAEKUDNDZLDJ-QWHCGFSZSA-N 2 2 281.356 -1.809 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000491039359 332141689 /nfs/dbraw/zinc/14/16/89/332141689.db2.gz ODMAEKUDNDZLDJ-QWHCGFSZSA-N 2 2 281.356 -1.809 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)C[C@H](C)O)CC1 ZINC000491278498 332180110 /nfs/dbraw/zinc/18/01/10/332180110.db2.gz UAKHOIDPGXYOFQ-ZDUSSCGKSA-N 2 2 283.372 -1.561 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)C[C@H](C)O)CC1 ZINC000491278498 332180111 /nfs/dbraw/zinc/18/01/11/332180111.db2.gz UAKHOIDPGXYOFQ-ZDUSSCGKSA-N 2 2 283.372 -1.561 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000491351070 332195147 /nfs/dbraw/zinc/19/51/47/332195147.db2.gz RGRIKYBAWJCXRL-KGLIPLIRSA-N 2 2 295.383 -1.561 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000491351070 332195148 /nfs/dbraw/zinc/19/51/48/332195148.db2.gz RGRIKYBAWJCXRL-KGLIPLIRSA-N 2 2 295.383 -1.561 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@H](O)CO)C(C)C)CC1 ZINC000491503948 332224397 /nfs/dbraw/zinc/22/43/97/332224397.db2.gz FPIYYJUCVISWNM-AWEZNQCLSA-N 2 2 297.399 -1.173 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@H](O)CO)C(C)C)CC1 ZINC000491503948 332224399 /nfs/dbraw/zinc/22/43/99/332224399.db2.gz FPIYYJUCVISWNM-AWEZNQCLSA-N 2 2 297.399 -1.173 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)CC1 ZINC000491705171 332298580 /nfs/dbraw/zinc/29/85/80/332298580.db2.gz IQADDCANIIJTJS-JSGCOSHPSA-N 2 2 292.383 -1.122 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCNC(C)=O)CC1 ZINC000491712040 332303437 /nfs/dbraw/zinc/30/34/37/332303437.db2.gz YMMLTADENJOLFI-UHFFFAOYSA-N 2 2 280.372 -1.168 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCNC(C)=O)CC1 ZINC000491712040 332303438 /nfs/dbraw/zinc/30/34/38/332303438.db2.gz YMMLTADENJOLFI-UHFFFAOYSA-N 2 2 280.372 -1.168 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000491748550 332325898 /nfs/dbraw/zinc/32/58/98/332325898.db2.gz OVAIAIXIBXWMPU-HNNXBMFYSA-N 2 2 292.383 -1.039 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)CC1 ZINC000491748550 332325899 /nfs/dbraw/zinc/32/58/99/332325899.db2.gz OVAIAIXIBXWMPU-HNNXBMFYSA-N 2 2 292.383 -1.039 20 30 CAEDLP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001274967917 782164060 /nfs/dbraw/zinc/16/40/60/782164060.db2.gz PSWZXOSMLWEPQF-SNVBAGLBSA-N 2 2 277.328 -1.204 20 30 CAEDLP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275105697 782165251 /nfs/dbraw/zinc/16/52/51/782165251.db2.gz XHDOSHTYRJJDCS-RYUDHWBXSA-N 2 2 296.371 -1.839 20 30 CAEDLP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275105697 782165255 /nfs/dbraw/zinc/16/52/55/782165255.db2.gz XHDOSHTYRJJDCS-RYUDHWBXSA-N 2 2 296.371 -1.839 20 30 CAEDLP O=C1CC[NH+](CC#CC[N@@H+]2CCNC(=O)CC2)CCN1 ZINC000284015416 545534642 /nfs/dbraw/zinc/53/46/42/545534642.db2.gz HMOUBNLSHOOMOC-UHFFFAOYSA-N 2 2 278.356 -1.366 20 30 CAEDLP O=C1CC[NH+](CC#CC[N@H+]2CCNC(=O)CC2)CCN1 ZINC000284015416 545534645 /nfs/dbraw/zinc/53/46/45/545534645.db2.gz HMOUBNLSHOOMOC-UHFFFAOYSA-N 2 2 278.356 -1.366 20 30 CAEDLP C[NH+](CC#CC[N@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000671242328 545553896 /nfs/dbraw/zinc/55/38/96/545553896.db2.gz DANXKHBIIYWIKJ-TXEJJXNPSA-N 2 2 278.356 -1.370 20 30 CAEDLP C[NH+](CC#CC[N@@H+](C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000671242328 545553900 /nfs/dbraw/zinc/55/39/00/545553900.db2.gz DANXKHBIIYWIKJ-TXEJJXNPSA-N 2 2 278.356 -1.370 20 30 CAEDLP C#CCOCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000841875171 582114777 /nfs/dbraw/zinc/11/47/77/582114777.db2.gz MDVLWDFRFIWAPD-NSHDSACASA-N 2 2 254.334 -1.080 20 30 CAEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000834485380 582124157 /nfs/dbraw/zinc/12/41/57/582124157.db2.gz VVDSWXNWAUMLNW-BDAKNGLRSA-N 2 2 251.290 -2.354 20 30 CAEDLP C#CCN1CCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000748812324 582142709 /nfs/dbraw/zinc/14/27/09/582142709.db2.gz CISPACQFEFQUDZ-KBPBESRZSA-N 2 2 276.384 -1.085 20 30 CAEDLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834498866 582210569 /nfs/dbraw/zinc/21/05/69/582210569.db2.gz CLZYPLHJNNMGFZ-GHMZBOCLSA-N 2 2 281.360 -1.329 20 30 CAEDLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834498866 582210571 /nfs/dbraw/zinc/21/05/71/582210571.db2.gz CLZYPLHJNNMGFZ-GHMZBOCLSA-N 2 2 281.360 -1.329 20 30 CAEDLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834498869 582210627 /nfs/dbraw/zinc/21/06/27/582210627.db2.gz CLZYPLHJNNMGFZ-WDEREUQCSA-N 2 2 281.360 -1.329 20 30 CAEDLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834498869 582210628 /nfs/dbraw/zinc/21/06/28/582210628.db2.gz CLZYPLHJNNMGFZ-WDEREUQCSA-N 2 2 281.360 -1.329 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860159625 582242437 /nfs/dbraw/zinc/24/24/37/582242437.db2.gz FAIGMOLJSGBANG-CHWSQXEVSA-N 2 2 291.351 -1.131 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)CC1 ZINC000860159625 582242438 /nfs/dbraw/zinc/24/24/38/582242438.db2.gz FAIGMOLJSGBANG-CHWSQXEVSA-N 2 2 291.351 -1.131 20 30 CAEDLP C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)N1CC[NH2+]CC1=O ZINC000876802531 582263286 /nfs/dbraw/zinc/26/32/86/582263286.db2.gz QAEPROOWKGBRFB-BBBLOLIVSA-N 2 2 265.317 -1.966 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000878982900 582266995 /nfs/dbraw/zinc/26/69/95/582266995.db2.gz GUEDQLTZUROORQ-UKRRQHHQSA-N 2 2 295.383 -1.419 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000878982900 582266996 /nfs/dbraw/zinc/26/69/96/582266996.db2.gz GUEDQLTZUROORQ-UKRRQHHQSA-N 2 2 295.383 -1.419 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@](C)(CO)COC)CC1 ZINC000879163349 582267161 /nfs/dbraw/zinc/26/71/61/582267161.db2.gz GKRIHSAJPAYLSI-AWEZNQCLSA-N 2 2 283.372 -1.249 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000880417571 582269442 /nfs/dbraw/zinc/26/94/42/582269442.db2.gz PRUPCQWUMYLSCQ-JSGCOSHPSA-N 2 2 263.341 -1.170 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)CC1 ZINC000880417571 582269443 /nfs/dbraw/zinc/26/94/43/582269443.db2.gz PRUPCQWUMYLSCQ-JSGCOSHPSA-N 2 2 263.341 -1.170 20 30 CAEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCCN1CC[NH2+]CC1 ZINC000884005602 582272796 /nfs/dbraw/zinc/27/27/96/582272796.db2.gz NRBXPQXTTIWEHP-LBPRGKRZSA-N 2 2 298.387 -1.156 20 30 CAEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000958470428 613316704 /nfs/dbraw/zinc/31/67/04/613316704.db2.gz UTMPFPOHSZHRBO-XQHKEYJVSA-N 2 2 263.341 -1.003 20 30 CAEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000958470428 613316706 /nfs/dbraw/zinc/31/67/06/613316706.db2.gz UTMPFPOHSZHRBO-XQHKEYJVSA-N 2 2 263.341 -1.003 20 30 CAEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958470428 613316707 /nfs/dbraw/zinc/31/67/07/613316707.db2.gz UTMPFPOHSZHRBO-XQHKEYJVSA-N 2 2 263.341 -1.003 20 30 CAEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000958470428 613316709 /nfs/dbraw/zinc/31/67/09/613316709.db2.gz UTMPFPOHSZHRBO-XQHKEYJVSA-N 2 2 263.341 -1.003 20 30 CAEDLP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036996 782849057 /nfs/dbraw/zinc/84/90/57/782849057.db2.gz QZZXZHFVXRTWKX-KBPBESRZSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036996 782849059 /nfs/dbraw/zinc/84/90/59/782849059.db2.gz QZZXZHFVXRTWKX-KBPBESRZSA-N 2 2 295.383 -1.107 20 30 CAEDLP N#CCNC(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355347 775147123 /nfs/dbraw/zinc/14/71/23/775147123.db2.gz CLVZPFKQIFYJLD-UHFFFAOYSA-N 2 2 278.316 -1.312 20 30 CAEDLP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001267230639 775217572 /nfs/dbraw/zinc/21/75/72/775217572.db2.gz WWNMYBFSLIXIMW-NSHDSACASA-N 2 2 281.360 -1.374 20 30 CAEDLP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001267230639 775217583 /nfs/dbraw/zinc/21/75/83/775217583.db2.gz WWNMYBFSLIXIMW-NSHDSACASA-N 2 2 281.360 -1.374 20 30 CAEDLP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NCC#N ZINC001267230639 775217589 /nfs/dbraw/zinc/21/75/89/775217589.db2.gz WWNMYBFSLIXIMW-NSHDSACASA-N 2 2 281.360 -1.374 20 30 CAEDLP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NCC#N ZINC001267230639 775217598 /nfs/dbraw/zinc/21/75/98/775217598.db2.gz WWNMYBFSLIXIMW-NSHDSACASA-N 2 2 281.360 -1.374 20 30 CAEDLP C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267678492 775284054 /nfs/dbraw/zinc/28/40/54/775284054.db2.gz FANKXJFZLKGDDF-ZDUSSCGKSA-N 2 2 292.383 -1.122 20 30 CAEDLP C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267678492 775284058 /nfs/dbraw/zinc/28/40/58/775284058.db2.gz FANKXJFZLKGDDF-ZDUSSCGKSA-N 2 2 292.383 -1.122 20 30 CAEDLP C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267698491 775288101 /nfs/dbraw/zinc/28/81/01/775288101.db2.gz AWQOEWJVOITZKN-CYBMUJFWSA-N 2 2 292.383 -1.265 20 30 CAEDLP C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267698491 775288109 /nfs/dbraw/zinc/28/81/09/775288109.db2.gz AWQOEWJVOITZKN-CYBMUJFWSA-N 2 2 292.383 -1.265 20 30 CAEDLP C#CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268326568 775403127 /nfs/dbraw/zinc/40/31/27/775403127.db2.gz XWGDPYXIIPTFAH-LLVKDONJSA-N 2 2 293.327 -2.232 20 30 CAEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](O)C1 ZINC001083385010 775456251 /nfs/dbraw/zinc/45/62/51/775456251.db2.gz BHLJMZPOROXUFH-FRRDWIJNSA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](O)C1 ZINC001083385010 775456256 /nfs/dbraw/zinc/45/62/56/775456256.db2.gz BHLJMZPOROXUFH-FRRDWIJNSA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385010 775456264 /nfs/dbraw/zinc/45/62/64/775456264.db2.gz BHLJMZPOROXUFH-FRRDWIJNSA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](O)C1 ZINC001083385010 775456270 /nfs/dbraw/zinc/45/62/70/775456270.db2.gz BHLJMZPOROXUFH-FRRDWIJNSA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001269092225 775489829 /nfs/dbraw/zinc/48/98/29/775489829.db2.gz TWLHHRIBDKEKNT-STQMWFEESA-N 2 2 292.383 -1.122 20 30 CAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001269092225 775489832 /nfs/dbraw/zinc/48/98/32/775489832.db2.gz TWLHHRIBDKEKNT-STQMWFEESA-N 2 2 292.383 -1.122 20 30 CAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001269092225 775489836 /nfs/dbraw/zinc/48/98/36/775489836.db2.gz TWLHHRIBDKEKNT-STQMWFEESA-N 2 2 292.383 -1.122 20 30 CAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001269092225 775489838 /nfs/dbraw/zinc/48/98/38/775489838.db2.gz TWLHHRIBDKEKNT-STQMWFEESA-N 2 2 292.383 -1.122 20 30 CAEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001269166454 775493997 /nfs/dbraw/zinc/49/39/97/775493997.db2.gz ZSYUKYJSYQSDAJ-GFCCVEGCSA-N 2 2 280.372 -1.122 20 30 CAEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001269166454 775494000 /nfs/dbraw/zinc/49/40/00/775494000.db2.gz ZSYUKYJSYQSDAJ-GFCCVEGCSA-N 2 2 280.372 -1.122 20 30 CAEDLP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001271133309 775573989 /nfs/dbraw/zinc/57/39/89/775573989.db2.gz YGDKVBZLLOQDJR-ZFWWWQNUSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001271133309 775573995 /nfs/dbraw/zinc/57/39/95/775573995.db2.gz YGDKVBZLLOQDJR-ZFWWWQNUSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001271133309 775574003 /nfs/dbraw/zinc/57/40/03/775574003.db2.gz YGDKVBZLLOQDJR-ZFWWWQNUSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001271133309 775574014 /nfs/dbraw/zinc/57/40/14/775574014.db2.gz YGDKVBZLLOQDJR-ZFWWWQNUSA-N 2 2 295.383 -1.107 20 30 CAEDLP CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001272172145 775681788 /nfs/dbraw/zinc/68/17/88/775681788.db2.gz KMJLNVZZUCEMCI-GFCCVEGCSA-N 2 2 295.387 -1.032 20 30 CAEDLP CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001272172145 775681785 /nfs/dbraw/zinc/68/17/85/775681785.db2.gz KMJLNVZZUCEMCI-GFCCVEGCSA-N 2 2 295.387 -1.032 20 30 CAEDLP CN(CC[NH+](C)CC(=O)NCC#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001272172145 775681792 /nfs/dbraw/zinc/68/17/92/775681792.db2.gz KMJLNVZZUCEMCI-GFCCVEGCSA-N 2 2 295.387 -1.032 20 30 CAEDLP CN(CC[NH+](C)CC(=O)NCC#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001272172145 775681797 /nfs/dbraw/zinc/68/17/97/775681797.db2.gz KMJLNVZZUCEMCI-GFCCVEGCSA-N 2 2 295.387 -1.032 20 30 CAEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076811325 775760315 /nfs/dbraw/zinc/76/03/15/775760315.db2.gz KDTBWYMBBCIJMR-IJLUTSLNSA-N 2 2 251.330 -1.125 20 30 CAEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001076811325 775760326 /nfs/dbraw/zinc/76/03/26/775760326.db2.gz KDTBWYMBBCIJMR-IJLUTSLNSA-N 2 2 251.330 -1.125 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076811325 775760331 /nfs/dbraw/zinc/76/03/31/775760331.db2.gz KDTBWYMBBCIJMR-IJLUTSLNSA-N 2 2 251.330 -1.125 20 30 CAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001076811325 775760339 /nfs/dbraw/zinc/76/03/39/775760339.db2.gz KDTBWYMBBCIJMR-IJLUTSLNSA-N 2 2 251.330 -1.125 20 30 CAEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001076838521 775763128 /nfs/dbraw/zinc/76/31/28/775763128.db2.gz BHLJMZPOROXUFH-UPJWGTAASA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001076838521 775763139 /nfs/dbraw/zinc/76/31/39/775763139.db2.gz BHLJMZPOROXUFH-UPJWGTAASA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838521 775763147 /nfs/dbraw/zinc/76/31/47/775763147.db2.gz BHLJMZPOROXUFH-UPJWGTAASA-N 2 2 281.356 -1.498 20 30 CAEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001076838521 775763161 /nfs/dbraw/zinc/76/31/61/775763161.db2.gz BHLJMZPOROXUFH-UPJWGTAASA-N 2 2 281.356 -1.498 20 30 CAEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077221373 775804674 /nfs/dbraw/zinc/80/46/74/775804674.db2.gz OQFZPEXJSLWUJC-AAVRWANBSA-N 2 2 295.383 -1.110 20 30 CAEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077221373 775804685 /nfs/dbraw/zinc/80/46/85/775804685.db2.gz OQFZPEXJSLWUJC-AAVRWANBSA-N 2 2 295.383 -1.110 20 30 CAEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077221373 775804695 /nfs/dbraw/zinc/80/46/95/775804695.db2.gz OQFZPEXJSLWUJC-AAVRWANBSA-N 2 2 295.383 -1.110 20 30 CAEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077221373 775804703 /nfs/dbraw/zinc/80/47/03/775804703.db2.gz OQFZPEXJSLWUJC-AAVRWANBSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645649 775842508 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HYTGATAIRMVTJN-MCIONIFRSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967381 776229505 /nfs/dbraw/zinc/22/95/05/776229505.db2.gz OLKSSOQPFXHRKW-UHFFFAOYSA-N 2 2 277.328 -1.203 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1OC ZINC001081811268 776396394 /nfs/dbraw/zinc/39/63/94/776396394.db2.gz PLOOQPDGIKTXFX-HZSPNIEDSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1OC ZINC001081811268 776396402 /nfs/dbraw/zinc/39/64/02/776396402.db2.gz PLOOQPDGIKTXFX-HZSPNIEDSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001081811268 776396415 /nfs/dbraw/zinc/39/64/15/776396415.db2.gz PLOOQPDGIKTXFX-HZSPNIEDSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCO)C[C@H]1OC ZINC001081811268 776396425 /nfs/dbraw/zinc/39/64/25/776396425.db2.gz PLOOQPDGIKTXFX-HZSPNIEDSA-N 2 2 295.383 -1.108 20 30 CAEDLP N#CCNC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204142 776522189 /nfs/dbraw/zinc/52/21/89/776522189.db2.gz ISGRKRAMEQFWDK-UHFFFAOYSA-N 2 2 278.316 -1.312 20 30 CAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131639806 776697289 /nfs/dbraw/zinc/69/72/89/776697289.db2.gz OQJXLEFDRMZKFN-UHFFFAOYSA-N 2 2 291.355 -1.192 20 30 CAEDLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001131639856 776697490 /nfs/dbraw/zinc/69/74/90/776697490.db2.gz QPFCSTVJGFEEBQ-UHFFFAOYSA-N 2 2 292.343 -1.302 20 30 CAEDLP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001284476077 777944750 /nfs/dbraw/zinc/94/47/50/777944750.db2.gz FKGIGNSLSZNGEO-CYBMUJFWSA-N 2 2 294.355 -1.058 20 30 CAEDLP C#CC[NH2+]CC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001122290727 779663248 /nfs/dbraw/zinc/66/32/48/779663248.db2.gz KVPSEMAPXXQMOL-UHFFFAOYSA-N 2 2 252.362 -1.085 20 30 CAEDLP C#CC[NH2+]CC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001122290727 779663253 /nfs/dbraw/zinc/66/32/53/779663253.db2.gz KVPSEMAPXXQMOL-UHFFFAOYSA-N 2 2 252.362 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30 CAEDLP C#C[C@](C)([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219806474 780262587 /nfs/dbraw/zinc/26/25/87/780262587.db2.gz YBYCCDMDSXJNBC-AWEZNQCLSA-N 2 2 289.339 -1.297 20 30 CAEDLP COC(=O)[C@H](CS)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220035838 780295669 /nfs/dbraw/zinc/29/56/69/780295669.db2.gz HADLDLMYSHKQKQ-LEQIOUOKSA-N 2 2 273.358 -1.204 20 30 CAEDLP COC(=O)[C@H](CS)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220036774 780295867 /nfs/dbraw/zinc/29/58/67/780295867.db2.gz VLJPUOCULNRSJU-LAEOZQHASA-N 2 2 273.358 -1.475 20 30 CAEDLP COC(=O)[C@H](CS)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220036851 780296609 /nfs/dbraw/zinc/29/66/09/780296609.db2.gz XZLLQTZQMYXUAW-MAUMQABQSA-N 2 2 273.358 -1.476 20 30 CAEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275465 780329440 /nfs/dbraw/zinc/32/94/40/780329440.db2.gz YPDFZAWTYCVSRR-OLZOCXBDSA-N 2 2 283.372 -1.251 20 30 CAEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220275465 780329443 /nfs/dbraw/zinc/32/94/43/780329443.db2.gz YPDFZAWTYCVSRR-OLZOCXBDSA-N 2 2 283.372 -1.251 20 30 CAEDLP COC(=O)n1ncc(C#N)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220415215 780346725 /nfs/dbraw/zinc/34/67/25/780346725.db2.gz BGWDPGPSGRKQAQ-YUMQZZPRSA-N 2 2 278.272 -1.146 20 30 CAEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H](C#N)C(N)=O ZINC001220527256 780361456 /nfs/dbraw/zinc/36/14/56/780361456.db2.gz HBJFKYSMBSZUJX-YUMQZZPRSA-N 2 2 250.262 -2.216 20 30 CAEDLP C#CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642881 780371216 /nfs/dbraw/zinc/37/12/16/780371216.db2.gz MZEPIVNVUABPIR-KGLIPLIRSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220642881 780371221 /nfs/dbraw/zinc/37/12/21/780371221.db2.gz MZEPIVNVUABPIR-KGLIPLIRSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986089 780400895 /nfs/dbraw/zinc/40/08/95/780400895.db2.gz RQEBELODDKZGNE-MJBXVCDLSA-N 2 2 295.383 -1.251 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986089 780400899 /nfs/dbraw/zinc/40/08/99/780400899.db2.gz RQEBELODDKZGNE-MJBXVCDLSA-N 2 2 295.383 -1.251 20 30 CAEDLP COCC#CC[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001278164785 780511420 /nfs/dbraw/zinc/51/14/20/780511420.db2.gz NDJSNEGABRQIFQ-LBPRGKRZSA-N 2 2 280.328 -1.331 20 30 CAEDLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ncc[nH]1 ZINC001251037036 780571744 /nfs/dbraw/zinc/57/17/44/780571744.db2.gz PLXCSRCRLRVZOV-SECBINFHSA-N 2 2 253.306 -1.192 20 30 CAEDLP [NH2+]=C(NC[C@H](O)C[NH+]1CCOCC1)c1ncc[nH]1 ZINC001251037041 780572042 /nfs/dbraw/zinc/57/20/42/780572042.db2.gz PLXCSRCRLRVZOV-VIFPVBQESA-N 2 2 253.306 -1.192 20 30 CAEDLP N#CCNC(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001254345974 780603380 /nfs/dbraw/zinc/60/33/80/780603380.db2.gz DXOKNGUCOPQCAN-UHFFFAOYSA-N 2 2 296.371 -1.215 20 30 CAEDLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NCC#N ZINC001265852312 780761515 /nfs/dbraw/zinc/76/15/15/780761515.db2.gz ZQQVAFJDCXCBIV-SNVBAGLBSA-N 2 2 292.343 -1.303 20 30 CAEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760151 781383303 /nfs/dbraw/zinc/38/33/03/781383303.db2.gz JITYNUCPHFBTSR-SNVBAGLBSA-N 2 2 277.328 -1.204 20 30 CAEDLP C=CCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147900772 781525290 /nfs/dbraw/zinc/52/52/90/781525290.db2.gz VQEUEBAKCLUWPM-UHFFFAOYSA-N 2 2 279.344 -1.029 20 30 CAEDLP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147908509 781525713 /nfs/dbraw/zinc/52/57/13/781525713.db2.gz XMFZDCVIRBEJRY-NSHDSACASA-N 2 2 291.355 -1.194 20 30 CAEDLP N#CCNC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400632 781619126 /nfs/dbraw/zinc/61/91/26/781619126.db2.gz JMXCHYGTIOXUGH-UHFFFAOYSA-N 2 2 278.316 -1.381 20 30 CAEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317469320 884202836 /nfs/dbraw/zinc/20/28/36/884202836.db2.gz DVCSHGZEFWHRSU-GFCCVEGCSA-N 2 2 280.372 -1.265 20 30 CAEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001317469320 884202858 /nfs/dbraw/zinc/20/28/58/884202858.db2.gz DVCSHGZEFWHRSU-GFCCVEGCSA-N 2 2 280.372 -1.265 20 30 CAEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317469320 884202879 /nfs/dbraw/zinc/20/28/79/884202879.db2.gz DVCSHGZEFWHRSU-GFCCVEGCSA-N 2 2 280.372 -1.265 20 30 CAEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001317469320 884202899 /nfs/dbraw/zinc/20/28/99/884202899.db2.gz DVCSHGZEFWHRSU-GFCCVEGCSA-N 2 2 280.372 -1.265 20 30 CAEDLP CC#CC[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001320318761 884413490 /nfs/dbraw/zinc/41/34/90/884413490.db2.gz XZOJXAMMKZMASS-NSHDSACASA-N 2 2 250.302 -1.027 20 30 CAEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047334006 884018874 /nfs/dbraw/zinc/01/88/74/884018874.db2.gz VOOHTRJGTXRIMC-MELADBBJSA-N 2 2 295.383 -1.156 20 30 CAEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047334006 884018901 /nfs/dbraw/zinc/01/89/01/884018901.db2.gz VOOHTRJGTXRIMC-MELADBBJSA-N 2 2 295.383 -1.156 20 30 CAEDLP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001047334006 884018917 /nfs/dbraw/zinc/01/89/17/884018917.db2.gz VOOHTRJGTXRIMC-MELADBBJSA-N 2 2 295.383 -1.156 20 30 CAEDLP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001047334006 884018931 /nfs/dbraw/zinc/01/89/31/884018931.db2.gz VOOHTRJGTXRIMC-MELADBBJSA-N 2 2 295.383 -1.156 20 30 CAEDLP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001321431577 884494390 /nfs/dbraw/zinc/49/43/90/884494390.db2.gz GXGDXFKRGIQQOQ-ARJAWSKDSA-N 2 2 289.339 -1.106 20 30 CAEDLP COCC#CC[NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1 ZINC001326160676 884773915 /nfs/dbraw/zinc/77/39/15/884773915.db2.gz ZJLXQPSUPCJAFW-UHFFFAOYSA-N 2 2 294.355 -1.057 20 30 CAEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC001327002744 884853779 /nfs/dbraw/zinc/85/37/79/884853779.db2.gz MENHQVMPOYOUIG-NEPJUHHUSA-N 2 2 258.366 -1.295 20 30 CAEDLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001331682367 885309212 /nfs/dbraw/zinc/30/92/12/885309212.db2.gz HMEQPPZKEKIAJD-QWRGUYRKSA-N 2 2 297.359 -2.213 20 30 CAEDLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001331682367 885309225 /nfs/dbraw/zinc/30/92/25/885309225.db2.gz HMEQPPZKEKIAJD-QWRGUYRKSA-N 2 2 297.359 -2.213 20 30 CAEDLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001331682366 885312119 /nfs/dbraw/zinc/31/21/19/885312119.db2.gz HMEQPPZKEKIAJD-MNOVXSKESA-N 2 2 297.359 -2.213 20 30 CAEDLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001331682366 885312140 /nfs/dbraw/zinc/31/21/40/885312140.db2.gz HMEQPPZKEKIAJD-MNOVXSKESA-N 2 2 297.359 -2.213 20 30 CAEDLP COCC#CC[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001331817906 885350691 /nfs/dbraw/zinc/35/06/91/885350691.db2.gz BQNZEIZWZULCNV-GFCCVEGCSA-N 2 2 294.355 -1.023 20 30 CAEDLP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001332616945 885426395 /nfs/dbraw/zinc/42/63/95/885426395.db2.gz AZWCIQFHVDBPIM-CHWSQXEVSA-N 2 2 283.372 -1.299 20 30 CAEDLP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001332616945 885426401 /nfs/dbraw/zinc/42/64/01/885426401.db2.gz AZWCIQFHVDBPIM-CHWSQXEVSA-N 2 2 283.372 -1.299 20 30 CAEDLP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001332616945 885426411 /nfs/dbraw/zinc/42/64/11/885426411.db2.gz AZWCIQFHVDBPIM-CHWSQXEVSA-N 2 2 283.372 -1.299 20 30 CAEDLP C#CC[NH2+]CC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001340267629 885800046 /nfs/dbraw/zinc/80/00/46/885800046.db2.gz UTEGXYYCFGVVDI-LBPRGKRZSA-N 2 2 278.356 -1.368 20 30 CAEDLP C#CC[NH2+]CC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001341440947 885842645 /nfs/dbraw/zinc/84/26/45/885842645.db2.gz BETGWDAVQTVFEO-GFCCVEGCSA-N 2 2 269.345 -1.639 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001480225285 892507110 /nfs/dbraw/zinc/50/71/10/892507110.db2.gz UOGCDBNTOYNTNW-PHIMTYICSA-N 2 2 289.339 -1.062 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001480542049 892530912 /nfs/dbraw/zinc/53/09/12/892530912.db2.gz JDYFEAJARFAFQM-JTQLQIEISA-N 2 2 277.328 -1.204 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001480561571 892533955 /nfs/dbraw/zinc/53/39/55/892533955.db2.gz LCOFIFMNFCHABO-SNVBAGLBSA-N 2 2 277.328 -1.204 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001480604923 892538482 /nfs/dbraw/zinc/53/84/82/892538482.db2.gz SPNKRYPFBMHDII-NSHDSACASA-N 2 2 277.328 -1.273 20 30 CAEDLP COCC#CC[NH2+]C[C@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001482754041 892689873 /nfs/dbraw/zinc/68/98/73/892689873.db2.gz QGBRCHRGSMFFHI-ZDUSSCGKSA-N 2 2 294.355 -1.010 20 30 CAEDLP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483118555 892731760 /nfs/dbraw/zinc/73/17/60/892731760.db2.gz XWIPVPSZOIFCAA-VXGBXAGGSA-N 2 2 298.387 -1.287 20 30 CAEDLP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483118555 892731763 /nfs/dbraw/zinc/73/17/63/892731763.db2.gz XWIPVPSZOIFCAA-VXGBXAGGSA-N 2 2 298.387 -1.287 20 30 CAEDLP N#CCNC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001483797686 892790692 /nfs/dbraw/zinc/79/06/92/892790692.db2.gz VSABPWWXRIUHMQ-UHFFFAOYSA-N 2 2 290.327 -1.239 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001484223437 892818340 /nfs/dbraw/zinc/81/83/40/892818340.db2.gz NAJSVRKSSINDCO-DZGCQCFKSA-N 2 2 295.383 -1.371 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001484223437 892818358 /nfs/dbraw/zinc/81/83/58/892818358.db2.gz NAJSVRKSSINDCO-DZGCQCFKSA-N 2 2 295.383 -1.371 20 30 CAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001484223437 892818377 /nfs/dbraw/zinc/81/83/77/892818377.db2.gz NAJSVRKSSINDCO-DZGCQCFKSA-N 2 2 295.383 -1.371 20 30 CAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCO)C1 ZINC001484223437 892818393 /nfs/dbraw/zinc/81/83/93/892818393.db2.gz NAJSVRKSSINDCO-DZGCQCFKSA-N 2 2 295.383 -1.371 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001485983955 892974458 /nfs/dbraw/zinc/97/44/58/892974458.db2.gz WTYZQSWRAXROKJ-NEPJUHHUSA-N 2 2 296.371 -2.103 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485983955 892974462 /nfs/dbraw/zinc/97/44/62/892974462.db2.gz WTYZQSWRAXROKJ-NEPJUHHUSA-N 2 2 296.371 -2.103 20 30 CAEDLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC(=O)NCC#N ZINC001495749119 893489683 /nfs/dbraw/zinc/48/96/83/893489683.db2.gz UNRLRHPFKHAWGJ-SNVBAGLBSA-N 2 2 292.343 -1.066 20 30 CAEDLP C#CC[NH2+]C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001497029126 893586581 /nfs/dbraw/zinc/58/65/81/893586581.db2.gz LHOYXYUWPFHNQI-LLVKDONJSA-N 2 2 250.302 -1.027 20 30 CAEDLP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001502560196 893852263 /nfs/dbraw/zinc/85/22/63/893852263.db2.gz ORAQOHDNJGDVDY-DZGCQCFKSA-N 2 2 295.383 -1.107 20 30 CAEDLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC(=O)NCC#N ZINC001507164164 893962700 /nfs/dbraw/zinc/96/27/00/893962700.db2.gz PTYCWFFBHOMGQM-NSHDSACASA-N 2 2 292.343 -1.041 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000081643809 372949029 /nfs/dbraw/zinc/94/90/29/372949029.db2.gz XLXOXWYDHKIHTK-UHFFFAOYSA-N 2 2 292.383 -1.039 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000491351072 373017581 /nfs/dbraw/zinc/01/75/81/373017581.db2.gz RGRIKYBAWJCXRL-ZIAGYGMSSA-N 2 2 295.383 -1.561 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000491351072 373017585 /nfs/dbraw/zinc/01/75/85/373017585.db2.gz RGRIKYBAWJCXRL-ZIAGYGMSSA-N 2 2 295.383 -1.561 20 30 CAEDLP C[N@@H+]1CCN(C(=O)Cn2cnc(C#N)n2)[C@@H](C[NH3+])C1 ZINC000563969038 373021926 /nfs/dbraw/zinc/02/19/26/373021926.db2.gz ZCKDLRSEUTZREJ-VIFPVBQESA-N 2 2 263.305 -1.749 20 30 CAEDLP C[N@H+]1CCN(C(=O)Cn2cnc(C#N)n2)[C@@H](C[NH3+])C1 ZINC000563969038 373021931 /nfs/dbraw/zinc/02/19/31/373021931.db2.gz ZCKDLRSEUTZREJ-VIFPVBQESA-N 2 2 263.305 -1.749 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC000304707977 373828564 /nfs/dbraw/zinc/82/85/64/373828564.db2.gz LEKVYYCNUJCRBA-LBPRGKRZSA-N 2 2 251.330 -1.170 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000304707977 373828570 /nfs/dbraw/zinc/82/85/70/373828570.db2.gz LEKVYYCNUJCRBA-LBPRGKRZSA-N 2 2 251.330 -1.170 20 30 CAEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566689609 373949893 /nfs/dbraw/zinc/94/98/93/373949893.db2.gz AYUMWFUWEPPKIG-NXEZZACHSA-N 2 2 295.343 -1.758 20 30 CAEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566689609 373949899 /nfs/dbraw/zinc/94/98/99/373949899.db2.gz AYUMWFUWEPPKIG-NXEZZACHSA-N 2 2 295.343 -1.758 20 30 CAEDLP C[NH+](CC#CC[N@@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000567366461 373955452 /nfs/dbraw/zinc/95/54/52/373955452.db2.gz WOZRMXZQAGZPPT-AAVRWANBSA-N 2 2 284.356 -1.627 20 30 CAEDLP C[NH+](CC#CC[N@H+](C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000567366461 373955457 /nfs/dbraw/zinc/95/54/57/373955457.db2.gz WOZRMXZQAGZPPT-AAVRWANBSA-N 2 2 284.356 -1.627 20 30 CAEDLP C=CCNC(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579006238 373997702 /nfs/dbraw/zinc/99/77/02/373997702.db2.gz MVFHXFLZDWUYCM-ZJUUUORDSA-N 2 2 252.318 -1.468 20 30 CAEDLP C=CCNC(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579006238 373997707 /nfs/dbraw/zinc/99/77/07/373997707.db2.gz MVFHXFLZDWUYCM-ZJUUUORDSA-N 2 2 252.318 -1.468 20 30 CAEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031330 409404391 /nfs/dbraw/zinc/40/43/91/409404391.db2.gz QFQMLGMHJFOAPU-UHFFFAOYSA-N 2 2 297.359 -1.638 20 30 CAEDLP C=CCNC(=O)NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031330 409404396 /nfs/dbraw/zinc/40/43/96/409404396.db2.gz QFQMLGMHJFOAPU-UHFFFAOYSA-N 2 2 297.359 -1.638 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)CCCO)CC1 ZINC000490740177 261197622 /nfs/dbraw/zinc/19/76/22/261197622.db2.gz IWPAWAISBMRVOF-UHFFFAOYSA-N 2 2 283.372 -1.560 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)CCCO)CC1 ZINC000490740177 261197624 /nfs/dbraw/zinc/19/76/24/261197624.db2.gz IWPAWAISBMRVOF-UHFFFAOYSA-N 2 2 283.372 -1.560 20 30 CAEDLP CNC(=O)C[NH+](C)CC#CC[N@@H+](C)CC(=O)NC ZINC000341831945 263353417 /nfs/dbraw/zinc/35/34/17/263353417.db2.gz LPTPUPWFBCGLPB-UHFFFAOYSA-N 2 2 254.334 -1.655 20 30 CAEDLP CNC(=O)C[NH+](C)CC#CC[N@H+](C)CC(=O)NC ZINC000341831945 263353418 /nfs/dbraw/zinc/35/34/18/263353418.db2.gz LPTPUPWFBCGLPB-UHFFFAOYSA-N 2 2 254.334 -1.655 20 30 CAEDLP C[NH+](C)C[C@@H](CO)NC[C@H](O)C[N@H+](C)CCC#N ZINC000519155423 265342658 /nfs/dbraw/zinc/34/26/58/265342658.db2.gz DSTZUPMBJAUCLJ-RYUDHWBXSA-N 2 2 258.366 -1.295 20 30 CAEDLP C[NH+](C)C[C@@H](CO)NC[C@H](O)C[N@@H+](C)CCC#N ZINC000519155423 265342660 /nfs/dbraw/zinc/34/26/60/265342660.db2.gz DSTZUPMBJAUCLJ-RYUDHWBXSA-N 2 2 258.366 -1.295 20 30 CAEDLP C[NH+](C)C[C@H](CO)NC[C@@H](O)C[N@H+](C)CCC#N ZINC000519155424 265342966 /nfs/dbraw/zinc/34/29/66/265342966.db2.gz DSTZUPMBJAUCLJ-VXGBXAGGSA-N 2 2 258.366 -1.295 20 30 CAEDLP C[NH+](C)C[C@H](CO)NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000519155424 265342968 /nfs/dbraw/zinc/34/29/68/265342968.db2.gz DSTZUPMBJAUCLJ-VXGBXAGGSA-N 2 2 258.366 -1.295 20 30 CAEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953614 782042908 /nfs/dbraw/zinc/04/29/08/782042908.db2.gz GFFJAALUIVSUCM-ZIAGYGMSSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953614 782042917 /nfs/dbraw/zinc/04/29/17/782042917.db2.gz GFFJAALUIVSUCM-ZIAGYGMSSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197253745 782051587 /nfs/dbraw/zinc/05/15/87/782051587.db2.gz MZEPIVNVUABPIR-ZIAGYGMSSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197253745 782051599 /nfs/dbraw/zinc/05/15/99/782051599.db2.gz MZEPIVNVUABPIR-ZIAGYGMSSA-N 2 2 295.383 -1.108 20 30 CAEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198652721 782069213 /nfs/dbraw/zinc/06/92/13/782069213.db2.gz ACCDAZNKLMIIAT-MGPQQGTHSA-N 2 2 295.383 -1.251 20 30 CAEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198652721 782069220 /nfs/dbraw/zinc/06/92/20/782069220.db2.gz ACCDAZNKLMIIAT-MGPQQGTHSA-N 2 2 295.383 -1.251 20 30 CAEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198652721 782069230 /nfs/dbraw/zinc/06/92/30/782069230.db2.gz ACCDAZNKLMIIAT-MGPQQGTHSA-N 2 2 295.383 -1.251 20 30 CAEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198652721 782069239 /nfs/dbraw/zinc/06/92/39/782069239.db2.gz ACCDAZNKLMIIAT-MGPQQGTHSA-N 2 2 295.383 -1.251 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](CCO)CC2)CC1 ZINC000490780205 327658526 /nfs/dbraw/zinc/65/85/26/327658526.db2.gz GDUDJQSPROKPNV-UHFFFAOYSA-N 2 2 294.399 -1.626 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO)CC1 ZINC000490741445 332111877 /nfs/dbraw/zinc/11/18/77/332111877.db2.gz VAWDWSWFAIEBDP-ZIAGYGMSSA-N 2 2 297.399 -1.173 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)CC1 ZINC000490741445 332111879 /nfs/dbraw/zinc/11/18/79/332111879.db2.gz VAWDWSWFAIEBDP-ZIAGYGMSSA-N 2 2 297.399 -1.173 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000490741442 332111887 /nfs/dbraw/zinc/11/18/87/332111887.db2.gz VAWDWSWFAIEBDP-KBPBESRZSA-N 2 2 297.399 -1.173 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000490741442 332111888 /nfs/dbraw/zinc/11/18/88/332111888.db2.gz VAWDWSWFAIEBDP-KBPBESRZSA-N 2 2 297.399 -1.173 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)C[C@@H](C)O)CC1 ZINC000491278490 332180024 /nfs/dbraw/zinc/18/00/24/332180024.db2.gz UAKHOIDPGXYOFQ-CYBMUJFWSA-N 2 2 283.372 -1.561 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)C[C@@H](C)O)CC1 ZINC000491278490 332180025 /nfs/dbraw/zinc/18/00/25/332180025.db2.gz UAKHOIDPGXYOFQ-CYBMUJFWSA-N 2 2 283.372 -1.561 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@@H](O)CO)C(C)C)CC1 ZINC000491503953 332224461 /nfs/dbraw/zinc/22/44/61/332224461.db2.gz FPIYYJUCVISWNM-CQSZACIVSA-N 2 2 297.399 -1.173 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@@H](O)CO)C(C)C)CC1 ZINC000491503953 332224463 /nfs/dbraw/zinc/22/44/63/332224463.db2.gz FPIYYJUCVISWNM-CQSZACIVSA-N 2 2 297.399 -1.173 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C(=O)NCC[C@@H]2C)CC1 ZINC000491705166 332298195 /nfs/dbraw/zinc/29/81/95/332298195.db2.gz IQADDCANIIJTJS-GXTWGEPZSA-N 2 2 292.383 -1.122 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCOCCO)CC1 ZINC000491774265 332340254 /nfs/dbraw/zinc/34/02/54/332340254.db2.gz CIXYLLIIMIYVMW-UHFFFAOYSA-N 2 2 283.372 -1.296 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCOCCO)CC1 ZINC000491774265 332340255 /nfs/dbraw/zinc/34/02/55/332340255.db2.gz CIXYLLIIMIYVMW-UHFFFAOYSA-N 2 2 283.372 -1.296 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000491789022 332351436 /nfs/dbraw/zinc/35/14/36/332351436.db2.gz UECNGQXLEYCWDU-KBPBESRZSA-N 2 2 294.399 -1.630 20 30 CAEDLP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001274716907 782157572 /nfs/dbraw/zinc/15/75/72/782157572.db2.gz XHDOSHTYRJJDCS-VXGBXAGGSA-N 2 2 296.371 -1.839 20 30 CAEDLP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001274716907 782157578 /nfs/dbraw/zinc/15/75/78/782157578.db2.gz XHDOSHTYRJJDCS-VXGBXAGGSA-N 2 2 296.371 -1.839 20 30 CAEDLP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275105441 782165390 /nfs/dbraw/zinc/16/53/90/782165390.db2.gz UBHCHCMBHXAHFK-QWRGUYRKSA-N 2 2 297.359 -1.949 20 30 CAEDLP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275105441 782165399 /nfs/dbraw/zinc/16/53/99/782165399.db2.gz UBHCHCMBHXAHFK-QWRGUYRKSA-N 2 2 297.359 -1.949 20 30 CAEDLP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275105444 782166237 /nfs/dbraw/zinc/16/62/37/782166237.db2.gz UBHCHCMBHXAHFK-WDEREUQCSA-N 2 2 297.359 -1.949 20 30 CAEDLP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275105444 782166245 /nfs/dbraw/zinc/16/62/45/782166245.db2.gz UBHCHCMBHXAHFK-WDEREUQCSA-N 2 2 297.359 -1.949 20 30 CAEDLP C#CCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000491393750 545513229 /nfs/dbraw/zinc/51/32/29/545513229.db2.gz JROPCMTZSFYZRO-CQSZACIVSA-N 2 2 296.415 -1.334 20 30 CAEDLP C#CCNC(=O)C[NH+]1CCN(C[C@H](O)C[N@H+](C)CC)CC1 ZINC000491393750 545513234 /nfs/dbraw/zinc/51/32/34/545513234.db2.gz JROPCMTZSFYZRO-CQSZACIVSA-N 2 2 296.415 -1.334 20 30 CAEDLP C[NH+](CC#CC[N@@H+](C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000671242327 545554732 /nfs/dbraw/zinc/55/47/32/545554732.db2.gz DANXKHBIIYWIKJ-RYUDHWBXSA-N 2 2 278.356 -1.370 20 30 CAEDLP C[NH+](CC#CC[N@H+](C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000671242327 545554736 /nfs/dbraw/zinc/55/47/36/545554736.db2.gz DANXKHBIIYWIKJ-RYUDHWBXSA-N 2 2 278.356 -1.370 20 30 CAEDLP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000834485381 582124203 /nfs/dbraw/zinc/12/42/03/582124203.db2.gz VVDSWXNWAUMLNW-DTWKUNHWSA-N 2 2 251.290 -2.354 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2COC)CC1 ZINC000844401951 582216691 /nfs/dbraw/zinc/21/66/91/582216691.db2.gz MQDKHNZJHHCUFT-ZIAGYGMSSA-N 2 2 295.383 -1.155 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2COC)CC1 ZINC000844401951 582216693 /nfs/dbraw/zinc/21/66/93/582216693.db2.gz MQDKHNZJHHCUFT-ZIAGYGMSSA-N 2 2 295.383 -1.155 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC(=O)N(C)CC2)CC1 ZINC000852581247 582230307 /nfs/dbraw/zinc/23/03/07/582230307.db2.gz SVQSQADKQZPBKO-UHFFFAOYSA-N 2 2 292.383 -1.072 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC(=O)N(C)CC2)CC1 ZINC000852581247 582230308 /nfs/dbraw/zinc/23/03/08/582230308.db2.gz SVQSQADKQZPBKO-UHFFFAOYSA-N 2 2 292.383 -1.072 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC(CO)(CO)C2)CC1 ZINC000852630150 582230592 /nfs/dbraw/zinc/23/05/92/582230592.db2.gz QLUVAMGRTUPFNM-UHFFFAOYSA-N 2 2 295.383 -1.560 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC(CO)(CO)C2)CC1 ZINC000852630150 582230593 /nfs/dbraw/zinc/23/05/93/582230593.db2.gz QLUVAMGRTUPFNM-UHFFFAOYSA-N 2 2 295.383 -1.560 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000859958918 582242209 /nfs/dbraw/zinc/24/22/09/582242209.db2.gz PLKQNAZDGKEQEX-BETUJISGSA-N 2 2 292.383 -1.041 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000859958918 582242210 /nfs/dbraw/zinc/24/22/10/582242210.db2.gz PLKQNAZDGKEQEX-BETUJISGSA-N 2 2 292.383 -1.041 20 30 CAEDLP C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)N1CC[NH2+]CC1=O ZINC000876802534 582263224 /nfs/dbraw/zinc/26/32/24/582263224.db2.gz QAEPROOWKGBRFB-UTLUCORTSA-N 2 2 265.317 -1.966 20 30 CAEDLP C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)N1CC[NH2+]CC1=O ZINC000876802532 582263256 /nfs/dbraw/zinc/26/32/56/582263256.db2.gz QAEPROOWKGBRFB-KXUCPTDWSA-N 2 2 265.317 -1.966 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@]2(C)CO)CC1 ZINC000878982898 582267006 /nfs/dbraw/zinc/26/70/06/582267006.db2.gz GUEDQLTZUROORQ-HIFRSBDPSA-N 2 2 295.383 -1.419 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@]2(C)CO)CC1 ZINC000878982898 582267007 /nfs/dbraw/zinc/26/70/07/582267007.db2.gz GUEDQLTZUROORQ-HIFRSBDPSA-N 2 2 295.383 -1.419 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000879003407 582267079 /nfs/dbraw/zinc/26/70/79/582267079.db2.gz ZZEDBOJWTUBOOH-CQSZACIVSA-N 2 2 294.399 -1.628 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000879003407 582267080 /nfs/dbraw/zinc/26/70/80/582267080.db2.gz ZZEDBOJWTUBOOH-CQSZACIVSA-N 2 2 294.399 -1.628 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000880417573 582269525 /nfs/dbraw/zinc/26/95/25/582269525.db2.gz PRUPCQWUMYLSCQ-TZMCWYRMSA-N 2 2 263.341 -1.170 20 30 CAEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)CC1 ZINC000880417573 582269526 /nfs/dbraw/zinc/26/95/26/582269526.db2.gz PRUPCQWUMYLSCQ-TZMCWYRMSA-N 2 2 263.341 -1.170 20 30 CAEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCN1CC[NH2+]CC1 ZINC000884015620 582272804 /nfs/dbraw/zinc/27/28/04/582272804.db2.gz ZMWSMGRAUWRTTA-NSHDSACASA-N 2 2 284.360 -1.546 20 30 CAEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000958470426 613315397 /nfs/dbraw/zinc/31/53/97/613315397.db2.gz UTMPFPOHSZHRBO-QNWHQSFQSA-N 2 2 263.341 -1.003 20 30 CAEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000958470426 613315399 /nfs/dbraw/zinc/31/53/99/613315399.db2.gz UTMPFPOHSZHRBO-QNWHQSFQSA-N 2 2 263.341 -1.003 20 30 CAEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958470426 613315401 /nfs/dbraw/zinc/31/54/01/613315401.db2.gz UTMPFPOHSZHRBO-QNWHQSFQSA-N 2 2 263.341 -1.003 20 30 CAEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000958470426 613315403 /nfs/dbraw/zinc/31/54/03/613315403.db2.gz UTMPFPOHSZHRBO-QNWHQSFQSA-N 2 2 263.341 -1.003 20 30 CAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913178575 656274481 /nfs/dbraw/zinc/27/44/81/656274481.db2.gz IDXMLJLRWYFKOF-JSGCOSHPSA-N 2 2 281.356 -1.449 20 30 CAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC000913178575 656274486 /nfs/dbraw/zinc/27/44/86/656274486.db2.gz IDXMLJLRWYFKOF-JSGCOSHPSA-N 2 2 281.356 -1.449 20 30 CAEDLP C#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031593564 656377284 /nfs/dbraw/zinc/37/72/84/656377284.db2.gz DDZNICKTCZKZBD-GFCCVEGCSA-N 2 2 251.330 -1.002 20 30 CAEDLP C#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031593564 656377287 /nfs/dbraw/zinc/37/72/87/656377287.db2.gz DDZNICKTCZKZBD-GFCCVEGCSA-N 2 2 251.330 -1.002 20 30 CAEDLP O[C@H]1C[NH+](CC#CC[NH+]2C[C@H](O)[C@@H](O)C2)C[C@@H]1O ZINC000625713338 656703684 /nfs/dbraw/zinc/70/36/84/656703684.db2.gz ZVUNBFQAUJIKTK-BJDJZHNGSA-N 2 2 256.302 -2.935 20 30 CAEDLP CN(CCC#N)S(=O)(=O)N1CC[NH2+]CC[NH2+]CC1 ZINC000923690394 656815991 /nfs/dbraw/zinc/81/59/91/656815991.db2.gz JCDZNZJGMLLHQA-UHFFFAOYSA-N 2 2 275.378 -1.429 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047415082 782474319 /nfs/dbraw/zinc/47/43/19/782474319.db2.gz FPEFRMTVUKDVBQ-IHRRRGAJSA-N 2 2 295.383 -1.420 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047415082 782474325 /nfs/dbraw/zinc/47/43/25/782474325.db2.gz FPEFRMTVUKDVBQ-IHRRRGAJSA-N 2 2 295.383 -1.420 20 30 CAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047415082 782474331 /nfs/dbraw/zinc/47/43/31/782474331.db2.gz FPEFRMTVUKDVBQ-IHRRRGAJSA-N 2 2 295.383 -1.420 20 30 CAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCO)C[C@@H]1O ZINC001047415082 782474335 /nfs/dbraw/zinc/47/43/35/782474335.db2.gz FPEFRMTVUKDVBQ-IHRRRGAJSA-N 2 2 295.383 -1.420 20 30 CAEDLP C#CCOC[C@@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001251858487 780578732 /nfs/dbraw/zinc/57/87/32/780578732.db2.gz ZEYNWRQIKSIKPL-AWEZNQCLSA-N 2 2 267.373 -1.071 20 30 CAEDLP C#CCOC[C@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001251858488 780578745 /nfs/dbraw/zinc/57/87/45/780578745.db2.gz ZEYNWRQIKSIKPL-CQSZACIVSA-N 2 2 267.373 -1.071 20 30 CAEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001278214588 780515488 /nfs/dbraw/zinc/51/54/88/780515488.db2.gz WZALLAWXECTWGC-LLVKDONJSA-N 2 2 250.302 -1.027 20 30 CAEDLP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036998 782848404 /nfs/dbraw/zinc/84/84/04/782848404.db2.gz QZZXZHFVXRTWKX-UONOGXRCSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036998 782848410 /nfs/dbraw/zinc/84/84/10/782848410.db2.gz QZZXZHFVXRTWKX-UONOGXRCSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CC(N)=O)CC1 ZINC001266362408 775123663 /nfs/dbraw/zinc/12/36/63/775123663.db2.gz HERPEBDSYZIGDY-UHFFFAOYSA-N 2 2 280.372 -1.135 20 30 CAEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC(N)=O)CC1 ZINC001266362408 775123669 /nfs/dbraw/zinc/12/36/69/775123669.db2.gz HERPEBDSYZIGDY-UHFFFAOYSA-N 2 2 280.372 -1.135 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266721621 775166598 /nfs/dbraw/zinc/16/65/98/775166598.db2.gz YPLIMCNTSXDQBF-PHIMTYICSA-N 2 2 289.339 -1.062 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267021706 775195741 /nfs/dbraw/zinc/19/57/41/775195741.db2.gz SCEGEMUQQRHSFE-NSHDSACASA-N 2 2 289.339 -1.108 20 30 CAEDLP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001267230638 775217513 /nfs/dbraw/zinc/21/75/13/775217513.db2.gz WWNMYBFSLIXIMW-LLVKDONJSA-N 2 2 281.360 -1.374 20 30 CAEDLP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001267230638 775217522 /nfs/dbraw/zinc/21/75/22/775217522.db2.gz WWNMYBFSLIXIMW-LLVKDONJSA-N 2 2 281.360 -1.374 20 30 CAEDLP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NCC#N ZINC001267230638 775217533 /nfs/dbraw/zinc/21/75/33/775217533.db2.gz WWNMYBFSLIXIMW-LLVKDONJSA-N 2 2 281.360 -1.374 20 30 CAEDLP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NCC#N ZINC001267230638 775217538 /nfs/dbraw/zinc/21/75/38/775217538.db2.gz WWNMYBFSLIXIMW-LLVKDONJSA-N 2 2 281.360 -1.374 20 30 CAEDLP C#CC[NH2+]CC(=O)NCCCN1CC[NH+](C)CC1 ZINC000092493186 775356625 /nfs/dbraw/zinc/35/66/25/775356625.db2.gz DJHFKEKRGKQRRL-UHFFFAOYSA-N 2 2 252.362 -1.037 20 30 CAEDLP C#CC[NH2+]CC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000092493186 775356641 /nfs/dbraw/zinc/35/66/41/775356641.db2.gz DJHFKEKRGKQRRL-UHFFFAOYSA-N 2 2 252.362 -1.037 20 30 CAEDLP C#CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268326570 775402909 /nfs/dbraw/zinc/40/29/09/775402909.db2.gz XWGDPYXIIPTFAH-NSHDSACASA-N 2 2 293.327 -2.232 20 30 CAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001083368331 775450499 /nfs/dbraw/zinc/45/04/99/775450499.db2.gz KDTBWYMBBCIJMR-UTUOFQBUSA-N 2 2 251.330 -1.125 20 30 CAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001083368331 775450504 /nfs/dbraw/zinc/45/05/04/775450504.db2.gz KDTBWYMBBCIJMR-UTUOFQBUSA-N 2 2 251.330 -1.125 20 30 CAEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083368331 775450509 /nfs/dbraw/zinc/45/05/09/775450509.db2.gz KDTBWYMBBCIJMR-UTUOFQBUSA-N 2 2 251.330 -1.125 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083368331 775450515 /nfs/dbraw/zinc/45/05/15/775450515.db2.gz KDTBWYMBBCIJMR-UTUOFQBUSA-N 2 2 251.330 -1.125 20 30 CAEDLP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268667087 775464831 /nfs/dbraw/zinc/46/48/31/775464831.db2.gz HODWIXJKLKQPSM-SECBINFHSA-N 2 2 278.316 -1.314 20 30 CAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269092224 775489082 /nfs/dbraw/zinc/48/90/82/775489082.db2.gz TWLHHRIBDKEKNT-OLZOCXBDSA-N 2 2 292.383 -1.122 20 30 CAEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001269092224 775489088 /nfs/dbraw/zinc/48/90/88/775489088.db2.gz TWLHHRIBDKEKNT-OLZOCXBDSA-N 2 2 292.383 -1.122 20 30 CAEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001269092224 775489093 /nfs/dbraw/zinc/48/90/93/775489093.db2.gz TWLHHRIBDKEKNT-OLZOCXBDSA-N 2 2 292.383 -1.122 20 30 CAEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001269092224 775489095 /nfs/dbraw/zinc/48/90/95/775489095.db2.gz TWLHHRIBDKEKNT-OLZOCXBDSA-N 2 2 292.383 -1.122 20 30 CAEDLP N#CCNC(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437303 775519980 /nfs/dbraw/zinc/51/99/80/775519980.db2.gz YQKSHIHSEQONSL-UHFFFAOYSA-N 2 2 278.316 -1.312 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)C[C@@H]1O ZINC001083535633 775717199 /nfs/dbraw/zinc/71/71/99/775717199.db2.gz CBLBRHCCKGBUNE-RDBSUJKOSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)C[C@@H]1O ZINC001083535633 775717206 /nfs/dbraw/zinc/71/72/06/775717206.db2.gz CBLBRHCCKGBUNE-RDBSUJKOSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001083535633 775717218 /nfs/dbraw/zinc/71/72/18/775717218.db2.gz CBLBRHCCKGBUNE-RDBSUJKOSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)C[C@@H]1O ZINC001083535633 775717226 /nfs/dbraw/zinc/71/72/26/775717226.db2.gz CBLBRHCCKGBUNE-RDBSUJKOSA-N 2 2 295.383 -1.108 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001077159008 775800013 /nfs/dbraw/zinc/80/00/13/775800013.db2.gz JFPKICWSAZJXLI-HZSPNIEDSA-N 2 2 295.383 -1.372 20 30 CAEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001077159008 775800029 /nfs/dbraw/zinc/80/00/29/775800029.db2.gz JFPKICWSAZJXLI-HZSPNIEDSA-N 2 2 295.383 -1.372 20 30 CAEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001077159008 775800041 /nfs/dbraw/zinc/80/00/41/775800041.db2.gz JFPKICWSAZJXLI-HZSPNIEDSA-N 2 2 295.383 -1.372 20 30 CAEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@H]1O ZINC001077159008 775800050 /nfs/dbraw/zinc/80/00/50/775800050.db2.gz JFPKICWSAZJXLI-HZSPNIEDSA-N 2 2 295.383 -1.372 20 30 CAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725903 775950680 /nfs/dbraw/zinc/95/06/80/775950680.db2.gz SKOPIRFXKPYKFB-HZSPNIEDSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725903 775950690 /nfs/dbraw/zinc/95/06/90/775950690.db2.gz SKOPIRFXKPYKFB-HZSPNIEDSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725903 775950699 /nfs/dbraw/zinc/95/06/99/775950699.db2.gz SKOPIRFXKPYKFB-HZSPNIEDSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083725903 775950706 /nfs/dbraw/zinc/95/07/06/775950706.db2.gz SKOPIRFXKPYKFB-HZSPNIEDSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077565667 775996062 /nfs/dbraw/zinc/99/60/62/775996062.db2.gz SKOPIRFXKPYKFB-MGPQQGTHSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077565667 775996065 /nfs/dbraw/zinc/99/60/65/775996065.db2.gz SKOPIRFXKPYKFB-MGPQQGTHSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077565667 775996068 /nfs/dbraw/zinc/99/60/68/775996068.db2.gz SKOPIRFXKPYKFB-MGPQQGTHSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077565667 775996073 /nfs/dbraw/zinc/99/60/73/775996073.db2.gz SKOPIRFXKPYKFB-MGPQQGTHSA-N 2 2 295.383 -1.110 20 30 CAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078013005 776114320 /nfs/dbraw/zinc/11/43/20/776114320.db2.gz MVEFHSFDYNIXTA-VXGBXAGGSA-N 2 2 263.341 -1.123 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078013005 776114327 /nfs/dbraw/zinc/11/43/27/776114327.db2.gz MVEFHSFDYNIXTA-VXGBXAGGSA-N 2 2 263.341 -1.123 20 30 CAEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174612 776129682 /nfs/dbraw/zinc/12/96/82/776129682.db2.gz QIICCZJUSITTPV-QJPTWQEYSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001078174612 776129690 /nfs/dbraw/zinc/12/96/90/776129690.db2.gz QIICCZJUSITTPV-QJPTWQEYSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174612 776129692 /nfs/dbraw/zinc/12/96/92/776129692.db2.gz QIICCZJUSITTPV-QJPTWQEYSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001078174612 776129699 /nfs/dbraw/zinc/12/96/99/776129699.db2.gz QIICCZJUSITTPV-QJPTWQEYSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183169 776130575 /nfs/dbraw/zinc/13/05/75/776130575.db2.gz DHGSIZRRRLWRRB-VXGBXAGGSA-N 2 2 262.313 -1.014 20 30 CAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183169 776130583 /nfs/dbraw/zinc/13/05/83/776130583.db2.gz DHGSIZRRRLWRRB-VXGBXAGGSA-N 2 2 262.313 -1.014 20 30 CAEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174611 776131097 /nfs/dbraw/zinc/13/10/97/776131097.db2.gz QIICCZJUSITTPV-IJLUTSLNSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001078174611 776131102 /nfs/dbraw/zinc/13/11/02/776131102.db2.gz QIICCZJUSITTPV-IJLUTSLNSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174611 776131112 /nfs/dbraw/zinc/13/11/12/776131112.db2.gz QIICCZJUSITTPV-IJLUTSLNSA-N 2 2 251.330 -1.267 20 30 CAEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001078174611 776131119 /nfs/dbraw/zinc/13/11/19/776131119.db2.gz QIICCZJUSITTPV-IJLUTSLNSA-N 2 2 251.330 -1.267 20 30 CAEDLP N#CCNC(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128986358 776234483 /nfs/dbraw/zinc/23/44/83/776234483.db2.gz SXPXQCOBJOADDL-UHFFFAOYSA-N 2 2 278.316 -1.312 20 30 CAEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059339 776445490 /nfs/dbraw/zinc/44/54/90/776445490.db2.gz DHGSIZRRRLWRRB-NEPJUHHUSA-N 2 2 262.313 -1.014 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059339 776445495 /nfs/dbraw/zinc/44/54/95/776445495.db2.gz DHGSIZRRRLWRRB-NEPJUHHUSA-N 2 2 262.313 -1.014 20 30 CAEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036999 776500830 /nfs/dbraw/zinc/50/08/30/776500830.db2.gz QZZXZHFVXRTWKX-ZIAGYGMSSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036999 776500835 /nfs/dbraw/zinc/50/08/35/776500835.db2.gz QZZXZHFVXRTWKX-ZIAGYGMSSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#CCNC(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169203907 776521624 /nfs/dbraw/zinc/52/16/24/776521624.db2.gz DMJIYFRAPRCQHH-UHFFFAOYSA-N 2 2 277.328 -1.203 20 30 CAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079646 776714146 /nfs/dbraw/zinc/71/41/46/776714146.db2.gz GCEQAQYGLNWSGR-UHFFFAOYSA-N 2 2 277.328 -1.272 20 30 CAEDLP C=CCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406920 776813287 /nfs/dbraw/zinc/81/32/87/776813287.db2.gz IDKGSQLJNPLFFZ-UHFFFAOYSA-N 2 2 265.317 -1.040 20 30 CAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397409 776813698 /nfs/dbraw/zinc/81/36/98/776813698.db2.gz MTJGUODLYPVCON-UHFFFAOYSA-N 2 2 263.301 -1.593 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001283793776 777918101 /nfs/dbraw/zinc/91/81/01/777918101.db2.gz WTYZQSWRAXROKJ-NWDGAFQWSA-N 2 2 296.371 -2.103 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001283793776 777918108 /nfs/dbraw/zinc/91/81/08/777918108.db2.gz WTYZQSWRAXROKJ-NWDGAFQWSA-N 2 2 296.371 -2.103 20 30 CAEDLP N#CCNC(=O)C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001283827364 777922052 /nfs/dbraw/zinc/92/20/52/777922052.db2.gz LFTMRAUXIWHBHP-NSHDSACASA-N 2 2 297.359 -2.211 20 30 CAEDLP C=CC[NH+]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC1 ZINC001160437373 779960277 /nfs/dbraw/zinc/96/02/77/779960277.db2.gz UEAPCUKRCNWLNH-QWRGUYRKSA-N 2 2 284.360 -1.859 20 30 CAEDLP N#CCCN1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160482711 779962548 /nfs/dbraw/zinc/96/25/48/779962548.db2.gz KMRPLKMHDKUNIT-TZMCWYRMSA-N 2 2 277.372 -1.004 20 30 CAEDLP N#C[C@H]1CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001160878233 779985726 /nfs/dbraw/zinc/98/57/26/779985726.db2.gz HRKQEZRGRXIMPW-XNDJQWLSSA-N 2 2 250.302 -1.041 20 30 CAEDLP N#C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160932812 779987733 /nfs/dbraw/zinc/98/77/33/779987733.db2.gz FTBLIRLJCJTAJK-ZRUFSTJUSA-N 2 2 250.302 -1.313 20 30 CAEDLP N#C[C@H]1COCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160932811 779987795 /nfs/dbraw/zinc/98/77/95/779987795.db2.gz FTBLIRLJCJTAJK-XWLWVQCSSA-N 2 2 250.302 -1.313 20 30 CAEDLP N#C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160932304 779987921 /nfs/dbraw/zinc/98/79/21/779987921.db2.gz AVBQDQIWSFMRLJ-FOGDFJRCSA-N 2 2 250.302 -1.311 20 30 CAEDLP N#C[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160932306 779987927 /nfs/dbraw/zinc/98/79/27/779987927.db2.gz AVBQDQIWSFMRLJ-HOSYDEDBSA-N 2 2 250.302 -1.311 20 30 CAEDLP N#C[C@@H]1COCCN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160932303 779988015 /nfs/dbraw/zinc/98/80/15/779988015.db2.gz AVBQDQIWSFMRLJ-CKYFFXLPSA-N 2 2 250.302 -1.311 20 30 CAEDLP N#C[C@@H]1COCCN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160932308 779988102 /nfs/dbraw/zinc/98/81/02/779988102.db2.gz AVBQDQIWSFMRLJ-UMNHJUIQSA-N 2 2 250.302 -1.311 20 30 CAEDLP N#C[C@@H]1COCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160934267 779988243 /nfs/dbraw/zinc/98/82/43/779988243.db2.gz ZRMYQCLPONJPSY-BFLSOPEQSA-N 2 2 250.302 -1.041 20 30 CAEDLP COC(=O)C1(C#N)CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001161492649 780017371 /nfs/dbraw/zinc/01/73/71/780017371.db2.gz SZENVZKZIBOXND-ZJUUUORDSA-N 2 2 280.328 -1.019 20 30 CAEDLP N#Cc1[nH]cnc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218595489 780173855 /nfs/dbraw/zinc/17/38/55/780173855.db2.gz NIXVUIWSNSQXQG-VIFPVBQESA-N 2 2 277.332 -1.030 20 30 CAEDLP N#Cc1nc(N)c(NC(=O)C2([NH3+])CC[NH2+]CC2)nc1C#N ZINC001218596170 780175141 /nfs/dbraw/zinc/17/51/41/780175141.db2.gz WLRSYTCKFLOSQH-UHFFFAOYSA-N 2 2 286.299 -1.178 20 30 CAEDLP N#Cc1nc(N)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)nc1C#N ZINC001218596371 780175430 /nfs/dbraw/zinc/17/54/30/780175430.db2.gz YLKOZEXBYPYYGX-RITPCOANSA-N 2 2 272.272 -1.570 20 30 CAEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1nc(N)c(C#N)c1N ZINC001218659376 780180214 /nfs/dbraw/zinc/18/02/14/780180214.db2.gz HFAARSGXRYQWLR-QMMMGPOBSA-N 2 2 274.288 -1.137 20 30 CAEDLP C#C[C@](C)([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678627 780247069 /nfs/dbraw/zinc/24/70/69/780247069.db2.gz XGQXUGNSSQEBEB-NSHDSACASA-N 2 2 288.373 -2.312 20 30 CAEDLP COC(=O)[C@H](CS)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220035806 780296090 /nfs/dbraw/zinc/29/60/90/780296090.db2.gz GUMBTBGBGAFWJA-ZETCQYMHSA-N 2 2 261.347 -1.345 20 30 CAEDLP C#C[C@](C)([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001219765856 780258816 /nfs/dbraw/zinc/25/88/16/780258816.db2.gz FLQCRKCZYHVFDL-MDZLAQPJSA-N 2 2 250.346 -1.253 20 30 CAEDLP C#C[C@](C)([NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765856 780258819 /nfs/dbraw/zinc/25/88/19/780258819.db2.gz FLQCRKCZYHVFDL-MDZLAQPJSA-N 2 2 250.346 -1.253 20 30 CAEDLP C#C[C@](C)([NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765856 780258825 /nfs/dbraw/zinc/25/88/25/780258825.db2.gz FLQCRKCZYHVFDL-MDZLAQPJSA-N 2 2 250.346 -1.253 20 30 CAEDLP C=C(C)C(=O)NCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220043139 780296404 /nfs/dbraw/zinc/29/64/04/780296404.db2.gz GQWGSYGDLAKSIN-UWVGGRQHSA-N 2 2 254.334 -1.268 20 30 CAEDLP COC(=O)[C@H](CS)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220036885 780296669 /nfs/dbraw/zinc/29/66/69/780296669.db2.gz ZAGWUGQZIVKCHC-SFYZADRCSA-N 2 2 272.330 -1.133 20 30 CAEDLP CCOC(=O)[C@H](C#N)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220499396 780354302 /nfs/dbraw/zinc/35/43/02/780354302.db2.gz XTQDMCQWRNDUOZ-XBWDGYHZSA-N 2 2 266.301 -1.220 20 30 CAEDLP CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220498167 780354638 /nfs/dbraw/zinc/35/46/38/780354638.db2.gz COSHLXHEYLAZRK-VHSXEESVSA-N 2 2 279.300 -1.139 20 30 CAEDLP CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220499124 780355080 /nfs/dbraw/zinc/35/50/80/780355080.db2.gz RZYAFOWYINCPDF-AATLWQCWSA-N 2 2 266.301 -1.492 20 30 CAEDLP CCOC(=O)[C@H](C#N)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220498166 780355755 /nfs/dbraw/zinc/35/57/55/780355755.db2.gz COSHLXHEYLAZRK-UWVGGRQHSA-N 2 2 279.300 -1.139 20 30 CAEDLP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553361 780363907 /nfs/dbraw/zinc/36/39/07/780363907.db2.gz GFFJAALUIVSUCM-KGLIPLIRSA-N 2 2 295.383 -1.107 20 30 CAEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220553361 780363919 /nfs/dbraw/zinc/36/39/19/780363919.db2.gz GFFJAALUIVSUCM-KGLIPLIRSA-N 2 2 295.383 -1.107 20 30 CAEDLP C#C[C@](C)([NH3+])C(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001220772945 780381142 /nfs/dbraw/zinc/38/11/42/780381142.db2.gz WIIWLZPJAHFWQM-MFKMUULPSA-N 2 2 278.312 -1.029 20 30 CAEDLP C#C[C@](C)([NH3+])C(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001220772944 780381284 /nfs/dbraw/zinc/38/12/84/780381284.db2.gz WIIWLZPJAHFWQM-GWCFXTLKSA-N 2 2 278.312 -1.029 20 30 CAEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975896 780400826 /nfs/dbraw/zinc/40/08/26/780400826.db2.gz ACCDAZNKLMIIAT-MCIONIFRSA-N 2 2 295.383 -1.251 20 30 CAEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220975896 780400830 /nfs/dbraw/zinc/40/08/30/780400830.db2.gz ACCDAZNKLMIIAT-MCIONIFRSA-N 2 2 295.383 -1.251 20 30 CAEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220975896 780400831 /nfs/dbraw/zinc/40/08/31/780400831.db2.gz ACCDAZNKLMIIAT-MCIONIFRSA-N 2 2 295.383 -1.251 20 30 CAEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220975896 780400835 /nfs/dbraw/zinc/40/08/35/780400835.db2.gz ACCDAZNKLMIIAT-MCIONIFRSA-N 2 2 295.383 -1.251 20 30 CAEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986088 780400966 /nfs/dbraw/zinc/40/09/66/780400966.db2.gz RQEBELODDKZGNE-MCIONIFRSA-N 2 2 295.383 -1.251 20 30 CAEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220986088 780400969 /nfs/dbraw/zinc/40/09/69/780400969.db2.gz RQEBELODDKZGNE-MCIONIFRSA-N 2 2 295.383 -1.251 20 30 CAEDLP N#CCNC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001277208792 780447572 /nfs/dbraw/zinc/44/75/72/780447572.db2.gz IEAVZAIBWMPDAT-UHFFFAOYSA-N 2 2 290.327 -1.170 20 30 CAEDLP N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001265460833 780751218 /nfs/dbraw/zinc/75/12/18/780751218.db2.gz ANIFHOWRWLXRLH-NSHDSACASA-N 2 2 290.327 -1.287 20 30 CAEDLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC(=O)NCC#N ZINC001265852311 780761277 /nfs/dbraw/zinc/76/12/77/780761277.db2.gz ZQQVAFJDCXCBIV-JTQLQIEISA-N 2 2 292.343 -1.303 20 30 CAEDLP C#CCNC(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135756415 781383259 /nfs/dbraw/zinc/38/32/59/781383259.db2.gz ZQGJDDDOHWAGFR-UHFFFAOYSA-N 2 2 263.301 -1.593 20 30 CAEDLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001147900131 781524910 /nfs/dbraw/zinc/52/49/10/781524910.db2.gz ILLHYVOLUADMCX-UHFFFAOYSA-N 2 2 278.316 -1.692 20 30 CAEDLP C#CCNC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177401294 781619626 /nfs/dbraw/zinc/61/96/26/781619626.db2.gz UBJVQFVMFHZXEV-UHFFFAOYSA-N 2 2 277.328 -1.272 20 30 CAEDLP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185919050 781791618 /nfs/dbraw/zinc/79/16/18/781791618.db2.gz SNOGOTZNEWCSIX-LLVKDONJSA-N 2 2 289.339 -1.108 20 30 CAEDLP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576330 781807107 /nfs/dbraw/zinc/80/71/07/781807107.db2.gz QTQALJFZLJURLU-SNVBAGLBSA-N 2 2 290.327 -1.218 20 30 CAEDLP